@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL5016

@attribute molecule_id {CHEMBL187504,CHEMBL204948,CHEMBL205219,CHEMBL205326,CHEMBL274642,CHEMBL380864,CHEMBL383336,CHEMBL439687,CHEMBL535346,CHEMBL536933,CHEMBL539068,CHEMBL542998,CHEMBL545590,CHEMBL558583,CHEMBL63354,CHEMBL7568}
@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.004 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.008 numeric
@attribute C.013 numeric
@attribute C.016 numeric
@attribute C.017 numeric
@attribute C.019 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.028 numeric
@attribute C.039 numeric
@attribute C.040 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AP numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_PL numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_AP numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_PL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DD numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_PL numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DD numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_05_PL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_PL numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DD numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_PL numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_PL numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_LL numeric
@attribute CATS2D_09_PL numeric
@attribute CENT numeric
@attribute Chi0_AEA.bo. numeric
@attribute Chi0_AEA.dm. numeric
@attribute Chi0_AEA.ed. numeric
@attribute Chi0_AEA.ri. numeric
@attribute Chi0_EA numeric
@attribute Chi0_EA.bo. numeric
@attribute Chi0_EA.dm. numeric
@attribute Chi0_EA.ed. numeric
@attribute Chi0_EA.ri. numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute Chi1_EA.bo. numeric
@attribute Chi1_EA.dm. numeric
@attribute Chi1_EA.ed. numeric
@attribute Chi1_EA.ri. numeric
@attribute CIC0 numeric
@attribute CIC1 numeric
@attribute CIC2 numeric
@attribute CIC3 numeric
@attribute CIC4 numeric
@attribute CIC5 numeric
@attribute CID numeric
@attribute Cl.089 numeric
@attribute CMC.80 numeric
@attribute cRo5 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr10 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.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.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.ed. numeric
@attribute Eig06_EA.ri. numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig07_AEA.dm. numeric
@attribute Eig07_AEA.ed. numeric
@attribute Eig07_AEA.ri. numeric
@attribute Eig07_EA numeric
@attribute Eig07_EA.bo. numeric
@attribute Eig07_EA.ed. numeric
@attribute Eig07_EA.ri. numeric
@attribute Eig08_AEA.bo. numeric
@attribute Eig08_AEA.dm. numeric
@attribute Eig08_AEA.ed. numeric
@attribute Eig08_AEA.ri. numeric
@attribute Eig08_EA numeric
@attribute Eig08_EA.bo. numeric
@attribute Eig08_EA.ed. numeric
@attribute Eig08_EA.ri. numeric
@attribute Eig09_AEA.bo. numeric
@attribute Eig09_AEA.dm. numeric
@attribute Eig09_AEA.ed. numeric
@attribute Eig09_AEA.ri. numeric
@attribute Eig09_EA numeric
@attribute Eig09_EA.bo. numeric
@attribute Eig09_EA.ed. numeric
@attribute Eig09_EA.ri. numeric
@attribute Eig10_AEA.bo. numeric
@attribute Eig10_AEA.dm. numeric
@attribute Eig10_AEA.ed. numeric
@attribute Eig10_AEA.ri. numeric
@attribute Eig10_EA numeric
@attribute Eig10_EA.bo. numeric
@attribute Eig10_EA.ed. numeric
@attribute Eig10_EA.ri. numeric
@attribute Eig11_AEA.bo. numeric
@attribute Eig11_AEA.dm. numeric
@attribute Eig11_AEA.ed. numeric
@attribute Eig11_AEA.ri. numeric
@attribute Eig11_EA numeric
@attribute Eig11_EA.bo. numeric
@attribute Eig11_EA.ed. numeric
@attribute Eig11_EA.ri. numeric
@attribute Eig12_AEA.bo. numeric
@attribute Eig12_AEA.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.050 numeric
@attribute H.051 numeric
@attribute H.052 numeric
@attribute HDcpx numeric
@attribute HNar numeric
@attribute HVcpx numeric
@attribute Hy numeric
@attribute Hypnotic.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 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.068 numeric
@attribute N.070 numeric
@attribute N.071 numeric
@attribute N.074 numeric
@attribute N.075 numeric
@attribute NaaaC numeric
@attribute NaaCH numeric
@attribute NaaN numeric
@attribute NaasC numeric
@attribute nAB numeric
@attribute nArCO numeric
@attribute nArNHR 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 nCp numeric
@attribute nCq numeric
@attribute nCrs numeric
@attribute nCRX3 numeric
@attribute nCs numeric
@attribute nCsp2 numeric
@attribute nCsp3 numeric
@attribute nCt numeric
@attribute nDB numeric
@attribute NdO numeric
@attribute NdsCH numeric
@attribute NdsN numeric
@attribute NdssC numeric
@attribute Neoplastic.80 numeric
@attribute nF numeric
@attribute nH numeric
@attribute nHAcc numeric
@attribute nHDon numeric
@attribute nHet numeric
@attribute nHM numeric
@attribute nN numeric
@attribute nN.C.N. numeric
@attribute NNRS numeric
@attribute nO numeric
@attribute nPyridines numeric
@attribute nR05 numeric
@attribute nR06 numeric
@attribute nR10 numeric
@attribute nR.Cs numeric
@attribute nR.Ct numeric
@attribute nRNH2 numeric
@attribute nRNR2 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 nX numeric
@attribute O. numeric
@attribute O.057 numeric
@attribute O.058 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 Psi_i_t 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_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 SaasC numeric
@attribute SAdon numeric
@attribute SAtot numeric
@attribute SCBO numeric
@attribute SdO numeric
@attribute SdsCH numeric
@attribute SdsN numeric
@attribute SdssC numeric
@attribute Se numeric
@attribute Si numeric
@attribute SIC0 numeric
@attribute SIC1 numeric
@attribute SIC2 numeric
@attribute SIC3 numeric
@attribute SIC4 numeric
@attribute SIC5 numeric
@attribute SM02_AEA.bo. numeric
@attribute SM02_AEA.dm. numeric
@attribute SM02_AEA.ed. numeric
@attribute SM02_AEA.ri. numeric
@attribute SM02_EA numeric
@attribute SM02_EA.bo. numeric
@attribute SM02_EA.dm. numeric
@attribute SM02_EA.ed. numeric
@attribute SM02_EA.ri. numeric
@attribute SM03_AEA.bo. numeric
@attribute SM03_AEA.dm. numeric
@attribute SM03_AEA.ed. numeric
@attribute SM03_AEA.ri. numeric
@attribute SM03_EA numeric
@attribute SM03_EA.bo. numeric
@attribute SM03_EA.dm. numeric
@attribute SM03_EA.ed. numeric
@attribute SM03_EA.ri. numeric
@attribute SM04_AEA.bo. numeric
@attribute SM04_AEA.dm. numeric
@attribute SM04_AEA.ed. numeric
@attribute SM04_AEA.ri. numeric
@attribute SM04_EA numeric
@attribute SM04_EA.bo. numeric
@attribute SM04_EA.dm. numeric
@attribute SM04_EA.ed. numeric
@attribute SM04_EA.ri. numeric
@attribute SM05_AEA.bo. numeric
@attribute SM05_AEA.dm. numeric
@attribute SM05_AEA.ed. numeric
@attribute SM05_AEA.ri. numeric
@attribute SM05_EA numeric
@attribute SM05_EA.bo. numeric
@attribute SM05_EA.dm. numeric
@attribute SM05_EA.ed. numeric
@attribute SM05_EA.ri. numeric
@attribute SM06_AEA.bo. numeric
@attribute SM06_AEA.dm. numeric
@attribute SM06_AEA.ed. numeric
@attribute SM06_AEA.ri. numeric
@attribute SM06_EA numeric
@attribute SM06_EA.bo. numeric
@attribute SM06_EA.dm. numeric
@attribute SM06_EA.ed. numeric
@attribute SM06_EA.ri. numeric
@attribute SM07_AEA.bo. numeric
@attribute SM07_AEA.dm. numeric
@attribute SM07_AEA.ed. numeric
@attribute SM07_AEA.ri. numeric
@attribute SM07_EA numeric
@attribute SM07_EA.bo. numeric
@attribute SM07_EA.dm. numeric
@attribute SM07_EA.ed. numeric
@attribute SM07_EA.ri. numeric
@attribute SM08_AEA.bo. numeric
@attribute SM08_AEA.dm. numeric
@attribute SM08_AEA.ed. numeric
@attribute SM08_AEA.ri. numeric
@attribute SM08_EA numeric
@attribute SM08_EA.bo. numeric
@attribute SM08_EA.dm. numeric
@attribute SM08_EA.ed. numeric
@attribute SM08_EA.ri. numeric
@attribute SM09_AEA.bo. numeric
@attribute SM09_AEA.dm. numeric
@attribute SM09_AEA.ed. numeric
@attribute SM09_AEA.ri. numeric
@attribute SM09_EA numeric
@attribute SM09_EA.bo. numeric
@attribute SM09_EA.dm. numeric
@attribute SM09_EA.ed. numeric
@attribute SM09_EA.ri. numeric
@attribute SM10_AEA.bo. numeric
@attribute SM10_AEA.dm. numeric
@attribute SM10_AEA.ed. numeric
@attribute SM10_AEA.ri. numeric
@attribute SM10_EA numeric
@attribute SM10_EA.bo. numeric
@attribute SM10_EA.dm. numeric
@attribute SM10_EA.ed. numeric
@attribute SM10_EA.ri. numeric
@attribute SM11_AEA.bo. numeric
@attribute SM11_AEA.dm. numeric
@attribute SM11_AEA.ed. numeric
@attribute SM11_AEA.ri. numeric
@attribute SM11_EA numeric
@attribute SM11_EA.bo. numeric
@attribute SM11_EA.dm. numeric
@attribute SM11_EA.ed. numeric
@attribute SM11_EA.ri. numeric
@attribute SM12_AEA.bo. numeric
@attribute SM12_AEA.dm. numeric
@attribute SM12_AEA.ed. numeric
@attribute SM12_AEA.ri. numeric
@attribute SM12_EA numeric
@attribute SM12_EA.bo. numeric
@attribute SM12_EA.dm. numeric
@attribute SM12_EA.ed. numeric
@attribute SM12_EA.ri. numeric
@attribute SM13_AEA.bo. numeric
@attribute SM13_AEA.dm. numeric
@attribute SM13_AEA.ed. numeric
@attribute SM13_AEA.ri. numeric
@attribute SM13_EA numeric
@attribute SM13_EA.bo. numeric
@attribute SM13_EA.dm. numeric
@attribute SM13_EA.ed. numeric
@attribute SM13_EA.ri. numeric
@attribute SM14_AEA.bo. numeric
@attribute SM14_AEA.dm. numeric
@attribute SM14_AEA.ed. numeric
@attribute SM14_AEA.ri. numeric
@attribute SM14_EA numeric
@attribute SM14_EA.bo. numeric
@attribute SM14_EA.dm. numeric
@attribute SM14_EA.ed. numeric
@attribute SM14_EA.ri. numeric
@attribute SM15_AEA.bo. numeric
@attribute SM15_AEA.dm. numeric
@attribute SM15_AEA.ed. numeric
@attribute SM15_AEA.ri. numeric
@attribute SM15_EA numeric
@attribute SM15_EA.bo. numeric
@attribute SM15_EA.dm. numeric
@attribute SM15_EA.ed. numeric
@attribute SM15_EA.ri. numeric
@attribute SMTI numeric
@attribute SMTIV numeric
@attribute SNar numeric
@attribute Sp numeric
@attribute SpAD_AEA.bo. numeric
@attribute SpAD_AEA.dm. numeric
@attribute SpAD_AEA.ed. numeric
@attribute SpAD_AEA.ri. numeric
@attribute SpAD_EA numeric
@attribute SpAD_EA.bo. numeric
@attribute SpAD_EA.dm. numeric
@attribute SpAD_EA.ed. numeric
@attribute SpAD_EA.ri. numeric
@attribute SpDiam_AEA.bo. numeric
@attribute SpDiam_AEA.dm. numeric
@attribute SpDiam_AEA.ed. numeric
@attribute SpDiam_AEA.ri. numeric
@attribute SpDiam_EA numeric
@attribute SpDiam_EA.bo. numeric
@attribute SpDiam_EA.dm. numeric
@attribute SpDiam_EA.ed. numeric
@attribute SpDiam_EA.ri. numeric
@attribute SPI numeric
@attribute SpMAD_AEA.bo. numeric
@attribute SpMAD_AEA.dm. numeric
@attribute SpMAD_AEA.ed. numeric
@attribute SpMAD_AEA.ri. numeric
@attribute SpMAD_EA numeric
@attribute SpMAD_EA.bo. numeric
@attribute SpMAD_EA.dm. numeric
@attribute SpMAD_EA.ed. numeric
@attribute SpMAD_EA.ri. numeric
@attribute SpMax1_Bh.e. numeric
@attribute SpMax1_Bh.i. numeric
@attribute SpMax1_Bh.m. numeric
@attribute SpMax1_Bh.p. numeric
@attribute SpMax1_Bh.s. numeric
@attribute SpMax1_Bh.v. numeric
@attribute SpMax2_Bh.e. numeric
@attribute SpMax2_Bh.i. numeric
@attribute SpMax2_Bh.m. numeric
@attribute SpMax2_Bh.p. numeric
@attribute SpMax2_Bh.s. numeric
@attribute SpMax2_Bh.v. numeric
@attribute SpMax3_Bh.e. numeric
@attribute SpMax3_Bh.i. numeric
@attribute SpMax3_Bh.m. numeric
@attribute SpMax3_Bh.p. numeric
@attribute SpMax3_Bh.s. numeric
@attribute SpMax3_Bh.v. numeric
@attribute SpMax4_Bh.e. numeric
@attribute SpMax4_Bh.i. numeric
@attribute SpMax4_Bh.m. numeric
@attribute SpMax4_Bh.p. numeric
@attribute SpMax4_Bh.s. numeric
@attribute SpMax4_Bh.v. numeric
@attribute SpMax5_Bh.e. numeric
@attribute SpMax5_Bh.i. numeric
@attribute SpMax5_Bh.m. numeric
@attribute SpMax5_Bh.p. numeric
@attribute SpMax5_Bh.s. numeric
@attribute SpMax5_Bh.v. numeric
@attribute SpMax6_Bh.e. numeric
@attribute SpMax6_Bh.i. numeric
@attribute SpMax6_Bh.m. numeric
@attribute SpMax6_Bh.p. numeric
@attribute SpMax6_Bh.s. numeric
@attribute SpMax6_Bh.v. numeric
@attribute SpMax7_Bh.e. numeric
@attribute SpMax7_Bh.i. numeric
@attribute SpMax7_Bh.m. numeric
@attribute SpMax7_Bh.p. numeric
@attribute SpMax7_Bh.s. numeric
@attribute SpMax7_Bh.v. numeric
@attribute SpMax8_Bh.e. numeric
@attribute SpMax8_Bh.i. numeric
@attribute SpMax8_Bh.m. numeric
@attribute SpMax8_Bh.p. numeric
@attribute SpMax8_Bh.s. numeric
@attribute SpMax8_Bh.v. numeric
@attribute SpMaxA_AEA.bo. numeric
@attribute SpMaxA_AEA.dm. numeric
@attribute SpMaxA_AEA.ed. numeric
@attribute SpMaxA_AEA.ri. numeric
@attribute SpMaxA_EA numeric
@attribute SpMax_AEA.bo. numeric
@attribute SpMaxA_EA.bo. numeric
@attribute SpMax_AEA.dm. numeric
@attribute SpMaxA_EA.dm. numeric
@attribute SpMax_AEA.ed. numeric
@attribute SpMaxA_EA.ed. numeric
@attribute SpMax_AEA.ri. numeric
@attribute SpMaxA_EA.ri. numeric
@attribute SpMax_EA numeric
@attribute SpMax_EA.bo. numeric
@attribute SpMax_EA.dm. numeric
@attribute SpMax_EA.ed. numeric
@attribute SpMax_EA.ri. numeric
@attribute SpMin1_Bh.e. numeric
@attribute SpMin1_Bh.i. numeric
@attribute SpMin1_Bh.m. numeric
@attribute SpMin1_Bh.p. numeric
@attribute SpMin1_Bh.s. numeric
@attribute SpMin1_Bh.v. numeric
@attribute SpMin2_Bh.e. numeric
@attribute SpMin2_Bh.i. numeric
@attribute SpMin2_Bh.m. numeric
@attribute SpMin2_Bh.p. numeric
@attribute SpMin2_Bh.s. numeric
@attribute SpMin2_Bh.v. numeric
@attribute SpMin3_Bh.e. numeric
@attribute SpMin3_Bh.i. numeric
@attribute SpMin3_Bh.m. numeric
@attribute SpMin3_Bh.p. numeric
@attribute SpMin3_Bh.s. numeric
@attribute SpMin3_Bh.v. numeric
@attribute SpMin4_Bh.e. numeric
@attribute SpMin4_Bh.i. numeric
@attribute SpMin4_Bh.m. numeric
@attribute SpMin4_Bh.p. numeric
@attribute SpMin4_Bh.s. numeric
@attribute SpMin4_Bh.v. numeric
@attribute SpMin5_Bh.e. numeric
@attribute SpMin5_Bh.i. numeric
@attribute SpMin5_Bh.m. numeric
@attribute SpMin5_Bh.p. numeric
@attribute SpMin5_Bh.s. numeric
@attribute SpMin5_Bh.v. numeric
@attribute SpMin6_Bh.e. numeric
@attribute SpMin6_Bh.i. numeric
@attribute SpMin6_Bh.m. numeric
@attribute SpMin6_Bh.p. numeric
@attribute SpMin6_Bh.s. numeric
@attribute SpMin6_Bh.v. numeric
@attribute SpMin7_Bh.e. numeric
@attribute SpMin7_Bh.i. numeric
@attribute SpMin7_Bh.m. numeric
@attribute SpMin7_Bh.p. numeric
@attribute SpMin7_Bh.s. numeric
@attribute SpMin7_Bh.v. numeric
@attribute SpMin8_Bh.e. numeric
@attribute SpMin8_Bh.i. numeric
@attribute SpMin8_Bh.m. numeric
@attribute SpMin8_Bh.p. numeric
@attribute SpMin8_Bh.s. numeric
@attribute SpMin8_Bh.v. numeric
@attribute SRW02 numeric
@attribute SRW04 numeric
@attribute SRW05 numeric
@attribute SRW06 numeric
@attribute SRW07 numeric
@attribute SRW08 numeric
@attribute SRW09 numeric
@attribute SRW10 numeric
@attribute SsCH3 numeric
@attribute SsCl numeric
@attribute SsF numeric
@attribute SsNH2 numeric
@attribute SsOH numeric
@attribute SssCH2 numeric
@attribute SssNH numeric
@attribute SssO numeric
@attribute SssS numeric
@attribute SsssCH numeric
@attribute SsssN numeric
@attribute SssssC numeric
@attribute Sv numeric
@attribute TIC0 numeric
@attribute TIC1 numeric
@attribute TIC2 numeric
@attribute TIC3 numeric
@attribute TIC4 numeric
@attribute TIC5 numeric
@attribute TIE numeric
@attribute TPC numeric
@attribute TPSA.NO. numeric
@attribute TPSA.Tot. numeric
@attribute TRS numeric
@attribute TWC numeric
@attribute Uc numeric
@attribute Ui numeric
@attribute Uindex numeric
@attribute UNIP numeric
@attribute VAR numeric
@attribute Vindex numeric
@attribute VvdwMG numeric
@attribute VvdwZAZ numeric
@attribute Vx numeric
@attribute Wap numeric
@attribute X. numeric
@attribute X0 numeric
@attribute X0A numeric
@attribute X0Av numeric
@attribute X0sol numeric
@attribute X0v numeric
@attribute X1 numeric
@attribute X1A numeric
@attribute X1Av numeric
@attribute X1Kup numeric
@attribute X1Mad numeric
@attribute X1MulPer numeric
@attribute X1Per numeric
@attribute X1sol numeric
@attribute X1v numeric
@attribute X2 numeric
@attribute X2A numeric
@attribute X2Av numeric
@attribute X2sol numeric
@attribute X2v numeric
@attribute X3 numeric
@attribute X3A numeric
@attribute X3Av numeric
@attribute X3sol numeric
@attribute X3v numeric
@attribute X4 numeric
@attribute X4A numeric
@attribute X4Av numeric
@attribute X4sol numeric
@attribute X4v numeric
@attribute X5 numeric
@attribute X5A numeric
@attribute X5Av numeric
@attribute X5sol numeric
@attribute X5v numeric
@attribute Xindex numeric
@attribute XMOD numeric
@attribute Xt numeric
@attribute Xu numeric
@attribute Yindex numeric
@attribute ZM1 numeric
@attribute ZM1Kup numeric
@attribute ZM1Mad numeric
@attribute ZM1MulPer numeric
@attribute ZM1Per numeric
@attribute ZM1V numeric
@attribute ZM2 numeric
@attribute ZM2Kup numeric
@attribute ZM2Mad numeric
@attribute ZM2MulPer numeric
@attribute ZM2Per numeric
@attribute ZM2V numeric
@attribute pXC50 numeric

@data
{1 1.453,2 15.175,3 4.666,4 21.773,5 142.746,6 9.284,7 0.533,8 4.23,9 4.273,10 3.951,11 3.8,12 5.595,13 3.843,14 4.661,15 4.708,16 4.373,17 4.184,18 6.062,19 4.23,20 4.981,21 5.058,22 4.506,23 4.307,24 6.385,25 4.359,26 5.028,27 5.126,28 4.506,29 4.261,30 6.649,31 4.299,32 4.959,33 5.083,34 4.268,35 4.224,36 6.304,37 4.224,38 4.867,39 5.004,40 4.241,41 4.166,42 6.313,43 4.154,44 4.81,45 4.939,46 4.15,47 4.081,48 6.167,49 4.079,50 4.763,51 4.898,52 4.092,53 3.977,54 6.171,55 3.984,56 0.379,57 0.664,58 7.257,59 5.258,60 49.012,61 4.17,62 0.463,63 1.033,64 10.259,65 8.244,66 46.079,67 7.168,68 1.12,69 1.418,70 20.277,71 11.247,72 129.515,73 8.936,74 1.708,75 1.494,76 24.797,77 12.004,78 187.312,79 11.376,80 1.258,81 1.429,82 24.715,83 11.584,84 148.373,85 10.223,86 1.078,87 1.326,88 22.169,89 10.97,90 142.368,91 11.703,92 0.935,93 1.241,94 20.438,95 10.172,96 117.565,97 9.905,98 0.991,99 1.181,100 20.588,101 9.679,102 120.305,103 9.555,104 50,105 67,106 0.231,107 0.495,108 0.654,109 0.755,110 0.807,111 0.825,112 3.717,113 0.785,114 -1.94,115 -1.99,116 -1.99,117 51.7,126 2,128 2,129 11,130 4,131 9,133 2,139 7,140 15,143 9,144 16,146 8,148 1,149 2,150 7,152 2,153 13,154 6,155 2,156 7,157 13,159 1,160 5,163 2,164 14,166 1,167 4,168 3,169 9,170 15,172 1,173 4,176 9,177 10,179 1,180 5,181 1,182 8,183 7,186 6,187 3,188 1,189 7,191 3152,192 26.582,193 26.582,194 26.582,195 26.582,196 26.582,197 22.951,198 31.381,199 15.074,200 27.032,201 22.21,202 22.21,203 22.21,204 22.21,205 22.21,206 16.535,207 41.197,208 7.193,209 23.049,210 4.405,211 2.736,212 1.738,213 1.101,214 0.772,215 0.655,216 4.428,219 1,220 1348,221 3.082,223 713.009,224 388.342,225 2.425,226 75.483,228 0.75,229 0.5,230 0.83,231 0.3,233 0.67,234 0.5,235 0.51,236 90,237 607,238 4.557,239 3.643,240 6.759,241 4.178,242 3.201,243 4.226,244 0.86,245 11.008,246 3.13,247 4.553,248 3.642,249 6.759,250 4.174,251 3.197,252 4.222,253 0.86,254 11.005,255 3.128,256 4.314,257 3.239,258 6.243,259 3.903,260 2.943,261 3.969,262 0.86,263 9.396,264 2.826,265 4.176,266 3.032,267 6.128,268 3.765,269 2.786,270 3.773,271 8.999,272 2.723,273 3.943,274 2.993,275 5.934,276 3.531,277 2.586,278 3.359,279 8.341,280 2.432,281 3.754,282 2.899,283 5.29,284 3.313,285 2.342,286 3.181,287 6.738,288 2.273,289 3.626,290 2.852,291 5.241,292 3.247,293 2.263,294 2.961,295 6.464,296 2.214,297 3.582,298 2.6,299 5.24,300 3.192,301 2.229,302 2.906,303 6.457,304 2.127,305 3.284,306 2.313,307 5.056,308 2.881,309 1.948,310 2.538,311 5.816,312 1.802,313 3.274,314 2.303,315 5.048,316 2.868,317 1.933,318 2.526,319 5.788,320 1.794,321 3.131,322 2.26,323 4.674,324 2.693,325 1.708,326 2.292,327 4.77,328 1.661,329 3.118,330 2.238,331 4.672,332 2.687,333 1.702,334 2.27,336 4.746,337 1.655,338 2.868,339 1.762,340 4.309,341 2.416,342 1.463,343 1.982,345 3.922,346 1.384,347 2.763,348 1.555,349 4.288,350 2.244,351 1.294,352 1.762,354 3.732,355 1.216,356 2.733,357 1.472,358 4.134,359 2.22,360 1.261,361 1.745,363 3.548,364 1.198,365 18.333,366 0.458,367 1.274,368 0.032,369 59.75,370 1.494,371 34,372 0.85,373 25.75,374 0.644,375 29.28,376 0.732,377 41.067,378 0.708,379 55.08,380 1.377,381 12.109,382 0.303,383 7.047,384 0.176,385 0.127,387 0.464,390 0.942,391 0.814,392 0.689,393 0.784,394 0.91,395 0.677,396 0.803,397 1.147,398 0.635,399 1.113,400 0.615,401 0.902,402 1.225,403 1.075,404 1.013,405 1.051,406 1.056,407 0.975,408 0.811,409 0.998,410 0.899,411 1.004,412 0.671,413 0.995,414 1.185,415 0.909,416 1.221,417 0.922,418 1.179,419 1.034,420 0.668,421 1.006,422 0.901,423 1.028,424 0.767,425 1.054,426 0.964,427 1.077,428 1.068,429 1.088,430 0.997,431 1.112,432 0.977,433 1.083,434 1.047,435 1.089,436 0.849,437 1.095,438 10,439 0.293,440 4.889,441 3.938,442 3.293,443 1.764,444 1.092,445 0.733,446 0.463,447 0.431,448 29537,449 101933,450 2.105,451 31,453 13,454 5,457 1.795,458 1.935,459 3.865,460 2.16,462 84.278,463 1.453,464 3.122,465 4.12,466 4.757,467 5.086,468 5.203,469 3.259,470 5.072,471 5.297,472 4.103,473 3200.64,474 9.319,475 56805.8,477 339.763,478 1.493,479 5.238,480 0.222,481 0.007,482 0.073,483 0.054,484 0.048,485 0.031,486 0.02,487 0.015,488 0.01,489 0.01,490 0.49,491 0.17,492 0.63,493 0.573,494 228.1,495 -0.166,496 0.146,497 -0.046,498 0.153,499 -0.204,500 0.121,501 -0.064,502 -0.192,503 0.025,504 -0.176,505 0.001,506 -0.082,507 -0.203,508 -0.101,509 -0.152,510 -0.097,511 -0.182,512 -0.1,513 0.257,514 -0.014,515 0.076,516 -0.03,517 0.268,518 -0.048,519 -0.211,520 0.076,521 -0.23,522 0.065,523 -0.216,524 -0.04,525 0.14,526 -0.027,527 0.085,528 -0.03,529 0.114,530 -0.007,531 -0.086,532 -0.098,533 -0.086,534 -0.098,535 -0.102,536 -0.094,537 -0.034,538 -0.099,539 -0.016,540 -0.095,541 0.001,542 -0.063,543 2.189,544 5.589,545 0.8,546 49.08,547 1.038,548 1.101,549 0.705,550 0.497,551 0.714,552 3.829,553 4.22,554 4.522,555 4.844,556 5.1,557 5.257,558 5.352,559 5.533,560 5.677,561 5.781,562 9.2,563 0.722,564 538.48,565 3.829,566 5.416,567 6.293,568 7.204,569 8.092,570 9.005,571 9.896,572 10.809,573 11.703,574 12.616,583 11,585 13,586 24,587 2,589 5,590 3,592 58,593 28,594 4,595 45,596 63,597 30,598 24,599 13,600 11,601 6,602 6,603 8,610 30,613 4,614 2,615 2,617 4,620 18,621 10,622 5,623 10,627 0.667,628 10,631 6,632 2,633 4,637 4,643 40,645 5,648 3,654 17.2,655 5,656 2,657 3,658 20.667,659 10.417,660 8.417,661 3.146,662 5.515,663 1.59,664 0.949,665 6.325,666 14.861,667 4.127,668 4.796,669 5.403,670 6.005,671 6.556,672 6.896,673 7.218,674 7.679,675 8.091,676 8.454,677 0.9,678 73,679 14.9,680 6.887,681 8.221,682 26.761,683 22.505,684 2.721,685 108.833,688 153.024,689 177.661,692 296.706,695 177.661,696 449.731,700 123.191,701 284.46,702 66.716,704 153.024,706 153.024,707 177.661,708 296.706,710 153.024,711 296.706,713 148.222,714 29.439,716 153.024,717 296.706,718 177.661,719 153.024,720 54.47,721 123.191,723 296.706,724 153.024,725 296.706,726 177.661,727 0.602,728 0.355,729 0.199,730 0.108,731 35,732 17,733 0.063,734 4,735 2,736 1.125,737 4.9,738 416.782,739 0.125,740 32,741 208.877,743 25.668,744 9.857,745 4.843,747 296.706,748 15.247,750 -0.366,751 213.417,752 627.392,753 61,754 25.109,755 2.405,757 -0.694,758 60.225,759 63.831,760 0.248,761 0.533,762 0.703,763 0.812,764 0.868,765 0.888,766 5.403,767 2.229,768 6.315,769 6.464,770 4.905,771 5.485,772 1.693,773 7.174,774 4.833,775 6.654,776 1.948,777 7.907,778 6.457,779 4.635,780 5.414,782 8.125,783 4.524,784 7.991,785 1.933,786 9.59,787 5.816,788 6.555,789 7.724,790 1.454,791 11.243,792 6.426,793 9.358,794 1.708,795 11.327,796 5.788,797 7.031,798 8.387,800 12.99,801 6.87,802 10.749,803 1.702,804 13.097,805 4.77,806 8.472,807 10.215,808 1.232,809 15.638,810 8.294,811 12.16,812 1.463,813 14.891,814 4.746,815 9.3,816 11.239,818 17.741,819 9.095,820 13.587,821 1.294,822 16.704,823 3.922,824 10.552,825 12.856,826 1.028,827 20.216,828 10.33,829 3.201,830 1.261,831 18.531,832 3.732,833 11.548,834 14.069,836 22.478,837 11.301,838 3.197,839 11.008,840 20.371,841 3.548,842 12.728,843 15.585,844 0.845,845 24.891,846 12.462,847 2.943,848 11.005,849 22.22,850 4.226,851 13.803,852 16.897,854 27.222,855 13.514,856 2.786,857 9.396,858 24.077,859 4.222,860 14.955,861 18.366,862 0.684,863 29.615,864 14.648,865 2.586,866 8.999,867 25.941,868 3.969,869 16.068,870 19.73,872 31.978,873 15.738,874 2.342,875 8.341,876 27.811,877 3.773,878 17.214,879 21.176,880 0.546,881 34.367,882 16.864,883 2.263,884 6.738,885 29.686,886 3.359,887 18.345,888 22.569,890 36.745,891 17.974,892 27122,893 50571,894 29.767,895 41.398,896 69.524,897 71.889,898 71.377,899 68.395,900 68.29,901 91.124,902 5.16,903 207.463,904 65.651,905 5.421,906 5.643,907 6.173,908 5.283,909 5.201,910 7.226,911 1.72,912 17.988,913 5.13,914 23.586,915 1.545,916 1.598,917 1.586,918 1.52,919 1.518,920 2.025,921 0.115,922 4.61,923 1.459,924 4.061,925 4.064,926 4.03,927 3.971,928 7.43,929 3.983,930 3.993,931 3.993,932 3.967,933 3.906,934 7.426,935 3.918,936 3.895,937 3.902,938 3.857,939 3.812,940 6.498,941 3.82,942 3.817,943 3.835,944 3.767,945 3.761,946 6.487,947 3.76,948 3.477,949 3.481,950 3.431,951 3.342,952 6.469,953 3.36,954 3.442,955 3.45,956 3.39,957 3.31,958 6.445,959 3.325,960 3.08,961 3.071,962 3.042,963 2.881,964 6.445,965 2.916,966 3.05,967 3.048,968 2.999,969 2.844,970 4.929,971 2.875,972 0.101,973 0.081,974 0.15,975 0.093,976 0.071,977 4.557,978 0.094,979 3.643,980 0.019,981 6.759,982 0.245,983 4.178,984 0.07,985 3.201,986 4.226,987 0.86,988 11.008,989 3.13,990 1.972,991 1.966,992 2.041,993 2.076,994 1.148,995 2.061,996 1.948,997 1.944,998 2.008,999 2.053,1000 1.125,1001 2.035,1002 1.859,1003 1.851,1004 1.931,1005 1.965,1006 1.04,1007 1.952,1008 1.81,1009 1.794,1010 1.897,1011 1.89,1012 1.014,1013 1.894,1014 1.41,1015 1.4,1016 1.517,1017 1.576,1018 0.572,1019 1.551,1020 1.382,1021 1.369,1022 1.499,1023 1.547,1024 0.546,1025 1.526,1026 0.957,1027 0.956,1028 1.181,1029 1.217,1030 0.218,1031 1.165,1032 0.933,1033 0.925,1034 1.13,1035 1.205,1036 0.179,1037 1.157,1038 4.511,1039 5.883,1041 7.448,1043 9.107,1045 10.813,1050 49.847,1053 17.285,1058 41.889,1059 84.278,1060 181.1,1061 238.98,1062 275.889,1063 295.008,1064 301.763,1065 108.547,1066 9.347,1067 170.8,1068 170.8,1069 36,1070 13.133,1071 4.858,1072 4.087,1073 57.648,1074 226,1075 182,1076 0.123,1077 247.304,1078 455.46,1079 595.183,1080 196975,1082 28.129,1083 0.703,1084 0.507,1085 28.129,1086 20.283,1087 19.156,1088 0.426,1089 0.262,1090 11.587,1091 18.32,1092 11.433,1093 9.357,1094 19.156,1095 11.775,1096 18.527,1097 0.277,1098 0.133,1099 18.527,1100 8.935,1101 15.499,1102 0.17,1103 0.068,1104 15.499,1105 6.2,1106 14.152,1107 0.112,1108 0.035,1109 14.152,1110 4.356,1111 10.981,1112 0.067,1113 0.018,1114 10.981,1115 2.928,1116 0.199,1117 121.426,1118 0.183,1119 36.235,1120 0.322,1121 224,1122 793.426,1123 251.348,1124 750.151,1125 1010.55,1126 694,1127 270,1128 747.242,1129 297.02,1130 745.124,1131 1098.91,1132 703,1133 4}
{0 CHEMBL204948,1 1.272,2 11.941,3 5.922,4 35.065,5 132.412,6 8.509,7 0.615,8 4.076,9 4.143,10 3.773,11 3.775,12 5.282,13 3.762,14 4.552,15 4.635,16 4.159,17 4.161,18 5.756,19 4.144,20 4.836,21 4.965,22 4.293,23 4.282,24 6.034,25 4.263,26 4.857,27 4.979,28 4.272,29 4.238,30 6.173,31 4.225,32 4.829,33 4.959,34 4.204,35 4.254,36 6.095,37 4.225,38 4.808,39 4.944,40 4.112,41 4.274,42 6.017,43 4.209,44 4.812,45 4.988,46 3.97,47 4.231,48 5.887,49 4.126,50 4.763,51 4.985,52 3.791,53 4.049,54 5.779,55 3.924,56 0.016,57 0.509,58 7.171,59 4.288,60 6.229,61 4.836,62 0.032,63 0.848,64 12.472,65 7.13,66 11.838,67 7.984,68 0.174,69 1.226,70 21.256,71 10.32,72 32.952,73 11.567,74 0.492,75 1.259,76 22.79,77 10.415,78 60.142,79 10.806,80 0.355,81 1.23,82 22.247,83 10.223,84 57.839,85 10.525,86 0.269,87 1.198,88 20.586,89 10.088,90 54.604,91 11.1,92 0.157,93 1.258,94 21.997,95 10.858,96 38.252,97 13.541,98 0.359,99 1.286,100 24.967,101 11.211,102 44.931,103 14.912,104 5,105 56,106 0.206,107 0.405,108 0.532,109 0.711,110 0.815,111 0.846,112 3.561,113 0.841,114 -5.96,115 -5.81,116 -5.41,117 57.7,126 1,127 1,128 2,129 17,130 5,131 2,133 2,139 21,140 12,144 26,146 12,150 20,152 2,153 16,157 20,160 12,164 30,167 7,170 37,173 2,177 31,179 2,180 5,183 20,186 3,189 9,191 2000,192 23.637,193 23.637,194 23.637,195 23.637,196 23.637,197 20.211,198 15.522,199 13.91,200 23.789,201 19.286,202 19.286,203 19.286,204 19.286,205 19.286,206 14.061,207 19.897,208 6.61,209 19.557,210 4.428,211 3.195,212 2.407,213 1.301,214 0.654,215 0.462,216 4.285,219 1,220 921,221 2.449,223 524.574,224 297.831,225 1.723,226 34.538,228 0.75,229 0.67,230 1,231 0.4,233 1,234 1,235 0.69,236 72,237 406,238 4.663,239 3.724,240 6.998,241 4.296,242 3.307,243 4.269,244 0.86,245 11.907,246 3.275,247 4.45,248 3.596,249 6.52,250 4.077,251 3.097,252 4.043,253 0.86,254 10.244,255 3.041,256 4.156,257 3.031,258 6.259,259 3.748,260 2.756,261 3.779,263 9.279,264 2.733,265 4.073,266 3.014,267 6.075,268 3.674,269 2.683,270 3.64,271 8.782,272 2.654,273 3.833,274 2.786,275 5.855,276 3.46,277 2.474,278 3.288,279 8.038,280 2.432,281 3.463,282 2.647,283 5.093,284 3.024,285 2.015,286 2.797,287 5.789,288 2.02,289 3.349,290 2.381,291 5.063,292 2.94,293 1.945,294 2.582,295 5.738,296 1.922,297 3.261,298 1.971,299 4.725,300 2.795,301 1.828,302 2.477,303 4.928,304 1.757,305 2.966,306 1.747,307 4.434,308 2.514,309 1.545,310 2.129,311 4.197,312 1.485,313 2.884,314 1.535,315 3.894,316 2.415,317 1.432,318 2.047,319 3.124,320 1.401,321 2.823,322 1.393,323 3.696,324 2.321,325 1.329,326 1.934,327 2.992,328 1.316,329 2.669,330 1.315,331 3.641,332 2.166,333 1.167,334 1.709,336 2.856,337 1.164,338 2.5,339 1.308,340 3.572,341 2,342 1,343 1.5,345 2.353,346 1,347 2.5,348 1.154,349 3.484,350 2,351 1,352 1.5,354 2.275,355 1,356 2.47,357 1,358 3.414,359 1.948,360 0.941,361 1.369,363 2.267,364 0.94,365 16.333,366 0.48,367 0.743,368 0.022,369 52,370 1.529,371 31,372 0.912,373 21,374 0.618,375 23.434,376 0.689,377 32.267,378 0.621,379 42.596,380 1.253,381 10.539,382 0.31,383 6.147,384 0.181,385 0.041,387 0.367,390 0.645,391 0.847,392 0.634,393 0.831,394 0.555,395 0.752,396 0.799,397 1.049,398 0.786,399 1.03,400 0.636,401 0.931,402 1.144,403 1.023,404 0.848,405 0.994,406 0.892,407 0.895,408 1.433,409 0.973,410 1.004,411 0.952,412 1.169,413 0.913,414 1.524,415 0.871,416 1.083,417 0.863,418 1.475,419 0.889,420 1.116,421 1.003,422 1.192,423 1.021,424 1.409,425 1.099,426 0.614,427 1.148,428 1.136,429 1.176,430 0.838,431 1.232,432 0.385,433 1.045,434 0.962,435 1.07,436 0.49,437 1.107,438 5,439 0.211,440 4,441 2.5,442 2.658,443 1.542,444 0.546,445 0.417,446 0.367,447 0.252,448 17599,449 46711,450 2.216,451 34.6,453 18,457 1.762,458 2.125,459 3.504,460 -0.875,462 66.157,463 1.272,464 2.505,465 3.294,466 4.399,467 5.047,468 5.239,469 2.869,470 4.374,471 5.06,472 3.705,473 2078.59,474 8.884,475 30932.9,477 296.423,478 1.221,479 5.041,480 0.128,481 0.006,482 0.071,483 0.04,484 0.045,485 0.027,486 0.011,487 0.009,488 0.01,489 0.008,490 0.356,491 0.33,492 0.75,493 0.39,494 180.301,495 -0.006,496 0.003,497 0.051,498 0.01,499 -0.064,500 0.034,501 -0.008,502 -0.172,503 -0.032,504 -0.163,505 -0.031,506 -0.114,507 -0.042,508 -0.066,509 0.081,510 -0.049,511 -0.005,512 0.02,513 0.029,514 0.009,515 -0.025,516 0.004,517 0.063,518 -0.015,519 -0.226,520 0.104,521 -0.125,522 0.093,523 -0.121,524 0.02,525 -0.179,526 -0.053,527 -0.283,528 -0.075,529 -0.191,530 -0.172,531 -0.022,532 -0.182,533 -0.18,534 -0.191,535 -0.094,536 -0.208,537 0.27,538 -0.016,539 0.135,540 -0.013,541 0.113,542 0.027,543 1.762,544 6.549,545 0.941,546 34.118,547 1.005,548 1.088,549 4.731,550 22.383,551 0.744,552 3.689,553 4.043,554 4.394,555 4.718,556 5.024,557 5.142,558 5.342,559 5.501,560 5.656,561 5.74,562 7.16,563 0.723,564 442.48,565 3.689,566 5.252,567 6.138,568 7.04,569 7.941,570 8.85,571 9.757,572 10.669,573 11.579,574 12.494,583 17,585 7,586 24,587 2,590 2,592 52,593 28,594 4,595 39,596 57,597 30,598 24,599 7,600 17,601 6,602 6,603 8,610 30,613 4,614 2,615 1,617 5,620 18,621 4,623 4,627 0.667,628 4,631 6,632 2,633 3,634 1,637 4,643 34,648 2,654 7.7,656 2,657 2,658 16,659 9.667,660 7.333,661 3.146,662 4.854,663 1.551,664 1.063,665 4.887,666 13.67,667 4.025,668 4.654,669 5.301,670 5.903,671 6.491,672 6.793,673 7.293,674 7.742,675 8.19,676 8.547,677 0.875,678 62,679 12.611,680 5.625,681 7.765,682 23.848,683 20.214,684 2.265,685 77,688 211.88,689 220.927,692 72.29,695 220.927,696 284.169,700 170.572,701 71.044,702 51.6,704 211.88,706 211.88,707 220.927,708 72.29,710 211.88,711 72.29,713 200.963,714 19.963,716 211.88,717 72.29,718 220.927,719 211.88,720 50.354,721 170.572,723 72.29,724 211.88,725 72.29,726 220.927,727 0.585,728 0.357,729 0.207,730 0.118,731 30,732 12,733 0.053,734 3,735 2,736 1.125,737 4.454,738 347.168,739 0.125,740 32,741 157.464,743 20.258,744 8.203,745 3.556,747 72.29,748 31.468,750 4.458,752 505.096,753 55,754 26.067,755 1.497,757 1.308,758 52.262,759 56.574,760 0.223,761 0.439,762 0.578,763 0.772,764 0.885,765 0.919,766 5.268,767 1.828,768 6.125,769 5.738,770 4.727,771 5.342,772 1.376,773 6.984,774 4.7,775 6.491,776 1.545,777 7.708,778 4.928,779 4.29,780 5.047,782 7.966,783 4.257,784 7.809,785 1.432,786 9.395,787 4.197,788 6.358,789 7.549,790 1.159,791 11.127,792 6.304,793 9.165,794 1.329,795 11.146,796 3.124,797 6.781,798 8.088,800 12.956,801 6.722,802 10.554,803 1.167,804 12.937,805 2.992,806 8.293,807 10.023,808 0.963,809 15.63,810 8.215,811 11.968,812 1,813 14.757,814 2.856,815 9.115,816 10.972,818 17.803,819 9.029,820 13.401,821 1,822 16.595,823 2.353,824 10.405,825 12.647,826 0.787,827 20.318,828 10.304,829 3.307,830 0.941,831 18.448,832 2.275,833 11.413,834 13.811,836 22.643,837 11.303,838 3.097,839 11.907,840 20.312,841 2.267,842 12.617,843 15.357,844 0.634,845 25.108,846 12.494,847 2.756,848 10.244,849 22.185,850 4.269,851 13.711,852 16.638,854 27.502,855 13.577,856 2.683,857 9.279,858 24.065,859 4.043,860 14.886,861 18.121,862 0.504,863 29.956,864 14.74,865 2.474,866 8.782,867 25.952,868 3.779,869 16.02,870 19.466,872 32.385,873 15.863,874 2.015,875 8.038,876 27.844,877 3.64,878 17.188,879 20.918,880 0.395,881 34.84,882 17.02,883 1.945,884 5.789,885 29.74,886 3.288,887 18.342,888 22.299,890 37.288,891 18.164,892 15895,893 26066,894 27.046,895 38.671,896 60.134,897 62.095,898 60.635,899 59.151,900 59.087,901 81.082,902 3.44,903 174.434,904 58.306,905 5.544,906 5.724,907 6.8,908 5.393,909 5.307,910 7.269,911 1.72,912 19.529,913 5.275,914 10.728,915 1.542,916 1.592,917 1.555,918 1.517,919 1.515,920 2.079,921 0.088,922 4.473,923 1.495,924 4.083,925 4.092,926 4.05,927 4.018,928 7.43,929 4.023,930 3.974,931 3.982,932 3.938,933 3.895,934 7.426,935 3.902,936 3.846,937 3.873,938 3.782,939 3.793,940 4.944,941 3.787,942 3.834,943 3.859,944 3.771,945 3.787,946 4.87,947 3.78,948 3.488,949 3.505,950 3.429,951 3.402,952 4.707,953 3.406,954 3.345,955 3.36,956 3.282,957 3.224,958 4.674,959 3.234,960 3,961 3.015,962 2.944,963 2.848,964 4.371,965 2.859,966 2.975,967 2.992,968 2.917,969 2.82,970 4.291,971 2.831,972 0.12,973 0.095,974 0.179,975 0.11,976 0.085,977 4.663,978 0.109,979 3.724,980 0.022,981 6.998,982 0.305,983 4.296,984 0.084,985 3.307,986 4.269,987 0.86,988 11.907,989 3.275,990 2.021,991 2.012,992 2.093,993 2.1,994 1.22,995 2.096,996 1.944,997 1.933,998 2.03,999 2.04,1000 1.12,1001 2.034,1002 1.856,1003 1.83,1004 1.976,1005 1.932,1006 1.048,1007 1.949,1008 1.841,1009 1.818,1010 1.952,1011 1.911,1012 1.045,1013 1.927,1014 1.463,1015 1.446,1016 1.568,1017 1.58,1018 0.673,1019 1.577,1020 1.299,1021 1.282,1022 1.416,1023 1.45,1024 0.483,1025 1.438,1026 0.946,1027 0.918,1028 1.181,1029 1.134,1030 0.218,1031 1.132,1032 0.921,1033 0.892,1034 1.181,1035 1.115,1036 0.218,1037 1.116,1038 4.369,1039 5.714,1041 7.277,1043 8.939,1045 10.651,1053 12.202,1058 37.6,1059 66.157,1060 130.268,1061 171.285,1062 228.771,1063 262.423,1064 272.423,1065 57.69,1066 8.816,1067 60.42,1068 60.42,1069 36,1070 13.007,1071 4.858,1072 4.087,1073 45.075,1074 146,1075 146,1076 0.149,1077 223.327,1078 402.72,1079 536.678,1080 96991,1082 23.07,1083 0.679,1084 0.53,1085 23.07,1086 18.025,1087 16.687,1088 0.428,1089 0.28,1090 10.855,1091 16.324,1092 10.644,1093 8.783,1094 16.687,1095 10.939,1096 15.035,1097 0.268,1098 0.144,1099 15.035,1100 8.046,1101 13.581,1102 0.17,1103 0.074,1104 13.581,1105 5.927,1106 12.053,1107 0.109,1108 0.038,1109 12.053,1110 4.244,1111 10.354,1112 0.069,1113 0.02,1114 10.354,1115 3.045,1116 0.233,1117 102.908,1118 0.192,1119 31.139,1120 0.413,1121 190,1122 544.942,1123 202.622,1124 530.013,1125 741.2,1126 498,1127 231,1128 561.818,1129 244.953,1130 568.912,1131 844.99,1132 540,1133 4}
{0 CHEMBL205219,1 1.272,2 14.765,3 5.961,4 35.538,5 133.171,6 8.509,7 0.615,8 4.076,9 4.143,10 3.773,11 3.775,12 5.28,13 3.762,14 4.552,15 4.635,16 4.159,17 4.161,18 5.765,19 4.144,20 4.836,21 4.965,22 4.262,23 4.28,24 6.031,25 4.254,26 4.844,27 4.98,28 4.16,29 4.213,30 6.115,31 4.17,32 4.783,33 4.96,34 3.969,35 4.142,36 5.935,37 4.067,38 4.645,39 4.832,40 3.817,41 4.022,42 5.766,43 3.934,44 4.494,45 4.663,46 3.735,47 3.914,48 5.593,49 3.835,50 4.459,51 4.639,52 3.656,53 3.842,54 5.489,55 3.758,56 0.016,57 0.509,58 7.171,59 4.288,60 6.229,61 4.836,62 0.032,63 0.848,64 12.472,65 7.13,66 11.887,67 7.984,68 0.204,69 1.226,70 21.255,71 10.304,72 36.391,73 11.402,74 0.48,75 1.259,76 22.666,77 10.495,78 57.687,79 11.289,80 0.297,81 1.243,82 23.382,83 10.582,84 49.977,85 12.308,86 0.211,87 1.091,88 20.393,89 9.379,90 47.673,91 11.472,92 0.145,93 0.911,94 16.292,95 7.809,96 33.145,97 9.458,98 0.152,99 0.895,100 16.453,101 7.689,102 22.661,103 9.396,104 5,105 56,106 0.206,107 0.403,108 0.526,109 0.65,110 0.71,111 0.71,112 3.56,113 0.841,114 -5.96,115 -5.81,116 -5.41,117 57.7,126 2,128 2,129 16,130 6,131 2,133 2,139 21,140 12,144 28,146 10,150 24,152 2,153 12,157 22,160 8,164 24,167 6,170 24,173 6,177 21,180 6,183 16,186 6,189 16,191 2000,192 23.532,193 23.532,194 23.532,195 23.532,196 23.532,197 20.173,198 15.522,199 13.706,200 23.686,201 19.273,202 19.273,203 19.273,204 19.273,205 19.273,206 14.094,207 19.897,208 6.506,209 19.547,210 4.428,211 3.203,212 2.447,213 1.677,214 1.308,215 1.308,216 4.285,219 1,220 1142,221 2.449,223 603.383,224 334.157,225 2.394,226 31.438,228 0.75,229 0.67,230 1,231 0.4,233 1,234 1,235 0.69,236 72,237 502,238 4.462,239 3.596,240 6.521,241 4.087,242 3.107,243 4.074,244 0.86,245 10.248,246 3.051,247 4.45,248 3.596,249 6.52,250 4.077,251 3.097,252 4.043,253 0.86,254 10.244,255 3.041,256 4.267,257 3.043,258 6.188,259 3.889,260 2.889,261 3.912,263 9.181,264 2.889,265 4.073,266 3.014,267 6.07,268 3.674,269 2.683,270 3.64,271 8.768,272 2.654,273 3.915,274 2.833,275 6.004,276 3.537,277 2.551,278 3.346,279 8.569,280 2.51,281 3.463,282 2.647,283 5.063,284 3.024,285 2.015,286 2.797,287 5.788,288 2.02,289 3.422,290 2.574,291 5.063,292 3.019,293 2.012,294 2.677,295 5.788,296 2.01,297 3.261,298 1.971,299 4.665,300 2.795,301 1.828,302 2.477,303 5.025,304 1.757,305 3.006,306 1.769,307 4.48,308 2.541,309 1.584,310 2.16,311 4.414,312 1.504,313 2.884,314 1.535,315 4.209,316 2.415,317 1.432,318 2.047,319 3.637,320 1.401,321 2.827,322 1.385,323 3.69,324 2.306,325 1.317,326 1.935,327 2.973,328 1.3,329 2.669,330 1.315,331 3.662,332 2.166,333 1.167,334 1.709,336 2.918,337 1.164,338 2.5,339 1.305,340 3.574,341 2,342 1,343 1.5,345 2.375,346 1,347 2.5,348 1.154,349 3.568,350 2,351 1,352 1.5,354 2.305,355 1,356 2.479,357 1,358 3.414,359 1.966,360 0.957,361 1.389,363 2.275,364 0.958,365 16.333,366 0.48,367 0.777,368 0.023,369 52,370 1.529,371 31,372 0.912,373 21,374 0.618,375 22.465,376 0.661,377 32.267,378 0.621,379 40.882,380 1.202,381 10.511,382 0.309,383 6.142,384 0.181,385 0.041,387 0.367,390 0.645,391 0.847,392 0.634,393 0.831,394 0.558,395 0.752,396 0.799,397 1.049,398 0.786,399 1.03,400 0.613,401 0.931,402 1.182,403 1.022,404 0.934,405 1.003,406 0.917,407 0.941,408 1.262,409 1.054,410 1.137,411 1.053,412 1.04,413 1.069,414 1.109,415 0.953,416 1.102,417 0.963,418 1.136,419 1.017,420 0.846,421 0.965,422 1.034,423 0.98,424 1.205,425 1.028,426 0.806,427 1.037,428 1.042,429 1.051,430 0.958,431 1.08,432 0.83,433 1.027,434 1.034,435 1.039,436 0.521,437 1.065,438 6,439 0.14,440 4.444,441 2,442 2.018,443 1.375,444 0.645,445 0.253,446 0.319,447 0.305,448 20719,449 55671,450 2.216,451 34.6,453 18,457 1.752,458 2.125,459 3.812,460 -0.875,462 66.157,463 1.272,464 2.497,465 3.254,466 4.023,467 4.393,468 4.393,469 3.22,470 3.852,471 5.061,472 4.005,473 2246.85,474 8.828,475 35692.5,477 296.423,478 1.221,479 5.041,480 0.154,481 0.005,482 0.079,483 0.033,484 0.039,485 0.031,486 0.017,487 0.007,488 0.01,489 0.01,490 0.385,491 0.33,492 0.75,493 0.39,494 185.405,495 -0.006,496 0.003,497 0.051,498 0.01,499 -0.067,500 0.034,501 -0.008,502 -0.172,503 -0.032,504 -0.163,505 -0.008,506 -0.114,507 -0.081,508 -0.065,509 -0.006,510 -0.057,511 -0.031,512 -0.027,513 0.03,514 -0.072,515 -0.155,516 -0.087,517 0.03,518 -0.14,519 -0.123,520 0.05,521 -0.074,522 0.044,523 -0.076,524 0.004,525 -0.055,526 0.033,527 -0.013,528 0.032,529 -0.078,530 0.02,531 -0.045,532 -0.063,533 -0.073,534 -0.065,535 -0.094,536 -0.072,537 -0.038,538 -0.036,539 -0.027,540 -0.035,541 -0.014,542 -0.03,543 1.725,544 5.416,545 0.941,546 40.401,547 1.005,548 1.088,549 4.731,550 22.383,551 0.744,552 3.689,553 4.043,554 4.369,555 4.654,556 4.934,557 5.03,558 5.198,559 5.313,560 5.485,561 5.595,562 8.558,563 0.723,564 442.48,565 3.689,566 5.252,567 6.129,568 7.02,569 7.907,570 8.8,571 9.689,572 10.583,573 11.473,574 12.368,583 16,585 8,586 24,587 2,590 2,592 52,593 28,594 4,595 39,596 57,597 30,598 24,599 8,600 16,601 6,602 6,603 8,610 30,613 4,614 2,615 2,617 4,620 18,621 4,623 4,627 0.667,628 4,631 6,632 2,633 4,637 4,643 34,648 2,654 7.7,656 2,657 2,658 16,659 9.667,660 7.278,661 3.132,662 5.386,663 1.601,664 1.063,665 4.887,666 14.347,667 4.025,668 4.654,669 5.288,670 5.871,671 6.447,672 6.739,673 7.211,674 7.61,675 8.075,676 8.471,677 0.9,678 60,679 12.576,680 5.578,681 7.765,682 23.848,683 20.205,684 2.265,685 77,688 211.88,689 220.927,692 72.29,695 220.927,696 284.169,700 170.572,701 71.044,702 51.6,704 211.88,706 211.88,707 220.927,708 72.29,710 211.88,711 72.29,713 191.487,714 29.439,716 211.88,717 72.29,718 220.927,719 211.88,720 50.354,721 170.572,723 72.29,724 211.88,725 72.29,726 220.927,727 0.589,728 0.356,729 0.197,730 0.108,731 30,732 12,733 0.053,734 3,735 2,736 1.125,737 4.647,738 330.552,739 0.125,740 32,741 126.974,743 20.258,744 8.203,745 3.752,747 72.29,748 30.24,750 6.018,752 505.096,753 55,754 24.833,755 3.062,757 0.961,758 52.262,759 56.574,760 0.223,761 0.438,762 0.571,763 0.706,764 0.771,765 0.771,766 5.268,767 1.828,768 6.116,769 5.788,770 4.727,771 5.342,772 1.376,773 6.948,774 4.7,775 6.491,776 1.584,777 7.686,778 5.025,779 4.29,780 5.056,782 7.861,783 4.257,784 7.805,785 1.432,786 9.354,787 4.414,788 6.344,789 7.541,790 1.159,791 10.969,792 6.289,793 9.154,794 1.317,795 11.081,796 3.637,797 6.735,798 8.065,800 12.691,801 6.672,802 10.533,803 1.167,804 12.844,805 2.973,806 8.239,807 9.994,808 0.963,809 15.293,810 8.157,811 11.933,812 1,813 14.632,814 2.918,815 9.012,816 10.914,818 17.34,819 8.92,820 13.35,821 1,822 16.435,823 2.375,824 10.287,825 12.583,826 0.787,827 19.758,828 10.177,829 3.107,830 0.957,831 18.251,832 2.305,833 11.242,834 13.713,836 21.946,837 11.117,838 3.097,839 10.248,840 20.075,841 2.275,842 12.419,843 15.249,844 0.634,845 24.293,846 12.278,847 2.889,848 10.244,849 21.906,850 4.074,851 13.459,852 16.493,854 26.544,855 13.301,856 2.683,857 9.181,858 23.742,859 4.043,860 14.597,861 17.96,862 0.504,863 28.866,864 14.423,865 2.551,866 8.768,867 25.581,868 3.912,869 15.676,870 19.266,872 31.147,873 15.485,874 2.015,875 8.569,876 27.424,877 3.64,878 16.799,879 20.696,880 0.395,881 33.461,882 16.592,883 2.012,884 5.788,885 29.27,886 3.346,887 17.899,888 22.038,890 35.758,891 17.673,892 18539,893 30556,894 27.046,895 38.671,896 60.108,897 61.965,898 60.314,899 59.13,900 59.092,901 81.061,902 3.44,903 173.564,904 58.314,905 5.321,906 5.596,907 6.202,908 5.184,909 5.107,910 7.074,911 1.72,912 17.138,913 5.051,914 11.266,915 1.541,916 1.589,917 1.547,918 1.516,919 1.515,920 2.078,921 0.088,922 4.45,923 1.495,924 4.073,925 4.086,926 4.032,927 4.014,928 7.43,929 4.015,930 3.98,931 3.988,932 3.944,933 3.9,934 7.426,935 3.908,936 3.913,937 3.931,938 3.864,939 3.855,940 4.942,941 3.855,942 3.757,943 3.784,944 3.693,945 3.711,946 4.877,947 3.704,948 3.466,949 3.485,950 3.402,951 3.37,952 4.753,953 3.375,954 3.39,955 3.411,956 3.318,957 3.272,958 4.594,959 3.279,960 3.032,961 3.04,962 2.992,963 2.906,964 4.369,965 2.918,966 2.952,967 2.975,968 2.883,969 2.789,970 4.286,971 2.797,972 0.114,973 0.092,974 0.167,975 0.105,976 0.08,977 4.462,978 0.104,979 3.596,980 0.022,981 6.521,982 0.263,983 4.087,984 0.078,985 3.107,986 4.074,987 0.86,988 10.248,989 3.051,990 2.023,991 2.008,992 2.104,993 2.094,994 1.227,995 2.096,996 1.95,997 1.939,998 2.032,999 2.047,1000 1.124,1001 2.04,1002 1.902,1003 1.885,1004 1.997,1005 1.982,1006 1.088,1007 1.988,1008 1.769,1009 1.745,1010 1.886,1011 1.839,1012 0.988,1013 1.856,1014 1.438,1015 1.42,1016 1.558,1017 1.567,1018 0.638,1019 1.564,1020 1.355,1021 1.333,1022 1.497,1023 1.506,1024 0.533,1025 1.502,1026 0.978,1027 0.96,1028 1.181,1029 1.145,1030 0.236,1031 1.137,1032 0.906,1033 0.869,1034 1.181,1035 1.104,1036 0.218,1037 1.11,1038 4.369,1039 5.714,1041 7.269,1043 8.914,1045 10.604,1053 11.886,1058 37.6,1059 66.157,1060 129.854,1061 169.204,1062 209.204,1063 228.423,1064 228.423,1065 53.781,1066 8.961,1067 60.42,1068 60.42,1069 36,1070 12.894,1071 4.858,1072 4.087,1073 45.577,1074 179,1075 146,1076 0.123,1077 223.327,1078 402.72,1079 536.678,1080 122607,1082 23.07,1083 0.679,1084 0.53,1085 23.07,1086 18.025,1087 16.653,1088 0.427,1089 0.28,1090 10.843,1091 16.283,1092 10.628,1093 8.764,1094 16.653,1095 10.927,1096 15.184,1097 0.271,1098 0.145,1099 15.184,1100 8.097,1101 13.591,1102 0.174,1103 0.076,1104 13.591,1105 5.941,1106 11.776,1107 0.113,1108 0.04,1109 11.776,1110 4.146,1111 9.92,1112 0.072,1113 0.021,1114 9.92,1115 2.911,1116 0.201,1117 102.706,1118 0.192,1119 32.032,1120 0.319,1121 190,1122 544.942,1123 202.622,1124 530.204,1125 739.96,1126 498,1127 229,1128 559.818,1129 242.289,1130 567.022,1131 837.6,1132 538,1133 4}
{0 CHEMBL205326,1 1.272,2 14.559,3 5.961,4 35.538,5 133.171,6 8.509,7 0.615,8 4.076,9 4.143,10 3.773,11 3.775,12 5.28,13 3.762,14 4.552,15 4.635,16 4.159,17 4.161,18 5.766,19 4.144,20 4.836,21 4.965,22 4.262,23 4.28,24 6.03,25 4.254,26 4.844,27 4.981,28 4.173,29 4.219,30 6.105,31 4.179,32 4.786,33 4.953,34 4.047,35 4.171,36 5.958,37 4.109,38 4.697,39 4.863,40 3.945,41 4.083,42 5.898,43 4.016,44 4.596,45 4.757,46 3.812,47 3.965,48 5.782,49 3.895,50 4.485,51 4.676,52 3.602,53 3.82,54 5.516,55 3.728,56 0.016,57 0.509,58 7.171,59 4.288,60 6.229,61 4.836,62 0.032,63 0.848,64 12.472,65 7.13,66 11.887,67 7.984,68 0.204,69 1.226,70 21.255,71 10.304,72 36.408,73 11.402,74 0.484,75 1.26,76 22.777,77 10.507,78 58.039,79 11.323,80 0.259,81 1.23,82 22.773,83 10.466,84 45.159,85 12.204,86 0.224,87 1.121,88 20.51,89 9.535,90 49.276,91 11.13,92 0.226,93 1.007,94 18.369,95 8.525,96 46.079,97 9.648,98 0.219,99 0.938,100 17.952,101 8.035,102 36.343,103 9.623,104 5,105 56,106 0.206,107 0.403,108 0.543,109 0.721,110 0.832,111 0.865,112 3.56,113 0.841,114 -5.96,115 -5.81,116 -5.41,117 57.7,126 2,128 2,129 16,130 6,131 2,133 2,139 21,140 12,144 28,146 10,150 24,152 2,153 12,157 21,160 10,164 23,167 9,170 23,173 8,177 21,180 5,183 17,186 2,189 16,191 2000,192 23.532,193 23.532,194 23.532,195 23.532,196 23.532,197 20.173,198 15.522,199 13.766,200 23.686,201 19.29,202 19.29,203 19.29,204 19.29,205 19.29,206 14.1,207 19.897,208 6.568,209 19.563,210 4.428,211 3.203,212 2.339,213 1.238,214 0.553,215 0.346,216 4.285,219 1,220 1124,221 2.449,223 578.394,224 312.094,225 2.382,226 32.417,228 0.75,229 0.67,230 1,231 0.4,233 1,234 1,235 0.69,236 72,237 495,238 4.499,239 3.602,240 6.556,241 4.125,242 3.141,243 4.153,244 0.86,245 10.39,246 3.098,247 4.45,248 3.596,249 6.52,250 4.077,251 3.097,252 4.043,253 0.86,254 10.245,255 3.041,256 4.221,257 3.031,258 6.166,259 3.838,260 2.846,261 3.808,263 9.142,264 2.821,265 4.073,266 3.014,267 6.07,268 3.674,269 2.683,270 3.64,271 8.773,272 2.654,273 3.896,274 2.855,275 5.987,276 3.531,277 2.536,278 3.33,279 8.475,280 2.518,281 3.463,282 2.647,283 5.065,284 3.024,285 2.015,286 2.797,287 5.798,288 2.02,289 3.408,290 2.532,291 5.063,292 2.999,293 2,294 2.671,295 5.788,296 1.981,297 3.261,298 1.971,299 4.624,300 2.795,301 1.828,302 2.477,303 4.909,304 1.757,305 3.141,306 1.836,307 4.516,308 2.661,309 1.693,310 2.341,311 4.556,312 1.628,313 2.884,314 1.535,315 4.26,316 2.415,317 1.432,318 2.047,319 3.767,320 1.401,321 2.731,322 1.376,323 3.755,324 2.228,325 1.239,326 1.798,327 2.952,328 1.222,329 2.669,330 1.315,331 3.676,332 2.166,333 1.167,334 1.709,336 2.865,337 1.164,338 2.5,339 1.245,340 3.572,341 2,342 1,343 1.5,345 2.358,346 1,347 2.5,348 1.154,349 3.463,350 2,351 1,352 1.5,354 2.313,355 1,356 2.468,357 1,358 3.414,359 1.951,360 0.949,361 1.373,363 2.275,364 0.943,365 16.333,366 0.48,367 0.777,368 0.023,369 52,370 1.529,371 31,372 0.912,373 21,374 0.618,375 22.663,376 0.667,377 32.267,378 0.621,379 41.265,380 1.214,381 10.511,382 0.309,383 6.142,384 0.181,385 0.041,387 0.367,390 0.645,391 0.847,392 0.634,393 0.831,394 0.558,395 0.752,396 0.799,397 1.049,398 0.786,399 1.03,400 0.612,401 0.931,402 1.182,403 1.022,404 0.934,405 1.003,406 0.919,407 0.941,408 1.259,409 1.021,410 1.106,411 1.019,412 1.052,413 1.032,414 1.07,415 0.953,416 1.013,417 0.955,418 1.09,419 0.97,420 1.043,421 1.004,422 1.054,423 1.008,424 1.345,425 1.028,426 1.18,427 1.056,428 1.168,429 1.063,430 1.369,431 1.103,432 1.01,433 0.958,434 1.107,435 0.974,436 0.938,437 1.04,438 6,439 0.091,440 4.222,441 1.875,442 2.178,443 1.514,444 0.625,445 0.321,446 0.405,447 0.242,448 19999,449 53111,450 2.216,451 34.6,453 18,457 1.754,458 2.125,459 3.788,460 -0.875,462 66.157,463 1.272,464 2.497,465 3.362,466 4.463,467 5.147,468 5.354,469 3.268,470 4.477,471 5.058,472 3.973,473 2228.92,474 8.835,475 34669,477 296.423,478 1.221,479 5.041,480 0.154,481 0.003,482 0.075,483 0.031,484 0.041,485 0.032,486 0.015,487 0.009,488 0.013,489 0.008,490 0.381,491 0.33,492 0.75,493 0.39,494 184.322,495 -0.006,496 0.003,497 0.051,498 0.01,499 -0.067,500 0.034,501 -0.008,502 -0.172,503 -0.032,504 -0.163,505 -0.007,506 -0.114,507 -0.081,508 -0.065,509 -0.006,510 -0.057,511 -0.033,512 -0.027,513 0.033,514 -0.038,515 -0.123,516 -0.053,517 0.018,518 -0.102,519 -0.09,520 0.039,521 -0.008,522 0.04,523 -0.037,524 0.032,525 -0.089,526 -0.017,527 -0.057,528 -0.018,529 -0.076,530 -0.029,531 -0.138,532 -0.067,533 -0.169,534 -0.076,535 -0.155,536 -0.117,537 -0.1,538 0.057,539 -0.051,540 0.052,541 -0.117,542 0.017,543 1.753,544 5.833,545 0.941,546 41.087,547 1.005,548 1.088,549 4.731,550 22.383,551 0.744,552 3.689,553 4.043,554 4.369,555 4.663,556 4.963,557 5.069,558 5.252,559 5.398,560 5.595,561 5.694,562 8.289,563 0.723,564 442.48,565 3.689,566 5.252,567 6.129,568 7.022,569 7.911,570 8.808,571 9.701,572 10.599,573 11.494,574 12.394,583 16,585 8,586 24,587 2,590 2,592 52,593 28,594 4,595 39,596 57,597 30,598 24,599 8,600 16,601 6,602 6,603 8,610 30,613 4,614 2,615 2,617 4,620 18,621 4,623 4,627 0.667,628 4,631 6,632 2,633 4,637 4,643 34,648 2,654 7.7,656 2,657 2,658 16,659 9.667,660 7.278,661 3.132,662 5.208,663 1.582,664 1.063,665 4.887,666 14.158,667 4.025,668 4.654,669 5.288,670 5.877,671 6.468,672 6.77,673 7.253,674 7.677,675 8.167,676 8.561,677 0.9,678 60,679 12.587,680 5.592,681 7.765,682 23.848,683 20.205,684 2.265,685 77,688 211.88,689 220.927,692 72.29,695 220.927,696 284.169,700 170.572,701 71.044,702 51.6,704 211.88,706 211.88,707 220.927,708 72.29,710 211.88,711 72.29,713 191.487,714 29.439,716 211.88,717 72.29,718 220.927,719 211.88,720 50.354,721 170.572,723 72.29,724 211.88,725 72.29,726 220.927,727 0.588,728 0.353,729 0.196,730 0.111,731 30,732 12,733 0.053,734 3,735 2,736 1.125,737 4.611,738 334.244,739 0.125,740 32,741 164.974,743 20.258,744 8.203,745 3.752,747 72.29,748 30.122,750 5.713,752 505.096,753 55,754 25.266,755 3.051,757 0.906,758 52.262,759 56.574,760 0.223,761 0.438,762 0.59,763 0.783,764 0.903,765 0.939,766 5.268,767 1.828,768 6.116,769 5.788,770 4.727,771 5.342,772 1.376,773 6.95,774 4.7,775 6.491,776 1.693,777 7.686,778 4.909,779 4.29,780 5.056,782 7.861,783 4.257,784 7.805,785 1.432,786 9.355,787 4.556,788 6.344,789 7.541,790 1.159,791 10.978,792 6.289,793 9.154,794 1.239,795 11.082,796 3.767,797 6.735,798 8.065,800 12.698,801 6.672,802 10.533,803 1.167,804 12.846,805 2.952,806 8.24,807 9.995,808 0.963,809 15.31,810 8.159,811 11.934,812 1,813 14.634,814 2.865,815 9.016,816 10.918,818 17.36,819 8.923,820 13.351,821 1,822 16.439,823 2.358,824 10.293,825 12.589,826 0.787,827 19.787,828 10.184,829 3.141,830 0.949,831 18.256,832 2.313,833 11.252,834 13.725,836 21.98,837 11.128,838 3.097,839 10.39,840 20.081,841 2.275,842 12.433,843 15.264,844 0.634,845 24.336,846 12.293,847 2.846,848 10.245,849 21.914,850 4.153,851 13.477,852 16.516,854 26.594,855 13.322,856 2.683,857 9.142,858 23.751,859 4.043,860 14.62,861 17.987,862 0.504,863 28.925,864 14.449,865 2.536,866 8.773,867 25.593,868 3.808,869 15.706,870 19.304,872 31.215,873 15.518,874 2.015,875 8.475,876 27.438,877 3.64,878 16.834,879 20.74,880 0.395,881 33.537,882 16.631,883 2,884 5.798,885 29.285,886 3.33,887 17.941,888 22.093,890 35.843,891 17.721,892 17953,893 29428,894 27.046,895 38.671,896 60.163,897 62.031,898 60.01,899 59.11,900 59.099,901 81.066,902 3.44,903 173.563,904 58.322,905 5.357,906 5.602,907 6.358,908 5.223,909 5.141,910 7.153,911 1.72,912 17.285,913 5.098,914 11.022,915 1.543,916 1.591,917 1.539,918 1.516,919 1.515,920 2.079,921 0.088,922 4.45,923 1.495,924 4.08,925 4.091,926 4.042,927 4.019,928 7.43,929 4.021,930 3.975,931 3.984,932 3.94,933 3.897,934 7.426,935 3.904,936 3.893,937 3.918,938 3.835,939 3.845,940 4.944,941 3.84,942 3.78,943 3.801,944 3.721,945 3.721,946 4.872,947 3.718,948 3.476,949 3.492,950 3.417,951 3.375,952 4.738,953 3.383,954 3.372,955 3.395,956 3.299,957 3.264,958 4.637,959 3.268,960 3.012,961 3.026,962 2.959,963 2.872,964 4.377,965 2.881,966 2.982,967 2.997,968 2.927,969 2.846,970 4.238,971 2.856,972 0.115,973 0.092,974 0.168,975 0.106,976 0.081,977 4.499,978 0.106,979 3.602,980 0.022,981 6.556,982 0.266,983 4.125,984 0.079,985 3.141,986 4.153,987 0.86,988 10.39,989 3.098,990 2.026,991 2.014,992 2.101,993 2.1,994 1.229,995 2.098,996 1.947,997 1.935,998 2.037,999 2.042,1000 1.124,1001 2.036,1002 1.895,1003 1.874,1004 2.001,1005 1.967,1006 1.089,1007 1.981,1008 1.778,1009 1.758,1010 1.882,1011 1.86,1012 0.984,1013 1.869,1014 1.443,1015 1.426,1016 1.559,1017 1.574,1018 0.629,1019 1.569,1020 1.346,1021 1.322,1022 1.491,1023 1.485,1024 0.543,1025 1.487,1026 0.958,1027 0.933,1028 1.181,1029 1.141,1030 0.229,1031 1.136,1032 0.935,1033 0.91,1034 1.181,1035 1.112,1036 0.218,1037 1.112,1038 4.369,1039 5.714,1041 7.269,1043 8.916,1045 10.608,1053 11.942,1058 37.6,1059 66.157,1060 129.854,1061 174.813,1062 232.058,1063 267.668,1064 278.423,1065 54.701,1066 8.95,1067 60.42,1068 60.42,1069 36,1070 12.917,1071 4.858,1072 4.087,1073 45.491,1074 172,1075 160,1076 0.129,1077 223.327,1078 402.72,1079 536.678,1080 116113,1082 23.07,1083 0.679,1084 0.53,1085 23.07,1086 18.025,1087 16.653,1088 0.427,1089 0.28,1090 10.843,1091 16.283,1092 10.627,1093 8.765,1094 16.653,1095 10.927,1096 15.196,1097 0.271,1098 0.145,1099 15.196,1100 8.1,1101 13.545,1102 0.174,1103 0.076,1104 13.545,1105 5.923,1106 11.736,1107 0.112,1108 0.04,1109 11.736,1110 4.154,1111 10.07,1112 0.071,1113 0.021,1114 10.07,1115 2.954,1116 0.208,1117 102.706,1118 0.192,1119 31.873,1120 0.338,1121 190,1122 544.942,1123 202.622,1124 530.269,1125 739.98,1126 498,1127 229,1128 559.818,1129 242.289,1130 567.159,1131 837.88,1132 538,1133 4}
{0 CHEMBL274642,1 1.779,2 6.438,3 2.061,4 4.248,5 54.749,6 8.817,7 0.353,8 3.403,9 3.534,10 3.075,11 2.855,12 4.656,13 2.893,14 3.956,15 4.121,16 3.57,17 3.205,18 5.844,19 3.245,20 4.084,21 4.306,22 3.376,23 3.228,24 5.413,25 3.23,26 4.073,27 4.307,28 3.263,29 3.098,30 5.459,31 3.115,32 3.92,33 4.158,34 3.176,35 2.959,36 5.323,37 2.954,38 3.775,39 4.014,40 2.976,41 2.738,42 5.306,43 2.735,44 3.634,45 3.899,46 2.682,47 2.312,48 5.118,49 2.38,50 3.122,51 3.415,52 2.054,53 1.54,54 5.072,55 1.614,56 0.18,57 0.621,58 3.904,59 2.291,60 33.75,61 2.451,62 0.774,63 1.192,64 9.242,65 3.701,66 134.478,67 4.257,68 0.473,69 0.923,70 11.424,71 3.832,72 51.018,73 4.885,74 0.662,75 0.895,76 13.247,77 4.027,78 96.955,79 4.429,80 0.57,81 0.729,82 11.444,83 3.517,84 67.064,85 4.484,86 0.527,87 0.622,88 9.913,89 2.956,90 78.316,91 3.621,92 0.544,93 0.568,94 10.279,95 2.681,96 96.501,97 2.663,98 0.474,99 0.225,100 7.069,101 1.16,102 86.408,103 1.179,104 18,105 25,106 0.359,107 0.71,108 0.803,109 0.865,110 0.865,111 0.865,112 2.854,113 0.837,114 -4.17,115 -4.11,116 -3.89,117 38.5,119 1,123 1,125 1,129 4,130 1,131 1,134 1,135 1,136 1,137 1,138 1,139 4,140 4,141 1,142 1,143 1,144 4,145 1,146 4,147 1,148 1,150 2,153 3,157 2,160 1,163 2,164 2,165 2,169 2,170 1,171 2,176 1,178 1,191 244,192 10.126,193 10.126,194 10.126,195 10.126,196 10.126,197 9.181,198 15.143,199 5.811,200 10.512,201 8.395,202 8.395,203 8.395,204 8.395,205 8.395,206 6.955,207 23.907,208 2.767,209 9.102,210 2.921,211 1.183,212 0.721,213 0.414,214 0.414,215 0.414,216 3.492,218 1,219 1,220 210,221 2.828,222 41.469,223 51.233,225 1.063,226 31.544,228 1,229 1,230 1,231 0.8,232 0.5,233 1,234 1,235 0.9,236 38,237 103,238 4.466,239 4.461,240 7.118,241 4.19,242 3.325,243 3.898,244 3.825,245 11.701,246 2.935,247 4.09,248 3.239,249 6.171,250 3.815,251 2.879,252 3.326,253 1.276,254 9.177,255 2.652,256 3.643,257 2.695,258 5.092,259 3.216,260 2.268,261 2.914,262 0.4,263 6.224,264 2.131,265 3.019,266 2.049,267 4.634,268 2.647,269 1.715,270 2.146,271 4.819,272 1.571,273 2.577,274 1.379,275 4.037,276 2.128,277 1.172,278 1.608,279 3.189,280 1.103,281 2.35,282 1.127,283 3.473,284 2.027,285 1.048,286 1.308,287 2.463,288 1.024,289 1.839,290 0.921,291 3.267,292 1.658,293 0.675,294 0.741,295 1.655,296 0.662,297 0.789,298 0.51,299 2.737,300 0.391,301 -0.574,302 -0.708,303 -1.421,304 -0.549,305 0.627,306 0.51,307 2.407,308 0.204,309 -0.759,310 -0.906,311 -1.902,312 -0.7,313 0.357,314 -0.271,315 2,316 0.07,317 -0.88,318 -1,319 -2.451,320 -0.7,322 -0.43,323 2,324 -0.3,325 -1,326 -1,327 -3,328 -0.723,330 -0.604,331 1.65,332 -0.3,333 -1,334 -1.083,335 -0.4,336 -3,337 -0.842,338 -0.197,339 -1.06,340 1.602,341 -0.439,342 -1.403,343 -1.68,344 -0.486,345 -4.004,346 -1.35,347 -0.5,348 -1.347,349 1.486,350 -0.78,351 -1.738,352 -1.927,353 -0.79,354 -4.843,355 -1.65,356 -0.549,357 -1.499,358 1.139,359 -0.807,360 -1.759,361 -2.184,362 -0.805,363 -5.372,364 -1.689,365 7.057,366 0.441,367 0.621,368 0.039,369 18.25,370 1.141,371 8,372 0.5,373 10.25,374 0.641,375 10.849,376 0.678,377 18.743,378 0.721,379 13.196,380 0.825,381 3.888,382 0.243,383 3.577,384 0.224,385 0.178,386 0.071,387 0.269,388 3,390 0.584,391 0.956,392 0.616,393 1.045,394 0.642,395 0.914,396 0.395,397 0.801,398 0.604,399 1.046,400 0.326,401 0.988,402 0.677,403 0.88,404 0.881,405 1.031,406 0.532,407 1.044,408 1.173,409 1.101,410 1.123,411 1.002,412 1.105,413 1.008,414 0.78,415 0.873,416 0.858,417 1.014,418 0.871,419 1.012,420 0.916,421 0.945,422 1.023,423 1.111,424 1.028,425 1.145,426 1.669,427 1.518,428 1.243,429 1.161,430 1.765,431 1.02,432 1.97,433 0.961,434 1.68,435 0.579,436 2.014,437 0.84,438 5,440 2.222,441 1.097,442 0.77,443 0.67,444 0.251,445 0.244,448 1758,449 7452,450 1.944,451 38.5,453 6,454 2,455 2,457 1.553,458 1.761,459 2.745,460 0.573,461 1,462 46.263,463 1.779,464 3.518,465 3.979,466 4.287,467 4.287,468 4.287,469 2.203,470 3.328,471 3.976,472 2.835,473 340.172,474 6.699,475 2907.58,476 1,477 122.211,478 1.772,479 3.881,480 0.294,482 0.089,483 0.052,484 0.043,485 0.042,486 0.021,487 0.03,490 0.571,491 1,492 1,493 1,494 63.625,495 -0.042,496 -0.025,497 0.002,498 0.025,499 -0.119,500 0.04,501 0.44,502 0.221,503 0.191,504 -0.017,505 0.494,506 -0.051,507 -0.073,508 -0.146,509 -0.053,510 -0.124,511 0.02,512 -0.08,513 -0.231,514 -0.163,515 -0.159,516 -0.047,517 -0.169,518 -0.041,519 0.085,521 0.109,522 -0.051,523 -0.025,524 -0.004,525 0.055,526 -0.014,527 -0.023,528 -0.164,529 -0.046,530 -0.169,531 -0.304,532 -0.415,533 -0.036,534 -0.207,535 -0.339,536 -0.039,537 -0.151,538 0.339,539 -0.281,540 0.262,541 -0.093,542 0.005,543 5.578,544 4.452,545 0.688,546 8.438,547 1.049,548 1.177,549 2.94,550 8.641,551 0.64,552 2.89,553 3.258,554 3.401,555 3.584,556 3.714,557 3.689,558 3.714,559 3.611,560 3.434,561 2.944,562 4.093,563 0.648,564 229.23,565 2.89,566 4.443,567 5.263,568 6.151,569 6.997,570 7.88,571 8.736,572 9.617,573 10.477,574 11.355,575 11.5,576 1,579 1,580 1,583 4,585 2,586 6,592 26,593 7,594 1,595 17,596 27,597 10,598 6,599 2,600 4,602 2,603 2,605 1,607 1,608 1,609 1,610 7,611 3,613 1,616 1,617 1,618 1,619 3,620 10,621 6,622 2,623 6,625 3,626 1,627 1,630 1,631 1,635 1,637 2,642 3,643 16,644 1,646 2,651 1,652 1,653 3,658 9.083,659 4.495,660 3.361,661 1.424,662 1.475,663 1.254,664 0.983,665 2.703,666 7.289,667 3.091,668 3.651,669 4.082,670 4.56,671 4.999,672 5.106,673 5.395,674 5.4,675 5.448,676 5.183,677 1,678 21,679 6.266,680 3.06,681 8.641,682 10.525,683 8.499,684 3.141,685 50.25,686 0.001,688 94.169,689 58.575,690 52.562,693 44.88,695 58.575,696 94.169,697 97.442,699 37.537,700 37.905,701 2.328,702 70.487,704 94.169,705 7.76,706 94.169,707 111.137,708 44.88,710 94.169,711 44.88,712 61.96,713 49.177,716 139.049,717 52.562,718 58.575,719 101.928,720 12.91,721 40.907,723 94.441,724 94.169,725 97.442,726 58.575,727 0.603,728 0.321,729 0.154,730 0.083,731 13,732 6,733 0.037,734 1,736 1,737 2.74,738 106.416,740 11,741 59.245,743 11.119,744 3.89,745 2.427,747 97.442,748 5.05,750 -0.263,751 32.897,752 250.186,753 21,756 3.942,757 0.442,758 27.262,759 30.59,760 0.379,761 0.748,762 0.847,763 0.912,764 0.912,765 0.912,766 4.363,767 -0.574,768 5.333,769 1.655,770 3.932,771 4.331,772 3.163,773 6.192,774 3.779,775 5.599,776 -0.759,777 6.942,778 -1.421,779 3.892,780 4.248,781 3.933,782 7.486,783 3.496,784 6.933,785 -0.88,786 8.669,787 -1.902,788 5.659,789 6.435,790 5.434,791 10.429,792 5.312,793 8.299,794 -1,795 10.465,796 -2.451,797 6.365,798 7.049,799 6.693,800 12.475,801 5.767,802 9.694,803 -1,804 12.305,805 -3,806 7.731,807 8.814,808 8.059,809 15.056,810 7.137,811 11.107,812 -1.403,813 14.174,814 -3,815 8.721,816 9.747,817 9.389,818 17.357,819 7.914,820 12.534,821 -1.738,822 16.063,823 -4.004,824 9.958,825 11.321,826 10.734,827 19.84,828 9.1,829 3.325,830 -1.759,831 17.968,832 -4.843,833 11.062,834 12.425,835 12.074,836 22.234,837 10.026,838 2.879,839 11.701,840 19.883,841 -5.372,842 12.257,843 13.903,844 13.417,845 24.691,846 11.136,847 2.268,848 9.177,849 21.808,850 3.898,851 13.408,852 15.106,853 14.758,854 27.12,855 12.13,856 1.715,857 6.224,858 23.738,859 3.326,860 14.594,861 16.53,862 16.1,863 29.572,864 13.209,865 1.172,866 4.819,867 25.674,868 2.914,869 15.765,870 17.793,871 17.441,872 32.016,873 14.238,874 1.048,875 3.189,876 27.614,877 2.146,878 16.951,879 19.188,880 18.783,881 34.47,882 15.305,883 0.675,884 2.463,885 29.558,886 1.608,887 18.132,888 20.486,889 20.124,890 36.921,891 16.351,892 1850,893 3918,894 10.633,895 16.637,896 26.673,897 25.323,898 26.407,899 26.43,900 26.165,901 31.878,902 11.002,903 78.456,904 24.155,905 5.322,906 6.461,907 6.66,908 5.21,909 5.325,910 6.898,911 5.335,912 18.743,913 4.935,914 9.021,915 1.569,916 1.49,917 1.553,918 1.555,919 1.539,920 1.875,921 0.647,922 4.615,923 1.421,924 3.976,925 4.018,926 3.933,927 3.873,928 8.513,929 3.879,930 3.725,931 3.787,932 3.657,933 3.537,934 7.999,935 3.554,936 3.306,937 3.354,938 3.31,939 3.009,940 7.999,941 3.061,942 2.974,943 3.098,944 2.812,945 2.749,946 5.139,947 2.748,948 2.824,949 2.905,950 2.634,951 2.583,952 4.706,953 2.589,954 2.581,955 2.657,956 2.469,957 2.275,958 4.29,959 2.328,960 2.306,961 2.447,962 2.093,963 1.981,964 3.6,965 1.971,966 2.256,967 2.407,968 1.912,969 1.802,970 3.494,971 1.828,972 0.263,973 0.262,974 0.419,975 0.246,976 0.196,977 4.466,978 0.229,979 4.461,980 0.225,981 7.118,982 0.688,983 4.19,984 0.173,985 3.325,986 3.898,987 3.825,988 11.701,989 2.935,990 1.904,991 1.878,992 1.999,993 2.01,994 1.141,995 2.005,996 1.517,997 1.448,998 1.76,999 1.729,1000 1.025,1001 1.74,1002 1.252,1003 1.177,1004 1.413,1005 1.582,1006 0.411,1007 1.533,1008 1.062,1009 1.011,1010 1.205,1011 1.39,1012 0.261,1013 1.316,1014 0.779,1015 0.702,1016 1.08,1017 1.044,1018 0.108,1019 1.066,1020 0.447,1021 0.363,1022 0.899,1023 0.856,1025 0.868,1026 0.4,1027 0.242,1028 0.642,1029 0.751,1031 0.763,1034 0.402,1035 0.399,1037 0.434,1038 3.555,1039 4.905,1040 2.398,1041 6.425,1042 4.595,1043 8.017,1044 6.555,1045 9.648,1048 37.357,1049 5.472,1051 1.101,1056 1.477,1057 -4.328,1058 16.848,1059 46.263,1060 91.457,1061 103.457,1062 111.457,1063 111.457,1064 111.457,1065 31.527,1066 5.814,1067 41.62,1068 41.62,1069 11,1070 11.896,1071 3,1072 2.322,1073 25.903,1074 39,1075 36,1076 0.345,1077 104.175,1078 186.59,1079 245.947,1080 1845,1081 11.5,1082 11.759,1083 0.735,1084 0.521,1085 9.259,1086 8.329,1087 7.465,1088 0.439,1089 0.279,1090 4.62,1091 6.971,1092 4.591,1093 3.749,1094 6.254,1095 4.744,1096 7.668,1097 0.307,1098 0.141,1099 5.71,1100 3.513,1101 5.342,1102 0.184,1103 0.079,1104 4.379,1105 2.3,1106 4.122,1107 0.118,1108 0.043,1109 3.588,1110 1.505,1111 3.121,1112 0.078,1113 0.023,1114 2.575,1115 0.906,1116 0.515,1117 48.314,1118 0.307,1119 15.892,1120 1.019,1121 84,1122 436.936,1123 106.568,1124 342.029,1125 434.95,1126 314,1127 96,1128 301.011,1129 112.443,1130 283.161,1131 429.28,1132 265,1133 4.602}
{0 CHEMBL380864,1 1.272,2 13.941,3 5.961,4 35.538,5 133.171,6 8.509,7 0.615,8 4.076,9 4.143,10 3.773,11 3.775,12 5.28,13 3.762,14 4.552,15 4.635,16 4.159,17 4.161,18 5.766,19 4.144,20 4.836,21 4.965,22 4.262,23 4.28,24 6.03,25 4.254,26 4.844,27 4.981,28 4.173,29 4.219,30 6.11,31 4.179,32 4.786,33 4.953,34 4.026,35 4.17,36 5.949,37 4.103,38 4.69,39 4.861,40 3.913,41 4.091,42 5.83,43 4.013,44 4.603,45 4.77,46 3.843,47 4.014,48 5.71,49 3.938,50 4.566,51 4.753,52 3.74,53 3.939,54 5.615,55 3.852,56 0.016,57 0.509,58 7.171,59 4.288,60 6.229,61 4.836,62 0.032,63 0.848,64 12.472,65 7.13,66 11.887,67 7.984,68 0.204,69 1.226,70 21.255,71 10.304,72 36.408,73 11.402,74 0.484,75 1.26,76 22.777,77 10.507,78 58.086,79 11.323,80 0.274,81 1.23,82 22.773,83 10.458,84 48.059,85 12.121,86 0.221,87 1.117,88 20.413,89 9.546,90 47.622,91 11.329,92 0.172,93 1.016,94 18.236,95 8.689,96 33.89,97 10.414,98 0.185,99 1.007,100 18.813,101 8.666,102 30.083,103 10.645,104 5,105 56,106 0.206,107 0.403,108 0.543,109 0.717,110 0.803,111 0.815,112 3.561,113 0.841,114 -5.96,115 -5.81,116 -5.41,117 57.7,126 2,128 2,129 16,130 6,131 2,133 2,139 21,140 12,144 28,146 10,150 24,152 2,153 12,157 22,160 9,164 25,167 7,170 25,173 7,177 23,180 6,183 19,186 5,189 18,191 2000,192 23.532,193 23.532,194 23.532,195 23.532,196 23.532,197 20.173,198 15.522,199 13.749,200 23.686,201 19.29,202 19.29,203 19.29,204 19.29,205 19.29,206 14.1,207 19.897,208 6.539,209 19.563,210 4.428,211 3.203,212 2.339,213 1.262,214 0.731,215 0.654,216 4.285,219 1,220 1077,221 2.449,223 570.788,224 312.4,225 2.187,226 31.854,228 0.75,229 0.67,230 1,231 0.4,233 1,234 1,235 0.69,236 72,237 474,238 4.469,239 3.597,240 6.524,241 4.094,242 3.114,243 4.088,244 0.86,245 10.267,246 3.058,247 4.45,248 3.596,249 6.52,250 4.077,251 3.097,252 4.043,253 0.86,254 10.245,255 3.041,256 4.28,257 3.059,258 6.237,259 3.904,260 2.904,261 3.922,263 9.368,264 2.903,265 4.073,266 3.014,267 6.072,268 3.674,269 2.683,270 3.64,271 8.778,272 2.654,273 3.877,274 2.83,275 5.955,276 3.495,277 2.511,278 3.294,279 8.394,280 2.467,281 3.463,282 2.647,283 5.063,284 3.024,285 2.015,286 2.797,287 5.788,288 2.02,289 3.418,290 2.549,291 5.063,292 3.018,293 2.012,294 2.669,295 5.788,296 2.009,297 3.261,298 1.971,299 4.684,300 2.795,301 1.828,302 2.477,303 5.057,304 1.757,305 3.003,306 1.754,307 4.467,308 2.539,309 1.579,310 2.162,311 4.366,312 1.504,313 2.884,314 1.535,315 4.16,316 2.415,317 1.432,318 2.047,319 3.53,320 1.401,321 2.833,322 1.394,323 3.692,324 2.32,325 1.33,326 1.953,327 2.978,328 1.315,329 2.669,330 1.315,331 3.659,332 2.166,333 1.167,334 1.709,336 2.906,337 1.164,338 2.574,339 1.307,340 3.576,341 2.084,342 1.079,343 1.596,345 2.543,346 1.083,347 2.5,348 1.154,349 3.568,350 2,351 1,352 1.5,354 2.32,355 1,356 2.451,357 1.057,358 3.462,359 1.923,360 0.923,361 1.348,363 2.275,364 0.916,365 16.333,366 0.48,367 0.777,368 0.023,369 52,370 1.529,371 31,372 0.912,373 21,374 0.618,375 22.736,376 0.669,377 32.267,378 0.621,379 41.337,380 1.216,381 10.511,382 0.309,383 6.142,384 0.181,385 0.041,387 0.367,390 0.645,391 0.847,392 0.634,393 0.831,394 0.558,395 0.752,396 0.799,397 1.049,398 0.786,399 1.03,400 0.612,401 0.931,402 1.182,403 1.022,404 0.934,405 1.003,406 0.92,407 0.941,408 1.259,409 1.021,410 1.106,411 1.019,412 1.039,413 1.032,414 1.089,415 0.953,416 1.058,417 0.959,418 1.113,419 0.994,420 0.941,421 0.985,422 1.067,423 0.998,424 1.201,425 1.043,426 0.866,427 1.034,428 1.053,429 1.046,430 0.887,431 1.074,432 0.83,433 0.983,434 1.023,435 0.996,436 0.681,437 1.034,438 6,439 0.103,440 4.222,441 2,442 2.098,443 1.375,444 0.526,445 0.372,446 0.389,447 0.219,448 19679,449 52855,450 2.216,451 34.6,453 18,457 1.755,458 2.125,459 3.749,460 -0.875,462 66.157,463 1.272,464 2.497,465 3.362,466 4.439,467 4.97,468 5.047,469 3.212,470 4.572,471 5.061,472 3.923,473 2200.79,474 8.847,475 34113.9,477 296.423,478 1.221,479 5.041,480 0.154,481 0.003,482 0.075,483 0.033,484 0.04,485 0.029,486 0.013,487 0.01,488 0.011,489 0.007,490 0.375,491 0.33,492 0.75,493 0.39,494 183.81,495 -0.006,496 0.003,497 0.051,498 0.01,499 -0.067,500 0.034,501 -0.008,502 -0.172,503 -0.032,504 -0.163,505 -0.007,506 -0.114,507 -0.081,508 -0.065,509 -0.006,510 -0.057,511 -0.034,512 -0.027,513 0.033,514 -0.038,515 -0.123,516 -0.053,517 0.031,518 -0.102,519 -0.11,520 0.039,521 -0.053,522 0.036,523 -0.06,524 0.008,525 -0.085,527 -0.077,528 -0.005,529 -0.105,530 -0.033,531 -0.059,532 -0.058,533 -0.079,534 -0.06,535 -0.071,536 -0.071,537 -0.042,538 0.016,540 0.017,541 -0.014,542 0.016,543 1.733,544 5.515,545 0.941,546 37.578,547 1.005,548 1.088,549 4.731,550 22.383,551 0.744,552 3.689,553 4.043,554 4.369,555 4.663,556 4.949,557 5.037,558 5.209,559 5.338,560 5.513,561 5.591,562 8.085,563 0.723,564 442.48,565 3.689,566 5.252,567 6.129,568 7.022,569 7.909,570 8.805,571 9.695,572 10.592,573 11.483,574 12.38,583 16,585 8,586 24,587 2,590 2,592 52,593 28,594 4,595 39,596 57,597 30,598 24,599 8,600 16,601 6,602 6,603 8,610 30,613 4,614 2,615 2,617 4,620 18,621 4,623 4,627 0.667,628 4,631 6,632 2,633 4,637 4,643 34,648 2,654 7.7,656 2,657 2,658 16,659 9.667,660 7.278,661 3.132,662 5.463,663 1.61,664 1.063,665 4.887,666 14.424,667 4.025,668 4.654,669 5.288,670 5.877,671 6.458,672 6.741,673 7.215,674 7.624,675 8.092,676 8.457,677 1,678 60,679 12.58,680 5.583,681 7.765,682 23.848,683 20.205,684 2.265,685 77,688 211.88,689 220.927,692 72.29,695 220.927,696 284.169,700 170.572,701 71.044,702 51.6,704 211.88,706 211.88,707 220.927,708 72.29,710 211.88,711 72.29,713 191.487,714 29.439,716 211.88,717 72.29,718 220.927,719 211.88,720 50.354,721 170.572,723 72.29,724 211.88,725 72.29,726 220.927,727 0.588,728 0.355,729 0.199,730 0.111,731 30,732 12,733 0.053,734 3,735 2,736 1.125,737 4.59,738 334.99,739 0.125,740 32,741 166.974,743 20.258,744 8.203,745 3.752,747 72.29,748 30.191,750 5.901,752 505.096,753 55,754 24.963,755 3.061,757 0.927,758 52.262,759 56.574,760 0.223,761 0.438,762 0.59,763 0.779,764 0.872,765 0.885,766 5.268,767 1.828,768 6.116,769 5.788,770 4.727,771 5.342,772 1.376,773 6.95,774 4.7,775 6.491,776 1.579,777 7.686,778 5.057,779 4.29,780 5.056,782 7.861,783 4.257,784 7.805,785 1.432,786 9.355,787 4.366,788 6.344,789 7.541,790 1.159,791 10.977,792 6.289,793 9.154,794 1.33,795 11.082,796 3.53,797 6.735,798 8.065,800 12.697,801 6.672,802 10.533,803 1.167,804 12.846,805 2.978,806 8.24,807 9.995,808 0.963,809 15.306,810 8.159,811 11.934,812 1.079,813 14.634,814 2.906,815 9.016,816 10.918,818 17.354,819 8.923,820 13.351,821 1,822 16.439,823 2.543,824 10.292,825 12.588,826 0.787,827 19.777,828 10.183,829 3.114,830 0.923,831 18.255,832 2.32,833 11.249,834 13.722,836 21.966,837 11.125,838 3.097,839 10.267,840 20.08,841 2.275,842 12.428,843 15.259,844 0.634,845 24.317,846 12.288,847 2.904,848 10.245,849 21.912,850 4.088,851 13.47,852 16.506,854 26.57,855 13.314,856 2.683,857 9.368,858 23.749,859 4.043,860 14.61,861 17.974,862 0.504,863 28.895,864 14.438,865 2.511,866 8.778,867 25.59,868 3.922,869 15.692,870 19.285,872 31.178,873 15.503,874 2.015,875 8.394,876 27.434,877 3.64,878 16.817,879 20.716,880 0.395,881 33.493,882 16.612,883 2.012,884 5.788,885 29.28,886 3.294,887 17.919,888 22.062,890 35.792,891 17.696,892 17657,893 29104,894 27.046,895 38.671,896 60.164,897 62.044,898 60.33,899 59.193,900 59.158,901 81.139,902 3.44,903 173.743,904 58.379,905 5.33,906 5.597,907 6.206,908 5.191,909 5.114,910 7.088,911 1.72,912 17.157,913 5.058,914 11.165,915 1.543,916 1.591,917 1.547,918 1.518,919 1.517,920 2.08,921 0.088,922 4.455,923 1.497,924 4.075,925 4.088,926 4.034,927 4.016,928 7.43,929 4.017,930 3.98,931 3.987,932 3.944,933 3.899,934 7.426,935 3.907,936 3.912,937 3.93,938 3.863,939 3.854,940 4.943,941 3.854,942 3.756,943 3.783,944 3.692,945 3.71,946 4.876,947 3.702,948 3.461,949 3.48,950 3.395,951 3.361,952 4.752,953 3.367,954 3.4,955 3.422,956 3.326,957 3.285,958 4.595,959 3.29,960 3.025,961 3.036,962 2.981,963 2.901,964 4.366,965 2.91,966 2.982,967 3.004,968 2.913,969 2.832,970 4.3,971 2.839,972 0.115,973 0.092,974 0.167,975 0.105,976 0.08,977 4.469,978 0.105,979 3.597,980 0.022,981 6.524,982 0.263,983 4.094,984 0.078,985 3.114,986 4.088,987 0.86,988 10.267,989 3.058,990 2.024,991 2.01,992 2.105,993 2.095,994 1.23,995 2.096,996 1.949,997 1.938,998 2.031,999 2.046,1000 1.123,1001 2.039,1002 1.901,1003 1.884,1004 1.997,1005 1.981,1006 1.087,1007 1.987,1008 1.769,1009 1.744,1010 1.887,1011 1.839,1012 0.986,1013 1.856,1014 1.432,1015 1.413,1016 1.554,1017 1.564,1018 0.627,1019 1.561,1020 1.368,1021 1.345,1022 1.511,1023 1.516,1024 0.55,1025 1.514,1026 0.978,1027 0.956,1028 1.181,1029 1.142,1030 0.251,1031 1.137,1032 0.939,1033 0.905,1034 1.166,1035 1.126,1036 0.218,1037 1.129,1038 4.369,1039 5.714,1041 7.269,1043 8.916,1045 10.607,1053 11.956,1058 37.6,1059 66.157,1060 129.854,1061 174.813,1062 230.813,1063 258.423,1064 262.423,1065 54.115,1066 8.961,1067 60.42,1068 60.42,1069 36,1070 12.905,1071 4.858,1072 4.087,1073 45.41,1074 168,1075 146,1076 0.131,1077 223.327,1078 402.72,1079 536.678,1080 122607,1082 23.07,1083 0.679,1084 0.53,1085 23.07,1086 18.025,1087 16.653,1088 0.427,1089 0.28,1090 10.843,1091 16.283,1092 10.627,1093 8.765,1094 16.653,1095 10.927,1096 15.196,1097 0.271,1098 0.145,1099 15.196,1100 8.1,1101 13.529,1102 0.173,1103 0.076,1104 13.529,1105 5.919,1106 11.812,1107 0.112,1108 0.04,1109 11.812,1110 4.171,1111 10.036,1112 0.072,1113 0.021,1114 10.036,1115 2.947,1116 0.21,1117 102.706,1118 0.192,1119 31.743,1120 0.345,1121 190,1122 544.942,1123 202.622,1124 530.269,1125 739.98,1126 498,1127 229,1128 559.818,1129 242.289,1130 567.158,1131 837.86,1132 538,1133 4}
{0 CHEMBL383336,1 1.272,2 13.735,3 5.961,4 35.538,5 133.171,6 8.509,7 0.615,8 4.076,9 4.143,10 3.773,11 3.775,12 5.28,13 3.762,14 4.552,15 4.635,16 4.159,17 4.161,18 5.766,19 4.144,20 4.836,21 4.965,22 4.262,23 4.28,24 6.029,25 4.254,26 4.844,27 4.981,28 4.186,29 4.224,30 6.1,31 4.187,32 4.788,33 4.947,34 4.1,35 4.197,36 5.972,37 4.144,38 4.74,39 4.891,40 4.03,41 4.147,42 5.953,43 4.09,44 4.694,45 4.855,46 3.929,47 4.067,48 5.868,49 4.003,50 4.592,51 4.778,52 3.779,53 3.94,54 5.692,55 3.862,56 0.016,57 0.509,58 7.171,59 4.288,60 6.229,61 4.836,62 0.032,63 0.848,64 12.472,65 7.13,66 11.887,67 7.984,68 0.204,69 1.226,70 21.255,71 10.304,72 36.425,73 11.402,74 0.487,75 1.261,76 22.888,77 10.518,78 58.438,79 11.356,80 0.236,81 1.217,82 22.163,83 10.341,84 43.241,85 12.017,86 0.235,87 1.147,88 20.531,89 9.702,90 49.242,91 10.987,92 0.257,93 1.113,94 20.424,95 9.416,96 47.14,97 10.638,98 0.193,99 1.035,100 19.481,101 8.88,102 37.625,103 10.784,104 5,105 56,106 0.206,107 0.403,108 0.551,109 0.733,110 0.854,111 0.89,112 3.561,113 0.841,114 -5.96,115 -5.81,116 -5.41,117 57.7,126 2,128 2,129 16,130 6,131 2,133 2,139 21,140 12,144 28,146 10,150 24,152 2,153 12,157 21,160 11,164 24,167 10,170 24,173 9,177 23,180 4,183 19,185 2,186 5,189 20,191 2000,192 23.532,193 23.532,194 23.532,195 23.532,196 23.532,197 20.173,198 15.522,199 13.809,200 23.686,201 19.307,202 19.307,203 19.307,204 19.307,205 19.307,206 14.106,207 19.897,208 6.601,209 19.58,210 4.428,211 3.203,212 2.289,213 1.164,214 0.414,215 0.192,216 4.285,219 1,220 1059,221 2.449,223 547.427,224 289.782,225 2.206,226 32.899,228 0.75,229 0.67,230 1,231 0.4,233 1,234 1,235 0.69,236 72,237 467,238 4.506,239 3.602,240 6.559,241 4.131,242 3.147,243 4.163,244 0.86,245 10.403,246 3.104,247 4.45,248 3.596,249 6.521,250 4.077,251 3.097,252 4.043,253 0.86,254 10.254,255 3.041,256 4.237,257 3.048,258 6.214,259 3.856,260 2.864,261 3.827,263 9.31,264 2.842,265 4.073,266 3.014,267 6.073,268 3.674,269 2.683,270 3.64,271 8.794,272 2.654,273 3.854,274 2.85,275 5.937,276 3.484,277 2.492,278 3.27,279 8.305,280 2.469,281 3.463,282 2.647,283 5.065,284 3.024,285 2.015,286 2.797,287 5.798,288 2.02,289 3.401,290 2.507,291 5.063,292 2.996,293 1.998,294 2.658,295 5.788,296 1.975,297 3.261,298 1.971,299 4.643,300 2.795,301 1.828,302 2.477,303 4.938,304 1.757,305 3.154,306 1.829,307 4.514,308 2.673,309 1.701,310 2.368,311 4.545,312 1.644,313 2.884,314 1.535,315 4.198,316 2.415,317 1.432,318 2.047,319 3.621,320 1.401,321 2.712,322 1.379,323 3.755,324 2.218,325 1.228,326 1.777,327 2.948,328 1.212,329 2.669,330 1.315,331 3.675,332 2.166,333 1.167,334 1.709,336 2.864,337 1.164,338 2.585,339 1.23,340 3.573,341 2.094,342 1.093,343 1.617,345 2.543,346 1.093,347 2.5,348 1.154,349 3.467,350 2,351 1,352 1.5,354 2.321,355 1,356 2.445,357 1.08,358 3.459,359 1.914,360 0.917,361 1.336,363 2.268,364 0.907,365 16.333,366 0.48,367 0.777,368 0.023,369 52,370 1.529,371 31,372 0.912,373 21,374 0.618,375 22.949,376 0.675,377 32.267,378 0.621,379 41.75,380 1.228,381 10.511,382 0.309,383 6.142,384 0.181,385 0.041,387 0.367,390 0.645,391 0.847,392 0.634,393 0.831,394 0.558,395 0.752,396 0.799,397 1.049,398 0.786,399 1.03,400 0.611,401 0.931,402 1.182,403 1.022,404 0.934,405 1.003,406 0.923,407 0.941,408 1.256,409 0.988,410 1.074,411 0.985,412 1.051,413 0.995,414 1.05,415 0.954,416 0.969,417 0.95,418 1.066,419 0.947,420 1.128,421 1.022,422 1.085,423 1.024,424 1.34,425 1.042,426 1.198,427 1.014,428 1.13,429 1.018,430 1.279,431 1.053,432 0.927,433 1.004,434 1.007,435 1.009,436 0.971,437 1.019,438 6,439 0.202,440 4,441 1.875,442 2.258,443 1.458,444 0.467,445 0.54,446 0.43,447 0.152,448 18959,449 50295,450 2.216,451 34.6,453 18,457 1.757,458 2.125,459 3.727,460 -0.875,462 66.157,463 1.272,464 2.497,465 3.412,466 4.536,467 5.287,468 5.508,469 3.22,470 4.595,471 5.058,472 3.886,473 2180.23,474 8.854,475 33089.2,477 296.423,478 1.221,479 5.041,480 0.154,481 0.007,482 0.071,483 0.031,484 0.042,485 0.029,486 0.01,487 0.013,488 0.012,489 0.005,490 0.373,491 0.33,492 0.75,493 0.39,494 182.674,495 -0.006,496 0.003,497 0.051,498 0.01,499 -0.067,500 0.034,501 -0.008,502 -0.172,503 -0.032,504 -0.163,505 -0.006,506 -0.114,507 -0.081,508 -0.065,509 -0.006,510 -0.057,511 -0.036,512 -0.027,513 0.036,514 -0.005,515 -0.091,516 -0.018,517 0.019,518 -0.064,519 -0.077,520 0.028,521 0.013,522 0.032,523 -0.02,524 0.037,525 -0.117,526 -0.047,527 -0.117,528 -0.052,529 -0.105,530 -0.078,531 -0.138,532 -0.023,533 -0.13,534 -0.03,535 -0.143,536 -0.068,537 -0.04,538 0.001,539 0.032,540 0.007,541 -0.034,542 0.027,543 1.765,544 5.897,545 0.941,546 38.263,547 1.005,548 1.088,549 4.731,550 22.383,551 0.744,552 3.689,553 4.043,554 4.369,555 4.673,556 4.977,557 5.075,558 5.268,559 5.429,560 5.617,561 5.704,562 7.817,563 0.723,564 442.48,565 3.689,566 5.252,567 6.129,568 7.024,569 7.914,570 8.812,571 9.707,572 10.607,573 11.504,574 12.406,583 16,585 8,586 24,587 2,590 2,592 52,593 28,594 4,595 39,596 57,597 30,598 24,599 8,600 16,601 6,602 6,603 8,610 30,613 4,614 2,615 2,617 4,620 18,621 4,623 4,627 0.667,628 4,631 6,632 2,633 4,637 4,643 34,648 2,654 7.7,656 2,657 2,658 16,659 9.667,660 7.278,661 3.132,662 5.284,663 1.59,664 1.063,665 4.887,666 14.235,667 4.025,668 4.654,669 5.288,670 5.883,671 6.479,672 6.772,673 7.26,674 7.697,675 8.174,676 8.554,677 1,678 60,679 12.593,680 5.599,681 7.765,682 23.848,683 20.205,684 2.265,685 77,688 211.88,689 220.927,692 72.29,695 220.927,696 284.169,700 170.572,701 71.044,702 51.6,704 211.88,706 211.88,707 220.927,708 72.29,710 211.88,711 72.29,713 191.487,714 29.439,716 211.88,717 72.29,718 220.927,719 211.88,720 50.354,721 170.572,723 72.29,724 211.88,725 72.29,726 220.927,727 0.587,728 0.352,729 0.198,730 0.113,731 30,732 12,733 0.053,734 3,735 2,736 1.125,737 4.552,738 338.958,739 0.125,740 32,741 168.974,743 20.258,744 8.203,745 3.752,747 72.29,748 30.08,750 5.569,752 505.096,753 55,754 25.434,755 3.045,757 0.857,758 52.262,759 56.574,760 0.223,761 0.438,762 0.598,763 0.796,764 0.927,765 0.966,766 5.268,767 1.828,768 6.116,769 5.788,770 4.727,771 5.342,772 1.376,773 6.952,774 4.7,775 6.491,776 1.701,777 7.686,778 4.938,779 4.29,780 5.056,782 7.861,783 4.257,784 7.805,785 1.432,786 9.355,787 4.545,788 6.344,789 7.541,790 1.159,791 10.986,792 6.289,793 9.154,794 1.228,795 11.083,796 3.621,797 6.735,798 8.065,800 12.705,801 6.672,802 10.533,803 1.167,804 12.848,805 2.948,806 8.242,807 9.996,808 0.963,809 15.323,810 8.161,811 11.934,812 1.093,813 14.637,814 2.864,815 9.019,816 10.922,818 17.374,819 8.927,820 13.352,821 1,822 16.442,823 2.543,824 10.298,825 12.594,826 0.787,827 19.805,828 10.189,829 3.147,830 0.917,831 18.26,832 2.321,833 11.259,834 13.733,836 22,837 11.136,838 3.097,839 10.403,840 20.087,841 2.268,842 12.442,843 15.274,844 0.634,845 24.359,846 12.303,847 2.864,848 10.254,849 21.92,850 4.163,851 13.489,852 16.529,854 26.619,855 13.335,856 2.683,857 9.31,858 23.758,859 4.043,860 14.633,861 18.002,862 0.504,863 28.952,864 14.464,865 2.492,866 8.794,867 25.601,868 3.827,869 15.721,870 19.322,872 31.243,873 15.536,874 2.015,875 8.305,876 27.447,877 3.64,878 16.852,879 20.76,880 0.395,881 33.567,882 16.651,883 1.998,884 5.798,885 29.296,886 3.27,887 17.96,888 22.116,890 35.875,891 17.743,892 17071,893 27976,894 27.046,895 38.671,896 60.181,897 62.1,898 60.03,899 59.171,900 59.138,901 81.107,902 3.44,903 173.671,904 58.36,905 5.364,906 5.602,907 6.361,908 5.229,909 5.147,910 7.163,911 1.72,912 17.298,913 5.104,914 10.907,915 1.543,916 1.592,917 1.539,918 1.517,919 1.516,920 2.08,921 0.088,922 4.453,923 1.496,924 4.082,925 4.092,926 4.044,927 4.021,928 7.43,929 4.023,930 3.974,931 3.982,932 3.938,933 3.895,934 7.426,935 3.902,936 3.893,937 3.917,938 3.835,939 3.844,940 4.945,941 3.839,942 3.779,943 3.801,944 3.72,945 3.72,946 4.871,947 3.717,948 3.468,949 3.485,950 3.407,951 3.366,952 4.737,953 3.373,954 3.385,955 3.409,956 3.311,957 3.279,958 4.638,959 3.282,960 3.008,961 3.023,962 2.952,963 2.861,964 4.372,965 2.87,966 2.99,967 3.008,968 2.931,969 2.846,970 4.257,971 2.856,972 0.116,973 0.092,974 0.168,975 0.106,976 0.081,977 4.506,978 0.107,979 3.602,980 0.022,981 6.559,982 0.267,983 4.131,984 0.08,985 3.147,986 4.163,987 0.86,988 10.403,989 3.104,990 2.027,991 2.015,992 2.101,993 2.101,994 1.232,995 2.099,996 1.946,997 1.934,998 2.036,999 2.041,1000 1.123,1001 2.035,1002 1.895,1003 1.873,1004 2,1005 1.966,1006 1.088,1007 1.98,1008 1.777,1009 1.757,1010 1.883,1011 1.861,1012 0.982,1013 1.869,1014 1.435,1015 1.418,1016 1.555,1017 1.568,1018 0.621,1019 1.564,1020 1.361,1021 1.336,1022 1.507,1023 1.499,1024 0.557,1025 1.501,1026 0.955,1027 0.927,1028 1.181,1029 1.139,1030 0.241,1031 1.136,1032 0.941,1033 0.913,1034 1.168,1035 1.128,1036 0.218,1037 1.13,1038 4.369,1039 5.714,1041 7.269,1043 8.917,1045 10.611,1053 12.016,1058 37.6,1059 66.157,1060 129.854,1061 177.403,1062 235.894,1063 274.913,1064 286.423,1065 55.154,1066 8.95,1067 60.42,1068 60.42,1069 36,1070 12.928,1071 4.858,1072 4.087,1073 45.316,1074 161,1075 160,1076 0.137,1077 223.327,1078 402.72,1079 536.678,1080 116113,1082 23.07,1083 0.679,1084 0.53,1085 23.07,1086 18.025,1087 16.653,1088 0.427,1089 0.28,1090 10.843,1091 16.283,1092 10.627,1093 8.766,1094 16.653,1095 10.927,1096 15.208,1097 0.272,1098 0.145,1099 15.208,1100 8.104,1101 13.484,1102 0.173,1103 0.076,1104 13.484,1105 5.9,1106 11.771,1107 0.111,1108 0.039,1109 11.771,1110 4.179,1111 10.19,1112 0.071,1113 0.021,1114 10.19,1115 2.991,1116 0.218,1117 102.706,1118 0.192,1119 31.577,1120 0.367,1121 190,1122 544.942,1123 202.622,1124 530.334,1125 740,1126 498,1127 229,1128 559.818,1129 242.289,1130 567.295,1131 838.14,1132 538,1133 4}
{0 CHEMBL439687,1 1.272,2 14.353,3 5.961,4 35.538,5 133.171,6 8.509,7 0.615,8 4.076,9 4.143,10 3.773,11 3.775,12 5.28,13 3.762,14 4.552,15 4.635,16 4.159,17 4.161,18 5.766,19 4.144,20 4.836,21 4.965,22 4.262,23 4.28,24 6.029,25 4.254,26 4.844,27 4.981,28 4.186,29 4.224,30 6.095,31 4.187,32 4.788,33 4.947,34 4.119,35 4.198,36 5.981,37 4.15,38 4.746,39 4.893,40 4.057,41 4.14,42 6.013,43 4.093,44 4.689,45 4.843,46 3.901,47 4.02,48 5.923,49 3.963,50 4.513,51 4.703,52 3.676,53 3.822,54 5.604,55 3.748,56 0.016,57 0.509,58 7.171,59 4.288,60 6.229,61 4.836,62 0.032,63 0.848,64 12.472,65 7.13,66 11.887,67 7.984,68 0.204,69 1.226,70 21.255,71 10.304,72 36.425,73 11.402,74 0.487,75 1.261,76 22.888,77 10.518,78 58.391,79 11.356,80 0.221,81 1.217,82 22.163,83 10.349,84 40.341,85 12.1,86 0.238,87 1.15,88 20.627,89 9.692,90 50.896,91 10.787,92 0.311,93 1.105,94 20.558,95 9.251,96 59.281,97 9.872,98 0.211,99 0.966,100 18.621,101 8.257,102 40.902,103 9.845,104 5,105 56,106 0.206,107 0.403,108 0.551,109 0.675,110 0.71,111 0.71,112 3.561,113 0.841,114 -5.96,115 -5.81,116 -5.41,117 57.7,126 2,128 2,129 16,130 6,131 2,133 2,139 21,140 12,144 28,146 10,150 24,152 2,153 12,157 20,160 12,164 22,167 12,170 22,173 10,177 22,183 16,185 4,186 4,189 19,191 2000,192 23.532,193 23.532,194 23.532,195 23.532,196 23.532,197 20.173,198 15.522,199 13.826,200 23.686,201 19.307,202 19.307,203 19.307,204 19.307,205 19.307,206 14.106,207 19.897,208 6.63,209 19.58,210 4.428,211 3.203,212 2.289,213 1.52,214 1.308,215 1.308,216 4.285,219 1,220 1106,221 2.449,223 555.488,224 288.395,225 2.298,226 33.477,228 0.75,229 0.67,230 1,231 0.4,233 1,234 1,235 0.69,236 72,237 488,238 4.527,239 3.607,240 6.579,241 4.153,242 3.166,243 4.2,244 0.86,245 10.474,246 3.128,247 4.45,248 3.596,249 6.529,250 4.077,251 3.097,252 4.043,253 0.86,254 10.29,255 3.041,256 4.187,257 3.017,258 6.15,259 3.798,260 2.813,261 3.737,263 9.117,264 2.767,265 4.073,266 3.014,267 6.071,268 3.674,269 2.683,270 3.64,271 8.782,272 2.654,273 3.871,274 2.877,275 5.968,276 3.522,277 2.517,278 3.308,279 8.374,280 2.528,281 3.463,282 2.647,283 5.067,284 3.024,285 2.015,286 2.797,287 5.803,288 2.02,289 3.376,290 2.489,291 5.063,292 2.964,293 1.978,294 2.658,295 5.791,296 1.931,297 3.261,298 1.971,299 4.586,300 2.795,301 1.828,302 2.477,303 4.818,304 1.757,305 3.258,306 1.899,307 4.526,308 2.768,309 1.791,310 2.477,311 4.608,312 1.743,313 2.884,314 1.535,315 4.332,316 2.415,317 1.432,318 2.047,319 3.971,320 1.401,321 2.678,322 1.373,323 3.759,324 2.182,325 1.187,326 1.723,327 2.881,328 1.178,329 2.669,330 1.315,331 3.75,332 2.166,333 1.167,334 1.709,336 2.859,337 1.164,338 2.5,339 1.18,340 3.465,341 2,342 1,343 1.5,345 2.341,346 1,347 2.5,348 1.154,349 3.461,350 2,351 1,352 1.5,354 2.317,355 1,356 2.453,357 1,358 3.247,359 1.933,360 0.939,361 1.352,363 2.136,364 0.925,365 16.333,366 0.48,367 0.777,368 0.023,369 52,370 1.529,371 31,372 0.912,373 21,374 0.618,375 22.873,376 0.673,377 32.267,378 0.621,379 41.674,380 1.226,381 10.511,382 0.309,383 6.142,384 0.181,385 0.041,387 0.367,390 0.645,391 0.847,392 0.634,393 0.831,394 0.558,395 0.752,396 0.799,397 1.049,398 0.786,399 1.03,400 0.611,401 0.931,402 1.182,403 1.022,404 0.934,405 1.003,406 0.922,407 0.941,408 1.256,409 0.988,410 1.074,411 0.985,412 1.064,413 0.995,414 1.03,415 0.954,416 0.924,417 0.946,418 1.043,419 0.923,420 1.227,421 1.041,422 1.072,423 1.035,424 1.478,425 1.028,426 1.494,427 1.033,428 1.238,429 1.034,430 1.747,431 1.079,432 1.086,433 0.982,434 1.03,435 0.983,436 1.235,437 0.994,438 6,439 0.14,440 4,441 1.75,442 2.338,443 1.597,444 0.565,445 0.514,446 0.515,447 0.131,448 19279,449 50551,450 2.216,451 34.6,453 18,457 1.756,458 2.125,459 3.766,460 -0.875,462 66.157,463 1.272,464 2.497,465 3.412,466 4.181,467 4.393,468 4.393,469 3.22,470 3.735,471 5.054,472 3.933,473 2206.31,474 8.842,475 33644.1,477 296.423,478 1.221,479 5.041,480 0.154,481 0.005,482 0.071,483 0.029,484 0.043,485 0.031,486 0.012,487 0.013,488 0.016,489 0.004,490 0.378,491 0.33,492 0.75,493 0.39,494 183.202,495 -0.006,496 0.003,497 0.051,498 0.01,499 -0.067,500 0.034,501 -0.008,502 -0.172,503 -0.032,504 -0.163,505 -0.006,506 -0.114,507 -0.081,508 -0.065,509 -0.006,510 -0.057,511 -0.036,512 -0.027,513 0.036,514 -0.005,515 -0.091,516 -0.018,517 0.006,518 -0.064,519 -0.057,520 0.028,521 0.058,522 0.036,523 0.003,524 0.061,525 -0.121,526 -0.063,527 -0.098,528 -0.064,529 -0.076,530 -0.074,531 -0.213,532 -0.031,533 -0.214,534 -0.044,535 -0.236,536 -0.112,537 -0.07,538 0.04,539 0.044,540 0.046,541 -0.124,542 0.061,543 1.783,544 5.87,545 0.941,546 41.772,547 1.005,548 1.088,549 4.731,550 22.383,551 0.744,552 3.689,553 4.043,554 4.369,555 4.673,556 4.99,557 5.106,558 5.308,559 5.493,560 5.707,561 5.808,562 8.021,563 0.723,564 442.48,565 3.689,566 5.252,567 6.129,568 7.024,569 7.915,570 8.815,571 9.712,572 10.615,573 11.515,574 12.42,583 16,585 8,586 24,587 2,590 2,592 52,593 28,594 4,595 39,596 57,597 30,598 24,599 8,600 16,601 6,602 6,603 8,610 30,613 4,614 2,615 2,617 4,620 18,621 4,623 4,627 0.667,628 4,631 6,632 2,633 4,637 4,643 34,648 2,654 7.7,656 2,657 2,658 16,659 9.667,660 7.278,661 3.132,662 5.029,663 1.563,664 1.063,665 4.887,666 13.969,667 4.025,668 4.654,669 5.288,670 5.883,671 6.489,672 6.8,673 7.297,674 7.753,675 8.259,676 8.653,677 0.9,678 60,679 12.6,680 5.608,681 7.765,682 23.848,683 20.205,684 2.265,685 77,688 211.88,689 220.927,692 72.29,695 220.927,696 284.169,700 170.572,701 71.044,702 51.6,704 211.88,706 211.88,707 220.927,708 72.29,710 211.88,711 72.29,713 191.487,714 29.439,716 211.88,717 72.29,718 220.927,719 211.88,720 50.354,721 170.572,723 72.29,724 211.88,725 72.29,726 220.927,727 0.587,728 0.351,729 0.196,730 0.113,731 30,732 12,733 0.053,734 3,735 2,736 1.125,737 4.574,738 338.174,739 0.125,740 32,741 130.974,743 20.258,744 8.203,745 3.752,747 72.29,748 30.051,750 5.35,752 505.096,753 55,754 25.74,755 3.031,757 0.83,758 52.262,759 56.574,760 0.223,761 0.438,762 0.598,763 0.733,764 0.771,765 0.771,766 5.268,767 1.828,768 6.116,769 5.791,770 4.727,771 5.342,772 1.376,773 6.952,774 4.7,775 6.491,776 1.791,777 7.686,778 4.818,779 4.29,780 5.056,782 7.861,783 4.257,784 7.805,785 1.432,786 9.355,787 4.608,788 6.344,789 7.541,790 1.159,791 10.986,792 6.289,793 9.154,794 1.187,795 11.083,796 3.971,797 6.735,798 8.065,800 12.706,801 6.672,802 10.533,803 1.167,804 12.848,805 2.881,806 8.242,807 9.996,808 0.963,809 15.327,810 8.161,811 11.934,812 1,813 14.637,814 2.859,815 9.019,816 10.922,818 17.379,819 8.927,820 13.352,821 1,822 16.443,823 2.341,824 10.299,825 12.595,826 0.787,827 19.815,828 10.19,829 3.166,830 0.939,831 18.261,832 2.317,833 11.261,834 13.736,836 22.013,837 11.139,838 3.097,839 10.474,840 20.088,841 2.136,842 12.446,843 15.279,844 0.634,845 24.377,846 12.308,847 2.813,848 10.29,849 21.921,850 4.2,851 13.496,852 16.538,854 26.642,855 13.342,856 2.683,857 9.117,858 23.76,859 4.043,860 14.643,861 18.015,862 0.504,863 28.98,864 14.474,865 2.517,866 8.782,867 25.604,868 3.737,869 15.734,870 19.34,872 31.278,873 15.55,874 2.015,875 8.374,876 27.451,877 3.64,878 16.868,879 20.783,880 0.395,881 33.608,882 16.67,883 1.978,884 5.803,885 29.301,886 3.308,887 17.981,888 22.146,890 35.922,891 17.767,892 17367,893 28300,894 27.046,895 38.671,896 60.276,897 62.09,898 59.804,899 59.217,900 59.203,901 81.201,902 3.44,903 173.816,904 58.424,905 5.382,906 5.607,907 6.381,908 5.252,909 5.166,910 7.2,911 1.72,912 17.369,913 5.128,914 10.757,915 1.546,916 1.592,917 1.533,918 1.518,919 1.518,920 2.082,921 0.088,922 4.457,923 1.498,924 4.087,925 4.096,926 4.052,927 4.023,928 7.43,929 4.028,930 3.963,931 3.974,932 3.925,933 3.89,934 7.426,935 3.894,936 3.884,937 3.91,938 3.821,939 3.839,940 4.947,941 3.831,942 3.797,943 3.816,944 3.738,945 3.73,946 4.864,947 3.731,948 3.493,949 3.504,950 3.441,951 3.382,952 4.731,953 3.393,954 3.348,955 3.375,956 3.273,957 3.256,958 4.662,959 3.255,960 3.004,961 3.02,962 2.945,963 2.848,964 4.401,965 2.858,966 2.992,967 3.007,968 2.935,969 2.847,970 4.183,971 2.857,972 0.116,973 0.092,974 0.169,975 0.106,976 0.081,977 4.527,978 0.108,979 3.607,980 0.022,981 6.579,982 0.269,983 4.153,984 0.08,985 3.166,986 4.2,987 0.86,988 10.474,989 3.128,990 2.029,991 2.019,992 2.097,993 2.106,994 1.232,995 2.101,996 1.943,997 1.928,998 2.04,999 2.032,1000 1.124,1001 2.031,1002 1.89,1003 1.866,1004 2.005,1005 1.958,1006 1.089,1007 1.976,1008 1.786,1009 1.769,1010 1.879,1011 1.878,1012 0.979,1013 1.88,1014 1.449,1015 1.435,1016 1.56,1017 1.586,1018 0.623,1019 1.576,1020 1.335,1021 1.309,1022 1.485,1023 1.461,1024 0.551,1025 1.47,1026 0.95,1027 0.921,1028 1.181,1029 1.139,1030 0.223,1031 1.135,1032 0.942,1033 0.915,1034 1.181,1035 1.119,1036 0.218,1037 1.115,1038 4.369,1039 5.714,1041 7.269,1043 8.917,1045 10.612,1053 11.998,1058 37.6,1059 66.157,1060 129.854,1061 177.403,1062 217.403,1063 228.423,1064 228.423,1065 55.86,1066 8.94,1067 60.42,1068 60.42,1069 36,1070 12.94,1071 4.858,1072 4.087,1073 45.402,1074 165,1075 160,1076 0.135,1077 223.327,1078 402.72,1079 536.678,1080 109762,1082 23.07,1083 0.679,1084 0.53,1085 23.07,1086 18.025,1087 16.653,1088 0.427,1089 0.28,1090 10.843,1091 16.283,1092 10.627,1093 8.766,1094 16.653,1095 10.927,1096 15.208,1097 0.272,1098 0.145,1099 15.208,1100 8.104,1101 13.499,1102 0.173,1103 0.076,1104 13.499,1105 5.904,1106 11.695,1107 0.11,1108 0.039,1109 11.695,1110 4.161,1111 10.224,1112 0.07,1113 0.021,1114 10.224,1115 2.998,1116 0.215,1117 102.706,1118 0.192,1119 31.711,1120 0.359,1121 190,1122 544.942,1123 202.622,1124 530.334,1125 740,1126 498,1127 229,1128 559.818,1129 242.289,1130 567.297,1131 838.16,1132 538,1133 4}
{0 CHEMBL535346,1 1.386,2 11.75,3 5.107,4 26.079,5 102.258,6 7.381,7 0.654,8 3.887,9 4.006,10 3.496,11 3.565,12 4.944,13 3.48,14 4.403,15 4.563,16 3.813,17 3.961,18 5.398,19 3.834,20 4.701,21 4.923,22 3.851,23 4.089,24 5.618,25 3.924,26 4.712,27 4.95,28 3.697,29 4.03,30 5.573,31 3.832,32 4.716,33 4.99,34 3.621,35 3.958,36 5.483,37 3.728,38 4.626,39 4.907,40 3.545,41 3.823,42 5.425,43 3.588,44 4.435,45 4.699,46 3.383,47 3.66,48 5.406,49 3.456,50 4.248,51 4.484,52 3.269,53 3.549,54 5.218,55 3.394,56 0.041,57 0.655,58 10.114,59 4.726,60 8.199,61 6.113,62 0.079,63 1.088,64 19.643,65 8.604,66 17.358,67 10.789,68 0.165,69 1.444,70 29.45,71 11.983,72 31.338,73 14.827,74 0.167,75 1.416,76 29.215,77 11.821,78 31.839,79 15.008,80 0.159,81 1.355,82 30.088,83 11.859,84 30.919,85 15.445,86 0.198,87 1.306,88 30.602,89 11.187,90 31.321,91 13.896,92 0.269,93 1.178,94 25.867,95 9.553,96 46.239,97 11.173,98 0.154,99 0.956,100 18.331,101 7.271,102 28.28,103 8.844,104 6,105 34,106 0.238,107 0.536,108 0.707,109 0.842,110 0.859,111 0.874,112 3.227,113 1.075,114 -6.78,115 -6.59,116 -6.11,117 45.7,119 2,120 1,123 2,129 11,130 3,131 2,135 1,136 1,137 1,139 16,143 1,144 23,145 1,149 2,150 20,151 2,156 3,157 13,158 3,163 2,164 10,165 2,169 1,170 9,171 1,177 10,182 2,183 11,184 2,188 2,189 13,190 2,191 788,192 16.577,193 16.577,194 16.577,195 16.577,196 16.577,197 14.559,198 9.139,199 10.043,200 16.862,201 12.786,202 12.786,203 12.786,204 12.786,205 12.786,206 9.84,207 4.995,208 4.699,209 13.272,210 4.138,211 2.405,212 1.409,213 0.625,214 0.522,215 0.435,216 3.915,218 1,219 1,220 607,221 3.24,223 226.159,224 118.501,225 1.625,226 16.044,228 0.75,229 0.83,230 0.83,231 0.6,232 0.5,233 0.83,234 1,235 0.76,236 50,237 282,238 4.406,239 4.407,240 6.183,241 3.912,242 2.923,243 4.336,244 2.95,245 9.226,246 2.893,247 4.123,248 3.102,249 6.132,250 3.844,251 2.849,252 3.674,254 8.992,255 2.835,256 3.649,257 2.928,258 5.257,259 3.262,260 2.323,261 3.056,263 6.678,264 2.175,265 3.6,266 2.808,267 5.043,268 3.203,269 2.288,270 2.874,271 6.087,272 2.067,273 3.118,274 2.63,275 4.415,276 2.618,277 1.644,278 2.427,279 4.372,280 1.618,281 2.911,282 1.674,283 4.334,284 2.614,285 1.618,286 2.098,287 4.132,288 1.582,289 2.821,290 1.618,291 3.639,292 2.412,293 1.428,294 1.869,295 3.063,296 1.4,297 2.5,298 1.457,299 3.546,300 2.236,301 1.282,302 1.5,303 2.786,304 1.208,305 2.414,306 1.046,307 3.414,308 2,309 1,310 1.407,311 2.275,312 1,313 2.173,314 1,315 3.173,316 1.708,317 0.731,318 1.031,319 1.641,320 0.708,321 1.619,322 0.853,323 2.915,324 1.439,325 0.525,326 0.568,327 1.02,328 0.472,329 1.27,330 0.593,331 2.499,332 1.018,333 0.103,334 0.114,336 0.177,337 0.093,338 1.059,339 0.443,340 2.374,341 0.686,342 -0.244,343 -0.294,345 -0.549,346 -0.219,347 0.882,348 0.098,349 2.146,350 0.431,351 -0.502,352 -0.616,354 -1.062,355 -0.456,356 0.762,357 -0.618,358 2,359 0.382,360 -0.618,361 -0.927,363 -1.596,364 -0.618,365 12.019,366 0.501,367 0.414,368 0.017,369 30,370 1.25,371 16.5,372 0.688,373 13.5,374 0.563,375 19.679,376 0.82,377 25.181,378 0.547,379 18.728,380 0.78,381 5.595,382 0.233,383 6.163,384 0.257,385 0.057,387 0.25,389 1,390 0.625,391 0.826,392 0.795,393 0.835,394 0.653,395 0.883,396 0.648,397 0.974,398 1.068,399 1.092,400 0.588,401 1.06,402 0.852,403 0.965,404 1.123,405 1.076,406 0.793,407 1.012,408 0.761,409 0.986,410 1.138,411 1.132,412 0.752,413 1.147,414 0.456,415 0.832,416 0.984,417 1,418 0.467,419 1.022,420 0.795,421 0.927,422 1.164,423 1.081,424 0.81,425 0.972,426 1.372,427 0.996,428 1.35,429 1.116,430 1.338,431 0.967,432 1.535,433 1.085,434 1.121,435 1.01,436 1.528,437 1.013,438 4,439 0.132,440 2.444,441 0.938,442 0.978,443 0.41,444 0.303,445 0.193,446 0.135,447 0.123,448 7350,449 18600,450 2.089,451 47.8,452 2,453 15,454 2,456 3,457 1.661,458 2,459 3.519,460 0.173,462 63.738,463 1.386,464 3.118,465 4.115,466 4.898,467 5.002,468 5.089,469 2.903,470 3.887,471 4.562,472 3.665,473 1011.42,474 7.828,475 12666.4,477 254.084,478 1.189,479 4.536,480 0.154,481 0.007,482 0.072,483 0.028,484 0.036,485 0.018,486 0.015,487 0.01,488 0.007,489 0.006,490 0.354,491 0.5,492 0.88,493 0.681,494 117.308,495 -0.042,496 0.119,497 0.05,498 0.115,499 -0.057,500 0.079,501 -0.026,502 -0.041,503 -0.07,504 -0.062,505 0.026,506 -0.072,507 -0.034,508 -0.013,509 -0.054,510 -0.028,511 0.01,512 -0.014,513 -0.056,514 -0.094,515 -0.128,516 -0.128,517 -0.055,518 -0.159,519 0.022,520 -0.048,521 0.035,522 -0.004,523 -0.006,524 -0.025,525 0.017,526 -0.024,527 0.04,528 0.009,529 -0.029,530 0.035,531 0.038,532 0.133,533 -0.082,534 0.016,535 0.045,536 0.036,537 -0.147,538 0.04,539 -0.125,540 -0.024,541 -0.138,542 -0.044,543 1.86,544 5.025,545 0.667,546 20.472,547 0.987,548 1.116,549 5.552,550 30.826,551 0.695,552 3.296,553 3.555,554 3.784,555 3.97,556 4.174,557 4.094,558 4.094,559 4.078,560 4.078,561 3.97,562 6.87,563 0.639,564 339.51,565 3.296,566 4.796,567 5.617,568 6.457,569 7.292,570 8.136,571 8.976,572 9.821,573 10.663,574 11.508,575 2.2,576 1,582 2,583 11,585 3,586 17,591 1,592 46,593 17,594 3,595 26,596 48,597 21,598 16,599 5,600 11,602 3,603 4,605 1,609 2,610 16,611 5,612 1,619 1,620 22,621 2,622 2,623 3,624 1,625 1,627 0.667,631 3,632 1,635 1,637 2,638 1,639 1,642 1,643 24,644 1,646 4,649 1,650 1,653 1,658 12,659 7.893,660 5.472,661 2.807,662 3.107,663 1.452,664 0.996,665 5.897,666 9.983,667 3.57,668 4.143,669 4.714,670 5.267,671 5.839,672 5.947,673 6.196,674 6.452,675 6.703,676 6.169,677 0.875,678 34,679 8.885,680 3.697,681 7.646,682 17.375,683 14.353,684 2.146,685 51.5,687 1,688 235.422,689 163.536,690 32.897,693 14.96,694 32.22,695 131.316,696 235.422,697 47.857,699 40.972,700 104.239,702 19.003,703 14.96,704 267.642,706 235.422,707 164.214,708 14.96,709 32.22,710 215.069,711 35.313,712 40.972,713 123.242,715 32.22,716 250.382,717 32.897,718 163.536,719 235.422,720 59.297,721 104.239,723 47.857,724 235.422,725 47.857,726 163.536,727 0.563,728 0.329,729 0.174,730 0.096,731 15,732 6,733 0.146,734 7,735 1,736 1.125,737 3.796,738 179.756,739 0.125,740 16,741 106.039,742 1,743 17.007,744 8.321,745 4.601,746 2.565,747 47.857,748 21.78,750 2.246,751 32.897,752 446.815,753 34.5,758 45.411,759 51.325,760 0.251,761 0.565,762 0.745,763 0.887,764 0.906,765 0.921,766 4.756,767 1.282,768 5.557,769 3.063,770 4.234,771 4.828,772 2.913,773 6.286,774 4.171,775 5.931,776 1,777 7.062,778 2.786,779 3.611,780 4.477,782 7.034,783 3.509,784 7.208,785 0.731,786 8.667,787 2.275,788 5.746,789 7.02,790 5.027,791 10.082,792 5.643,793 8.523,794 0.525,795 10.332,796 1.641,797 5.969,798 7.534,800 11.681,801 5.844,802 9.871,803 0.103,804 12.037,805 1.02,806 7.52,807 9.512,808 7.185,809 14.207,810 7.398,811 11.243,812 -0.244,813 13.769,814 0.177,815 8.157,816 10.464,818 16.154,819 8.027,820 12.633,821 -0.502,822 15.52,823 -0.549,824 9.444,825 12.178,826 9.348,827 18.491,828 9.315,829 2.923,830 -0.618,831 17.285,832 -1.062,833 10.291,834 13.368,836 20.586,837 10.16,838 2.849,839 9.226,840 19.062,841 -1.596,842 11.454,843 14.949,844 11.511,845 22.849,846 11.323,847 2.323,848 8.992,849 20.846,850 4.336,851 12.408,852 16.267,854 25.009,855 12.275,856 2.288,857 6.678,858 22.637,859 3.674,860 13.514,861 17.784,862 13.675,863 27.241,864 13.379,865 1.644,866 6.087,867 24.432,868 3.056,869 14.521,870 19.171,872 29.43,873 14.384,874 1.618,875 4.372,876 26.232,877 2.874,878 15.601,879 20.657,880 15.838,881 31.65,882 15.46,883 1.428,884 4.132,885 28.035,886 2.427,887 16.635,888 22.079,890 33.851,891 16.49,892 7041,893 11290,894 17.682,895 31.966,896 37.477,897 40.63,898 38.565,899 37.455,900 37.429,901 49.909,902 5.9,903 100.898,904 36.102,905 5.33,906 6.407,907 5.876,908 5.007,909 4.923,910 7.336,911 5.9,912 15.535,913 4.893,914 9.127,915 1.441,916 1.563,917 1.483,918 1.441,919 1.44,920 1.92,921 0.227,922 3.881,923 1.389,924 4.078,925 4.097,926 4.105,927 4.053,928 8.201,929 4.038,930 3.952,931 3.985,932 3.889,933 3.885,934 5.011,935 3.881,936 3.649,937 3.703,938 3.756,939 3.579,940 4.895,941 3.532,942 3.48,943 3.524,944 3.446,945 3.415,946 4.619,947 3.39,948 3.333,949 3.416,950 3.21,951 3.181,952 4.319,953 3.154,954 3.048,955 3.102,956 2.958,957 2.962,958 4.012,959 2.945,960 2.948,961 3.037,962 2.855,963 2.749,964 3.85,965 2.716,966 2.854,967 2.925,968 2.774,969 2.735,970 3.674,971 2.715,972 0.169,973 0.17,974 0.238,975 0.15,976 0.112,977 4.406,978 0.167,979 4.407,980 0.113,981 6.183,982 0.355,983 3.912,984 0.111,985 2.923,986 4.336,987 2.95,988 9.226,989 2.893,990 2.067,991 2.05,992 2.144,993 2.112,994 1.383,995 2.129,996 1.938,997 1.909,998 2.068,999 2.033,1000 1.282,1001 2.046,1002 1.654,1003 1.606,1004 1.852,1005 1.798,1006 1.068,1007 1.826,1008 1.484,1009 1.449,1010 1.645,1011 1.615,1012 0.839,1013 1.647,1014 1.33,1015 1.256,1016 1.601,1017 1.538,1018 0.692,1019 1.565,1020 1.067,1021 1.02,1022 1.286,1023 1.21,1024 0.447,1025 1.25,1026 0.912,1027 0.821,1028 1.246,1029 1.173,1030 0.354,1031 1.206,1032 0.886,1033 0.821,1034 1.181,1035 1.062,1036 0.218,1037 1.107,1038 3.97,1039 5.242,1041 6.718,1043 8.285,1045 9.898,1048 13.025,1049 5.898,1051 3.793,1054 1.885,1055 0.308,1058 29.387,1059 63.738,1060 143.447,1061 189.275,1062 225.329,1063 230.084,1064 234.084,1065 39.274,1066 6.876,1067 26.02,1068 51.32,1069 18,1070 12.07,1071 4.17,1072 3.248,1073 39.638,1074 102,1075 86,1076 0.188,1077 185.734,1078 316.54,1079 444.95,1080 9252,1081 2.2,1082 16.778,1083 0.699,1084 0.602,1085 16.261,1086 14.437,1087 11.758,1088 0.452,1089 0.358,1090 8.379,1091 11.091,1092 8.093,1093 6.716,1094 11.819,1095 9.318,1096 9.956,1097 0.293,1098 0.21,1099 9.944,1100 7.152,1101 8.337,1102 0.194,1103 0.125,1104 8.543,1105 5.393,1106 6.603,1107 0.127,1108 0.074,1109 7.037,1110 3.854,1111 5.399,1112 0.084,1113 0.045,1114 5.807,1115 2.854,1116 0.307,1117 76.311,1118 0.238,1119 24.098,1120 0.486,1121 120,1122 320.284,1123 146.807,1124 317.026,1125 428.63,1126 298,1127 137,1128 291.813,1129 157.279,1130 308.275,1131 445.71,1132 292,1133 4.854}
{0 CHEMBL536933,1 1.357,2 12.478,3 5.597,4 31.326,5 100.051,6 6.766,7 0.5,8 3.923,9 4.057,10 3.444,11 3.551,12 4.918,13 3.45,14 4.464,15 4.656,16 3.732,17 3.934,18 5.375,19 3.782,20 4.753,21 5,22 3.752,23 4.057,24 5.6,25 3.863,26 4.787,27 5.056,28 3.559,29 4,30 5.558,31 3.774,32 4.775,33 5.071,34 3.472,35 3.926,36 5.472,37 3.692,38 4.701,39 4.993,40 3.369,41 3.832,42 5.448,43 3.599,44 4.576,45 4.863,46 3.328,47 3.701,48 5.485,49 3.484,50 4.467,51 4.759,52 3.275,53 3.609,54 5.277,55 3.374,56 0.051,57 0.715,58 11.961,59 5.368,60 8.173,61 7.075,62 0.1,63 1.164,64 22.59,65 9.526,66 18.252,67 12.192,68 0.181,69 1.477,70 31.616,71 12.533,72 31.417,73 15.841,74 0.191,75 1.442,76 32.025,77 12.431,78 31.197,79 16.171,80 0.171,81 1.34,82 30.267,83 11.701,84 28.229,85 15.862,86 0.193,87 1.307,88 30.263,89 11.21,90 27.092,91 14.501,92 0.28,93 1.232,94 25.299,95 9.53,96 46.674,97 12.311,98 0.208,99 1.084,100 24.628,101 8.85,102 31.461,103 11.159,104 11,105 30,106 0.234,107 0.531,108 0.711,109 0.817,110 0.845,111 0.845,112 3.186,113 1.165,114 -6.72,115 -6.53,116 -6.06,117 40.8,118 1,119 4,120 1,123 2,129 8,130 2,131 2,135 1,136 1,137 1,139 14,143 1,144 19,145 1,149 2,150 16,151 2,156 3,157 10,158 3,163 3,164 11,165 3,169 1,170 10,171 1,177 9,182 1,183 8,184 1,189 8,191 770,192 15.629,193 15.629,194 15.629,195 15.629,196 15.629,197 14.102,198 11.564,199 9.636,200 15.915,201 11.781,202 11.781,203 11.781,204 11.781,205 11.781,206 9.6,207 6.465,208 4.534,209 12.271,210 4.258,211 2.531,212 1.485,213 0.873,214 0.709,215 0.709,216 3.853,218 1,219 1,220 594,221 3.464,223 183.209,225 1.807,226 15.537,228 0.75,229 0.83,230 0.67,231 0.8,232 1,233 0.83,234 1,235 0.84,236 48,237 287,238 4.123,239 4.406,240 6.132,241 3.844,242 2.85,243 3.674,244 2.95,245 8.992,246 2.835,247 4.011,248 3.101,249 5.412,250 3.573,251 2.619,252 3.614,254 7.154,255 2.511,256 3.602,257 2.813,258 5.043,259 3.26,260 2.312,261 2.875,263 6.088,264 2.177,265 3.426,266 2.806,267 4.889,268 3.055,269 2.12,270 2.708,271 5.696,272 1.95,273 2.874,274 2.466,275 4.337,276 2.749,277 1.763,278 1.911,279 4.159,280 1.732,281 2.634,282 1.76,283 3.756,284 2.451,285 1.483,286 1.643,287 3.374,288 1.426,289 2.5,290 1.468,291 3.414,292 2.004,293 1.069,294 1.5,295 2.275,296 1,297 2.5,298 1,299 3.414,300 2,301 1,302 1.5,303 2.275,304 1,305 2.123,306 1,307 3.267,308 2,309 1,310 1.11,311 2.208,312 0.984,313 1.552,314 0.911,315 2.755,316 1.408,317 0.494,318 0.512,319 0.928,320 0.443,321 1.28,322 0.758,323 2.491,324 1.067,325 0.135,326 0.147,327 0.229,328 0.124,329 1.095,330 0.537,331 2.197,332 0.812,333 -0.134,334 -0.155,336 -0.285,337 -0.123,338 0.786,339 0.089,340 2,341 0.538,342 -0.387,343 -0.443,345 -0.78,346 -0.349,347 0.5,348 -0.291,349 2,350 0.18,351 -0.762,352 -0.818,354 -1.603,355 -0.712,356 0.5,357 -0.536,358 1.728,360 -1,361 -1.288,363 -2.782,364 -1,365 11.519,366 0.501,367 0.4,368 0.017,369 25,370 1.087,371 12.5,372 0.543,373 12.5,374 0.543,375 21.499,376 0.935,377 25.681,378 0.524,379 14.575,380 0.634,381 4.43,382 0.193,383 6.756,384 0.294,385 0.103,387 0.217,389 1,390 0.646,391 0.94,392 0.873,393 0.951,394 0.666,395 1.014,396 0.643,397 1.027,398 1.077,399 1.131,400 0.566,401 1.108,402 0.849,403 1.019,404 1.131,405 1.116,406 0.791,407 1.06,408 0.741,409 0.989,410 1.124,411 1.128,412 0.722,413 1.118,414 0.439,415 0.821,416 0.87,417 0.936,418 0.443,419 0.977,420 0.791,421 0.958,422 1.123,423 1.082,424 0.79,425 1.011,426 1.279,427 0.973,428 0.96,429 0.916,430 1.301,431 0.99,432 1.321,433 0.966,434 1.089,435 0.968,436 1.352,437 0.939,438 4,439 0.083,440 2.222,441 0.75,442 0.724,443 0.438,444 0.283,445 0.118,446 0.115,447 0.131,448 6548,449 15782,450 1.995,451 53.1,452 9,453 12,454 2,456 3,457 1.647,458 1.89,459 3.591,460 0.193,462 66.471,463 1.357,464 3.084,465 4.13,466 4.742,467 4.905,468 4.905,469 3.029,470 4.002,471 4.498,472 3.755,473 950.123,474 7.69,475 11981.7,477 275.121,478 1.264,479 4.465,480 0.167,481 0.005,482 0.074,483 0.026,484 0.031,485 0.021,486 0.015,487 0.007,488 0.008,489 0.009,490 0.362,491 0.5,492 0.88,493 0.777,494 112.499,495 -0.037,496 0.098,497 0.048,498 0.098,499 -0.047,500 0.06,501 -0.01,502 -0.048,503 -0.036,504 -0.046,505 0.051,506 -0.057,507 -0.026,508 -0.048,509 -0.053,510 -0.051,511 0.015,512 -0.046,513 -0.04,514 -0.096,515 -0.119,516 -0.124,517 -0.036,518 -0.128,519 0.027,520 -0.049,521 0.023,522 -0.013,523 0.008,524 -0.01,525 -0.011,526 -0.073,527 -0.077,528 -0.081,529 -0.033,530 -0.039,531 0.039,532 0.083,533 -0.02,534 0.014,535 0.022,536 -0.041,537 -0.077,538 0.075,539 0.016,540 0.059,541 -0.118,542 0.028,543 1.849,544 4.974,545 0.522,546 21.716,547 0.983,548 1.126,549 5.489,550 30.124,551 0.663,552 3.219,553 3.434,554 3.584,555 3.689,556 3.85,557 3.689,558 3.555,559 3.401,560 3.332,561 3.367,562 7.261,563 0.601,564 331.54,565 3.219,566 4.691,567 5.476,568 6.286,569 7.088,570 7.9,571 8.707,572 9.521,573 10.331,574 11.144,575 2,576 1,583 8,585 4,586 12,591 1,592 49,593 12,594 2,595 24,596 50,597 20,598 12,599 4,600 8,602 2,603 2,605 2,609 4,610 12,611 8,612 1,619 1,620 26,621 2,622 2,623 3,624 1,625 1,627 1,631 2,635 1,637 2,638 1,639 1,640 1,642 1,643 23,644 1,646 6,649 1,650 1,653 1,658 12.167,659 8.643,660 5.361,661 3.105,662 1.851,663 1.294,664 0.951,665 7.64,666 8.152,667 3.434,668 3.912,669 4.35,670 4.773,671 5.257,672 5.028,673 4.865,674 4.717,675 4.581,676 4.646,677 1,678 29,679 8.534,680 3.433,681 7.623,682 16.819,683 13.538,684 2.123,685 48.833,686 0.001,688 282.506,689 147.041,690 32.897,693 14.96,694 32.22,695 114.822,696 282.506,697 47.857,698 8.825,699 46.041,700 75.81,702 17.043,703 14.96,704 314.726,706 282.506,707 147.719,708 14.96,709 32.22,710 262.153,711 35.313,712 54.866,713 92.853,715 32.22,716 297.467,717 32.897,718 147.041,719 282.506,720 62.406,721 84.635,723 47.857,724 282.506,725 47.857,726 147.041,727 0.555,728 0.311,729 0.155,730 0.087,731 11,732 5,733 0.18,734 9,736 1,737 3.72,738 156.172,740 12,741 96.042,742 1,743 18.033,744 9.744,745 6.367,747 47.857,748 15.484,750 3.63,751 32.897,752 477.405,753 30,758 48.178,759 55.156,760 0.242,761 0.549,762 0.736,763 0.845,764 0.874,765 0.874,766 4.605,767 1,768 5.398,769 2.275,770 4.111,771 4.595,772 2.913,773 6.061,774 4.039,775 5.741,776 1,777 6.868,778 2.275,779 3.434,780 4.111,782 6.698,783 3.311,784 6.986,785 0.494,786 8.434,787 2.208,788 5.565,789 6.63,790 5.027,791 9.693,792 5.44,793 8.265,794 0.135,795 10.058,796 0.928,797 5.707,798 6.933,800 11.193,801 5.541,802 9.574,803 -0.134,804 11.722,805 0.229,806 7.261,807 8.928,808 7.185,809 13.672,810 7.101,811 10.903,812 -0.387,813 13.412,814 -0.285,815 7.81,816 9.606,818 15.546,819 7.625,820 12.247,821 -0.762,822 15.124,823 -0.78,824 9.095,825 11.347,826 9.348,827 17.841,828 8.915,829 2.85,830 -1,831 16.851,832 -1.603,833 9.863,834 12.237,836 19.887,837 9.669,838 2.619,839 8.992,840 18.592,841 -2.782,842 11.015,843 13.829,844 11.511,845 22.114,846 10.824,847 2.312,848 7.154,849 20.343,850 3.674,851 11.902,852 14.852,854 24.239,855 11.705,856 2.12,857 6.088,858 22.103,859 3.614,860 12.989,861 16.348,862 13.675,863 26.442,864 12.794,865 1.763,866 5.696,867 23.87,868 2.875,869 13.942,870 17.459,872 28.603,873 13.744,874 1.483,875 4.159,876 25.644,877 2.708,878 14.997,879 18.89,880 15.838,881 30.798,882 14.801,883 1.069,884 3.374,885 27.423,886 1.911,887 15.986,888 20.061,890 32.977,891 15.789,892 6511,893 10210,894 15.89,895 32.489,896 33.752,897 36.88,898 34.838,899 33.74,900 33.689,901 42.387,902 5.9,903 86.753,904 32.362,905 5.07,906 6.406,907 5.959,908 4.928,909 4.85,910 6.674,911 5.9,912 15,913 4.835,914 11.055,915 1.406,916 1.537,917 1.452,918 1.406,919 1.404,920 1.766,921 0.246,922 3.615,923 1.348,924 3.969,925 4.003,926 4.022,927 3.912,928 8.201,929 3.896,930 3.905,931 3.931,932 3.888,933 3.869,934 5.01,935 3.85,936 3.703,937 3.761,938 3.61,939 3.597,940 4.732,941 3.574,942 3.501,943 3.573,944 3.477,945 3.383,946 4.619,947 3.348,948 3.246,949 3.327,950 3.225,951 3.143,952 4.126,953 3.088,954 3.115,955 3.211,956 2.892,957 2.926,958 3.905,959 2.903,960 2.903,961 2.987,962 2.794,963 2.735,964 3.738,965 2.715,966 2.854,967 2.925,968 2.687,969 2.735,970 3.674,971 2.715,972 0.172,973 0.184,974 0.255,975 0.16,976 0.119,977 4.123,978 0.153,979 4.406,980 0.123,981 6.132,982 0.375,983 3.844,984 0.118,985 2.85,986 3.674,987 2.95,988 8.992,989 2.835,990 1.941,991 1.912,992 2.081,993 2.039,994 1.416,995 2.055,996 1.908,997 1.886,998 2.018,999 1.973,1000 1.222,1001 1.999,1002 1.719,1003 1.664,1004 1.935,1005 1.863,1006 1.123,1007 1.893,1008 1.498,1009 1.437,1010 1.736,1011 1.696,1012 0.944,1013 1.718,1014 1.253,1015 1.186,1016 1.538,1017 1.466,1018 0.76,1019 1.514,1020 1.138,1021 1.045,1022 1.495,1023 1.373,1024 0.598,1025 1.423,1026 0.886,1027 0.821,1028 1.208,1029 1.133,1030 0.409,1031 1.171,1032 0.886,1033 0.821,1034 1.181,1035 1.062,1036 0.218,1037 1.107,1038 3.892,1039 5.13,1041 6.555,1043 8.064,1045 9.614,1046 2.115,1048 12.974,1049 5.874,1051 6.484,1054 1.925,1055 0.348,1058 29.44,1059 66.471,1060 151.121,1061 202.366,1062 232.366,1063 240.366,1064 240.366,1065 46.331,1066 6.301,1067 26.02,1068 51.32,1069 12,1070 11.731,1071 3.7,1072 2.807,1073 45.843,1074 102,1075 91,1076 0.214,1077 189.39,1078 327.78,1079 453.87,1080 4420,1081 2,1082 16.493,1083 0.717,1084 0.636,1085 15.977,1086 14.619,1087 11.186,1088 0.466,1089 0.388,1090 8.385,1091 10.519,1092 8.042,1093 6.739,1094 11.246,1095 9.324,1096 9.306,1097 0.31,1098 0.239,1099 9.294,1100 7.163,1101 7.324,1102 0.209,1103 0.149,1104 7.549,1105 5.211,1106 5.341,1107 0.137,1108 0.091,1109 5.757,1110 3.562,1111 4.277,1112 0.093,1113 0.057,1114 4.655,1115 2.636,1116 0.354,1117 72.876,1118 0.251,1119 23.614,1120 0.537,1121 108,1122 286.284,1123 134.807,1124 281.72,1125 373.84,1126 264,1127 119,1128 245.813,1129 139.279,1130 261.149,1131 372.66,1132 246,1133 5.18}
{0 CHEMBL539068,1 1.399,2 10.857,3 4.685,4 21.945,5 90.849,6 7.058,7 0.545,8 3.802,9 3.931,10 3.366,11 3.445,12 4.838,13 3.348,14 4.324,15 4.507,16 3.665,17 3.824,18 5.285,19 3.681,20 4.599,21 4.829,22 3.685,23 3.944,24 5.506,25 3.76,26 4.637,27 4.895,28 3.478,29 3.879,30 5.459,31 3.661,32 4.624,33 4.913,34 3.434,35 3.805,36 5.366,37 3.572,38 4.538,39 4.824,40 3.394,41 3.702,42 5.341,43 3.46,44 4.338,45 4.611,46 3.257,47 3.525,48 5.325,49 3.314,50 4.145,51 4.398,52 3.126,53 3.394,54 5.119,55 3.233,56 0.042,57 0.635,58 10.163,59 4.625,60 7.909,61 6.006,62 0.084,63 1.03,64 19.56,65 8.272,66 17.318,67 10.386,68 0.159,69 1.31,70 27.592,71 10.921,72 30.036,73 13.478,74 0.172,75 1.28,76 28.264,77 10.902,78 30.886,79 13.906,80 0.151,81 1.184,82 26.545,83 10.244,84 28.326,85 13.705,86 0.193,87 1.164,88 28.559,89 9.974,90 28.851,91 12.4,92 0.259,93 1.042,94 23.117,95 8.346,96 44.325,97 9.876,98 0.153,99 0.851,100 17.135,101 6.494,102 26.994,103 7.931,104 11,105 28,106 0.248,107 0.562,108 0.736,109 0.818,110 0.835,111 0.835,112 3.101,113 1.135,114 -6.26,115 -6.1,116 -5.67,117 41.9,118 1,119 2,120 1,123 2,129 8,130 2,131 2,135 1,136 1,137 1,139 12,143 1,144 17,145 1,149 2,150 14,151 2,156 3,157 8,158 3,163 2,164 8,165 2,169 1,170 7,171 1,177 8,182 2,183 8,184 2,188 2,189 10,190 2,191 588,192 14.215,193 14.215,194 14.215,195 14.215,196 14.215,197 12.687,198 11.564,199 8.636,200 14.501,201 10.781,202 10.781,203 10.781,204 10.781,205 10.781,206 8.6,207 6.465,208 4.034,209 11.271,210 4.027,211 2.256,212 1.273,213 0.808,214 0.715,215 0.715,216 3.765,218 1,219 1,220 472,221 3.162,223 160.35,225 1.51,226 15.117,227 1,228 0.75,229 0.83,230 0.83,231 0.8,232 1,233 0.83,234 1,235 0.86,236 44,237 228,238 4.123,239 4.406,240 6.132,241 3.844,242 2.85,243 3.674,244 2.95,245 8.992,246 2.835,247 4.011,248 3.102,249 5.412,250 3.573,251 2.618,252 3.614,254 7.154,255 2.511,256 3.602,257 2.827,258 5.043,259 3.259,260 2.312,261 2.875,263 6.087,264 2.175,265 3.425,266 2.787,267 4.889,268 3.049,269 2.115,270 2.708,271 5.695,272 1.944,273 2.827,274 2.464,275 4.334,276 2.606,277 1.634,278 1.871,279 4.132,280 1.576,281 2.5,282 1.673,283 3.557,284 2.246,285 1.302,286 1.5,287 2.831,288 1.214,289 2.5,290 1.062,291 3.414,292 2,293 1,294 1.5,295 2.275,296 1,297 2.404,298 1,299 3.414,300 2,301 1,302 1.399,303 2.275,304 1,305 1.661,306 1,307 2.908,308 1.49,309 0.596,310 0.621,311 1.148,312 0.521,313 1.293,314 0.838,315 2.495,316 1.072,317 0.148,318 0.161,319 0.245,320 0.134,321 1.104,322 0.585,323 2.241,324 0.794,325 -0.146,326 -0.172,327 -0.313,328 -0.133,329 0.758,330 0.103,331 2,332 0.491,333 -0.425,334 -0.489,336 -0.849,337 -0.381,338 0.5,339 -0.293,340 2,341 0.031,342 -0.906,343 -0.977,345 -2.036,346 -0.837,347 0.5,348 -0.693,349 1.703,351 -1,352 -1.475,354 -3,355 -1,356 0.185,357 -1,358 1.593,360 -1,361 -1.5,363 -3,364 -1,365 10.519,366 0.501,367 0.4,368 0.019,369 24,370 1.143,371 12.5,372 0.595,373 11.5,374 0.548,375 18.077,376 0.861,377 23.081,378 0.537,379 14.246,380 0.678,381 4.43,382 0.211,383 5.756,384 0.274,385 0.113,387 0.238,389 1,390 0.638,391 0.894,392 0.837,393 0.903,394 0.669,395 0.965,396 0.644,397 0.99,398 1.063,399 1.102,400 0.576,401 1.067,402 0.879,403 1.035,404 1.177,405 1.149,406 0.825,407 1.085,408 0.76,409 0.999,410 1.164,411 1.161,412 0.749,413 1.151,414 0.437,415 0.803,416 0.837,417 0.909,418 0.455,419 0.977,420 0.81,421 0.962,422 1.223,423 1.139,424 0.821,425 0.993,426 1.391,427 1.006,428 1.262,429 1.067,430 1.368,431 0.951,432 1.572,433 1.07,434 1.084,435 0.954,436 1.558,437 0.938,438 4,439 0.111,440 2.222,441 0.75,442 0.724,443 0.382,444 0.283,445 0.212,446 0.127,447 0.077,448 4750,449 12120,450 1.995,451 51.2,452 5,453 12,454 2,456 3,457 1.624,458 1.881,459 3.409,460 0.237,462 60.163,463 1.399,464 3.17,465 4.153,466 4.618,467 4.711,468 4.711,469 2.851,470 3.916,471 4.366,472 3.546,473 744.698,474 7.441,475 8438.21,476 1,477 233.329,478 1.322,479 4.328,480 0.182,481 0.009,482 0.079,483 0.028,484 0.034,485 0.02,486 0.017,487 0.013,488 0.008,489 0.005,490 0.396,491 0.5,492 0.88,493 0.819,494 97.943,495 -0.042,496 0.106,497 0.047,498 0.108,499 -0.061,500 0.067,501 -0.012,502 -0.03,503 -0.03,504 -0.029,505 0.043,506 -0.036,507 -0.041,508 -0.059,509 -0.086,510 -0.076,511 -0.002,512 -0.074,513 -0.052,514 -0.11,515 -0.15,516 -0.153,517 -0.052,518 -0.162,519 0.03,520 -0.045,521 0.062,522 0.014,523 0.001,524 -0.006,525 0.006,526 -0.062,527 -0.02,528 -0.05,529 -0.036,530 -0.004,531 0.046,532 0.13,533 -0.052,534 0.029,535 0.051,536 0.032,537 -0.135,538 0.077,539 -0.069,540 0.039,541 -0.115,542 0.032,543 1.857,544 4.942,545 0.571,546 17.238,547 0.986,548 1.124,549 5.033,550 25.336,551 0.674,552 3.135,553 3.367,554 3.526,555 3.638,556 3.807,557 3.638,558 3.526,559 3.434,560 3.367,561 3.434,562 6.312,563 0.614,564 303.48,565 3.135,566 4.615,567 5.407,568 6.225,569 7.033,570 7.851,571 8.664,572 9.483,573 10.298,574 11.117,575 2.3,576 1,583 8,585 4,586 12,591 1,592 43,593 12,594 2,595 22,596 44,597 18,598 12,599 4,600 8,602 2,603 2,605 2,609 2,610 12,611 6,612 1,618 1,619 1,620 22,621 2,622 2,623 3,624 1,625 1,627 1,631 2,635 1,637 2,638 1,639 1,640 1,642 1,643 21,644 1,646 4,649 1,650 1,653 1,658 11.167,659 7.643,660 4.861,661 2.605,662 1.925,663 1.312,664 0.957,665 6.28,666 8.09,667 3.367,668 3.871,669 4.324,670 4.756,671 5.246,672 5.015,673 4.865,674 4.782,675 4.761,676 5.007,677 1,678 27,679 7.777,680 3.147,681 7.683,682 15.186,683 12.205,684 2.183,685 45.833,686 0.001,687 1,688 235.422,689 141.972,690 32.897,693 14.96,694 32.22,695 109.753,696 235.422,697 47.857,698 8.825,699 40.972,700 75.81,702 17.043,703 14.96,704 267.642,706 235.422,707 142.65,708 14.96,709 32.22,710 215.069,711 35.313,712 49.797,713 92.853,715 32.22,716 250.382,717 32.897,718 141.972,719 235.422,720 57.337,721 84.635,723 47.857,724 235.422,725 47.857,726 141.972,727 0.561,728 0.317,729 0.156,730 0.088,731 11,732 5,733 0.159,734 7,736 1,737 3.462,738 141.151,740 12,741 84.239,742 1,743 16.066,744 8.209,745 5.183,747 47.857,748 15.339,750 3.55,751 32.897,752 425.251,753 28,758 42.411,759 48.325,760 0.258,761 0.584,762 0.765,763 0.851,764 0.868,765 0.868,766 4.543,767 1,768 5.342,769 2.275,770 4.043,771 4.554,772 2.913,773 6.023,774 3.966,775 5.695,776 0.596,777 6.825,778 2.275,779 3.434,780 4.111,782 6.698,783 3.311,784 6.951,785 0.148,786 8.403,787 1.148,788 5.517,789 6.614,790 5.027,791 9.681,792 5.386,793 8.238,794 -0.146,795 10.037,796 0.245,797 5.707,798 6.933,800 11.193,801 5.541,802 9.554,803 -0.425,804 11.706,805 -0.313,806 7.232,807 8.923,808 7.185,809 13.669,810 7.067,811 10.888,812 -0.906,813 13.402,814 -0.849,815 7.81,816 9.606,818 15.546,819 7.625,820 12.236,821 -1,822 15.117,823 -2.036,824 9.079,825 11.346,826 9.348,827 17.84,828 8.895,829 2.85,830 -1,831 16.847,832 -3,833 9.863,834 12.237,836 19.887,837 9.669,838 2.618,839 8.992,840 18.589,841 -3,842 11.006,843 13.829,844 11.511,845 22.113,846 10.813,847 2.312,848 7.154,849 20.341,850 3.674,851 11.902,852 14.852,854 24.239,855 11.704,856 2.115,857 6.087,858 22.101,859 3.614,860 12.985,861 16.348,862 13.675,863 26.442,864 12.787,865 1.634,866 5.695,867 23.869,868 2.875,869 13.942,870 17.459,872 28.603,873 13.743,874 1.302,875 4.132,876 25.643,877 2.708,878 14.995,879 18.89,880 15.838,881 30.798,882 14.797,883 1,884 2.831,885 27.423,886 1.871,887 15.986,888 20.061,890 32.977,891 15.787,892 4757,893 7688,894 14.504,895 28.966,896 31.237,897 34.316,898 32.387,899 31.186,900 31.146,901 39.845,902 5.9,903 81.67,904 29.819,905 5.046,906 6.406,907 5.827,908 4.932,909 4.85,910 6.674,911 5.9,912 15.001,913 4.835,914 10.236,915 1.42,916 1.56,917 1.472,918 1.418,919 1.416,920 1.811,921 0.268,922 3.712,923 1.355,924 3.967,925 4,926 4.025,927 3.915,928 8.201,929 3.897,930 3.9,931 3.926,932 3.881,933 3.861,934 5.01,935 3.845,936 3.636,937 3.694,938 3.592,939 3.533,940 4.732,941 3.506,942 3.378,943 3.46,944 3.401,945 3.266,946 4.618,947 3.212,948 3.157,949 3.239,950 3.013,951 3.012,952 4.043,953 2.985,954 2.941,955 3.037,956 2.807,957 2.735,958 3.851,959 2.715,960 2.854,961 2.925,962 2.694,963 2.735,964 3.674,965 2.715,966 2.854,967 2.925,968 2.687,969 2.703,970 3.674,971 2.7,972 0.187,973 0.2,974 0.279,975 0.175,976 0.13,977 4.123,978 0.167,979 4.406,980 0.134,981 6.132,982 0.409,983 3.844,984 0.129,985 2.85,986 3.674,987 2.95,988 8.992,989 2.835,990 1.94,991 1.912,992 2.069,993 2.034,994 1.382,995 2.049,996 1.905,997 1.882,998 2.016,999 1.971,1000 1.149,1001 1.996,1002 1.642,1003 1.589,1004 1.85,1005 1.795,1006 1.051,1007 1.82,1008 1.367,1009 1.301,1010 1.63,1011 1.598,1012 0.832,1013 1.627,1014 1.182,1015 1.105,1016 1.509,1017 1.387,1018 0.609,1019 1.441,1020 0.904,1021 0.821,1022 1.25,1023 1.188,1024 0.435,1025 1.226,1026 0.886,1027 0.821,1028 1.181,1029 1.062,1030 0.218,1031 1.107,1032 0.886,1033 0.806,1034 1.181,1035 1.062,1036 0.218,1037 1.107,1038 3.807,1039 5.056,1041 6.497,1043 8.019,1045 9.579,1046 2.1,1048 12.942,1049 5.852,1051 3.848,1054 1.878,1055 0.323,1058 26.387,1059 60.163,1060 136.31,1061 178.574,1062 198.574,1063 202.574,1064 202.574,1065 39.233,1066 6.165,1067 26.02,1068 51.32,1069 12,1070 11.699,1071 3.7,1072 2.807,1073 39.63,1074 80,1075 74,1076 0.239,1077 170.205,1078 293.18,1079 407.06,1080 3476,1081 2.3,1082 15.079,1083 0.718,1084 0.629,1085 14.562,1086 13.205,1087 10.186,1088 0.463,1089 0.378,1090 7.385,1091 9.519,1092 7.062,1093 5.906,1094 10.246,1095 8.324,1096 8.599,1097 0.307,1098 0.231,1099 8.587,1100 6.456,1101 6.824,1102 0.207,1103 0.143,1104 7.049,1105 4.711,1106 4.988,1107 0.135,1108 0.086,1109 5.387,1110 3.185,1111 4.031,1112 0.092,1113 0.055,1114 4.43,1115 2.417,1116 0.387,1117 66.876,1118 0.263,1119 21.506,1120 0.618,1121 100,1122 278.284,1123 126.807,1124 273.397,1125 362.32,1126 256,1127 111,1128 237.813,1129 131.279,1130 252.826,1131 361.14,1132 238,1133 4.408}
{0 CHEMBL542998,1 1.367,2 12.56,3 5.563,4 30.947,5 106.859,6 7.215,7 0.63,8 3.945,9 4.067,10 3.53,11 3.613,12 4.981,13 3.526,14 4.47,15 4.636,16 3.843,17 4.011,18 5.439,19 3.879,20 4.773,21 5.005,22 3.88,23 4.139,24 5.662,25 3.969,26 4.784,27 5.03,28 3.731,29 4.083,30 5.618,31 3.881,32 4.788,33 5.066,34 3.617,35 4.008,36 5.53,37 3.78,38 4.703,39 4.987,40 3.529,41 3.885,42 5.477,43 3.655,44 4.57,45 4.847,46 3.464,47 3.749,48 5.506,49 3.533,50 4.403,51 4.668,52 3.313,53 3.645,54 5.247,55 3.436,56 0.046,57 0.697,58 11.059,59 5.116,60 8.435,61 6.675,62 0.088,63 1.16,64 21.305,65 9.284,66 18.142,67 11.771,68 0.176,69 1.534,70 31.633,71 12.857,72 32.403,73 16.113,74 0.179,75 1.504,76 31.37,77 12.67,78 32.535,79 16.264,80 0.171,81 1.437,82 32.269,83 12.653,84 31.432,85 16.607,86 0.188,87 1.372,88 30.546,89 11.709,90 29.924,91 14.943,92 0.301,93 1.31,94 28.02,95 10.213,96 50.652,97 12.604,98 0.18,99 1.082,100 24.02,101 9.164,102 29.441,103 10.929,104 6,105 35,106 0.232,107 0.527,108 0.702,109 0.846,110 0.862,111 0.876,112 3.265,113 1.091,114 -7,115 -6.8,116 -6.29,117 44.9,119 3,120 1,123 2,129 11,130 3,131 2,135 1,136 1,137 1,139 17,143 1,144 24,145 1,149 2,150 21,151 2,156 3,157 14,158 3,163 3,164 12,165 3,170 10,176 1,177 10,178 1,183 11,188 2,189 11,190 2,191 902,192 17.284,193 17.284,194 17.284,195 17.284,196 17.284,197 15.266,198 9.139,199 10.543,200 17.569,201 13.286,202 13.286,203 13.286,204 13.286,205 13.286,206 10.34,207 4.995,208 4.949,209 13.772,210 4.248,211 2.508,212 1.476,213 0.628,214 0.531,215 0.449,216 3.954,218 1,219 1,220 675,221 3.391,223 242.568,224 127.128,225 1.773,226 16.265,228 0.75,229 0.83,230 0.83,231 0.6,232 0.5,233 0.83,234 1,235 0.76,236 52,237 314,238 4.406,239 4.407,240 6.183,241 3.911,242 2.923,243 4.336,244 2.95,245 9.226,246 2.893,247 4.123,248 3.101,249 6.132,250 3.844,251 2.85,252 3.674,254 8.992,255 2.835,256 3.648,257 2.929,258 5.257,259 3.261,260 2.318,261 3.056,263 6.678,264 2.177,265 3.602,266 2.808,267 5.043,268 3.208,269 2.297,270 2.875,271 6.087,272 2.07,273 3.118,274 2.634,275 4.415,276 2.69,277 1.713,278 2.427,279 4.371,280 1.664,281 2.913,282 1.718,283 4.336,284 2.618,285 1.618,286 2.098,287 4.15,288 1.618,289 2.846,290 1.618,291 3.696,292 2.427,293 1.454,294 1.892,295 3.206,296 1.409,297 2.545,298 1.46,299 3.603,300 2.353,301 1.372,302 1.548,303 2.97,304 1.336,305 2.5,306 1.301,307 3.414,308 2,309 1,310 1.5,311 2.275,312 1,313 2.195,314 1,315 3.206,316 1.798,317 0.872,318 1.07,319 1.831,320 0.791,321 1.876,322 0.874,323 3.074,324 1.647,325 0.664,326 0.826,327 1.469,328 0.65,329 1.353,330 0.66,331 2.596,332 1.175,333 0.26,334 0.275,336 0.424,337 0.235,338 1.173,339 0.462,340 2.48,341 0.854,342 -0.072,343 -0.083,345 -0.156,346 -0.065,347 0.934,348 0.32,349 2.246,350 0.576,351 -0.359,352 -0.433,354 -0.768,355 -0.325,356 0.882,357 -0.194,358 2,359 0.382,360 -0.618,361 -0.764,363 -1.342,364 -0.588,365 12.519,366 0.501,367 0.414,368 0.017,369 30.5,370 1.22,371 16.5,372 0.66,373 14,374 0.56,375 21.4,376 0.856,377 26.481,378 0.54,379 18.914,380 0.757,381 5.595,382 0.224,383 6.663,384 0.267,385 0.055,387 0.24,389 1,390 0.63,391 0.85,392 0.813,393 0.86,394 0.652,395 0.909,396 0.647,397 0.992,398 1.072,399 1.104,400 0.582,401 1.078,402 0.839,403 0.96,404 1.102,405 1.062,406 0.777,407 1.003,408 0.751,409 0.98,410 1.116,411 1.115,412 0.737,413 1.127,414 0.459,415 0.843,416 1.009,417 1.02,418 0.461,419 1.02,420 0.787,421 0.921,422 1.05,423 1.013,424 0.799,425 0.986,426 1.309,427 0.979,428 1.173,429 1.035,430 1.32,431 0.98,432 1.384,433 1.004,434 1.296,435 1.086,436 1.366,437 0.976,438 4,439 0.099,440 2.444,441 0.938,442 0.978,443 0.465,444 0.262,445 0.161,446 0.148,447 0.107,448 8511,449 20993,450 2.085,451 49,452 4,453 15,454 2,456 3,457 1.671,458 2,459 3.604,460 0.154,462 66.974,463 1.367,464 3.106,465 4.139,466 4.987,467 5.084,468 5.166,469 3.029,470 4.164,471 4.621,472 3.766,473 1129.76,474 7.939,475 14893.2,477 275.121,478 1.164,479 4.597,480 0.148,481 0.005,482 0.07,483 0.027,484 0.035,485 0.019,486 0.012,487 0.008,488 0.008,489 0.006,490 0.339,491 0.5,492 0.88,493 0.663,494 124.884,495 -0.039,496 0.114,497 0.05,498 0.11,499 -0.049,500 0.076,501 -0.023,502 -0.048,503 -0.068,504 -0.065,505 0.032,506 -0.076,507 -0.026,508 -0.008,509 -0.037,510 -0.015,511 0.019,512 -0.001,513 -0.048,514 -0.085,515 -0.109,516 -0.111,517 -0.044,518 -0.137,519 0.018,520 -0.053,522 -0.028,523 -0.002,524 -0.027,525 0.001,526 -0.032,527 0.016,529 -0.034,530 0.002,531 0.049,532 0.109,533 -0.017,534 0.021,535 0.019,536 0.002,537 -0.111,538 0.077,539 -0.084,540 0.022,541 -0.118,542 0.027,543 1.855,544 5.031,545 0.64,546 22.483,547 0.986,548 1.117,549 5.769,550 33.28,551 0.688,552 3.332,553 3.584,554 3.807,555 3.989,556 4.19,557 4.111,558 4.094,559 4.06,560 4.06,561 3.892,562 7.361,563 0.631,564 353.54,565 3.332,566 4.828,567 5.645,568 6.482,569 7.314,570 8.155,571 8.992,572 9.834,573 10.674,574 11.517,575 2,576 1,582 2,583 11,585 3,586 17,591 1,592 49,593 17,594 3,595 27,596 51,597 22,598 16,599 5,600 11,602 3,603 4,605 1,609 3,610 16,611 6,612 1,619 1,620 24,621 2,622 2,623 3,624 1,625 1,627 0.667,631 3,632 1,635 1,637 2,638 1,639 1,642 1,643 25,644 1,646 5,649 1,650 1,653 1,658 12.5,659 8.393,660 5.722,661 3.057,662 3.072,663 1.443,664 0.99,665 6.492,666 10.002,667 3.597,668 4.159,669 4.723,670 5.272,671 5.842,672 5.95,673 6.194,674 6.442,675 6.683,676 6.064,677 1,678 35,679 9.263,680 3.839,681 7.62,682 18.192,683 15.019,684 2.12,685 53,688 258.964,689 166.071,690 32.897,693 14.96,694 32.22,695 133.851,696 258.964,697 47.857,699 43.506,700 104.239,702 19.003,703 14.96,704 291.184,706 258.964,707 166.748,708 14.96,709 32.22,710 238.611,711 35.313,712 43.506,713 123.242,715 32.22,716 273.924,717 32.897,718 166.071,719 258.964,720 61.832,721 104.239,723 47.857,724 258.964,725 47.857,726 166.071,727 0.561,728 0.326,729 0.173,730 0.095,731 15,732 6,733 0.157,734 8,735 1,736 1.125,737 3.923,738 187.446,739 0.125,740 16,741 112.096,742 1,743 17.975,744 9.03,745 5.071,746 2.587,747 47.857,748 21.879,750 2.282,751 32.897,752 472.892,753 35.5,758 48.294,759 54.74,760 0.243,761 0.553,762 0.737,763 0.888,764 0.905,765 0.92,766 4.781,767 1.372,768 5.58,769 3.206,770 4.263,771 4.844,772 2.913,773 6.301,774 4.201,775 5.949,776 1,777 7.079,778 2.97,779 3.611,780 4.477,782 7.034,783 3.509,784 7.222,785 0.872,786 8.679,787 2.275,788 5.765,789 7.026,790 5.027,791 10.086,792 5.664,793 8.533,794 0.664,795 10.34,796 1.831,797 5.969,798 7.534,800 11.681,801 5.844,802 9.879,803 0.26,804 12.042,805 1.469,806 7.531,807 9.514,808 7.185,809 14.208,810 7.41,811 11.248,812 -0.072,813 13.772,814 0.424,815 8.157,816 10.464,818 16.154,819 8.027,820 12.636,821 -0.359,822 15.522,823 -0.156,824 9.45,825 12.178,826 9.348,827 18.491,828 9.322,829 2.923,830 -0.618,831 17.287,832 -0.768,833 10.291,834 13.368,836 20.586,837 10.16,838 2.85,839 9.226,840 19.063,841 -1.342,842 11.457,843 14.949,844 11.511,845 22.849,846 11.327,847 2.318,848 8.992,849 20.847,850 4.336,851 12.408,852 16.267,854 25.009,855 12.276,856 2.297,857 6.678,858 22.637,859 3.674,860 13.515,861 17.784,862 13.675,863 27.241,864 13.381,865 1.713,866 6.087,867 24.432,868 3.056,869 14.521,870 19.171,872 29.43,873 14.384,874 1.618,875 4.371,876 26.232,877 2.875,878 15.602,879 20.657,880 15.838,881 31.65,882 15.462,883 1.454,884 4.15,885 28.035,886 2.427,887 16.635,888 22.079,890 33.851,891 16.491,892 8140,893 12879,894 18.375,895 33.728,896 38.694,897 41.781,898 39.687,899 38.754,900 38.679,901 51.153,902 5.9,903 103.359,904 37.352,905 5.343,906 6.407,907 5.955,908 5.004,909 4.923,910 7.336,911 5.9,912 15.535,913 4.893,914 9.453,915 1.433,916 1.547,917 1.47,918 1.435,919 1.433,920 1.895,921 0.219,922 3.828,923 1.383,924 4.077,925 4.097,926 4.104,927 4.053,928 8.201,929 4.038,930 3.955,931 3.988,932 3.89,933 3.887,934 5.011,935 3.882,936 3.684,937 3.739,938 3.762,939 3.604,940 4.895,941 3.563,942 3.502,943 3.553,944 3.484,945 3.444,946 4.619,947 3.41,948 3.398,949 3.464,950 3.254,951 3.257,952 4.32,953 3.241,954 3.088,955 3.178,956 3.049,957 2.985,958 4.069,959 2.958,960 3.023,961 3.086,962 2.89,963 2.871,964 3.857,965 2.827,966 2.855,967 2.925,968 2.799,969 2.735,970 3.683,971 2.715,972 0.163,973 0.163,974 0.229,975 0.145,976 0.108,977 4.406,978 0.161,979 4.407,980 0.109,981 6.183,982 0.342,983 3.911,984 0.107,985 2.923,986 4.336,987 2.95,988 9.226,989 2.893,990 2.067,991 2.05,992 2.144,993 2.112,994 1.402,995 2.129,996 1.939,997 1.91,998 2.075,999 2.036,1000 1.285,1001 2.051,1002 1.694,1003 1.643,1004 1.9,1005 1.835,1006 1.145,1007 1.866,1008 1.502,1009 1.467,1010 1.693,1011 1.663,1012 0.895,1013 1.689,1014 1.402,1015 1.336,1016 1.616,1017 1.555,1018 0.719,1019 1.586,1020 1.092,1021 1.035,1022 1.407,1023 1.331,1024 0.604,1025 1.375,1026 1.035,1027 0.952,1028 1.281,1029 1.191,1030 0.361,1031 1.226,1032 0.886,1033 0.821,1034 1.181,1035 1.062,1036 0.244,1037 1.107,1038 4.007,1039 5.273,1041 6.742,1043 8.303,1045 9.911,1048 13.031,1049 5.903,1051 5.081,1054 1.911,1055 0.325,1058 30.913,1059 66.974,1060 152.205,1061 202.802,1062 244.366,1063 249.121,1064 253.121,1065 42.242,1066 6.93,1067 26.02,1068 51.32,1069 18,1070 12.08,1071 4.17,1072 3.248,1073 42.241,1074 114,1075 94,1076 0.178,1077 195.326,1078 333.84,1079 468.355,1080 10227,1081 2,1082 17.485,1083 0.699,1084 0.606,1085 16.968,1086 15.144,1087 12.258,1088 0.454,1089 0.364,1090 8.879,1091 11.591,1092 8.583,1093 7.132,1094 12.319,1095 9.818,1096 10.31,1097 0.295,1098 0.214,1099 10.298,1100 7.506,1101 8.587,1102 0.195,1103 0.128,1104 8.793,1105 5.643,1106 6.78,1107 0.128,1108 0.076,1109 7.23,1110 4.054,1111 5.52,1112 0.085,1113 0.045,1114 5.895,1115 2.931,1116 0.293,1117 79.311,1118 0.233,1119 25.137,1120 0.451,1121 124,1122 324.284,1123 150.807,1124 321.187,1125 434.39,1126 302,1127 141,1128 295.813,1129 161.279,1130 312.436,1131 451.47,1132 296,1133 5.62}
{0 CHEMBL545590,1 1.377,2 11.682,3 5.141,4 26.428,5 95.45,6 6.902,7 0.522,8 3.864,9 3.996,10 3.406,11 3.499,12 4.879,13 3.4,14 4.396,15 4.584,16 3.699,17 3.881,18 5.331,19 3.733,20 4.679,21 4.918,22 3.719,23 4.002,24 5.554,25 3.812,26 4.715,27 4.978,28 3.52,29 3.941,30 5.51,31 3.719,32 4.702,33 4.995,34 3.428,35 3.863,36 5.419,37 3.632,38 4.623,39 4.911,40 3.374,41 3.771,42 5.397,43 3.537,44 4.487,45 4.772,46 3.348,47 3.627,48 5.434,49 3.403,50 4.315,51 4.596,52 3.177,53 3.505,54 5.148,55 3.282,56 0.047,57 0.675,58 11.07,59 4.998,60 8.069,61 6.543,62 0.092,63 1.097,64 21.091,65 8.903,66 17.866,67 11.296,68 0.17,69 1.394,70 29.641,71 11.736,72 30.853,73 14.674,74 0.182,75 1.361,76 30.174,77 11.673,78 31.127,79 15.051,80 0.163,81 1.26,82 28.504,83 10.966,84 28.526,85 14.789,86 0.183,87 1.23,88 28.446,89 10.513,90 27.212,91 13.431,92 0.291,93 1.165,94 25.319,95 8.962,96 48.382,97 11.257,98 0.177,99 0.961,100 22.433,101 8.243,102 27.852,103 9.796,104 11,105 29,106 0.24,107 0.547,108 0.728,109 0.825,110 0.84,111 0.84,112 3.144,113 1.151,114 -6.49,115 -6.32,116 -5.86,117 41.3,118 1,119 3,120 1,123 2,129 8,130 2,131 2,135 1,136 1,137 1,139 13,143 1,144 18,145 1,149 2,150 15,151 2,156 3,157 9,158 3,163 3,164 10,165 3,170 8,176 1,177 8,178 1,183 8,188 2,189 8,190 2,191 668,192 14.922,193 14.922,194 14.922,195 14.922,196 14.922,197 13.394,198 11.564,199 9.136,200 15.208,201 11.281,202 11.281,203 11.281,204 11.281,205 11.281,206 9.1,207 6.465,208 4.284,209 11.771,210 4.147,211 2.393,212 1.354,213 0.799,214 0.712,215 0.712,216 3.81,218 1,219 1,220 532,221 3.317,223 171.795,225 1.649,226 15.348,228 0.75,229 0.83,230 0.83,231 0.8,232 1,233 0.83,234 1,235 0.86,236 46,237 257,238 4.123,239 4.406,240 6.132,241 3.844,242 2.85,243 3.674,244 2.95,245 8.992,246 2.835,247 4.011,248 3.101,249 5.412,250 3.573,251 2.618,252 3.614,254 7.154,255 2.511,256 3.602,257 2.817,258 5.043,259 3.259,260 2.312,261 2.875,263 6.088,264 2.176,265 3.426,266 2.801,267 4.889,268 3.053,269 2.119,270 2.708,271 5.696,272 1.947,273 2.853,274 2.466,275 4.336,276 2.682,277 1.702,278 1.894,279 4.15,280 1.658,281 2.543,282 1.718,283 3.675,284 2.376,285 1.414,286 1.546,287 3.158,288 1.348,289 2.5,290 1.309,291 3.414,292 2,293 1,294 1.5,295 2.275,296 1,297 2.5,298 1,299 3.414,300 2,301 1,302 1.5,303 2.275,304 1,305 1.912,306 1,307 3.105,308 1.768,309 0.857,310 0.89,311 1.739,312 0.764,313 1.386,314 0.874,315 2.555,316 1.217,317 0.299,318 0.315,319 0.5,320 0.271,321 1.212,322 0.653,323 2.467,324 0.941,329 0.951,330 0.335,331 2,332 0.659,333 -0.271,334 -0.317,336 -0.572,337 -0.245,338 0.542,339 -0.181,340 2,341 0.345,342 -0.582,343 -0.644,345 -1.167,346 -0.532,347 0.5,348 -0.307,349 1.916,351 -1,352 -1.155,354 -2.505,355 -0.98,356 0.5,357 -0.898,358 1.63,360 -1,361 -1.5,363 -3,364 -1,365 11.019,366 0.501,367 0.4,368 0.018,369 24.5,370 1.114,371 12.5,372 0.568,373 12,374 0.545,375 19.774,376 0.899,377 24.381,378 0.53,379 14.414,380 0.655,381 4.43,382 0.201,383 6.256,384 0.284,385 0.108,387 0.227,389 1,390 0.642,391 0.918,392 0.855,393 0.928,394 0.667,395 0.99,396 0.643,397 1.009,398 1.07,399 1.117,400 0.571,401 1.088,402 0.862,403 1.026,404 1.152,405 1.131,406 0.806,407 1.071,408 0.749,409 0.994,410 1.142,411 1.143,412 0.734,413 1.133,414 0.44,415 0.817,416 0.874,417 0.938,418 0.449,419 0.981,420 0.799,421 0.953,422 1.101,423 1.063,424 0.808,425 1.009,426 1.316,427 0.986,428 1.084,429 0.987,430 1.34,431 0.971,432 1.4,433 0.983,434 1.272,435 1.046,436 1.381,437 0.913,438 4,439 0.062,440 2.222,441 0.75,442 0.724,443 0.438,444 0.242,445 0.149,446 0.164,447 0.101,448 5603,449 13881,450 1.995,451 52.2,452 7,453 12,454 2,456 3,457 1.636,458 1.886,459 3.504,460 0.214,462 63.334,463 1.377,464 3.131,465 4.17,466 4.725,467 4.811,468 4.811,469 2.897,470 3.823,471 4.434,472 3.655,473 844.255,474 7.568,475 10103.6,477 254.084,478 1.293,479 4.398,480 0.174,481 0.004,482 0.077,483 0.027,484 0.033,485 0.022,486 0.013,487 0.009,488 0.011,489 0.006,490 0.376,491 0.5,492 0.88,493 0.797,494 105.181,495 -0.039,496 0.102,497 0.048,498 0.103,499 -0.053,500 0.063,501 -0.011,502 -0.039,503 -0.033,504 -0.038,505 0.048,506 -0.047,507 -0.033,508 -0.053,509 -0.068,510 -0.062,511 0.008,512 -0.058,513 -0.046,514 -0.103,515 -0.133,516 -0.137,517 -0.043,518 -0.144,519 0.026,520 -0.051,521 0.021,522 -0.016,523 0.004,524 -0.013,525 -0.01,526 -0.067,527 -0.042,528 -0.056,529 -0.04,530 -0.035,531 0.056,532 0.1,533 0.008,534 0.027,535 0.026,536 -0.01,537 -0.1,538 0.103,539 -0.041,540 0.068,541 -0.103,542 0.079,543 1.853,544 4.959,545 0.545,546 19.455,547 0.985,548 1.125,549 5.263,550 27.703,551 0.668,552 3.178,553 3.401,554 3.555,555 3.664,556 3.829,557 3.664,558 3.526,559 3.401,560 3.367,561 3.367,562 6.787,563 0.607,564 317.51,565 3.178,566 4.654,567 5.442,568 6.256,569 7.06,570 7.876,571 8.686,572 9.502,573 10.314,574 11.13,575 2.2,576 1,583 8,585 4,586 12,591 1,592 46,593 12,594 2,595 23,596 47,597 19,598 12,599 4,600 8,602 2,603 2,605 2,609 3,610 12,611 7,612 1,619 1,620 24,621 2,622 2,623 3,624 1,625 1,627 1,631 2,635 1,637 2,638 1,639 1,640 1,642 1,643 22,644 1,646 5,649 1,650 1,653 1,658 11.667,659 8.143,660 5.111,661 2.855,662 1.887,663 1.303,664 0.954,665 6.951,666 8.121,667 3.401,668 3.892,669 4.337,670 4.764,671 5.252,672 5.021,673 4.857,674 4.726,675 4.646,676 4.761,677 0.875,678 28,679 8.155,680 3.29,681 7.652,682 16.003,683 12.872,684 2.152,685 47.333,686 0.001,687 1,688 258.964,689 144.507,690 32.897,693 14.96,694 32.22,695 112.287,696 258.964,697 47.857,698 8.825,699 43.506,700 75.81,702 17.043,703 14.96,704 291.184,706 258.964,707 145.184,708 14.96,709 32.22,710 238.611,711 35.313,712 52.331,713 92.853,715 32.22,716 273.924,717 32.897,718 144.507,719 258.964,720 59.871,721 84.635,723 47.857,724 258.964,725 47.857,726 144.507,727 0.558,728 0.314,729 0.156,730 0.087,731 11,732 5,733 0.17,734 8,736 1,737 3.592,738 148.614,740 12,741 90.107,742 1,743 17.049,744 8.969,745 5.782,747 47.857,748 15.42,750 3.595,751 32.897,752 451.328,753 29,758 45.294,759 51.74,760 0.249,761 0.567,762 0.755,763 0.855,764 0.871,765 0.871,766 4.575,767 1,768 5.371,769 2.275,770 4.078,771 4.575,772 2.913,773 6.043,774 4.003,775 5.719,776 0.857,777 6.847,778 2.275,779 3.434,780 4.111,782 6.698,783 3.311,784 6.969,785 0.299,786 8.419,787 1.739,788 5.541,789 6.622,790 5.027,791 9.687,792 5.414,793 8.251,795 10.048,796 0.5,797 5.707,798 6.933,800 11.193,801 5.541,802 9.564,803 -0.271,804 11.714,806 7.246,807 8.926,808 7.185,809 13.67,810 7.084,811 10.895,812 -0.582,813 13.407,814 -0.572,815 7.81,816 9.606,818 15.546,819 7.625,820 12.242,821 -1,822 15.12,823 -1.167,824 9.087,825 11.347,826 9.348,827 17.84,828 8.905,829 2.85,830 -1,831 16.849,832 -2.505,833 9.863,834 12.237,836 19.887,837 9.669,838 2.618,839 8.992,840 18.59,841 -3,842 11.011,843 13.829,844 11.511,845 22.113,846 10.819,847 2.312,848 7.154,849 20.342,850 3.674,851 11.902,852 14.852,854 24.239,855 11.705,856 2.119,857 6.088,858 22.102,859 3.614,860 12.987,861 16.348,862 13.675,863 26.442,864 12.791,865 1.702,866 5.696,867 23.87,868 2.875,869 13.942,870 17.459,872 28.603,873 13.744,874 1.414,875 4.15,876 25.644,877 2.708,878 14.996,879 18.89,880 15.838,881 30.798,882 14.8,883 1,884 3.158,885 27.423,886 1.894,887 15.986,888 20.061,890 32.977,891 15.789,892 5589,893 8892,894 15.197,895 30.728,896 32.497,897 35.517,898 33.516,899 32.414,900 32.343,901 41.031,902 5.9,903 84.052,904 31.022,905 5.06,906 6.406,907 5.905,908 4.93,909 4.85,910 6.674,911 5.9,912 15,913 4.835,914 10.65,915 1.413,916 1.544,917 1.457,918 1.409,919 1.406,920 1.784,921 0.257,922 3.654,923 1.349,924 3.968,925 4.001,926 4.023,927 3.913,928 8.201,929 3.896,930 3.903,931 3.929,932 3.886,933 3.866,934 5.01,935 3.848,936 3.673,937 3.731,938 3.602,939 3.569,940 4.732,941 3.544,942 3.449,943 3.526,944 3.444,945 3.331,946 4.619,947 3.288,948 3.191,949 3.267,950 3.132,951 3.079,952 4.09,953 3.036,954 3.036,955 3.144,956 2.831,957 2.818,958 3.879,959 2.784,960 2.854,961 2.925,962 2.767,963 2.735,964 3.674,965 2.715,966 2.854,967 2.925,968 2.687,969 2.735,970 3.674,971 2.715,972 0.179,973 0.192,974 0.267,975 0.167,976 0.124,977 4.123,978 0.16,979 4.406,980 0.128,981 6.132,982 0.391,983 3.844,984 0.123,985 2.85,986 3.674,987 2.95,988 8.992,989 2.835,990 1.941,991 1.912,992 2.076,993 2.037,994 1.402,995 2.052,996 1.907,997 1.885,998 2.017,999 1.972,1000 1.177,1001 1.998,1002 1.685,1003 1.631,1004 1.898,1005 1.831,1006 1.104,1007 1.86,1008 1.441,1009 1.377,1010 1.69,1011 1.657,1012 0.89,1013 1.68,1014 1.209,1015 1.141,1016 1.514,1017 1.403,1018 0.663,1019 1.459,1020 1.04,1021 0.936,1022 1.404,1023 1.315,1024 0.566,1025 1.359,1026 0.886,1027 0.821,1028 1.181,1029 1.062,1030 0.245,1031 1.107,1032 0.886,1033 0.821,1034 1.181,1035 1.062,1036 0.218,1037 1.107,1038 3.85,1039 5.094,1041 6.526,1043 8.041,1045 9.597,1046 2.108,1048 12.959,1049 5.864,1051 5.144,1054 1.905,1055 0.338,1058 27.913,1059 63.334,1060 144.026,1061 191.819,1062 217.329,1063 221.329,1064 221.329,1065 42.707,1066 6.234,1067 26.02,1068 51.32,1069 12,1070 11.715,1071 3.7,1072 2.807,1073 42.691,1074 91,1075 82,1076 0.225,1077 179.797,1078 310.48,1079 430.465,1080 3931,1081 2.2,1082 15.786,1083 0.718,1084 0.632,1085 15.27,1086 13.912,1087 10.686,1088 0.465,1089 0.384,1090 7.885,1091 10.019,1092 7.552,1093 6.323,1094 10.746,1095 8.824,1096 8.952,1097 0.309,1098 0.235,1099 8.94,1100 6.81,1101 7.074,1102 0.208,1103 0.146,1104 7.299,1105 4.961,1106 5.165,1107 0.136,1108 0.089,1109 5.58,1110 3.386,1111 4.152,1112 0.092,1113 0.055,1114 4.519,1115 2.494,1116 0.37,1117 69.876,1118 0.257,1119 22.57,1120 0.574,1121 104,1122 282.284,1123 130.807,1124 277.559,1125 368.08,1126 260,1127 115,1128 241.813,1129 135.279,1130 256.988,1131 366.9,1132 242,1133 5.26}
{0 CHEMBL558583,1 1.321,2 12.68,3 6.055,4 36.663,5 109.075,6 6.538,7 0.462,8 4.031,9 4.168,10 3.516,11 3.647,12 5.009,13 3.543,14 4.586,15 4.787,16 3.849,17 4.054,18 5.472,19 3.908,20 4.894,21 5.125,22 3.892,23 4.23,24 5.758,25 4.039,26 5.032,27 5.316,28 3.724,29 4.21,30 5.785,31 3.979,32 4.967,33 5.266,34 3.574,35 4.1,36 5.668,37 3.853,38 4.839,39 5.149,40 3.622,41 3.962,42 5.553,43 3.704,44 4.587,45 4.848,46 3.503,47 3.809,48 5.511,49 3.558,50 4.428,51 4.681,52 3.33,53 3.688,54 5.265,55 3.477,56 0.059,57 0.795,58 13.705,59 6.1,60 10.079,61 8.124,62 0.116,63 1.302,64 25.509,65 10.767,66 21.137,67 13.973,68 0.19,69 1.703,70 35.363,71 14.396,72 34.337,73 18.526,74 0.228,75 1.77,76 39.379,77 15.521,78 39.806,79 20.627,80 0.195,81 1.59,82 35.584,83 14.004,84 34.498,85 19.178,86 0.208,87 1.457,88 33.58,89 12.715,90 29.124,91 16.519,92 0.318,93 1.32,94 33.803,95 11.303,96 46.862,97 12.985,98 0.17,99 1.084,100 23.84,101 9.13,102 24.915,103 11.146,104 30,105 35,106 0.222,107 0.519,108 0.694,109 0.772,110 0.784,111 0.784,112 3.265,113 1.162,114 -7.16,115 -6.95,116 -6.43,117 40,118 3,119 3,120 1,121 1,123 2,129 8,130 2,131 2,135 1,136 1,137 1,139 16,143 1,144 24,145 1,149 2,150 21,151 2,156 3,157 15,158 3,163 3,164 10,165 3,170 11,176 1,177 8,178 1,183 11,188 2,189 11,190 2,191 927,192 16.394,193 16.394,194 16.394,195 16.394,196 16.394,197 14.957,198 15.202,199 9.767,200 16.68,201 12.755,202 12.755,203 12.755,204 12.755,205 12.755,206 10.638,207 10.877,208 4.552,209 13.246,210 4.46,211 2.69,212 1.651,213 1.187,214 1.114,215 1.114,216 3.927,219 1,220 650,221 4.123,223 200.204,225 1.878,226 17.316,228 0.75,229 0.83,230 0.67,231 0.8,232 1,233 0.83,234 1,235 0.84,236 52,237 317,238 4.439,239 4.406,240 7.111,241 4.313,242 3.313,243 3.834,244 2.95,245 11.657,246 3.312,247 4.123,248 3.534,249 6.132,250 3.844,251 2.85,252 3.674,254 8.992,255 2.835,256 3.82,257 3.101,258 5.355,259 3.418,260 2.498,261 3.162,263 7.008,264 2.295,265 3.602,266 2.81,267 5.043,268 3.259,269 2.312,270 2.875,271 6.087,272 2.176,273 2.974,274 2.768,275 4.586,276 2.728,277 1.766,278 2.077,279 4.723,280 1.687,281 2.84,282 1.795,283 4.336,284 2.58,285 1.607,286 1.886,287 4.148,288 1.546,289 2.528,290 1.711,291 3.678,292 2.359,293 1.39,294 1.53,295 3.141,296 1.337,297 2.5,298 1.3,299 3.414,300 2,301 1,302 1.5,303 2.275,304 1,305 2.5,306 1,307 3.414,308 2,309 1,310 1.5,311 2.275,312 1,313 1.891,314 1,315 3.135,316 1.751,317 0.834,318 0.868,319 1.707,320 0.748,321 1.351,322 0.701,323 2.765,324 1.186,325 0.273,326 0.286,327 0.446,328 0.246,329 1.156,330 0.626,331 2.505,332 0.865,333 -0.061,334 -0.069,336 -0.129,337 -0.055,338 0.872,339 0.329,340 2.41,341 0.567,342 -0.361,343 -0.421,345 -0.762,346 -0.324,347 0.5,348 -0.193,349 2,350 0.259,351 -0.674,352 -0.764,354 -1.421,355 -0.616,356 0.5,357 -0.708,358 2,360 -1,361 -1,363 -2.728,364 -1,365 12.519,366 0.501,367 0.689,368 0.028,369 26,370 1.04,371 12.5,372 0.5,373 13.5,374 0.54,375 26.468,376 1.059,377 28.281,378 0.514,379 15.909,380 0.636,381 4.33,382 0.173,383 7.567,384 0.303,385 0.175,386 0.04,387 0.2,389 1,390 0.655,391 0.98,392 0.906,393 0.993,394 0.71,395 1.054,396 0.629,397 0.972,398 1.012,399 1.053,400 0.544,401 1.022,402 0.846,403 1.104,404 1.188,405 1.206,406 0.799,407 1.176,408 0.656,409 0.927,410 1.023,411 1.046,412 0.656,413 1.048,414 0.429,415 0.867,416 0.893,417 0.981,418 0.466,419 1.034,420 0.733,421 0.851,422 0.88,423 0.872,424 0.749,425 0.878,426 1.517,427 1.168,428 1.978,429 1.536,430 1.428,431 1.117,432 1.492,433 1.145,434 1.398,435 1.214,436 1.46,437 1.108,438 6,439 0.078,440 3.111,441 1.25,442 0.844,443 0.736,444 0.324,445 0.212,446 0.214,447 0.141,448 7910,449 17604,450 1.941,451 54.5,452 13,453 12,454 2,456 3,457 1.67,458 1.796,459 3.588,460 0.154,462 72.661,463 1.321,464 3.091,465 4.131,466 4.594,467 4.667,468 4.667,469 3.029,470 3.783,471 4.619,472 3.814,473 1144.25,474 7.933,475 15279.1,477 317.975,478 1.583,479 4.551,480 0.231,481 0.004,482 0.089,483 0.037,484 0.03,485 0.032,486 0.015,487 0.011,488 0.012,489 0.007,490 0.469,491 0.5,492 0.88,493 0.942,494 125.513,495 -0.033,496 0.09,497 0.047,498 0.09,499 -0.072,500 0.054,501 0.008,502 0.027,503 0.038,504 0.045,505 0.077,506 0.049,507 -0.045,508 -0.101,509 -0.122,510 -0.128,511 -0.008,512 -0.138,513 -0.017,514 -0.056,515 -0.06,516 -0.066,517 -0.022,518 -0.062,519 0.018,520 -0.083,521 -0.018,522 -0.061,523 -0.022,524 -0.067,525 0.036,526 0.022,527 0.152,528 0.114,529 -0.007,530 0.083,531 0.013,532 0.043,533 -0.242,534 -0.149,535 0.024,536 -0.08,537 -0.134,538 0.003,539 -0.159,540 -0.074,541 -0.13,542 -0.09,543 1.853,544 5.024,545 0.48,546 24.176,547 0.981,548 1.127,549 5.926,550 35.12,551 0.655,552 3.296,553 3.584,554 3.714,555 3.807,556 3.951,557 3.932,558 3.829,559 3.584,560 3.555,561 3.555,562 7.583,563 0.591,564 359.6,565 3.296,566 4.812,567 5.609,568 6.454,569 7.269,570 8.114,571 8.935,572 9.78,573 10.604,574 11.45,575 1.8,576 1,583 8,585 4,586 12,591 1,592 55,593 12,594 2,595 26,596 56,597 22,598 12,599 4,600 8,602 2,603 2,605 4,606 1,609 3,610 12,611 10,612 1,619 1,620 30,621 2,622 2,623 3,624 1,625 1,627 1,631 2,635 1,637 2,638 1,639 1,640 3,642 1,643 25,644 1,646 5,649 1,650 1,652 1,653 1,658 13.917,659 10.393,660 5.611,661 3.418,662 1.918,663 1.294,664 0.928,665 7.525,666 8.437,667 3.497,668 4.007,669 4.449,670 4.873,671 5.352,672 5.31,673 5.27,674 4.891,675 4.823,676 4.921,677 1,678 34,679 9.281,680 3.756,681 7.603,682 18.312,683 14.914,684 2.103,685 52.583,688 329.591,689 162.157,690 32.897,693 14.96,694 32.22,695 129.937,696 329.591,697 47.857,698 26.476,699 43.506,700 75.81,702 17.043,703 14.96,704 361.81,706 329.591,707 162.835,708 14.96,709 32.22,710 309.238,711 35.313,712 69.982,713 92.853,715 32.22,716 344.551,717 32.897,718 162.157,719 329.591,720 59.871,721 102.286,723 47.857,724 329.591,725 47.857,726 162.157,727 0.577,728 0.316,729 0.149,730 0.079,731 14,732 7,733 0.161,734 9,736 1,737 3.782,738 180.047,740 12,741 103.342,742 1,743 20.006,744 9.404,745 6.488,747 47.857,748 15.697,750 3.673,751 32.897,752 539.605,753 32,758 53.945,759 61.986,760 0.229,761 0.535,762 0.714,763 0.795,764 0.807,765 0.807,766 4.718,767 1,768 5.617,769 3.141,770 4.263,771 4.691,772 2.913,773 6.399,774 4.201,775 5.907,776 1,777 7.175,778 2.275,779 4.007,780 4.443,782 7.573,783 3.94,784 7.202,785 0.834,786 8.854,787 2.275,788 5.894,789 6.77,790 5.027,791 10.494,792 5.806,793 8.533,794 0.273,795 10.609,796 1.707,797 6.447,798 7.261,800 12.495,801 6.372,802 9.897,803 -0.061,804 12.414,805 0.446,806 7.864,807 9.127,808 7.185,809 15.051,810 7.78,811 11.283,812 -0.361,813 14.255,814 -0.129,815 8.766,816 9.958,818 17.339,819 8.699,820 12.686,821 -0.674,822 16.122,823 -0.762,824 10.017,825 11.607,826 9.348,827 19.807,828 9.95,829 3.313,830 -1,831 18.008,832 -1.421,833 11.073,834 12.624,836 22.196,837 11.019,838 2.85,839 11.657,840 19.91,841 -2.728,842 12.269,843 14.152,844 11.511,845 24.645,846 12.218,847 2.498,848 8.992,849 21.822,850 3.834,851 13.394,852 15.282,854 27.072,855 13.352,856 2.312,857 7.008,858 23.744,859 3.674,860 14.574,861 16.736,862 13.675,863 29.519,864 14.536,865 1.766,866 6.087,867 25.673,868 3.162,869 15.731,870 17.937,872 31.961,873 15.7,874 1.607,875 4.723,876 27.608,877 2.875,878 16.911,879 19.345,880 15.838,881 34.411,882 16.882,883 1.39,884 4.148,885 29.547,886 2.077,887 18.084,888 20.593,890 36.859,891 18.059,892 7950,893 12000,894 16.583,895 36.012,896 38.059,897 41.041,898 38.705,899 37.723,900 37.687,901 46.381,902 5.9,903 104.919,904 36.363,905 5.376,906 6.406,907 6.884,908 5.404,909 5.313,910 6.834,911 5.9,912 18.533,913 5.312,914 14.973,915 1.464,916 1.578,917 1.489,918 1.451,919 1.449,920 1.784,921 0.227,922 4.035,923 1.399,924 3.983,925 4.015,926 4.035,927 3.94,928 8.201,929 3.919,930 3.934,931 3.964,932 3.886,933 3.877,934 5.01,935 3.87,936 3.682,937 3.738,938 3.68,939 3.594,940 4.735,941 3.557,942 3.57,943 3.627,944 3.486,945 3.477,946 4.619,947 3.45,948 3.43,949 3.512,950 3.301,951 3.282,952 4.232,953 3.258,954 3.081,955 3.18,956 3.06,957 2.93,958 4.072,959 2.863,960 2.874,961 3.009,962 2.803,963 2.735,964 3.706,965 2.715,966 2.874,967 3.009,968 2.687,969 2.735,970 3.674,971 2.715,972 0.171,973 0.169,974 0.273,975 0.166,976 0.127,977 4.439,978 0.147,979 4.406,980 0.113,981 7.111,982 0.448,983 4.313,984 0.127,985 3.313,986 3.834,987 2.95,988 11.657,989 3.312,990 1.953,991 1.929,992 2.081,993 2.038,994 1.402,995 2.056,996 1.937,997 1.909,998 2.072,999 2.021,1000 1.286,1001 2.043,1002 1.695,1003 1.643,1004 1.901,1005 1.836,1006 1.152,1007 1.868,1008 1.587,1009 1.535,1010 1.805,1011 1.727,1012 0.948,1013 1.765,1014 1.426,1015 1.357,1016 1.687,1017 1.649,1018 0.872,1019 1.671,1020 1.074,1021 0.985,1022 1.417,1023 1.335,1024 0.627,1025 1.381,1026 0.934,1027 0.821,1028 1.417,1029 1.239,1030 0.469,1031 1.308,1032 0.934,1033 0.821,1034 1.409,1035 1.239,1036 0.469,1037 1.308,1038 3.97,1039 5.263,1041 6.739,1043 8.294,1045 9.889,1046 6.721,1048 13.024,1049 5.899,1051 5.115,1054 1.916,1055 0.33,1057 0.209,1058 32.494,1059 72.661,1060 170.026,1061 227.181,1062 252.691,1063 256.691,1064 256.691,1065 57.26,1066 6.519,1067 26.02,1068 51.32,1069 12,1070 12.015,1071 3.7,1072 2.807,1073 52.3,1074 117,1075 94,1076 0.216,1077 208.574,1078 362.38,1079 500.681,1080 5716,1081 1.8,1082 18.286,1083 0.731,1084 0.656,1085 17.77,1086 16.412,1087 11.897,1088 0.458,1089 0.387,1090 9.135,1091 11.23,1092 8.645,1093 7.294,1094 11.957,1095 10.074,1096 10.91,1097 0.312,1098 0.251,1099 10.898,1100 8.771,1101 8.01,1102 0.2,1103 0.142,1104 8.235,1105 5.66,1106 5.864,1107 0.133,1108 0.086,1109 6.279,1110 3.802,1111 4.417,1112 0.087,1113 0.051,1114 4.724,1115 2.594,1116 0.357,1117 77.144,1118 0.246,1119 25.208,1120 0.544,1121 122,1122 300.284,1123 148.807,1124 297.699,1125 397,1126 278,1127 136,1128 265.813,1129 156.279,1130 284.491,1131 405.78,1132 266,1133 5.319}
{0 CHEMBL63354,1 1.453,2 13,3 4.357,4 18.983,5 143.335,6 9.284,7 0.533,8 4.23,9 4.273,10 3.945,11 3.808,12 5.609,13 3.847,14 4.655,15 4.703,16 4.376,17 4.21,18 6.062,19 4.249,20 4.986,21 5.061,22 4.542,23 4.36,24 6.394,25 4.407,26 5.081,27 5.173,28 4.6,29 4.352,30 6.706,31 4.394,32 5.067,33 5.179,34 4.466,35 4.348,36 6.487,37 4.37,38 5.015,39 5.125,40 4.483,41 4.335,42 6.521,43 4.354,44 5.014,45 5.11,46 4.468,47 4.317,48 6.543,49 4.341,50 5.03,51 5.145,52 4.393,53 4.27,54 6.523,55 4.287,56 0.393,57 0.664,58 7.411,59 5.257,60 57.953,61 4.121,62 0.442,63 1.03,64 10.004,65 8.246,66 53.823,67 7.268,68 0.973,69 1.433,70 19.298,71 11.418,72 138.361,73 9.364,74 1.7,75 1.576,76 24.978,77 12.654,78 207.353,79 12.016,80 1.407,81 1.578,82 26.662,83 12.723,84 186.513,85 11.116,86 1.244,87 1.506,88 23.802,89 12.256,90 181.607,91 11.926,92 1.322,93 1.486,94 22.616,95 11.938,96 185.026,97 10.57,98 1.291,99 1.525,100 24.984,101 12.339,102 193.602,103 11.135,104 65,105 68,106 0.231,107 0.501,108 0.643,109 0.769,110 0.851,111 0.896,112 3.718,113 0.784,114 -1.94,115 -1.99,116 -1.99,117 51.7,126 2,128 2,129 10,130 6,131 8,133 2,139 9,140 12,143 12,144 19,146 5,149 6,150 12,152 2,153 13,154 6,155 2,156 9,157 15,160 8,161 1,162 1,163 5,164 15,167 6,168 4,169 10,170 16,172 1,173 6,174 2,175 1,176 13,177 16,180 1,181 2,182 15,183 12,185 2,186 7,187 2,188 8,189 13,191 3152,192 26.48,193 26.48,194 26.48,195 26.48,196 26.48,197 22.831,198 28.462,199 14.904,200 26.84,201 22.177,202 22.177,203 22.177,204 22.177,205 22.177,206 16.484,207 35.242,208 7.077,209 22.862,210 4.405,211 2.703,212 1.802,213 1.009,214 0.496,215 0.207,216 4.427,220 1148,221 3,223 625.596,224 337.58,225 1.95,226 84.35,228 0.5,229 0.33,230 0.67,231 0.2,233 0.5,234 0.5,235 0.39,236 90,237 520,238 4.71,239 3.682,240 7.074,241 4.334,242 3.357,243 4.453,244 0.86,245 12.199,246 3.28,247 4.553,248 3.642,249 6.759,250 4.174,251 3.197,252 4.222,253 0.86,254 11.008,255 3.128,256 4.33,257 3.256,258 6.494,259 3.944,260 2.959,261 3.949,263 10.037,264 2.917,265 4.176,266 3.032,267 6.133,268 3.765,269 2.786,270 3.773,271 9.026,272 2.723,273 3.995,274 2.983,275 6.103,276 3.613,277 2.635,278 3.436,279 8.852,280 2.575,281 3.754,282 2.899,283 5.613,284 3.313,285 2.342,286 3.181,287 7.066,288 2.273,289 3.658,290 2.738,291 5.241,292 3.252,293 2.284,294 3.022,295 6.462,296 2.199,297 3.582,298 2.6,299 5.197,300 3.192,301 2.229,302 2.906,303 6.246,304 2.127,305 3.349,306 2.373,307 5.054,308 2.94,309 1.993,310 2.635,311 5.892,312 1.876,313 3.274,314 2.303,315 5.034,316 2.868,317 1.933,318 2.526,319 5.797,320 1.794,321 3.129,322 2.273,323 4.805,324 2.705,325 1.716,326 2.279,327 4.92,328 1.673,329 3.118,330 2.238,331 4.673,332 2.687,333 1.702,334 2.27,336 4.748,337 1.655,338 2.817,339 1.651,340 4.346,341 2.358,342 1.4,343 1.887,345 3.948,346 1.332,347 2.763,348 1.555,349 4.291,350 2.244,351 1.294,352 1.762,354 3.733,355 1.216,356 2.7,357 1.408,358 4.172,359 2.206,360 1.241,361 1.727,363 3.409,364 1.188,365 18.333,366 0.458,367 1.33,368 0.033,369 59.5,370 1.488,371 34,372 0.85,373 25.5,374 0.638,375 31.135,376 0.778,377 41.067,378 0.708,379 58.311,380 1.458,381 12.032,382 0.301,383 7.068,384 0.177,385 0.145,387 0.491,390 0.958,391 0.752,392 0.71,393 0.724,394 0.937,395 0.645,396 0.742,397 1.086,398 0.612,399 1.058,400 0.612,401 0.868,402 1.139,403 1.088,404 0.938,405 1.063,406 1.031,407 0.961,408 0.772,409 1.011,410 0.834,411 1.012,412 0.705,413 0.97,414 1.163,415 0.903,416 1.09,417 0.901,418 1.072,419 0.944,420 0.84,421 0.998,422 0.877,423 0.998,424 0.891,425 0.968,426 1,427 1.041,428 1.038,429 1.045,430 1.056,431 1.053,432 1.108,433 1.088,434 1.129,435 1.092,436 1.079,437 1.11,438 9.5,439 0.417,440 5.333,441 4.125,442 3.524,443 2.257,444 1.561,445 0.922,446 0.747,447 0.564,448 24569,449 85533,450 2.09,451 31,453 12,454 6,457 1.805,458 1.905,459 3.639,460 2.934,462 84.278,463 1.453,464 3.155,465 4.056,466 4.849,467 5.362,468 5.651,469 3.094,470 4.784,471 5.293,472 3.813,473 2974.27,474 9.372,475 48507.7,477 339.763,478 1.513,479 5.23,480 0.211,481 0.008,482 0.078,483 0.054,484 0.046,485 0.032,486 0.022,487 0.013,488 0.012,489 0.01,490 0.487,491 0.33,492 0.5,493 0.597,494 221.458,495 -0.182,496 0.21,497 -0.067,498 0.213,499 -0.215,500 0.153,501 -0.051,502 -0.133,503 0.028,504 -0.12,505 -0.001,506 -0.046,507 -0.2,508 -0.118,509 -0.116,510 -0.11,511 -0.18,512 -0.087,513 0.257,514 -0.031,515 0.105,516 -0.042,517 0.21,518 -0.038,519 -0.163,520 0.08,521 -0.126,522 0.078,523 -0.137,524 0.02,525 0.052,526 -0.021,527 0.054,528 -0.018,529 0.048,530 0.007,531 -0.028,532 -0.064,533 -0.126,534 -0.076,535 -0.05,536 -0.122,537 -0.122,538 -0.108,539 -0.15,540 -0.112,541 -0.086,542 -0.133,543 2.293,544 6.042,545 0.8,546 43.06,547 1.038,548 1.101,549 0.705,550 0.497,551 0.714,552 3.829,553 4.234,554 4.564,555 4.913,556 5.209,557 5.407,558 5.553,559 5.756,560 5.935,561 6.082,562 7.606,563 0.722,564 538.48,565 3.829,566 5.425,567 6.315,568 7.239,569 8.145,570 9.073,571 9.986,572 10.916,573 11.832,574 12.764,583 10,585 14,586 24,587 2,589 6,590 2,592 58,593 28,594 4,595 45,596 63,597 30,598 24,599 14,600 10,601 6,602 6,603 8,610 30,613 4,614 2,615 2,617 4,620 18,621 10,622 6,623 10,627 0.667,628 10,631 6,632 2,633 4,637 4,643 40,645 6,648 2,654 17.2,655 6,656 2,657 2,658 21,659 10.367,660 8.417,661 3.133,662 5.394,663 1.579,664 0.939,665 6.127,666 14.706,667 4.127,668 4.812,669 5.449,670 6.08,671 6.669,672 7.072,673 7.462,674 7.952,675 8.398,676 8.813,677 0.889,678 77,679 15.004,680 7.083,681 8.275,682 26.702,683 22.698,684 2.775,685 111,688 141.253,689 164.069,692 328.39,695 164.069,696 469.643,700 113.715,701 327.144,702 51.6,704 141.253,706 141.253,707 164.069,708 328.39,710 141.253,711 328.39,713 134.63,714 29.439,716 141.253,717 328.39,718 164.069,719 141.253,720 50.354,721 113.715,723 328.39,724 141.253,725 328.39,726 164.069,727 0.604,728 0.362,729 0.205,730 0.116,731 36,732 18,733 0.048,734 3,735 2,736 1.125,737 4.644,738 443.019,739 0.125,740 32,741 208.877,743 25.668,744 9.549,745 4.424,747 328.39,748 13.019,750 -2.329,751 256.1,752 633.712,753 61,754 25.781,755 2.271,757 -1.137,758 60.225,759 63.831,760 0.248,761 0.539,762 0.692,763 0.828,764 0.915,765 0.965,766 5.412,767 2.229,768 6.347,769 6.462,770 4.92,771 5.501,772 1.376,773 7.238,774 4.861,775 6.673,776 1.993,777 7.959,778 6.246,779 4.691,780 5.472,782 8.266,783 4.599,784 8.021,785 1.933,786 9.666,787 5.892,788 6.597,789 7.767,790 1.159,791 11.415,792 6.495,793 9.399,794 1.716,795 11.427,796 5.797,797 7.124,798 8.484,800 13.254,801 6.995,802 10.804,803 1.702,804 13.223,805 4.92,806 8.558,807 10.299,808 0.963,809 15.944,810 8.418,811 12.229,812 1.4,813 15.045,814 4.748,815 9.434,816 11.377,818 18.138,819 9.27,820 13.671,821 1.294,822 16.886,823 3.948,824 10.693,825 12.992,826 0.787,827 20.67,828 10.514,829 3.357,830 1.241,831 18.742,832 3.733,833 11.731,834 14.256,836 23.019,837 11.529,838 3.197,839 12.199,840 20.611,841 3.409,842 12.928,843 15.781,844 0.634,845 25.5,846 12.708,847 2.959,848 11.008,849 22.49,850 4.453,851 14.041,852 17.14,854 27.917,855 13.799,856 2.786,857 10.037,858 24.377,859 4.222,860 15.219,861 18.628,862 0.504,863 30.386,864 14.957,865 2.635,866 9.026,867 26.272,868 3.949,869 16.368,870 20.037,872 32.835,873 16.082,874 2.342,875 8.852,876 28.173,877 3.773,878 17.543,879 21.509,880 0.395,881 35.306,882 17.237,883 2.284,884 7.066,885 30.079,886 3.436,887 18.71,888 22.946,890 37.771,891 18.38,892 22852,893 42795,894 29.479,895 41.398,896 70.126,897 72.298,898 72.977,899 68.98,900 68.833,901 91.912,902 3.44,903 213.105,904 66.567,905 5.578,906 5.682,907 6.488,908 5.437,909 5.357,910 7.453,911 1.72,912 19.822,913 5.28,914 24.301,915 1.558,916 1.607,917 1.622,918 1.533,919 1.53,920 2.042,921 0.076,922 4.736,923 1.479,924 4.093,925 4.095,926 4.069,927 4.021,928 7.43,929 4.03,930 3.98,931 3.98,932 3.956,933 3.891,934 7.426,935 3.904,936 3.897,937 3.912,938 3.851,939 3.837,940 6.5,941 3.838,942 3.791,943 3.801,944 3.748,945 3.716,946 6.487,947 3.722,948 3.481,949 3.486,950 3.437,951 3.356,952 6.47,953 3.372,954 3.428,955 3.436,956 3.375,957 3.293,958 6.467,959 3.308,960 3.087,961 3.081,962 3.051,963 2.921,964 6.445,965 2.944,966 3.044,967 3.044,968 2.992,969 2.841,970 6.445,971 2.869,972 0.105,973 0.082,974 0.157,975 0.096,976 0.075,977 4.71,978 0.099,979 3.682,980 0.019,981 7.074,982 0.271,983 4.334,984 0.073,985 3.357,986 4.453,987 0.86,988 12.199,989 3.28,990 2.017,991 2.014,992 2.068,993 2.102,994 1.225,995 2.088,996 1.934,997 1.929,998 2.007,999 2.039,1000 1.11,1001 2.022,1002 1.878,1003 1.865,1004 1.948,1005 1.964,1006 1.068,1007 1.963,1008 1.764,1009 1.753,1010 1.842,1011 1.864,1012 0.958,1013 1.857,1014 1.419,1015 1.41,1016 1.521,1017 1.577,1018 0.584,1019 1.554,1020 1.366,1021 1.353,1022 1.486,1023 1.537,1024 0.53,1025 1.515,1026 0.988,1027 0.982,1028 1.181,1029 1.218,1030 0.237,1031 1.168,1032 0.932,1033 0.921,1034 1.153,1035 1.195,1036 0.218,1037 1.154,1038 4.511,1039 5.894,1041 7.476,1043 9.155,1045 10.886,1050 61.65,1053 11.743,1058 41.889,1059 84.278,1060 182.995,1061 235.259,1062 281.234,1063 311.008,1064 327.763,1065 123.486,1066 9.311,1067 181.8,1068 181.8,1069 36,1070 13.268,1071 4.858,1072 4.087,1073 57.032,1074 180,1075 206,1076 0.152,1077 247.304,1078 455.46,1079 595.183,1080 171447,1082 28.292,1083 0.707,1084 0.506,1085 28.292,1086 20.244,1087 19.1,1088 0.424,1089 0.261,1090 11.588,1091 18.321,1092 11.426,1093 9.343,1094 19.1,1095 11.763,1096 18.552,1097 0.273,1098 0.133,1099 18.552,1100 9.061,1101 15.758,1102 0.166,1103 0.068,1104 15.758,1105 6.457,1106 14.426,1107 0.107,1108 0.034,1109 14.426,1110 4.616,1111 11.605,1112 0.064,1113 0.018,1114 11.605,1115 3.214,1116 0.236,1117 120.853,1118 0.184,1119 35.185,1120 0.428,1121 226,1122 785.84,1123 251.245,1124 747.946,1125 1005.06,1126 690,1127 276,1128 739,1129 300.917,1130 741.003,1131 1096.75,1132 699,1133 4}
{0 CHEMBL7568,1 1.444,2 10.464,3 5.666,4 32.105,5 118.962,6 6.897,7 0.533,8 4.118,9 4.251,10 3.619,11 3.658,12 5.094,13 3.602,14 4.684,15 4.891,16 3.967,17 4.039,18 5.578,19 3.958,20 4.93,21 5.167,22 4.072,23 4.215,24 5.788,25 4.11,26 5.016,27 5.26,28 4.043,29 4.275,30 5.841,31 4.137,32 5.11,33 5.386,34 4.015,35 4.311,36 5.86,37 4.147,38 5.09,39 5.356,40 4.037,41 4.293,42 5.861,43 4.133,44 5.069,45 5.328,46 3.927,47 4.234,48 5.881,49 4.06,50 5.026,51 5.308,52 3.747,53 4.102,54 5.778,55 3.9,56 0.051,57 0.808,58 13.39,59 5.545,60 9.666,61 7.825,62 0.201,63 1.297,64 25.526,65 8.942,66 22.852,67 12.95,68 0.303,69 1.603,70 34.636,71 11.239,72 30.45,73 16.507,74 0.313,75 1.718,76 36.686,77 13.044,78 34.215,79 18.999,80 0.383,81 1.803,82 39.646,83 14.818,84 35.926,85 21.479,86 0.289,87 1.751,88 39.698,89 14.463,90 34.91,91 20.899,92 0.33,93 1.684,94 40.642,95 13.641,96 41.83,97 19.606,98 0.38,99 1.494,100 40.909,101 13.222,102 40.949,103 18.734,104 41,105 41,106 0.237,107 0.536,108 0.735,109 0.84,110 0.84,111 0.84,112 3.375,113 1.049,114 -5.14,115 -5.03,116 -4.71,117 39.7,118 3,119 2,122 1,123 3,124 1,129 6,130 2,131 3,132 2,139 5,140 9,143 4,144 9,146 6,149 3,150 7,153 2,154 1,156 3,157 13,159 1,160 2,161 2,163 1,164 13,167 3,169 1,170 12,173 7,176 2,177 10,180 3,183 3,185 1,186 4,189 5,191 1422,192 19.058,193 19.058,194 19.058,195 19.058,196 19.058,197 17.238,198 23.499,199 11.187,200 19.673,201 14.618,202 14.618,203 14.618,204 14.618,205 14.618,206 11.76,207 31.845,208 5.095,209 15.488,210 4.414,211 2.596,212 1.385,213 0.742,214 0.742,215 0.742,216 4.057,217 1,219 1,220 613,221 4.062,223 184.538,224 211.112,225 1.503,226 16.752,228 1,229 1,230 0.83,231 1,232 1,233 1,234 1,235 0.98,236 58.833,237 293,238 4.713,239 3.316,240 6.846,241 4.231,242 3.253,243 4.747,244 0.86,245 11.429,246 3.179,247 4.141,248 2.943,249 6.033,250 3.647,251 2.68,252 3.912,253 0.8,254 8.621,255 2.592,256 3.719,257 2.792,258 5.486,259 3.426,260 2.485,261 3.152,262 0.4,263 7.145,264 2.345,265 3.565,266 2.766,267 5.273,268 3.327,269 2.402,270 2.976,271 6.649,272 2.214,273 3.457,274 2.484,275 5.222,276 3.157,277 2.229,278 2.698,279 6.487,280 2.056,281 3.371,282 2.302,283 4.979,284 3.018,285 2.072,286 2.46,287 5.852,288 1.953,289 3.21,290 2.015,291 4.868,292 2.829,293 1.908,294 2.256,295 5.452,296 1.672,297 2.775,298 1.307,299 4.137,300 2.272,301 1.28,302 1.91,303 3.435,304 1.267,305 2.324,306 1.252,307 3.769,308 2.153,309 1.175,310 1.283,311 2.649,312 1.147,313 2.108,314 1.09,315 3.336,316 1.816,317 0.843,318 1.058,319 2.043,320 0.81,321 1.776,322 0.944,323 3.091,324 1.591,325 0.618,326 0.662,327 1.052,328 0.6,329 1.618,330 0.744,331 2.795,332 1.455,333 0.579,334 0.618,336 0.791,337 0.501,338 1.394,339 0.389,340 2.653,341 1.123,342 0.171,343 0.188,345 0.322,346 0.161,347 1.198,348 0.27,349 2.618,350 0.947,356 1.106,357 0.134,358 2.614,359 0.71,360 -0.172,361 -0.222,363 -0.389,364 -0.126,365 13.748,366 0.491,367 0.622,368 0.022,369 32.5,370 1.161,371 15,372 0.536,373 17.5,374 0.625,375 28.698,376 1.025,377 31.252,378 0.539,379 22.933,380 0.819,381 6.049,382 0.216,383 7.501,384 0.268,385 0.197,387 0.32,390 0.832,391 1.424,392 0.757,393 1.132,394 0.827,395 1.062,396 1.184,397 1.138,398 0.767,399 0.874,400 0.738,401 0.874,402 1.194,403 0.997,404 0.928,405 0.855,406 0.902,407 0.871,408 0.758,409 1.096,410 0.855,411 1.035,412 0.762,413 1.038,414 0.49,415 0.896,416 0.679,417 0.879,418 0.579,419 0.906,420 0.654,421 1.038,422 0.742,423 0.975,424 0.656,425 0.969,426 1.14,427 1.086,428 1.063,429 1.093,430 1.153,431 1.118,432 1.323,433 0.957,434 1.088,435 0.983,436 1.274,437 1.009,438 6,439 0.157,440 2.889,441 1.813,442 1.862,443 1.083,444 0.81,445 0.401,446 0.275,447 0.231,448 8834,449 19957,450 2.013,451 51.7,453 16,454 1,456 13,457 1.715,458 1.867,459 3.333,460 -0.394,462 83.759,463 1.444,464 3.262,465 4.473,466 5.116,467 5.116,468 5.116,469 2.727,470 4.495,471 4.772,472 3.541,473 1338.48,474 8.328,475 17697.7,477 339.763,478 1.47,479 4.727,480 0.2,481 0.007,482 0.07,483 0.04,484 0.044,485 0.026,486 0.02,487 0.012,488 0.011,489 0.01,490 0.441,491 0.33,492 1,493 1.991,494 139.946,495 0.011,496 -0.178,497 0.037,498 -0.066,499 -0.038,500 -0.013,501 -0.074,502 -0.006,503 0.086,504 0.106,505 0.145,506 0.107,507 -0.122,508 0.1,509 0.013,510 0.108,511 0.048,512 0.097,513 0.041,514 -0.038,515 -0.008,516 -0.057,517 0.064,518 -0.049,519 0.175,520 0.094,521 0.105,522 0.085,523 0.128,524 0.081,525 0.082,526 -0.052,527 0.093,528 0.003,529 0.116,530 0.024,531 -0.11,532 -0.082,533 -0.107,534 -0.124,535 -0.109,536 -0.146,537 -0.125,538 -0.042,539 -0.053,540 -0.016,541 -0.163,542 -0.045,543 0.98,544 2.105,545 0.5,546 28.184,547 0.988,548 1.129,549 3.908,550 15.273,551 0.655,552 3.434,553 3.738,554 4.007,555 4.277,556 4.585,557 4.745,558 4.883,559 5.03,560 5.124,561 5.037,562 6.435,563 0.603,564 400.01,565 3.434,566 4.963,567 5.808,568 6.686,569 7.56,570 8.452,571 9.34,572 10.241,573 11.138,574 12.045,575 5.2,577 1,578 1,581 1,582 4,583 6,584 1,585 3,586 16,588 1,590 1,591 1,592 58,593 16,594 2,595 30,596 60,597 23,598 13,599 6,600 6,602 3,603 6,604 1,605 3,609 3,610 13,611 10,620 30,621 4,622 1,623 5,624 1,625 3,627 0.333,628 1,629 1,631 3,632 2,636 1,637 1,640 4,641 1,643 28,646 5,647 1,648 1,650 1,651 1,653 1,654 1.7,657 1,658 15,659 11.543,660 6.444,661 3.929,662 3.543,663 1.472,664 0.957,665 7.249,666 11.044,667 3.664,668 4.284,669 4.929,670 5.608,671 6.317,672 6.794,673 7.294,674 7.802,675 8.239,676 8.357,677 0.857,678 45,679 10.347,680 4.199,681 7.486,682 20.386,683 16.427,684 1.986,685 55.611,688 341.362,689 126.537,690 37.921,691 39.149,692 11,695 126.537,696 391.51,697 37.921,698 37.359,699 11.386,700 56.857,701 34.796,702 35.059,704 341.362,705 39.149,706 341.362,707 164.458,708 11,709 39.149,710 188.338,711 164.024,712 45.274,713 84.387,714 73.945,716 341.362,717 48.92,718 165.686,719 341.362,720 32.321,721 97.34,722 18.011,723 66.934,724 341.362,725 48.92,726 165.686,727 0.568,728 0.338,729 0.178,730 0.102,731 18,732 9,733 0.15,734 9,735 2,736 1.286,737 3.854,738 239.054,739 0.286,740 14,741 127.851,743 21.006,744 9.663,745 5.024,746 4.002,747 48.92,748 11.911,749 4.803,750 2.636,751 18.011,752 555.968,753 38,758 57.327,759 65.461,760 0.247,761 0.557,762 0.764,763 0.873,764 0.873,765 0.873,766 4.89,767 1.28,768 5.79,769 5.452,770 4.419,771 4.97,772 1.324,773 6.6,774 4.317,775 6.096,776 1.175,777 7.348,778 3.435,779 4.007,780 4.902,781 0.325,782 7.516,783 3.832,784 7.411,785 0.843,786 9.004,787 2.649,788 6.009,789 7.272,790 0.958,791 10.621,792 5.834,793 8.766,794 0.618,795 10.718,796 2.043,797 6.399,798 8.053,799 0.268,800 12.377,801 6.175,802 10.156,803 0.579,804 12.471,805 1.052,806 7.871,807 9.926,808 0.736,809 15.037,810 7.647,811 11.571,812 0.171,813 14.253,814 0.791,815 8.65,816 11.114,817 0.188,818 17.176,819 8.398,820 13.008,822 16.057,823 0.322,824 9.917,825 12.788,826 0.57,827 19.688,828 9.66,829 3.253,830 -0.172,831 17.879,833 10.896,834 14.173,835 0.125,836 21.997,837 10.62,838 2.68,839 11.429,840 19.717,841 -0.389,842 12.086,843 15.768,844 0.439,845 24.457,846 11.801,847 2.485,848 8.621,849 21.568,850 4.747,851 13.164,852 17.244,853 0.082,854 26.839,855 12.863,856 2.402,857 7.145,858 23.431,859 3.912,860 14.332,861 18.808,862 0.334,863 29.282,864 14.017,865 2.229,866 6.649,867 25.303,868 3.152,869 15.459,870 20.325,871 0.054,872 31.693,873 15.127,874 2.072,875 6.487,876 27.182,877 2.976,878 16.624,879 21.88,880 0.252,881 34.131,882 16.276,883 1.908,884 5.852,885 29.069,886 2.698,887 17.775,888 23.417,889 0.035,890 36.556,891 17.408,892 8862,893 13595,894 19.592,895 37.989,896 43.41,897 44.3,898 46.07,899 43.574,900 43.39,901 55.842,902 4.12,903 123.856,904 40.99,905 5.65,906 5.316,907 6.464,908 5.273,909 5.253,910 7.747,911 1.72,912 18.97,913 5.179,914 15.719,915 1.447,916 1.477,917 1.536,918 1.452,919 1.446,920 1.861,921 0.137,922 4.129,923 1.366,924 4.162,925 4.185,926 4.166,927 4.096,928 5.094,929 4.102,930 3.799,931 3.873,932 3.855,933 3.721,934 4.844,935 3.716,936 3.776,937 3.794,938 3.658,939 3.636,940 4.606,941 3.63,942 3.622,943 3.701,944 3.503,945 3.441,946 4.364,947 3.436,948 3.326,949 3.407,950 3.393,951 3.167,952 4.272,953 3.164,954 3.306,955 3.385,956 3.096,957 3.123,958 4.182,959 3.089,960 3.263,961 3.34,962 3.04,963 3.055,964 3.974,965 3.047,966 3.111,967 3.17,968 3.038,969 2.965,970 3.892,971 2.959,972 0.157,973 0.111,974 0.228,975 0.141,976 0.108,977 4.713,978 0.158,979 3.316,980 0.029,981 6.846,982 0.381,983 4.231,984 0.106,985 3.253,986 4.747,987 0.86,988 11.429,989 3.179,990 2.113,991 2.095,992 2.161,993 2.193,994 1.361,995 2.186,996 1.773,997 1.748,998 2.008,999 1.971,1000 1.294,1001 1.988,1002 1.765,1003 1.705,1004 1.886,1005 1.85,1006 1.117,1007 1.858,1008 1.613,1009 1.536,1010 1.858,1011 1.824,1012 0.974,1013 1.849,1014 1.351,1015 1.256,1016 1.725,1017 1.584,1018 0.869,1019 1.638,1020 1.309,1021 1.239,1022 1.642,1023 1.538,1024 0.847,1025 1.574,1026 1.228,1027 1.165,1028 1.569,1029 1.51,1030 0.578,1031 1.533,1032 1.112,1033 1.055,1034 1.311,1035 1.274,1036 0.439,1037 1.298,1038 4.111,1039 5.416,1041 6.929,1043 8.546,1045 10.227,1046 8.382,1047 6.216,1051 5.641,1052 3.751,1053 5.447,1055 0.353,1056 2.469,1058 34.982,1059 83.759,1060 189.192,1061 259.459,1062 296.743,1063 296.743,1064 296.743,1065 45.422,1066 7.501,1067 37.39,1068 37.39,1069 18,1070 12.565,1071 4.087,1072 3.17,1073 49.489,1074 101,1075 124,1076 0.229,1077 221.434,1078 375.2,1079 532.06,1080 17729,1081 1.7,1082 20.096,1083 0.718,1084 0.643,1085 20.596,1086 18.014,1087 13.55,1088 0.452,1089 0.35,1090 10.035,1091 12.833,1092 9.627,1093 8.077,1094 13.838,1095 10.49,1096 11.707,1097 0.286,1098 0.187,1099 12.116,1100 7.682,1101 9.881,1102 0.183,1103 0.103,1104 10.144,1105 5.575,1106 7.994,1107 0.113,1108 0.054,1109 8.229,1110 3.825,1111 6.655,1112 0.069,1113 0.027,1114 6.887,1115 2.575,1116 0.356,1117 87.017,1118 0.226,1119 26.569,1120 0.642,1121 142,1122 349.562,1123 166.587,1124 371.428,1125 509.65,1126 350,1127 166,1128 359.31,1129 185.077,1130 376.949,1131 552.05,1132 355,1133 4}