@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3382

@attribute molecule_id {CHEMBL158286,CHEMBL161115,CHEMBL161465,CHEMBL161602,CHEMBL161714,CHEMBL161740,CHEMBL162188,CHEMBL318444,CHEMBL319809,CHEMBL330641,CHEMBL345360,CHEMBL345812,CHEMBL351500,CHEMBL351613,CHEMBL351900,CHEMBL351915,CHEMBL418785,CHEMBL420454,CHEMBL420999,CHEMBL431806,CHEMBL511115,CHEMBL63,CHEMBL74078,CHEMBL95715,CHEMBL95979,CHEMBL96034,CHEMBL96039,CHEMBL97213,CHEMBL97214,CHEMBL97785,CHEMBL97817,CHEMBL97866,CHEMBL98662,CHEMBL98730,CHEMBL99101,CHEMBL99470}
@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.014 numeric
@attribute C.015 numeric
@attribute C.016 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.027 numeric
@attribute C.028 numeric
@attribute C.029 numeric
@attribute C.031 numeric
@attribute C.032 numeric
@attribute C.033 numeric
@attribute C.034 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_AN numeric
@attribute CATS2D_01_DN numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_01_NL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AP numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_NL numeric
@attribute CATS2D_02_PL numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_NL numeric
@attribute CATS2D_03_PL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DD numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_NL numeric
@attribute CATS2D_04_PL numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_AP numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_05_NL numeric
@attribute CATS2D_05_PL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_AN numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_NL numeric
@attribute CATS2D_06_PL numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_AP numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_NL numeric
@attribute CATS2D_07_PL numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_AN numeric
@attribute CATS2D_08_AP numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_NL numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_AN numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_DD numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_LL numeric
@attribute CATS2D_09_NL numeric
@attribute CENT numeric
@attribute Chi0_AEA.bo. numeric
@attribute Chi0_AEA.dm. numeric
@attribute Chi0_AEA.ed. numeric
@attribute Chi0_AEA.ri. numeric
@attribute Chi0_EA numeric
@attribute Chi0_EA.bo. numeric
@attribute Chi0_EA.dm. numeric
@attribute Chi0_EA.ed. numeric
@attribute Chi0_EA.ri. numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute Chi1_EA.bo. numeric
@attribute Chi1_EA.dm. numeric
@attribute Chi1_EA.ed. numeric
@attribute Chi1_EA.ri. numeric
@attribute CIC0 numeric
@attribute CIC1 numeric
@attribute CIC2 numeric
@attribute CIC3 numeric
@attribute CIC4 numeric
@attribute CIC5 numeric
@attribute CID numeric
@attribute Cl.089 numeric
@attribute CMC.50 numeric
@attribute CMC.80 numeric
@attribute cRo5 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr03 numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr10 numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute Depressant.50 numeric
@attribute Depressant.80 numeric
@attribute DLS_01 numeric
@attribute DLS_02 numeric
@attribute DLS_03 numeric
@attribute DLS_04 numeric
@attribute DLS_05 numeric
@attribute DLS_06 numeric
@attribute DLS_07 numeric
@attribute DLS_cons numeric
@attribute Dz numeric
@attribute ECC numeric
@attribute Eig01_AEA.bo. numeric
@attribute Eig01_AEA.dm. numeric
@attribute Eig01_AEA.ed. numeric
@attribute Eig01_AEA.ri. numeric
@attribute Eig01_EA numeric
@attribute Eig01_EA.bo. numeric
@attribute Eig01_EA.dm. numeric
@attribute Eig01_EA.ed. numeric
@attribute Eig01_EA.ri. numeric
@attribute Eig02_AEA.bo. numeric
@attribute Eig02_AEA.dm. numeric
@attribute Eig02_AEA.ed. numeric
@attribute Eig02_AEA.ri. numeric
@attribute Eig02_EA numeric
@attribute Eig02_EA.bo. numeric
@attribute Eig02_EA.dm. numeric
@attribute Eig02_EA.ed. numeric
@attribute Eig02_EA.ri. numeric
@attribute Eig03_AEA.bo. numeric
@attribute Eig03_AEA.dm. numeric
@attribute Eig03_AEA.ed. numeric
@attribute Eig03_AEA.ri. numeric
@attribute Eig03_EA numeric
@attribute Eig03_EA.bo. numeric
@attribute Eig03_EA.dm. numeric
@attribute Eig03_EA.ed. numeric
@attribute Eig03_EA.ri. numeric
@attribute Eig04_AEA.bo. numeric
@attribute Eig04_AEA.dm. numeric
@attribute Eig04_AEA.ed. numeric
@attribute Eig04_AEA.ri. numeric
@attribute Eig04_EA numeric
@attribute Eig04_EA.bo. numeric
@attribute Eig04_EA.dm. numeric
@attribute Eig04_EA.ed. numeric
@attribute Eig04_EA.ri. numeric
@attribute Eig05_AEA.bo. numeric
@attribute Eig05_AEA.dm. numeric
@attribute Eig05_AEA.ed. numeric
@attribute Eig05_AEA.ri. numeric
@attribute Eig05_EA numeric
@attribute Eig05_EA.bo. numeric
@attribute Eig05_EA.dm. numeric
@attribute Eig05_EA.ed. numeric
@attribute Eig05_EA.ri. numeric
@attribute Eig06_AEA.bo. numeric
@attribute Eig06_AEA.dm. numeric
@attribute Eig06_AEA.ed. numeric
@attribute Eig06_AEA.ri. numeric
@attribute Eig06_EA numeric
@attribute Eig06_EA.bo. numeric
@attribute Eig06_EA.dm. numeric
@attribute Eig06_EA.ed. numeric
@attribute Eig06_EA.ri. numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig07_AEA.dm. numeric
@attribute Eig07_AEA.ed. numeric
@attribute Eig07_AEA.ri. numeric
@attribute Eig07_EA numeric
@attribute Eig07_EA.bo. numeric
@attribute Eig07_EA.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.ed. numeric
@attribute Eig12_EA.ri. numeric
@attribute Eig13_AEA.bo. numeric
@attribute Eig13_AEA.dm. numeric
@attribute Eig13_AEA.ed. numeric
@attribute Eig13_AEA.ri. numeric
@attribute Eig13_EA numeric
@attribute Eig13_EA.bo. numeric
@attribute Eig13_EA.ed. numeric
@attribute Eig13_EA.ri. numeric
@attribute Eig14_AEA.bo. numeric
@attribute Eig14_AEA.dm. numeric
@attribute Eig14_AEA.ed. numeric
@attribute Eig14_AEA.ri. numeric
@attribute Eig14_EA numeric
@attribute Eig14_EA.bo. numeric
@attribute Eig14_EA.ed. numeric
@attribute Eig14_EA.ri. numeric
@attribute Eig15_AEA.bo. numeric
@attribute Eig15_AEA.dm. numeric
@attribute Eig15_AEA.ed. numeric
@attribute Eig15_AEA.ri. numeric
@attribute Eig15_EA numeric
@attribute Eig15_EA.bo. numeric
@attribute Eig15_EA.ed. numeric
@attribute Eig15_EA.ri. numeric
@attribute Eta_alpha numeric
@attribute Eta_alpha_A numeric
@attribute Eta_B numeric
@attribute Eta_B_A numeric
@attribute Eta_beta numeric
@attribute Eta_beta_A numeric
@attribute Eta_betaP numeric
@attribute Eta_betaP_A numeric
@attribute Eta_betaS numeric
@attribute Eta_betaS_A numeric
@attribute Eta_C numeric
@attribute Eta_C_A numeric
@attribute Eta_epsi numeric
@attribute Eta_epsi_A numeric
@attribute Eta_F numeric
@attribute Eta_F_A numeric
@attribute Eta_FL numeric
@attribute Eta_FL_A numeric
@attribute Eta_L numeric
@attribute Eta_L_A numeric
@attribute Eta_sh_p numeric
@attribute Eta_sh_x numeric
@attribute Eta_sh_y numeric
@attribute F.085 numeric
@attribute GATS1e numeric
@attribute GATS1i numeric
@attribute GATS1m numeric
@attribute GATS1p numeric
@attribute GATS1s numeric
@attribute GATS1v numeric
@attribute GATS2e numeric
@attribute GATS2i numeric
@attribute GATS2m numeric
@attribute GATS2p numeric
@attribute GATS2s numeric
@attribute GATS2v numeric
@attribute GATS3e numeric
@attribute GATS3i numeric
@attribute GATS3m numeric
@attribute GATS3p numeric
@attribute GATS3s numeric
@attribute GATS3v numeric
@attribute GATS4e numeric
@attribute GATS4i numeric
@attribute GATS4m numeric
@attribute GATS4p numeric
@attribute GATS4s numeric
@attribute GATS4v numeric
@attribute GATS5e numeric
@attribute GATS5i numeric
@attribute GATS5m numeric
@attribute GATS5p numeric
@attribute GATS5s numeric
@attribute GATS5v numeric
@attribute GATS6e numeric
@attribute GATS6i numeric
@attribute GATS6m numeric
@attribute GATS6p numeric
@attribute GATS6s numeric
@attribute GATS6v numeric
@attribute GATS7e numeric
@attribute GATS7i numeric
@attribute GATS7m numeric
@attribute GATS7p numeric
@attribute GATS7s numeric
@attribute GATS7v numeric
@attribute GATS8e numeric
@attribute GATS8i numeric
@attribute GATS8m numeric
@attribute GATS8p numeric
@attribute GATS8s numeric
@attribute GATS8v numeric
@attribute GGI1 numeric
@attribute GGI10 numeric
@attribute GGI2 numeric
@attribute GGI3 numeric
@attribute GGI4 numeric
@attribute GGI5 numeric
@attribute GGI6 numeric
@attribute GGI7 numeric
@attribute GGI8 numeric
@attribute GGI9 numeric
@attribute GMTI numeric
@attribute GMTIV numeric
@attribute GNar numeric
@attribute H. numeric
@attribute H.046 numeric
@attribute H.047 numeric
@attribute H.048 numeric
@attribute H.049 numeric
@attribute H.050 numeric
@attribute H.051 numeric
@attribute H.052 numeric
@attribute H.053 numeric
@attribute HDcpx numeric
@attribute HNar numeric
@attribute HVcpx numeric
@attribute Hy numeric
@attribute Hypertens.50 numeric
@attribute Hypertens.80 numeric
@attribute Hypnotic.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.50 numeric
@attribute Infective.80 numeric
@attribute Inflammat.50 numeric
@attribute Inflammat.80 numeric
@attribute ISIZ numeric
@attribute IVDE numeric
@attribute IVDM numeric
@attribute JGI1 numeric
@attribute JGI10 numeric
@attribute JGI2 numeric
@attribute JGI3 numeric
@attribute JGI4 numeric
@attribute JGI5 numeric
@attribute JGI6 numeric
@attribute JGI7 numeric
@attribute JGI8 numeric
@attribute JGI9 numeric
@attribute JGT numeric
@attribute LLS_01 numeric
@attribute LLS_02 numeric
@attribute LOC numeric
@attribute LPRS numeric
@attribute MATS1e numeric
@attribute MATS1i numeric
@attribute MATS1m numeric
@attribute MATS1p numeric
@attribute MATS1s numeric
@attribute MATS1v numeric
@attribute MATS2e numeric
@attribute MATS2i numeric
@attribute MATS2m numeric
@attribute MATS2p numeric
@attribute MATS2s numeric
@attribute MATS2v numeric
@attribute MATS3e numeric
@attribute MATS3i numeric
@attribute MATS3m numeric
@attribute MATS3p numeric
@attribute MATS3s numeric
@attribute MATS3v numeric
@attribute MATS4e numeric
@attribute MATS4i numeric
@attribute MATS4m numeric
@attribute MATS4p numeric
@attribute MATS4s numeric
@attribute MATS4v numeric
@attribute MATS5e numeric
@attribute MATS5i numeric
@attribute MATS5m numeric
@attribute MATS5p numeric
@attribute MATS5s numeric
@attribute MATS5v numeric
@attribute MATS6e numeric
@attribute MATS6i numeric
@attribute MATS6m numeric
@attribute MATS6p numeric
@attribute MATS6s numeric
@attribute MATS6v numeric
@attribute MATS7e numeric
@attribute MATS7i numeric
@attribute MATS7m numeric
@attribute MATS7p numeric
@attribute MATS7s numeric
@attribute MATS7v numeric
@attribute MATS8e numeric
@attribute MATS8i numeric
@attribute MATS8m numeric
@attribute MATS8p numeric
@attribute MATS8s numeric
@attribute MATS8v numeric
@attribute MAXDN numeric
@attribute MAXDP numeric
@attribute MCD numeric
@attribute MDDD numeric
@attribute Me numeric
@attribute Mi numeric
@attribute MLOGP numeric
@attribute MLOGP2 numeric
@attribute Mp numeric
@attribute MPC01 numeric
@attribute MPC02 numeric
@attribute MPC03 numeric
@attribute MPC04 numeric
@attribute MPC05 numeric
@attribute MPC06 numeric
@attribute MPC07 numeric
@attribute MPC08 numeric
@attribute MPC09 numeric
@attribute MPC10 numeric
@attribute MSD numeric
@attribute Mv numeric
@attribute MW numeric
@attribute MWC01 numeric
@attribute MWC02 numeric
@attribute MWC03 numeric
@attribute MWC04 numeric
@attribute MWC05 numeric
@attribute MWC06 numeric
@attribute MWC07 numeric
@attribute MWC08 numeric
@attribute MWC09 numeric
@attribute MWC10 numeric
@attribute N. numeric
@attribute N.068 numeric
@attribute N.069 numeric
@attribute N.070 numeric
@attribute N.071 numeric
@attribute N.072 numeric
@attribute N.074 numeric
@attribute N.075 numeric
@attribute N.076 numeric
@attribute NaaaC numeric
@attribute NaaCH numeric
@attribute NaaN numeric
@attribute NaaO numeric
@attribute NaaS numeric
@attribute NaasC numeric
@attribute nAB numeric
@attribute nArCN numeric
@attribute nArCONR2 numeric
@attribute nArCOOH numeric
@attribute nArNH2 numeric
@attribute nArNHR numeric
@attribute nArNO2 numeric
@attribute nArNR2 numeric
@attribute nArOH numeric
@attribute nArOR numeric
@attribute nArX numeric
@attribute nAT numeric
@attribute nBM numeric
@attribute nBnz numeric
@attribute nBO numeric
@attribute 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 nCrq numeric
@attribute nCrs numeric
@attribute nCrt numeric
@attribute nCs numeric
@attribute nCsp numeric
@attribute nCsp2 numeric
@attribute nCsp3 numeric
@attribute nCt numeric
@attribute nDB numeric
@attribute NdCH2 numeric
@attribute NddsN numeric
@attribute NddssS numeric
@attribute NdO numeric
@attribute NdsCH numeric
@attribute NdssC numeric
@attribute Neoplastic.50 numeric
@attribute Neoplastic.80 numeric
@attribute nF numeric
@attribute nFuranes numeric
@attribute nH numeric
@attribute nHAcc numeric
@attribute nHDon numeric
@attribute nHet numeric
@attribute nHM numeric
@attribute nN numeric
@attribute NNRS numeric
@attribute nO numeric
@attribute nOHp numeric
@attribute nPyridines numeric
@attribute nPyrimidines numeric
@attribute nR03 numeric
@attribute nR05 numeric
@attribute nR06 numeric
@attribute nR10 numeric
@attribute nRCN numeric
@attribute nRCONHR numeric
@attribute nRCOOH numeric
@attribute nRCOOR numeric
@attribute nR.Cp numeric
@attribute nR.Cs numeric
@attribute nRNR2 numeric
@attribute nROH numeric
@attribute nROR numeric
@attribute NRS numeric
@attribute nRSR numeric
@attribute nS numeric
@attribute NsCH3 numeric
@attribute NsCl numeric
@attribute NsF numeric
@attribute nSK numeric
@attribute NsNH2 numeric
@attribute nSO3 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 nTB numeric
@attribute nThiophenes numeric
@attribute NtN numeric
@attribute NtsC numeric
@attribute nX numeric
@attribute O. numeric
@attribute O.056 numeric
@attribute O.057 numeric
@attribute O.058 numeric
@attribute O.059 numeric
@attribute O.060 numeric
@attribute O.061 numeric
@attribute 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.50 numeric
@attribute Psychotic.80 numeric
@attribute P_VSA_e_1 numeric
@attribute P_VSA_e_2 numeric
@attribute P_VSA_e_3 numeric
@attribute P_VSA_e_4 numeric
@attribute P_VSA_e_5 numeric
@attribute P_VSA_e_6 numeric
@attribute P_VSA_i_1 numeric
@attribute P_VSA_i_2 numeric
@attribute P_VSA_i_3 numeric
@attribute P_VSA_i_4 numeric
@attribute P_VSA_LogP_1 numeric
@attribute P_VSA_LogP_2 numeric
@attribute P_VSA_LogP_3 numeric
@attribute P_VSA_LogP_4 numeric
@attribute P_VSA_LogP_5 numeric
@attribute P_VSA_LogP_6 numeric
@attribute P_VSA_LogP_7 numeric
@attribute P_VSA_LogP_8 numeric
@attribute P_VSA_m_1 numeric
@attribute P_VSA_m_2 numeric
@attribute P_VSA_m_3 numeric
@attribute P_VSA_m_4 numeric
@attribute P_VSA_MR_1 numeric
@attribute P_VSA_MR_2 numeric
@attribute P_VSA_MR_3 numeric
@attribute P_VSA_MR_4 numeric
@attribute P_VSA_MR_5 numeric
@attribute P_VSA_MR_6 numeric
@attribute P_VSA_MR_7 numeric
@attribute P_VSA_MR_8 numeric
@attribute P_VSA_p_1 numeric
@attribute P_VSA_p_2 numeric
@attribute P_VSA_p_3 numeric
@attribute P_VSA_s_1 numeric
@attribute P_VSA_s_2 numeric
@attribute P_VSA_s_3 numeric
@attribute P_VSA_s_4 numeric
@attribute P_VSA_s_5 numeric
@attribute P_VSA_s_6 numeric
@attribute P_VSA_v_1 numeric
@attribute P_VSA_v_2 numeric
@attribute P_VSA_v_3 numeric
@attribute PW2 numeric
@attribute PW3 numeric
@attribute PW4 numeric
@attribute PW5 numeric
@attribute Qindex numeric
@attribute Ram numeric
@attribute RBF numeric
@attribute RBN numeric
@attribute Rbrid numeric
@attribute RCI numeric
@attribute RDCHI numeric
@attribute RDSQ numeric
@attribute RFD numeric
@attribute Rperim numeric
@attribute S0K numeric
@attribute S.107 numeric
@attribute S.110 numeric
@attribute S1K numeric
@attribute S2K numeric
@attribute S3K numeric
@attribute SaaaC numeric
@attribute SAacc numeric
@attribute SaaCH numeric
@attribute SaaN numeric
@attribute SaaO numeric
@attribute SaaS numeric
@attribute SaasC numeric
@attribute SAdon numeric
@attribute SAtot numeric
@attribute SCBO numeric
@attribute SdCH2 numeric
@attribute SddsN numeric
@attribute SddssS numeric
@attribute SdO numeric
@attribute SdsCH numeric
@attribute SdssC numeric
@attribute Se numeric
@attribute Si numeric
@attribute SIC0 numeric
@attribute SIC1 numeric
@attribute SIC2 numeric
@attribute SIC3 numeric
@attribute SIC4 numeric
@attribute SIC5 numeric
@attribute SM02_AEA.bo. numeric
@attribute SM02_AEA.dm. numeric
@attribute SM02_AEA.ed. numeric
@attribute SM02_AEA.ri. numeric
@attribute SM02_EA numeric
@attribute SM02_EA.bo. numeric
@attribute SM02_EA.dm. numeric
@attribute SM02_EA.ed. numeric
@attribute SM02_EA.ri. numeric
@attribute SM03_AEA.bo. numeric
@attribute SM03_AEA.dm. numeric
@attribute SM03_AEA.ed. numeric
@attribute SM03_AEA.ri. numeric
@attribute SM03_EA numeric
@attribute SM03_EA.bo. numeric
@attribute SM03_EA.dm. numeric
@attribute SM03_EA.ed. numeric
@attribute SM03_EA.ri. numeric
@attribute SM04_AEA.bo. numeric
@attribute SM04_AEA.dm. numeric
@attribute SM04_AEA.ed. numeric
@attribute SM04_AEA.ri. numeric
@attribute SM04_EA numeric
@attribute SM04_EA.bo. numeric
@attribute SM04_EA.dm. numeric
@attribute SM04_EA.ed. numeric
@attribute SM04_EA.ri. numeric
@attribute SM05_AEA.bo. numeric
@attribute SM05_AEA.dm. numeric
@attribute SM05_AEA.ed. numeric
@attribute SM05_AEA.ri. numeric
@attribute SM05_EA numeric
@attribute SM05_EA.bo. numeric
@attribute SM05_EA.dm. numeric
@attribute SM05_EA.ed. numeric
@attribute SM05_EA.ri. numeric
@attribute SM06_AEA.bo. numeric
@attribute SM06_AEA.dm. numeric
@attribute SM06_AEA.ed. numeric
@attribute SM06_AEA.ri. numeric
@attribute SM06_EA numeric
@attribute SM06_EA.bo. numeric
@attribute SM06_EA.dm. numeric
@attribute SM06_EA.ed. numeric
@attribute SM06_EA.ri. numeric
@attribute SM07_AEA.bo. numeric
@attribute SM07_AEA.dm. numeric
@attribute SM07_AEA.ed. numeric
@attribute SM07_AEA.ri. numeric
@attribute SM07_EA numeric
@attribute SM07_EA.bo. numeric
@attribute SM07_EA.dm. numeric
@attribute SM07_EA.ed. numeric
@attribute SM07_EA.ri. numeric
@attribute SM08_AEA.bo. numeric
@attribute SM08_AEA.dm. numeric
@attribute SM08_AEA.ed. numeric
@attribute SM08_AEA.ri. numeric
@attribute SM08_EA numeric
@attribute SM08_EA.bo. numeric
@attribute SM08_EA.dm. numeric
@attribute SM08_EA.ed. numeric
@attribute SM08_EA.ri. numeric
@attribute SM09_AEA.bo. numeric
@attribute SM09_AEA.dm. numeric
@attribute SM09_AEA.ed. numeric
@attribute SM09_AEA.ri. numeric
@attribute SM09_EA numeric
@attribute SM09_EA.bo. numeric
@attribute SM09_EA.dm. numeric
@attribute SM09_EA.ed. numeric
@attribute SM09_EA.ri. numeric
@attribute SM10_AEA.bo. numeric
@attribute SM10_AEA.dm. numeric
@attribute SM10_AEA.ed. numeric
@attribute SM10_AEA.ri. numeric
@attribute SM10_EA numeric
@attribute SM10_EA.bo. numeric
@attribute SM10_EA.dm. numeric
@attribute SM10_EA.ed. numeric
@attribute SM10_EA.ri. numeric
@attribute SM11_AEA.bo. numeric
@attribute SM11_AEA.dm. numeric
@attribute SM11_AEA.ed. numeric
@attribute SM11_AEA.ri. numeric
@attribute SM11_EA numeric
@attribute SM11_EA.bo. numeric
@attribute SM11_EA.dm. numeric
@attribute SM11_EA.ed. numeric
@attribute SM11_EA.ri. numeric
@attribute SM12_AEA.bo. numeric
@attribute SM12_AEA.dm. numeric
@attribute SM12_AEA.ed. numeric
@attribute SM12_AEA.ri. numeric
@attribute SM12_EA numeric
@attribute SM12_EA.bo. numeric
@attribute SM12_EA.dm. numeric
@attribute SM12_EA.ed. numeric
@attribute SM12_EA.ri. numeric
@attribute SM13_AEA.bo. numeric
@attribute SM13_AEA.dm. numeric
@attribute SM13_AEA.ed. numeric
@attribute SM13_AEA.ri. numeric
@attribute SM13_EA numeric
@attribute SM13_EA.bo. numeric
@attribute SM13_EA.dm. numeric
@attribute SM13_EA.ed. numeric
@attribute SM13_EA.ri. numeric
@attribute SM14_AEA.bo. numeric
@attribute SM14_AEA.dm. numeric
@attribute SM14_AEA.ed. numeric
@attribute SM14_AEA.ri. numeric
@attribute SM14_EA numeric
@attribute SM14_EA.bo. numeric
@attribute SM14_EA.dm. numeric
@attribute SM14_EA.ed. numeric
@attribute SM14_EA.ri. numeric
@attribute SM15_AEA.bo. numeric
@attribute SM15_AEA.dm. numeric
@attribute SM15_AEA.ed. numeric
@attribute SM15_AEA.ri. numeric
@attribute SM15_EA numeric
@attribute SM15_EA.bo. numeric
@attribute SM15_EA.dm. numeric
@attribute SM15_EA.ed. numeric
@attribute SM15_EA.ri. numeric
@attribute SMTI numeric
@attribute SMTIV numeric
@attribute SNar numeric
@attribute Sp numeric
@attribute SpAD_AEA.bo. numeric
@attribute SpAD_AEA.dm. numeric
@attribute SpAD_AEA.ed. numeric
@attribute SpAD_AEA.ri. numeric
@attribute SpAD_EA numeric
@attribute SpAD_EA.bo. numeric
@attribute SpAD_EA.dm. numeric
@attribute SpAD_EA.ed. numeric
@attribute SpAD_EA.ri. numeric
@attribute SpDiam_AEA.bo. numeric
@attribute SpDiam_AEA.dm. numeric
@attribute SpDiam_AEA.ed. numeric
@attribute SpDiam_AEA.ri. numeric
@attribute SpDiam_EA numeric
@attribute SpDiam_EA.bo. numeric
@attribute SpDiam_EA.dm. numeric
@attribute SpDiam_EA.ed. numeric
@attribute SpDiam_EA.ri. numeric
@attribute SPI numeric
@attribute SpMAD_AEA.bo. numeric
@attribute SpMAD_AEA.dm. numeric
@attribute SpMAD_AEA.ed. numeric
@attribute SpMAD_AEA.ri. numeric
@attribute SpMAD_EA numeric
@attribute SpMAD_EA.bo. numeric
@attribute SpMAD_EA.dm. numeric
@attribute SpMAD_EA.ed. numeric
@attribute SpMAD_EA.ri. numeric
@attribute SpMax1_Bh.e. numeric
@attribute SpMax1_Bh.i. numeric
@attribute SpMax1_Bh.m. numeric
@attribute SpMax1_Bh.p. numeric
@attribute SpMax1_Bh.s. numeric
@attribute SpMax1_Bh.v. numeric
@attribute SpMax2_Bh.e. numeric
@attribute SpMax2_Bh.i. numeric
@attribute SpMax2_Bh.m. numeric
@attribute SpMax2_Bh.p. numeric
@attribute SpMax2_Bh.s. numeric
@attribute SpMax2_Bh.v. numeric
@attribute SpMax3_Bh.e. numeric
@attribute SpMax3_Bh.i. numeric
@attribute SpMax3_Bh.m. numeric
@attribute SpMax3_Bh.p. numeric
@attribute SpMax3_Bh.s. numeric
@attribute SpMax3_Bh.v. numeric
@attribute SpMax4_Bh.e. numeric
@attribute SpMax4_Bh.i. numeric
@attribute SpMax4_Bh.m. numeric
@attribute SpMax4_Bh.p. numeric
@attribute SpMax4_Bh.s. numeric
@attribute SpMax4_Bh.v. numeric
@attribute SpMax5_Bh.e. numeric
@attribute SpMax5_Bh.i. numeric
@attribute SpMax5_Bh.m. numeric
@attribute SpMax5_Bh.p. numeric
@attribute SpMax5_Bh.s. numeric
@attribute SpMax5_Bh.v. numeric
@attribute SpMax6_Bh.e. numeric
@attribute SpMax6_Bh.i. numeric
@attribute SpMax6_Bh.m. numeric
@attribute SpMax6_Bh.p. numeric
@attribute SpMax6_Bh.s. numeric
@attribute SpMax6_Bh.v. numeric
@attribute SpMax7_Bh.e. numeric
@attribute SpMax7_Bh.i. numeric
@attribute SpMax7_Bh.m. numeric
@attribute SpMax7_Bh.p. numeric
@attribute SpMax7_Bh.s. numeric
@attribute SpMax7_Bh.v. numeric
@attribute SpMax8_Bh.e. numeric
@attribute SpMax8_Bh.i. numeric
@attribute SpMax8_Bh.m. numeric
@attribute SpMax8_Bh.p. numeric
@attribute SpMax8_Bh.s. numeric
@attribute SpMax8_Bh.v. numeric
@attribute SpMaxA_AEA.bo. numeric
@attribute SpMaxA_AEA.dm. numeric
@attribute SpMaxA_AEA.ed. numeric
@attribute SpMaxA_AEA.ri. numeric
@attribute SpMaxA_EA numeric
@attribute SpMax_AEA.bo. numeric
@attribute SpMaxA_EA.bo. numeric
@attribute SpMax_AEA.dm. numeric
@attribute SpMaxA_EA.dm. numeric
@attribute SpMax_AEA.ed. numeric
@attribute SpMaxA_EA.ed. numeric
@attribute SpMax_AEA.ri. numeric
@attribute SpMaxA_EA.ri. numeric
@attribute SpMax_EA numeric
@attribute SpMax_EA.bo. numeric
@attribute SpMax_EA.dm. numeric
@attribute SpMax_EA.ed. numeric
@attribute SpMax_EA.ri. numeric
@attribute SpMin1_Bh.e. numeric
@attribute SpMin1_Bh.i. numeric
@attribute SpMin1_Bh.m. numeric
@attribute SpMin1_Bh.p. numeric
@attribute SpMin1_Bh.s. numeric
@attribute SpMin1_Bh.v. numeric
@attribute SpMin2_Bh.e. numeric
@attribute SpMin2_Bh.i. numeric
@attribute SpMin2_Bh.m. numeric
@attribute SpMin2_Bh.p. numeric
@attribute SpMin2_Bh.s. numeric
@attribute SpMin2_Bh.v. numeric
@attribute SpMin3_Bh.e. numeric
@attribute SpMin3_Bh.i. numeric
@attribute SpMin3_Bh.m. numeric
@attribute SpMin3_Bh.p. numeric
@attribute SpMin3_Bh.s. numeric
@attribute SpMin3_Bh.v. numeric
@attribute SpMin4_Bh.e. numeric
@attribute SpMin4_Bh.i. numeric
@attribute SpMin4_Bh.m. numeric
@attribute SpMin4_Bh.p. numeric
@attribute SpMin4_Bh.s. numeric
@attribute SpMin4_Bh.v. numeric
@attribute SpMin5_Bh.e. numeric
@attribute SpMin5_Bh.i. numeric
@attribute SpMin5_Bh.m. numeric
@attribute SpMin5_Bh.p. numeric
@attribute SpMin5_Bh.s. numeric
@attribute SpMin5_Bh.v. numeric
@attribute SpMin6_Bh.e. numeric
@attribute SpMin6_Bh.i. numeric
@attribute SpMin6_Bh.m. numeric
@attribute SpMin6_Bh.p. numeric
@attribute SpMin6_Bh.s. numeric
@attribute SpMin6_Bh.v. numeric
@attribute SpMin7_Bh.e. numeric
@attribute SpMin7_Bh.i. numeric
@attribute SpMin7_Bh.m. numeric
@attribute SpMin7_Bh.p. numeric
@attribute SpMin7_Bh.s. numeric
@attribute SpMin7_Bh.v. numeric
@attribute SpMin8_Bh.e. numeric
@attribute SpMin8_Bh.i. numeric
@attribute SpMin8_Bh.m. numeric
@attribute SpMin8_Bh.p. numeric
@attribute SpMin8_Bh.s. numeric
@attribute SpMin8_Bh.v. numeric
@attribute SRW02 numeric
@attribute SRW03 numeric
@attribute SRW04 numeric
@attribute SRW05 numeric
@attribute SRW06 numeric
@attribute SRW07 numeric
@attribute SRW08 numeric
@attribute SRW09 numeric
@attribute SRW10 numeric
@attribute SsCH3 numeric
@attribute SsCl numeric
@attribute SsF numeric
@attribute SsNH2 numeric
@attribute SsOH numeric
@attribute SssCH2 numeric
@attribute SssNH numeric
@attribute SssO numeric
@attribute SssS numeric
@attribute SsssCH numeric
@attribute SsssN numeric
@attribute SssssC numeric
@attribute StN numeric
@attribute StsC numeric
@attribute Sv numeric
@attribute TIC0 numeric
@attribute TIC1 numeric
@attribute TIC2 numeric
@attribute TIC3 numeric
@attribute TIC4 numeric
@attribute TIC5 numeric
@attribute TIE numeric
@attribute TPC numeric
@attribute TPSA.NO. numeric
@attribute TPSA.Tot. numeric
@attribute TRS numeric
@attribute TWC numeric
@attribute Uc numeric
@attribute Ui numeric
@attribute Uindex numeric
@attribute UNIP numeric
@attribute VAR numeric
@attribute Vindex numeric
@attribute VvdwMG numeric
@attribute VvdwZAZ numeric
@attribute Vx numeric
@attribute Wap numeric
@attribute X. numeric
@attribute X0 numeric
@attribute X0A numeric
@attribute X0Av numeric
@attribute X0sol numeric
@attribute X0v numeric
@attribute X1 numeric
@attribute X1A numeric
@attribute X1Av numeric
@attribute X1Kup numeric
@attribute X1Mad numeric
@attribute X1MulPer numeric
@attribute X1Per numeric
@attribute X1sol numeric
@attribute X1v numeric
@attribute X2 numeric
@attribute X2A numeric
@attribute X2Av numeric
@attribute X2sol numeric
@attribute X2v numeric
@attribute X3 numeric
@attribute X3A numeric
@attribute X3Av numeric
@attribute X3sol numeric
@attribute X3v numeric
@attribute X4 numeric
@attribute X4A numeric
@attribute X4Av numeric
@attribute X4sol numeric
@attribute X4v numeric
@attribute X5 numeric
@attribute X5A numeric
@attribute X5Av numeric
@attribute X5sol numeric
@attribute X5v numeric
@attribute Xindex numeric
@attribute XMOD numeric
@attribute Xt numeric
@attribute Xu numeric
@attribute Yindex numeric
@attribute ZM1 numeric
@attribute ZM1Kup numeric
@attribute ZM1Mad numeric
@attribute ZM1MulPer numeric
@attribute ZM1Per numeric
@attribute ZM1V numeric
@attribute ZM2 numeric
@attribute ZM2Kup numeric
@attribute ZM2Mad numeric
@attribute ZM2MulPer numeric
@attribute ZM2Per numeric
@attribute ZM2V numeric
@attribute pXC50 numeric

@data
{1 2.08,2 8.731,3 4.925,4 24.259,5 84.854,6 11.157,7 0.607,8 3.699,9 3.743,10 3.736,11 3.313,12 5.062,13 3.342,14 4.228,15 4.289,16 4.183,17 3.626,18 6.209,19 3.692,20 4.412,21 4.515,22 4.156,23 3.714,24 6.471,25 3.758,26 4.275,27 4.414,28 3.926,29 3.669,30 5.744,31 3.679,32 4.315,33 4.433,34 4.035,35 3.671,36 5.934,37 3.706,38 4.332,39 4.442,40 4.03,41 3.672,42 5.888,43 3.698,44 4.336,45 4.452,46 4.016,47 3.585,48 6.045,49 3.626,50 4.287,51 4.43,52 3.852,53 3.292,54 6.171,55 3.385,56 0.288,57 0.728,58 3.038,59 3.389,60 65.67,61 2.12,62 1.035,63 1.551,64 6.832,65 5.541,66 195.902,67 3.347,68 1.426,69 1.175,70 8.111,71 5.901,72 223.874,73 4.797,74 0.668,75 1.075,76 8.175,77 5.362,78 105.904,79 4.671,80 0.804,81 1.213,82 6.024,83 5.279,84 114.579,85 3.798,86 0.905,87 1.251,88 8.188,89 6.269,90 146.681,91 4.201,92 0.919,93 1.256,94 12.592,95 6.916,96 153.137,97 5.394,98 1.133,99 1.301,100 12.925,101 6.334,102 188.487,103 4.549,104 43,105 42,106 0.371,107 0.633,108 0.77,109 0.873,110 0.873,111 0.873,112 3.305,113 0.899,114 -3.47,115 -3.45,116 -3.29,117 47.1,125 1,128 7,129 3,131 1,132 2,133 1,138 1,145 9,147 4,148 6,152 8,155 1,156 9,159 5,162 2,163 11,167 4,170 1,171 10,175 7,178 1,179 7,183 7,186 3,187 8,191 4,194 1,195 6,200 1,203 3,210 972,211 16.759,212 16.759,213 16.759,214 16.759,215 16.759,216 14.446,217 9.002,218 9.561,219 17.393,220 13.768,221 13.768,222 13.768,223 13.768,224 13.768,225 10.071,226 7.113,227 4.467,228 14.924,229 3.008,230 1.541,231 0.777,232 0.199,233 0.199,234 0.199,235 3.978,238 1,239 1,240 471,241 4.123,244 202.938,245 112.684,246 1.29,247 55.715,250 1,251 1,252 1,253 0.4,255 1,256 1,257 0.77,258 61,259 227,260 5,261 5.697,262 8.104,263 4.515,264 3.691,265 4.704,266 6.006,267 14.439,268 3.117,269 4.595,270 4.058,271 6.716,272 4.134,273 3.162,274 4.516,275 2.035,276 10.96,277 3.042,278 4.114,279 3.8,280 5.822,281 3.634,282 2.643,283 3.738,284 1.914,285 8.095,286 2.62,287 3.712,288 3.157,289 5.54,290 3.205,291 2.324,292 3.074,294 7.269,295 2.187,296 3.626,297 2.626,298 5.267,299 3.195,300 2.211,301 2.984,303 6.575,304 2.02,305 3.297,306 2.366,307 5.008,308 2.786,309 1.909,310 2.374,312 5.846,313 1.6,314 3.207,315 2.208,316 4.568,317 2.542,318 1.56,319 2.323,320 4.444,321 1.53,322 2.892,323 1.562,324 3.751,325 2.363,326 1.398,327 2.075,328 3.035,329 1.344,330 2.834,331 1.452,332 3.588,333 2.186,334 1.195,335 1.772,336 2.666,337 1.183,338 2.613,339 1.253,340 3.471,341 1.751,342 0.8,343 1.182,344 2.108,345 0.759,346 2.281,347 1.183,348 3.307,349 1.372,350 0.427,351 0.868,352 0.621,353 0.402,354 1.345,355 0.794,356 2.806,357 0.907,358 -0.031,359 -0.041,360 -0.088,361 -0.029,362 1.006,363 0.51,364 2.75,365 0.551,366 -0.408,367 -0.551,368 -1.141,369 -0.39,370 1,371 0.51,372 2.667,373 0.311,374 -0.662,375 -0.964,376 -1.611,377 -0.64,378 0.831,379 0.037,380 2.37,381 0.226,382 -0.748,383 -1,384 -1.864,385 -0.7,386 11.89,387 0.457,388 0.962,389 0.037,390 39.5,391 1.519,392 22.5,393 0.865,394 17,395 0.654,396 16.299,397 0.627,398 27.71,399 0.815,400 33.236,401 1.278,402 7.785,403 0.299,404 4.425,405 0.17,406 0.162,407 0.112,408 0.252,409 3,410 0.563,411 0.921,412 0.687,413 1.24,414 0.664,415 0.851,416 0.379,417 0.76,418 0.549,419 1.041,420 0.486,421 0.915,422 0.293,423 0.688,424 0.582,425 0.727,426 0.284,427 0.938,428 0.524,429 0.716,430 0.804,431 0.885,432 0.493,433 0.997,434 0.752,435 0.692,436 0.817,437 0.81,438 0.699,439 0.939,440 1.069,441 0.954,442 1.162,443 1.088,444 0.959,445 1.109,446 1.017,447 1.076,448 1.221,449 1.269,450 0.989,451 1.133,452 1.48,453 1.268,454 1.345,455 1.193,456 1.575,457 1.18,458 7.5,459 0.087,460 3.778,461 1.875,462 1.729,463 0.91,464 0.977,465 0.729,466 0.424,467 0.268,468 6660,469 32044,470 1.974,471 23.5,473 7,475 1,480 1.698,481 1.793,482 3.121,483 -0.608,487 70.709,488 2.08,489 3.546,490 4.311,491 4.889,492 4.889,493 4.889,494 2.519,495 4.056,496 4.673,497 3.269,498 1062.48,499 8.139,500 12949.2,502 1,505 172.974,506 1.776,507 4.584,508 0.268,509 0.01,510 0.09,511 0.043,512 0.045,513 0.023,514 0.026,515 0.02,516 0.015,517 0.016,518 0.554,519 0.5,520 1,521 1.315,522 124.49,523 0.024,524 -0.085,525 0.182,526 -0.187,527 -0.108,528 -0.027,529 0.52,530 0.212,531 0.252,532 -0.086,533 0.339,534 -0.119,535 0.582,536 0.152,537 0.188,538 0.113,539 0.515,540 -0.017,541 0.031,542 -0.063,543 0.043,544 -0.038,545 0.042,546 0.018,547 -0.026,548 0.081,549 -0.011,550 0.048,551 -0.027,552 -0.023,553 -0.223,554 -0.08,555 -0.177,556 -0.083,557 -0.167,558 -0.135,559 -0.116,560 -0.23,561 -0.06,562 -0.187,563 -0.071,564 -0.061,565 -0.245,566 -0.177,567 -0.147,568 -0.124,569 -0.261,570 -0.092,571 6.834,572 4.566,573 0.615,574 20.615,575 1.072,576 1.139,577 2.241,578 5.023,579 0.732,580 3.367,581 3.761,582 3.989,583 4.174,584 4.466,585 4.564,586 4.787,587 4.92,588 4.97,589 4.86,590 5.513,591 0.754,592 379.34,593 3.367,594 4.949,595 5.802,596 6.706,597 7.587,598 8.49,599 9.383,600 10.286,601 11.183,602 12.087,603 8.8,609 1,610 2,612 2,613 8,614 2,617 4,618 17,619 1,629 34,630 20,631 1,632 28,633 36,634 16,635 14,636 2,637 4,639 3,640 4,648 1,649 14,650 1,652 2,655 1,656 2,661 3,663 8,664 9,666 10,667 1,668 3,669 0.667,670 3,672 2,676 3,677 1,687 2,689 1,692 3,693 26,695 1,699 1,703 1,704 1,706 1,707 1,708 3,709 8.8,712 2,714 1,716 14.5,717 6.362,718 5.521,719 1.818,720 3.696,721 1.512,722 1.002,723 4.378,724 10.907,725 3.726,726 4.394,727 4.965,728 5.538,729 6.185,730 6.566,731 7.107,732 7.561,733 7.952,734 8.167,735 0.833,736 44,737 8.367,738 4.994,739 8.737,740 16.79,741 13.777,742 3.237,743 84.167,747 94.169,748 124.517,749 64.63,751 52.858,752 44.88,753 7.75,754 116.767,755 147.027,756 109.511,759 74.084,760 106.257,761 107.378,762 4.815,763 82.398,764 6.125,765 94.169,766 181.398,767 97.739,768 7.75,769 94.169,770 52.858,771 44.88,772 6.125,773 45.008,774 96.694,775 41.321,777 139.049,778 117.489,779 124.517,780 7.75,781 100.293,782 18.66,783 75.381,784 16.602,785 162.369,786 94.169,787 162.369,788 124.517,789 0.603,790 0.349,791 0.16,792 0.093,793 21,794 10,795 0.083,796 3,797 1,798 1.125,799 3.538,800 224.983,801 0.125,802 16,803 115.457,805 1,806 17.824,807 6.386,808 3.533,809 0.645,810 162.369,811 11.669,812 7.999,815 0.012,817 381.055,818 40.5,821 -5.866,822 22.52,825 36.436,826 38.723,827 0.409,828 0.697,829 0.847,830 0.961,831 0.961,832 0.961,833 4.999,834 1.398,835 5.883,836 4.444,837 4.443,838 5.081,839 4.274,840 6.808,841 4.298,842 6.294,843 1.195,844 7.538,845 3.035,846 4.443,847 5.255,848 4.961,849 8.261,850 4.11,851 7.678,852 0.8,853 9.325,854 2.666,855 6.24,856 7.477,857 7.424,858 11.308,859 5.908,860 9.104,861 0.427,862 11.194,863 2.108,864 7.013,865 8.42,866 8.78,867 13.56,868 6.461,869 10.564,870 -0.031,871 13.12,872 0.621,873 8.425,874 10.206,875 10.873,876 16.299,877 7.834,878 12.051,879 -0.408,880 15.087,881 -0.088,882 9.509,883 11.479,884 12.462,885 18.822,886 8.706,887 13.56,888 -0.662,889 17.083,890 -1.141,891 10.814,892 13.106,893 14.399,894 21.495,895 9.92,896 3.691,897 -0.748,898 19.102,899 -1.611,900 12.02,901 14.524,902 16.093,903 24.109,904 10.931,905 3.162,906 14.439,907 21.137,908 -1.864,909 13.302,910 16.089,911 17.956,912 26.77,913 12.084,914 2.643,915 10.96,916 23.186,917 4.704,918 14.557,919 17.57,920 19.7,921 29.416,922 13.157,923 2.324,924 8.095,925 25.244,926 4.516,927 15.838,928 19.113,929 21.527,930 32.078,931 14.288,932 2.211,933 7.269,934 27.309,935 3.738,936 17.115,937 20.622,938 23.296,939 34.736,940 15.388,941 1.909,942 6.575,943 29.38,944 3.074,945 18.401,946 22.157,947 25.105,948 37.401,949 16.512,950 1.56,951 5.846,952 31.456,953 2.984,954 19.688,955 23.679,956 26.886,957 40.065,958 17.624,959 6697,960 14967,961 17.682,962 24.886,963 44.519,964 46.608,965 44.286,966 42.862,967 42.641,968 59.225,969 19.909,970 132.117,971 39.61,972 5.846,973 7.697,974 7.786,975 5.596,976 5.691,977 7.704,978 10.217,979 22.672,980 5.117,981 15.69,982 1.59,983 1.665,984 1.582,985 1.531,986 1.523,987 2.115,988 0.711,989 4.718,990 1.415,991 4.109,992 4.125,993 4.739,994 4.026,995 8.518,996 4.027,997 3.936,998 3.89,999 4.049,1000 3.862,1001 7.999,1002 3.798,1003 3.847,1004 3.852,1005 3.8,1006 3.784,1007 7.999,1008 3.725,1009 3.382,1010 3.427,1011 3.331,1012 3.243,1013 7.707,1014 3.251,1015 3.185,1016 3.232,1017 3.155,1018 3.045,1019 6.999,1020 3.063,1021 3.001,1022 3.049,1023 3.066,1024 2.878,1025 6.82,1026 2.879,1027 2.907,1028 2.916,1029 2.907,1030 2.523,1031 5.064,1032 2.539,1033 2.692,1034 2.765,1035 2.572,1036 2.473,1037 4.673,1038 2.524,1039 0.179,1040 0.203,1041 0.289,1042 0.161,1043 0.132,1044 5,1045 0.168,1046 5.697,1047 0.214,1048 8.104,1049 0.516,1050 4.515,1051 0.111,1052 3.691,1053 4.704,1054 6.006,1055 14.439,1056 3.117,1057 2.04,1058 2.02,1059 2.098,1060 2.136,1061 1.21,1062 2.127,1063 1.85,1064 1.827,1065 1.949,1066 1.931,1067 1.02,1068 1.94,1069 1.611,1070 1.695,1071 1.497,1072 1.818,1073 0.656,1074 1.828,1075 1.323,1076 1.287,1077 1.231,1078 1.497,1079 0.491,1080 1.485,1081 1.123,1082 1.084,1083 1.184,1084 1.29,1085 0.271,1086 1.269,1087 0.981,1088 0.934,1089 1.08,1090 1.138,1091 0.185,1092 1.15,1093 0.671,1094 0.6,1095 0.926,1096 1.002,1098 0.92,1099 0.568,1100 0.539,1101 0.747,1102 0.889,1104 0.859,1105 4.043,1107 5.416,1109 6.987,1111 8.645,1113 10.345,1116 37.698,1121 4.136,1125 -5.584,1126 9.004,1127 1.934,1128 25.653,1129 70.709,1130 120.567,1131 146.567,1132 166.219,1133 166.219,1134 166.219,1135 61.552,1136 7.212,1137 92.94,1138 101.32,1139 18,1140 12.607,1141 4.392,1142 3.755,1143 43.94,1144 85,1145 88,1146 0.257,1147 159.891,1148 285.27,1149 381.894,1150 11676,1151 8.8,1152 18.949,1153 0.729,1154 0.521,1155 16.699,1156 13.544,1157 12.21,1158 0.436,1159 0.3,1160 6.937,1161 10.823,1162 6.756,1163 5.556,1164 11.886,1165 8.39,1166 12.249,1167 0.292,1168 0.157,1169 12.058,1170 6.598,1171 9.595,1172 0.181,1173 0.08,1174 8.117,1175 4.265,1176 7.006,1177 0.109,1178 0.041,1179 7.36,1180 2.605,1181 6.03,1182 0.07,1183 0.021,1184 6.032,1185 1.82,1186 0.389,1187 86.503,1188 0.238,1189 24.442,1190 0.753,1191 140,1192 709.336,1193 216.383,1194 621.793,1195 802.48,1196 566,1197 165,1198 532.714,1199 238.191,1200 558.813,1201 839.76,1202 519,1203 6.377}
{0 CHEMBL161115,1 1.584,2 9.462,3 5.028,4 25.284,5 98.914,6 9.252,7 0.793,8 3.787,9 3.865,10 3.538,11 3.478,12 5.044,13 3.463,14 4.231,15 4.328,16 3.924,17 3.857,18 5.575,19 3.828,20 4.486,21 4.634,22 3.998,23 3.976,24 5.71,25 3.926,26 4.495,27 4.659,28 3.922,29 3.903,30 5.728,31 3.855,32 4.441,33 4.611,34 3.882,35 3.888,36 5.612,37 3.833,38 4.382,39 4.537,40 3.889,41 3.913,42 5.514,43 3.837,44 4.433,45 4.607,46 3.862,47 3.88,48 5.649,49 3.78,50 4.372,51 4.579,52 3.571,53 3.675,54 5.486,55 3.543,56 0.054,57 0.458,58 4.561,59 2.957,60 9.028,61 3.262,62 0.162,63 0.739,64 7.797,65 4.731,66 30.317,67 5.413,68 0.199,69 0.996,70 15.672,71 6.861,72 26.221,73 8.026,74 0.272,75 1.033,76 16.141,77 6.834,78 39.35,79 7.485,80 0.304,81 0.977,82 16.139,83 6.505,84 44.105,85 7.26,86 0.149,87 0.879,88 12.494,89 6.254,90 19.56,91 7.701,92 0.226,93 0.924,94 14.832,95 7.014,96 26.902,97 8.789,98 0.253,99 0.848,100 20.459,101 7.438,102 37.654,103 9.083,104 11,105 41,106 0.275,107 0.517,108 0.687,109 0.847,110 0.881,111 0.881,112 3.305,113 0.864,114 -5.03,115 -4.93,116 -4.62,117 53.8,128 11,129 4,130 1,131 1,132 3,138 1,143 1,144 1,145 13,146 1,148 6,150 1,151 1,152 15,153 2,155 1,156 10,158 2,159 12,160 2,163 8,166 2,167 11,168 1,171 7,174 1,175 16,179 4,180 1,183 18,184 1,186 1,187 3,189 1,190 1,191 17,192 1,195 2,199 1,200 11,201 2,203 2,204 1,207 2,208 5,209 3,210 944,211 17.654,212 17.654,213 17.654,214 17.654,215 17.654,216 14.877,217 3.879,218 10.371,219 17.904,220 14.331,221 14.331,222 14.331,223 14.331,224 14.331,225 10.171,226 2.292,227 4.928,228 14.791,229 3.701,230 2.303,231 1.325,232 0.4,233 0.205,234 0.205,235 4.004,236 1,238 1,239 1,240 535,241 2.646,244 268.132,245 108.264,246 1.462,247 24.855,250 1,251 1,252 1,253 0.4,255 1,256 1,257 0.77,258 55.333,259 246,260 4.617,261 3.576,262 6.731,263 4.166,264 3.19,265 4.543,266 1.437,267 11.017,268 3.113,269 4.214,270 3.202,271 6.124,272 3.828,273 2.833,274 3.836,276 8.975,277 2.815,278 4.039,279 2.927,280 5.886,281 3.613,282 2.632,283 3.674,285 8.084,286 2.583,287 3.908,288 2.703,289 5.789,290 3.504,291 2.528,292 3.344,294 7.904,295 2.461,296 3.536,297 2.368,298 5.058,299 3.059,300 2.142,301 2.937,303 6.017,304 1.912,305 3.168,306 2.044,307 4.565,308 2.647,309 1.67,310 2.451,312 4.558,313 1.623,314 2.983,315 1.615,316 4.433,317 2.469,318 1.519,319 2.198,320 4.239,321 1.4,322 2.885,323 1.519,324 3.792,325 2.363,326 1.385,327 2.046,328 3.035,329 1.347,330 2.669,331 1.284,332 3.623,333 2.166,334 1.183,335 1.735,336 2.751,337 1.142,338 2.607,339 1.193,340 3.562,341 2.076,342 1.086,343 1.596,344 2.588,345 1.063,346 2.5,347 1,348 3.45,349 2,350 1,351 1.5,352 2.275,353 1,354 2.243,355 0.765,356 3.414,357 1.714,358 0.752,359 1.116,360 1.967,361 0.721,362 1.223,363 0.448,364 2.779,365 0.774,366 -0.209,367 -0.289,368 -0.545,369 -0.203,370 1,371 0.207,372 2.591,373 0.539,374 -0.391,375 -0.501,376 -0.886,377 -0.258,378 0.906,379 -0.19,380 2.333,381 0.378,382 -0.481,383 -0.637,384 -1.276,385 -0.443,386 12.681,387 0.488,388 0.644,389 0.025,390 39.75,391 1.529,392 23.5,393 0.904,394 16.25,395 0.625,396 16.628,397 0.64,398 25.119,399 0.644,400 29.167,401 1.122,402 7.992,403 0.307,404 4.622,405 0.178,406 0.109,408 0.355,410 0.697,411 0.95,412 0.551,413 0.746,414 0.722,415 0.717,416 0.511,417 1.106,418 0.653,419 0.894,420 0.429,421 0.888,422 0.789,423 1.104,424 0.948,425 1.02,426 0.682,427 0.995,428 1.112,429 1.094,430 0.925,431 0.927,432 1.014,433 0.962,434 0.969,435 0.868,436 0.899,437 0.804,438 0.906,439 0.87,440 0.467,441 1.034,442 0.803,443 1.013,444 0.403,445 1.055,446 0.538,447 1.027,448 0.917,449 1.057,450 0.492,451 1.132,452 1,453 0.967,454 1.351,455 1.169,456 0.969,457 1.195,458 5,459 0.107,460 3.111,461 1.5,462 1.471,463 1.021,464 0.527,465 0.292,466 0.303,467 0.214,468 7555,469 25137,470 2.124,471 33.3,473 11,475 1,476 1,480 1.696,481 2,482 3.222,483 -0.37,487 61.786,488 1.584,489 2.982,490 3.961,491 4.885,492 5.08,493 5.08,494 2.701,495 3.873,496 4.669,497 3.383,498 1099.62,499 8.119,500 13331.2,502 1,505 206.131,506 1.37,507 4.637,508 0.172,509 0.008,510 0.076,511 0.035,512 0.038,513 0.027,514 0.014,515 0.009,516 0.013,517 0.013,518 0.405,519 0.33,520 1,521 0.721,522 125.242,523 -0.066,524 -0.011,526 0.053,527 -0.123,528 0.046,529 0.138,530 -0.138,531 -0.014,532 -0.071,533 0.179,534 -0.089,535 -0.038,536 -0.102,537 -0.079,538 -0.109,540 -0.081,541 -0.174,542 -0.04,543 -0.082,544 -0.003,545 -0.113,546 -0.035,547 -0.126,548 0.186,549 -0.048,550 0.125,551 -0.132,552 0.071,553 0.058,554 -0.074,555 0.006,556 -0.094,557 0.027,558 -0.106,559 0.145,560 -0.077,561 0.033,562 -0.078,563 0.123,564 -0.119,565 -0.079,566 -0.043,567 -0.093,568 -0.079,569 -0.095,570 -0.068,571 2.619,572 4.058,573 0.846,574 21.917,575 1.012,576 1.099,577 3.799,578 14.435,579 0.752,580 3.401,581 3.738,582 4.025,583 4.304,584 4.605,585 4.727,586 4.913,587 5.017,588 5.182,589 5.22,590 5.764,591 0.73,592 360.81,593 3.401,594 4.949,595 5.808,596 6.693,597 7.573,598 8.466,599 9.354,600 10.251,601 11.144,602 12.043,603 5.1,610 2,612 2,613 12,614 2,617 6,618 23,621 1,628 1,629 39,630 24,631 2,632 29,633 42,634 21,635 20,636 4,637 8,638 1,639 4,640 5,641 1,649 21,652 1,656 1,658 1,663 13,664 4,665 1,666 5,667 1,668 2,669 0.75,670 2,672 2,676 4,677 1,685 1,687 3,691 1,693 26,696 1,708 1,709 5.1,711 1,712 1,716 13,717 7.16,718 5.639,719 2.24,720 4.369,721 1.578,722 1.013,723 4.215,724 11.923,725 3.75,726 4.413,727 5.066,728 5.712,729 6.371,730 6.765,731 7.31,732 7.779,733 8.29,734 8.641,735 1,736 43,737 9.544,738 4.134,739 7.889,740 17.891,741 14.766,742 2.389,743 62.111,747 141.253,748 137.484,749 33.571,750 39.149,751 67.828,754 137.484,755 248.23,756 33.571,759 104.239,760 114.08,761 32.335,763 129.482,764 39.149,765 141.253,766 171.055,767 67.828,768 39.149,769 141.253,770 67.828,773 16.705,774 120.779,775 72.72,777 141.253,778 101.399,779 176.633,781 141.253,782 24.198,783 113.286,785 140.548,786 141.253,787 101.399,788 176.633,789 0.585,790 0.34,791 0.183,792 0.106,793 21,794 9,795 0.071,796 3,797 1,798 1.091,799 3.738,800 228.694,801 0.091,802 22,803 118.211,806 16.406,807 6.68,808 3.239,809 1.746,810 101.399,811 21.704,812 9.264,815 4.074,816 42.683,817 419.285,818 41.5,822 11.058,824 -0.952,825 39.484,826 42.851,827 0.3,828 0.564,829 0.749,830 0.924,831 0.961,832 0.961,833 4.968,834 1.385,835 5.796,836 4.239,837 4.419,838 5.1,839 1.635,840 6.616,841 4.361,842 6.202,843 1.183,844 7.359,845 3.035,846 4.007,847 4.902,849 7.529,850 3.899,851 7.519,852 1.086,853 9.023,854 2.751,855 6.019,856 7.376,857 2.253,858 10.636,859 5.922,860 8.873,861 1,862 10.746,863 2.588,864 6.415,865 7.999,867 12.378,868 6.283,869 10.257,870 0.752,871 12.507,872 2.275,873 7.903,874 9.934,875 2.922,876 15.001,877 7.772,878 11.664,879 -0.209,880 14.293,881 1.967,882 8.677,883 10.972,885 17.094,886 8.518,887 13.089,888 -0.391,889 16.098,890 -0.545,891 9.946,892 12.663,893 3.619,894 19.552,895 9.779,896 3.19,897 -0.481,898 17.918,899 -0.886,900 10.904,901 13.921,903 21.804,904 10.711,905 2.833,906 11.017,907 19.748,908 -1.276,909 12.083,910 15.498,911 4.33,912 24.208,913 11.876,914 2.632,915 8.975,916 21.587,917 4.543,918 13.131,919 16.874,921 26.533,922 12.899,923 2.528,924 8.084,925 23.433,926 3.836,927 14.277,928 18.403,929 5.047,930 28.923,931 14.026,932 2.142,933 7.904,934 25.285,935 3.674,936 15.37,937 19.84,939 31.284,940 15.094,941 1.67,942 6.017,943 27.143,944 3.344,945 16.507,946 21.351,947 5.769,948 33.672,949 16.209,950 1.519,951 4.558,952 29.006,953 2.937,954 17.624,955 22.821,957 36.05,958 17.3,959 7224,960 13281,961 19.592,962 29.347,963 44.395,964 45.052,965 44.996,966 44.039,967 43.837,968 61.953,969 2.873,970 126.822,971 42.359,972 5.305,973 5.576,974 6.412,975 5.214,976 5.19,977 7.543,978 2.873,979 18.241,980 5.113,981 11.601,982 1.531,983 1.554,984 1.552,985 1.519,986 1.512,987 2.136,988 0.099,989 4.373,990 1.461,991 4.113,992 4.139,993 4.104,994 4.044,995 7.475,996 4.05,997 3.895,998 3.914,999 3.934,1000 3.842,1001 6.351,1002 3.838,1003 3.824,1004 3.85,1005 3.825,1006 3.763,1007 5.071,1008 3.759,1009 3.42,1010 3.449,1011 3.397,1012 3.28,1013 4.901,1014 3.293,1015 3.202,1016 3.205,1017 3.309,1018 3.023,1019 4.702,1020 3.042,1021 3.007,1022 3.047,1023 3.106,1024 2.867,1025 4.437,1026 2.881,1027 2.877,1028 2.925,1029 2.898,1030 2.788,1031 4.265,1032 2.763,1033 2.854,1034 2.921,1035 2.687,1036 2.735,1037 3.947,1038 2.715,1039 0.159,1040 0.123,1041 0.232,1042 0.144,1043 0.11,1044 4.617,1045 0.157,1046 3.576,1047 0.05,1048 6.731,1049 0.38,1050 4.166,1051 0.107,1052 3.19,1053 4.543,1054 1.437,1055 11.017,1056 3.113,1057 2.062,1058 2.04,1059 2.12,1060 2.147,1061 1.241,1062 2.141,1063 1.89,1064 1.871,1065 1.982,1066 1.966,1067 1.086,1068 1.972,1069 1.814,1070 1.79,1071 1.914,1072 1.895,1073 0.995,1074 1.908,1075 1.362,1076 1.329,1077 1.492,1078 1.532,1079 0.536,1080 1.512,1081 1.089,1082 1.081,1083 1.205,1084 1.345,1085 0.307,1086 1.292,1087 0.963,1088 0.931,1089 1.181,1090 1.135,1091 0.218,1092 1.146,1093 0.886,1094 0.824,1095 1.142,1096 1.062,1097 0.165,1098 1.107,1099 0.867,1100 0.821,1101 1.065,1102 1.01,1103 0.141,1104 1.051,1105 4.078,1107 5.407,1109 6.944,1111 8.573,1113 10.25,1115 6.146,1118 9.07,1128 28.461,1129 61.786,1130 116.303,1131 154.467,1132 190.521,1133 198.131,1134 198.131,1135 39.123,1136 7.554,1137 63.08,1138 63.08,1139 24,1140 12.567,1141 4.644,1142 3.755,1143 37.822,1144 90,1145 94,1146 0.211,1147 177.421,1148 301.93,1149 424.668,1150 18517,1151 2.6,1152 18.096,1153 0.696,1154 0.55,1155 18.596,1156 14.312,1157 12.614,1158 0.435,1159 0.288,1160 7.941,1161 12.037,1162 7.741,1163 6.395,1164 12.903,1165 8.349,1166 11.554,1167 0.282,1168 0.153,1169 11.963,1170 6.261,1171 9.707,1172 0.176,1173 0.079,1174 9.969,1175 4.348,1176 8.182,1177 0.112,1178 0.042,1179 8.435,1180 3.044,1181 6.935,1182 0.07,1183 0.022,1184 7.141,1185 2.143,1186 0.322,1187 80.878,1188 0.226,1189 24.686,1190 0.605,1191 140,1192 417.379,1193 163.722,1194 443.267,1195 597.64,1196 412,1197 166,1198 417.811,1199 183.605,1200 437.828,1201 641.01,1202 413,1203 7.347}
{0 CHEMBL161465,1 1.53,2 8.6,3 4.654,4 21.659,5 94.676,6 8.615,7 0.821,8 3.764,9 3.856,10 3.467,11 3.422,12 5.027,13 3.411,14 4.212,15 4.321,16 3.81,17 3.795,18 5.567,19 3.774,20 4.453,21 4.622,22 3.88,23 3.899,24 5.643,25 3.861,26 4.468,27 4.647,28 3.819,29 3.834,30 5.68,31 3.803,32 4.394,33 4.559,34 3.825,35 3.839,36 5.613,37 3.811,38 4.412,39 4.567,40 3.795,41 3.864,42 5.659,43 3.811,44 4.447,45 4.631,46 3.715,47 3.807,48 5.665,49 3.737,50 4.371,51 4.586,52 3.464,53 3.581,54 5.591,55 3.501,56 0.114,57 0.508,58 5.193,59 2.959,60 3.348,61 3.458,62 0.15,63 0.794,64 8.786,65 4.845,66 34.865,67 5.566,68 0.152,69 1.054,70 14.139,71 6.535,72 17.969,73 7.956,74 0.249,75 1.063,76 15.742,77 6.478,78 41.38,79 7.341,80 0.217,81 0.997,82 13.521,83 5.863,84 30.55,85 6.643,86 0.255,87 0.986,88 13.1,89 6.241,90 35.206,91 7.347,92 0.218,93 1.003,94 15.131,95 6.944,96 32.006,97 8.709,98 0.168,99 0.918,100 15.936,101 6.748,102 22.204,103 8.412,104 6,105 39,106 0.265,107 0.458,108 0.637,109 0.812,110 0.852,111 0.864,112 3.268,113 0.834,114 -4.89,115 -4.8,116 -4.5,117 52.6,128 12,129 3,130 1,131 1,132 3,142 2,145 13,147 1,148 7,152 13,155 1,156 14,159 10,163 11,167 10,170 1,171 7,175 16,178 3,179 4,183 17,186 2,187 7,191 14,195 10,200 8,203 8,208 3,210 915,211 17.206,212 17.206,213 17.206,214 17.206,215 17.206,216 14.294,217 4.953,218 10.292,219 17.371,220 13.865,221 13.865,222 13.865,223 13.865,224 13.865,225 9.573,226 5.143,227 4.904,228 14.131,229 3.718,230 2.609,231 1.573,232 0.566,233 0.336,234 0.263,235 3.97,238 1,239 1,240 469,241 2.55,244 248.144,245 98.301,246 1.216,247 22.806,249 1,250 1,251 1,252 1,253 0.4,255 1,256 1,257 0.77,258 53.5,259 215,260 4.62,261 3.78,262 6.733,263 4.169,264 3.192,265 4.545,266 2.612,267 11.024,268 3.118,269 4.262,270 3.182,271 6.109,272 3.79,273 2.807,274 3.97,276 8.944,277 2.759,278 4.082,279 2.731,280 5.977,281 3.659,282 2.677,283 3.678,285 8.437,286 2.625,287 3.817,288 2.51,289 5.675,290 3.341,291 2.359,292 3.333,294 7.424,295 2.314,296 3.326,297 1.991,298 4.67,299 2.815,300 1.835,301 2.724,303 4.741,304 1.797,305 3.242,306 1.831,307 4.514,308 2.659,309 1.676,310 2.586,312 4.585,313 1.647,314 2.922,315 1.475,316 3.85,317 2.404,318 1.432,319 2.126,320 3.138,321 1.39,322 2.815,323 1.424,324 3.653,325 2.264,326 1.273,327 1.93,328 2.935,329 1.26,330 2.626,331 1.179,332 3.568,333 2.097,334 1.118,335 1.677,336 2.679,337 1.092,338 2.581,339 1.109,340 3.439,341 2,342 1,343 1.583,344 2.324,345 1,346 2.5,347 1,348 3.413,349 2,350 1,351 1.5,352 2.136,353 1,354 2.237,355 1,356 3.247,357 1.707,358 0.744,359 1.107,360 1.931,361 0.715,362 1.194,363 0.746,364 2.771,365 0.735,366 -0.243,367 -0.34,368 -0.646,369 -0.237,370 1,371 -0.242,372 2.527,373 0.462,374 -0.505,375 -0.706,376 -1.328,377 -0.488,378 0.949,379 -0.457,380 2.322,381 0.297,382 -0.688,383 -1,384 -1.71,385 -0.677,386 11.867,387 0.475,388 0.538,389 0.022,390 40.75,391 1.63,392 25,393 1,394 15.75,395 0.63,396 13.849,397 0.554,398 24.133,399 0.635,400 29.295,401 1.172,402 8.157,403 0.326,404 4.063,405 0.163,406 0.056,408 0.329,410 0.311,411 0.931,412 0.613,413 0.803,414 0.485,415 0.775,416 0.496,417 1.14,418 0.788,419 1.014,420 0.405,421 0.964,422 0.651,423 1.088,424 0.846,425 1.004,426 0.488,427 0.962,428 1.147,429 1.038,430 0.997,431 0.897,432 1.031,433 0.906,434 0.976,435 0.891,436 0.941,437 0.844,438 0.84,439 0.863,440 0.699,441 0.966,442 1.04,443 1.049,444 0.733,445 1.096,446 0.607,447 1.094,448 0.994,449 1.175,450 0.647,451 1.161,452 0.944,453 1.118,454 1.075,455 1.252,456 0.912,457 1.199,458 4,459 0.037,460 2.667,461 1.313,462 1.28,463 0.965,464 0.408,465 0.321,466 0.258,467 0.113,468 6618,469 20021,470 2.154,471 34.2,473 12,475 1,480 1.688,481 2.055,482 3.115,483 -0.79,487 58.122,488 1.53,489 2.639,490 3.675,491 4.682,492 4.912,493 4.985,494 2.493,495 4.054,496 4.615,497 3.226,498 967.828,499 8.025,500 11395.4,502 1,505 199.421,506 1.26,507 4.592,508 0.143,509 0.006,510 0.068,511 0.032,512 0.034,513 0.025,514 0.011,515 0.01,516 0.011,517 0.009,518 0.348,519 0.33,520 1,521 0.663,522 117.819,523 0.276,524 0.063,525 0.061,526 0.064,527 -0.011,528 0.023,529 0.159,530 -0.169,531 -0.052,532 -0.123,533 0.197,534 -0.125,535 0.02,536 -0.086,537 0.042,538 -0.066,539 0.063,540 -0.021,541 -0.171,542 -0.013,543 -0.037,544 0.05,545 -0.115,546 0.038,547 -0.117,548 0.142,549 -0.049,550 0.08,551 -0.073,552 0.045,553 0.085,554 0.014,555 -0.169,556 -0.111,557 0.001,558 -0.175,559 0.155,560 -0.149,561 -0.03,562 -0.189,563 0.08,564 -0.155,565 0.005,566 -0.191,567 0.012,568 -0.22,569 0.059,570 -0.121,571 2.403,572 4.106,573 0.88,574 19.264,575 1.01,576 1.105,577 3.659,578 13.389,579 0.73,580 3.367,581 3.689,582 3.989,583 4.277,584 4.585,585 4.673,586 4.883,587 5.004,588 5.112,589 5.106,590 5.328,591 0.714,592 327.36,593 3.367,594 4.905,595 5.765,596 6.648,597 7.53,598 8.421,599 9.313,600 10.209,601 11.106,602 12.005,603 7.9,610 2,611 1,612 2,613 13,614 2,617 5,618 23,624 1,629 38,630 25,631 2,632 28,633 41,634 20,635 20,636 3,637 9,639 4,640 5,649 20,652 2,654 1,656 2,660 1,663 13,664 4,666 5,668 3,669 0.75,670 2,672 2,676 4,677 1,687 3,693 25,709 5.3,715 2,716 12.167,717 7.017,718 5.472,719 2.222,720 4.452,721 1.597,722 1.032,723 3.774,724 11.908,725 3.75,726 4.413,727 5.056,728 5.705,729 6.369,730 6.743,731 7.313,732 7.79,733 8.267,734 8.594,735 0.833,736 41,737 9.181,738 3.97,739 7.887,740 17.232,741 14.162,742 2.387,743 59.667,747 153.024,748 142.121,749 39.241,751 50.747,754 142.121,755 203.771,756 39.241,757 5.67,759 113.715,760 45.342,761 28.406,763 141.253,764 50.747,765 153.024,766 181.362,767 50.747,769 153.024,771 50.747,773 16.705,774 125.416,775 39.241,777 153.024,778 89.988,779 142.121,781 153.024,782 19.358,783 128.432,785 84.318,786 153.024,787 89.988,788 142.121,789 0.578,790 0.34,791 0.189,792 0.111,793 20,794 8,795 0.073,796 3,797 1,798 1.091,799 3.654,800 218.379,801 0.091,802 22,803 110.096,806 15.132,807 6.235,808 2.892,809 1.667,810 84.318,811 23.853,812 9.191,815 3.146,817 385.133,818 41.5,820 -0.403,822 22.212,825 38.378,826 41.99,827 0.291,828 0.503,829 0.7,830 0.892,831 0.936,832 0.95,833 4.954,834 1.273,835 5.74,836 3.138,837 4.369,838 5.1,839 2.501,840 6.558,841 4.331,842 6.183,843 1.118,844 7.298,845 2.935,846 3.892,847 4.89,848 2.361,849 7.469,850 3.829,851 7.499,852 1,853 8.961,854 2.679,855 5.958,856 7.387,857 4.154,858 10.598,859 5.879,860 8.855,861 1,862 10.687,863 2.324,864 6.33,865 8.027,866 4.506,867 12.355,868 6.222,869 10.243,870 0.744,871 12.453,872 2.136,873 7.847,874 9.961,875 5.948,876 14.986,877 7.724,878 11.654,879 -0.243,880 14.247,881 1.931,882 8.616,883 11.017,884 6.556,885 17.089,886 8.463,887 13.085,888 -0.505,889 16.059,890 -0.646,891 9.9,892 12.704,893 7.794,894 19.551,895 9.732,896 3.192,897 -0.688,898 17.885,899 -1.328,900 10.86,901 13.974,902 8.548,903 21.808,904 10.664,905 2.807,906 11.024,907 19.721,908 -1.71,909 12.048,910 15.548,911 9.67,912 24.214,913 11.833,914 2.677,915 8.944,916 21.566,917 4.545,918 13.101,919 16.929,920 10.509,921 26.541,922 12.858,923 2.359,924 8.437,925 23.417,926 3.97,927 14.253,928 18.456,929 11.563,930 28.932,931 13.989,932 1.835,933 7.424,934 25.273,935 3.678,936 15.35,937 19.895,938 12.452,939 31.294,940 15.06,941 1.676,942 4.741,943 27.135,944 3.333,945 16.491,946 21.402,947 13.468,948 33.683,949 16.179,950 1.432,951 4.585,952 29,953 2.724,954 17.612,955 22.872,956 14.386,957 36.062,958 17.275,959 6301,960 11108,961 19.186,962 27.733,963 42.488,964 43.832,965 42.839,966 42.237,967 42.225,968 61.52,969 5.225,970 120.594,971 41.433,972 5.302,973 5.78,974 6.535,975 5.217,976 5.192,977 7.545,978 4.612,979 18.259,980 5.118,981 9.045,982 1.517,983 1.565,984 1.53,985 1.508,986 1.508,987 2.197,988 0.187,989 4.307,990 1.48,991 4.12,992 4.147,993 4.091,994 4.042,995 7.815,996 4.05,997 3.931,998 3.957,999 3.894,1000 3.83,1001 6.999,1002 3.831,1003 3.84,1004 3.872,1005 3.776,1006 3.759,1007 5.058,1008 3.76,1009 3.494,1010 3.519,1011 3.461,1012 3.254,1013 4.748,1014 3.269,1015 3.34,1016 3.387,1017 3.267,1018 3.06,1019 4.668,1020 3.134,1021 3.013,1022 3.06,1023 2.934,1024 2.897,1025 4.403,1026 2.905,1027 2.854,1028 2.925,1029 2.692,1030 2.735,1031 3.957,1032 2.715,1033 2.801,1034 2.858,1035 2.687,1036 2.702,1037 3.674,1038 2.693,1039 0.165,1040 0.135,1041 0.24,1042 0.149,1043 0.114,1044 4.62,1045 0.162,1046 3.78,1047 0.093,1048 6.733,1049 0.394,1050 4.169,1051 0.111,1052 3.192,1053 4.545,1054 2.612,1055 11.024,1056 3.118,1057 2.064,1058 2.041,1059 2.126,1060 2.16,1061 1.242,1062 2.148,1063 1.893,1064 1.868,1065 2.001,1066 2.037,1067 1.081,1068 2.007,1069 1.825,1070 1.796,1071 1.936,1072 1.93,1073 0.999,1074 1.938,1075 1.35,1076 1.308,1077 1.494,1078 1.651,1079 0.533,1080 1.564,1081 1.193,1082 1.165,1083 1.28,1084 1.472,1085 0.311,1086 1.466,1087 1.002,1088 0.96,1089 1.188,1090 1.143,1091 0.218,1092 1.16,1093 0.886,1094 0.821,1095 1.181,1096 1.062,1097 0.213,1098 1.107,1099 0.814,1100 0.764,1101 1.054,1102 0.966,1103 0.146,1104 0.998,1105 4.043,1107 5.361,1109 6.895,1111 8.523,1113 10.202,1128 27.128,1129 58.122,1130 100.296,1131 139.647,1132 177.911,1133 186.666,1134 189.421,1135 36.539,1136 7.456,1137 71.6,1138 71.6,1139 24,1140 12.528,1141 4.7,1142 3.858,1143 35.569,1144 77,1145 80,1146 0.223,1147 166.29,1148 280.42,1149 397.508,1150 16394,1152 17.225,1153 0.689,1154 0.527,1155 17.225,1156 13.164,1157 12.22,1158 0.436,1159 0.278,1160 7.708,1161 11.845,1162 7.56,1163 6.277,1164 12.22,1165 7.783,1166 10.933,1167 0.28,1168 0.144,1169 10.933,1170 5.605,1171 9.318,1172 0.176,1173 0.075,1174 9.318,1175 3.988,1176 7.896,1177 0.111,1178 0.04,1179 7.896,1180 2.81,1181 6.919,1182 0.071,1183 0.021,1184 6.919,1185 2.008,1186 0.336,1187 76.083,1188 0.228,1189 23.679,1190 0.656,1191 134,1192 410.406,1193 143.951,1194 405.113,1195 554.99,1196 376,1197 159,1198 419.647,1199 169.343,1200 423.809,1201 615.53,1202 399,1203 6.959}
{0 CHEMBL161602,1 1.65,2 10.036,3 2.507,4 6.284,5 103.963,6 8.031,7 0.548,8 3.971,9 4.086,10 3.607,11 3.5,12 5.155,13 3.501,14 4.505,15 4.677,16 3.967,17 3.897,18 5.738,19 3.887,20 4.751,21 4.944,22 4.063,23 4.068,24 5.908,25 4.027,26 4.849,27 5.066,28 3.996,29 4.029,30 5.999,31 3.98,32 4.735,33 4.951,34 3.996,35 3.948,36 5.941,37 3.928,38 4.62,39 4.786,40 3.992,41 3.939,42 5.943,43 3.916,44 4.679,45 4.859,46 3.936,47 3.93,48 5.929,49 3.893,50 4.662,51 4.863,52 3.793,53 3.854,54 5.865,55 3.793,56 0.142,57 0.739,58 8.241,59 3.886,60 7.996,61 4.954,62 0.379,63 1.187,64 16.823,65 6.126,66 45.016,67 8.131,68 0.398,69 1.444,70 22.596,71 8.656,72 37.247,73 11.506,74 0.514,75 1.435,76 28.15,77 9.688,78 83.585,79 12.869,80 0.543,81 1.33,82 24.898,83 7.92,84 66.19,85 10.56,86 0.465,87 1.252,88 19.21,89 7.404,90 53.87,91 9.358,92 0.437,93 1.255,94 21.599,95 8.072,96 62.465,97 10.332,98 0.393,99 1.218,100 21.611,101 7.842,102 39.828,103 10.307,104 18,105 44,106 0.278,107 0.592,108 0.74,109 0.839,110 0.839,111 0.839,112 3.375,113 0.872,114 -3.16,115 -3.16,116 -3.03,117 42.6,122 1,123 4,128 7,129 2,130 1,131 1,132 3,138 1,142 2,145 7,147 2,148 6,152 6,155 4,156 14,159 4,163 11,167 4,170 2,171 9,175 6,178 6,179 9,183 5,186 2,187 7,191 3,194 2,195 9,200 1,202 5,203 5,210 1224,211 18.861,212 18.861,213 18.861,214 18.861,215 18.861,216 16.57,217 15.517,218 11.021,219 19.234,220 15.288,221 15.288,222 15.288,223 15.288,224 15.288,225 11.758,226 18.556,227 5.229,228 15.849,229 3.905,230 2.036,231 1.158,232 0.569,233 0.569,234 0.569,235 4.071,237 1,238 1,239 1,240 607,241 3.162,244 297.798,245 118.416,246 1.401,247 35.041,249 1,250 1,251 1,252 1,253 0.8,254 0.5,255 1,256 1,257 0.9,258 61.5,259 281,260 4.621,261 3.78,262 6.74,263 4.178,264 3.202,265 4.541,266 2.612,267 11.041,268 3.125,269 4.264,270 3.701,271 6.356,272 3.871,273 2.9,274 3.968,275 1.2,276 9.554,277 2.814,278 4.112,279 3.124,280 5.989,281 3.72,282 2.75,283 3.492,284 0.8,285 8.487,286 2.666,287 3.817,288 2.763,289 5.677,290 3.35,291 2.386,292 3.333,293 0.293,294 7.434,295 2.318,296 3.481,297 2.527,298 5.289,299 3.306,300 2.352,301 2.608,303 6.581,304 2.215,305 3.246,306 2.166,307 4.924,308 2.837,309 1.914,310 2.573,312 5.617,313 1.764,314 3.136,315 1.993,316 4.656,317 2.659,318 1.676,319 2.257,320 4.669,321 1.647,322 2.868,323 1.874,324 3.964,325 2.385,326 1.417,327 2.009,328 3.195,329 1.368,330 2.812,331 1.469,332 3.727,333 2.26,334 1.27,335 1.918,336 2.935,337 1.255,338 2.588,339 1.379,340 3.595,341 2,342 1,343 1.586,344 2.431,345 1,346 2.39,347 1.161,348 3.446,349 1.967,350 1,351 1.286,352 2.321,353 0.965,354 2.194,355 1.146,356 3.419,357 1.923,358 0.93,359 1,360 2.275,361 0.912,362 2,363 1,364 3.414,365 1.669,366 0.681,367 0.984,368 1.722,369 0.669,370 1.169,371 0.781,372 2.767,373 0.741,374 -0.225,375 -0.249,376 -0.513,377 -0.216,378 1,379 0.148,380 2.5,381 0.667,382 -0.322,383 -0.434,384 -0.818,385 -0.315,386 13,387 0.464,388 0.733,389 0.026,390 39.5,391 1.411,392 20.5,393 0.732,394 19,395 0.679,396 20.247,397 0.723,398 29.6,399 0.63,400 31.62,401 1.129,402 7.921,403 0.283,404 5.604,405 0.2,406 0.115,408 0.362,410 0.465,411 1.384,412 0.671,413 1.079,414 0.474,415 0.948,416 0.72,417 1.067,418 0.811,419 0.849,420 0.419,421 0.823,422 0.7,423 1,424 0.904,425 1.039,426 0.537,427 1.007,428 1.105,429 1.059,430 0.936,431 0.977,432 1.151,433 0.937,434 1.121,435 0.862,436 0.86,437 0.744,438 1.083,439 0.736,440 0.883,441 1.007,442 0.98,443 1.073,444 0.921,445 1.053,446 1.057,447 1.182,448 1.024,449 1.156,450 1.112,451 1.105,452 0.982,453 1.149,454 1.142,455 1.27,456 0.94,457 1.239,458 5.5,459 0.115,460 3.556,461 1.875,462 1.631,463 1.132,464 0.772,465 0.47,466 0.312,467 0.252,468 9005,469 26552,470 2.094,471 40.4,473 18,475 1,480 1.717,481 1.953,482 3.301,483 -0.707,484 1,485 1,487 77.552,488 1.65,489 3.518,490 4.397,491 4.985,492 4.985,493 4.985,494 2.727,495 4.039,496 4.777,497 3.424,498 1294.28,499 8.345,500 16556.6,502 1,504 1,505 261.066,506 1.432,507 4.736,508 0.177,509 0.008,510 0.081,511 0.04,512 0.038,513 0.026,514 0.018,515 0.012,516 0.009,517 0.011,518 0.42,519 0.5,520 1,521 0.744,522 138.12,523 0.162,524 -0.199,525 0.074,526 -0.06,527 0.011,528 -0.03,529 0.043,530 0.066,531 0.045,532 0.117,533 0.164,534 0.1,535 0.036,536 0.062,537 -0.01,538 -0.052,539 0.08,540 -0.039,541 -0.118,542 -0.121,543 0.06,544 0.02,545 -0.101,546 0.066,547 -0.101,548 0.14,549 0.13,550 0.213,551 -0.083,552 0.225,553 0.074,554 0.067,555 -0.092,556 -0.095,557 0.024,558 -0.127,559 -0.049,560 -0.187,561 -0.091,562 -0.158,563 -0.047,564 -0.142,565 -0.057,566 -0.151,567 -0.194,568 -0.291,569 -0.03,570 -0.27,571 2.446,572 6.025,573 0.786,574 24.122,575 1.014,576 1.128,577 1.932,578 3.733,579 0.675,580 3.466,581 3.807,582 4.094,583 4.357,584 4.663,585 4.762,586 4.942,587 5.056,588 5.182,589 5.231,590 5.955,591 0.658,592 377.44,593 3.466,594 5.017,595 5.878,596 6.763,597 7.644,598 8.536,599 9.426,600 10.322,601 11.217,602 12.115,603 10.6,604 1,608 1,610 2,611 1,612 2,613 8,614 2,617 4,618 17,620 1,624 1,629 47,630 20,631 1,632 31,633 50,634 20,635 14,636 2,637 4,638 1,639 4,640 5,649 15,650 5,652 3,654 1,656 3,658 1,659 1,660 1,663 19,664 7,666 8,668 5,669 0.75,670 3,672 2,676 4,677 1,684 1,687 3,690 1,693 28,697 4,702 2,709 6.4,712 1,715 2,716 14.333,717 8.917,718 6.083,719 2.803,720 3.603,721 1.471,722 0.993,723 4.929,724 11.254,725 3.773,726 4.394,727 4.999,728 5.604,729 6.255,730 6.649,731 7.167,732 7.585,733 8.011,734 8.256,735 0.857,736 47,737 10.381,738 4.521,739 7.952,740 19.462,741 16.049,742 2.452,743 68.667,746 1,747 223.651,748 113.078,749 45.49,751 75.892,754 113.078,755 299.543,756 45.49,757 14.066,758 11.547,759 66.334,760 75.192,761 28.345,763 211.88,764 50.747,765 223.651,766 158.568,767 75.892,769 223.651,770 25.145,771 50.747,773 31.376,774 87.95,775 39.241,777 223.651,778 121.382,779 113.078,781 223.651,782 29.3,783 95.696,785 109.463,786 223.651,787 121.382,788 113.078,789 0.587,790 0.345,791 0.181,792 0.107,793 22,794 10,795 0.06,796 3,797 1,798 1.091,799 3.853,800 253.721,801 0.091,802 22,803 128.606,806 18.33,807 7.529,808 3.697,809 1.384,810 115.712,811 13.289,812 8.967,815 1.33,817 458.11,818 42.5,820 -0.446,822 35.347,824 -0.134,825 47.676,826 53.026,827 0.297,828 0.633,829 0.792,830 0.898,831 0.898,832 0.898,833 5.012,834 1.417,835 5.872,836 4.669,837 4.489,838 5.081,839 2.775,840 6.698,841 4.423,842 6.229,843 1.27,844 7.444,845 3.195,846 4.111,847 4.966,848 2.431,849 7.627,850 4.011,851 7.546,852 1,853 9.115,854 2.935,855 6.098,856 7.325,857 4.215,858 10.737,859 5.969,860 8.9,861 1,862 10.846,863 2.431,864 6.524,865 8.041,866 4.52,867 12.483,868 6.37,869 10.285,870 0.93,871 12.613,872 2.321,873 7.994,874 9.892,875 5.961,876 15.115,877 7.812,878 11.694,879 0.681,880 14.405,881 2.275,882 8.788,883 10.999,884 6.559,885 17.206,886 8.584,887 13.122,888 -0.225,889 16.216,890 1.722,891 10.049,892 12.641,893 7.797,894 19.672,895 9.819,896 3.202,897 -0.322,898 18.04,899 -0.513,900 11.019,901 13.943,902 8.549,903 21.919,904 10.769,905 2.9,906 11.041,907 19.875,908 -0.818,909 12.196,910 15.496,911 9.67,912 24.326,913 11.921,914 2.75,915 9.554,916 21.718,917 4.541,918 13.252,919 16.896,920 10.509,921 26.646,922 12.955,923 2.386,924 8.487,925 23.569,926 3.968,927 14.398,928 18.413,929 11.563,930 29.035,931 14.077,932 2.352,933 7.434,934 25.425,935 3.492,936 15.496,937 19.862,938 12.452,939 31.39,940 15.153,941 1.914,942 6.581,943 27.287,944 3.333,945 16.634,946 21.366,947 13.468,948 33.776,949 16.267,950 1.676,951 5.617,952 29.153,953 2.608,954 17.754,955 22.842,956 14.386,957 36.149,958 17.364,959 8646,960 15038,961 20.69,962 31.722,963 47.417,964 49.418,965 48.588,966 47.008,967 46.956,968 63.11,969 9.811,970 136.525,971 45.439,972 5.621,973 5.78,974 6.422,975 5.246,976 5.202,977 7.541,978 4.612,979 18.28,980 5.125,981 13.753,982 1.53,983 1.594,984 1.567,985 1.516,986 1.515,987 2.036,988 0.316,989 4.404,990 1.466,991 4.113,992 4.141,993 4.085,994 4.023,995 7.815,996 4.034,997 3.921,998 3.95,999 3.887,1000 3.794,1001 7.428,1002 3.803,1003 3.83,1004 3.9,1005 3.728,1006 3.624,1007 6.999,1008 3.64,1009 3.51,1010 3.548,1011 3.466,1012 3.322,1013 5.035,1014 3.34,1015 3.456,1016 3.486,1017 3.401,1018 3.091,1019 4.671,1020 3.166,1021 3.203,1022 3.288,1023 3.085,1024 2.962,1025 4.44,1026 2.989,1027 3.111,1028 3.206,1029 2.905,1030 2.941,1031 4.353,1032 2.91,1033 3.021,1034 3.072,1035 2.866,1036 2.872,1037 3.956,1038 2.871,1039 0.149,1040 0.122,1041 0.217,1042 0.135,1043 0.103,1044 4.621,1045 0.146,1046 3.78,1047 0.084,1048 6.74,1049 0.356,1050 4.178,1051 0.101,1052 3.202,1053 4.541,1054 2.612,1055 11.041,1056 3.125,1057 2.049,1058 2.026,1059 2.108,1060 2.157,1061 1.288,1062 2.14,1063 1.862,1064 1.835,1065 1.984,1066 2.039,1067 1.214,1068 2.012,1069 1.768,1070 1.697,1071 1.95,1072 1.991,1073 1.031,1074 1.976,1075 1.423,1076 1.381,1077 1.585,1078 1.658,1079 0.825,1080 1.615,1081 1.226,1082 1.192,1083 1.513,1084 1.61,1085 0.663,1086 1.545,1087 1.157,1088 1.076,1089 1.499,1090 1.429,1091 0.546,1092 1.451,1093 1.153,1094 1.064,1095 1.282,1096 1.376,1097 0.317,1098 1.429,1099 1.005,1100 0.955,1101 1.193,1102 1.176,1103 0.239,1104 1.181,1105 4.143,1107 5.476,1109 7.015,1111 8.643,1113 10.319,1114 2.03,1119 2.93,1124 3.97,1128 30.939,1129 77.552,1130 165.36,1131 206.659,1132 234.311,1133 234.311,1134 234.311,1135 54.219,1136 7.651,1137 95.15,1138 95.15,1139 24,1140 12.639,1141 4.392,1142 3.644,1143 42.107,1144 98,1145 114,1146 0.21,1147 189.73,1148 327.39,1149 454.701,1150 21197,1152 19.673,1153 0.703,1154 0.55,1155 19.673,1156 15.408,1157 13.525,1158 0.436,1159 0.291,1160 8.858,1161 12.874,1162 8.668,1163 7.159,1164 13.525,1165 9.012,1166 12.414,1167 0.282,1168 0.155,1169 12.414,1170 6.834,1171 10.55,1172 0.179,1173 0.084,1174 10.55,1175 4.928,1176 8.531,1177 0.111,1178 0.043,1179 8.531,1180 3.334,1181 7.451,1182 0.071,1183 0.023,1184 7.451,1185 2.434,1186 0.32,1187 85.76,1188 0.22,1189 26.229,1190 0.604,1191 150,1192 487.432,1193 166.329,1194 468.736,1195 630.24,1196 434,1197 178,1198 464.86,1199 195.803,1200 466.031,1201 679.52,1202 436,1203 5.032}
{0 CHEMBL161714,1 2.192,2 8.08,3 5.711,4 32.613,5 83.921,6 11.781,7 0.63,8 3.676,9 3.716,10 3.754,11 3.299,12 4.98,13 3.318,14 4.219,15 4.275,16 4.224,17 3.622,18 6.202,19 3.678,20 4.396,21 4.493,22 4.185,23 3.7,24 6.448,25 3.728,26 4.222,27 4.349,28 3.956,29 3.639,30 5.655,31 3.635,32 4.28,33 4.39,34 4.069,35 3.645,36 5.883,37 3.667,38 4.295,39 4.394,40 4.091,41 3.656,42 5.82,43 3.666,44 4.302,45 4.409,46 4.098,47 3.562,48 5.989,49 3.578,50 4.234,51 4.373,52 3.906,53 3.245,54 6.067,55 3.295,56 0.313,57 0.689,58 2.047,59 3.34,60 63.208,61 2.117,62 1.056,63 1.495,64 5.151,65 5.576,66 192.537,67 3.354,68 1.476,69 1.08,70 10.118,71 6.129,72 224.571,73 4.898,74 0.707,75 0.968,76 8.598,77 5.388,78 88.372,79 4.727,80 0.847,81 1.115,82 6.394,83 5.302,84 102.648,85 3.829,86 0.96,87 1.142,88 6.66,89 6.278,90 133.077,91 4.219,92 1.006,93 1.129,94 12.26,95 7.074,96 141.394,97 5.458,98 1.193,99 1.156,100 20.26,101 6.808,102 181.015,103 4.755,104 40,105 41,106 0.398,107 0.628,108 0.771,109 0.879,110 0.879,111 0.879,112 3.268,113 0.943,114 -4.32,115 -4.25,116 -4.01,117 45.5,125 1,128 7,129 2,130 1,131 1,132 2,133 1,145 7,147 4,148 5,152 8,155 1,156 7,159 6,162 2,163 8,167 5,170 1,171 9,175 6,179 7,183 6,186 2,187 8,191 5,195 2,200 2,203 4,210 836,211 15.888,212 15.888,213 15.888,214 15.888,215 15.888,216 13.615,217 7.279,218 9.059,219 16.649,220 13.341,221 13.341,222 13.341,223 13.341,224 13.341,225 9.832,226 5.41,227 4.321,228 14.743,229 2.852,230 1.588,231 0.8,232 0.205,233 0.205,234 0.205,235 3.94,236 1,239 1,240 421,241 4,244 192.655,245 107.505,246 1.21,247 53.151,250 1,251 1,252 1,253 0.4,255 1,256 1,257 0.77,258 58.833,259 202,260 5,261 5.697,262 8.104,263 4.515,264 3.691,265 4.704,266 6.006,267 14.439,268 3.114,269 4.593,270 3.8,271 6.716,272 4.131,273 3.161,274 4.516,275 1.914,276 10.957,277 3.037,278 4.038,279 3.178,280 5.807,281 3.575,282 2.612,283 3.677,285 8.013,286 2.518,287 3.631,288 2.91,289 5.54,290 3.198,291 2.323,292 3.032,294 7.266,295 2.02,296 3.529,297 2.406,298 5.058,299 3.058,300 2.142,301 2.913,303 6.018,304 1.91,305 3.295,306 2.342,307 5.008,308 2.786,309 1.908,310 2.374,312 5.846,313 1.6,314 2.985,315 1.615,316 4.5,317 2.469,318 1.52,319 2.202,320 4.31,321 1.4,322 2.889,323 1.454,324 3.737,325 2.363,326 1.398,327 2.075,328 3.03,329 1.343,330 2.656,331 1.257,332 3.583,333 2.159,334 1.177,335 1.729,336 2.628,337 1.137,338 2.282,339 1.196,340 3.464,341 1.749,342 0.799,343 1.177,344 2.107,345 0.756,346 1.345,347 0.795,348 3.306,349 0.907,350 -0.031,351 -0.041,352 -0.088,353 -0.029,354 1.016,355 0.51,356 2.798,357 0.562,358 -0.368,359 -0.48,360 -0.861,361 -0.253,362 1,363 0.51,364 2.733,365 0.377,366 -0.464,367 -0.601,368 -1.321,369 -0.401,370 0.905,371 0.207,372 2.372,373 0.295,374 -0.668,375 -0.965,376 -1.811,377 -0.644,378 0.766,379 0.037,380 2.167,381 0.144,382 -0.835,383 -1,384 -2.204,385 -0.7,386 11.705,387 0.468,388 1,389 0.04,390 36,391 1.44,392 19.5,393 0.78,394 16.5,395 0.66,396 16.997,397 0.68,398 27.295,399 0.827,400 30.096,401 1.204,402 7.142,403 0.286,404 4.529,405 0.181,406 0.191,407 0.114,408 0.256,409 3,410 0.57,411 0.93,412 0.619,413 1.173,414 0.68,415 0.827,416 0.401,417 0.772,418 0.541,419 0.981,420 0.489,421 0.884,422 0.36,423 0.667,424 0.777,425 0.726,426 0.288,427 0.934,428 0.554,429 0.724,430 0.829,431 0.878,432 0.429,433 0.976,434 0.761,435 0.664,436 0.835,437 0.807,438 0.677,439 0.925,440 1.072,441 0.982,442 1.026,443 1.066,444 0.964,445 1.089,446 1.021,447 1.104,448 1.143,449 1.245,450 1.007,451 1.129,452 1.589,453 1.282,454 1.464,455 1.214,456 1.69,457 1.224,458 7.5,459 0.037,460 3.778,461 1.875,462 1.689,463 0.847,464 0.977,465 0.714,466 0.391,467 0.213,468 5991,469 30051,470 1.973,471 24.2,473 7,475 1,480 1.688,481 1.786,482 3.04,483 -0.593,487 72.352,488 2.192,489 3.456,490 4.244,491 4.84,492 4.84,493 4.84,494 2.44,495 3.993,496 4.618,497 3.198,498 959.288,499 8.026,500 11381.3,505 166.465,506 1.801,507 4.523,508 0.278,509 0.006,510 0.092,511 0.045,512 0.047,513 0.022,514 0.027,515 0.021,516 0.016,517 0.014,518 0.568,519 0.33,520 1,521 1.237,522 117.827,523 0.02,524 -0.089,525 0.114,526 -0.183,527 -0.129,528 -0.028,529 0.478,530 0.206,531 0.17,532 -0.071,533 0.356,534 -0.112,535 0.517,536 0.17,537 0.037,538 0.108,539 0.53,540 -0.024,541 0.023,542 -0.074,543 0.007,544 -0.041,545 0.072,546 0.018,547 -0.025,548 0.111,549 -0.042,550 0.038,551 -0.011,552 -0.028,553 -0.22,554 -0.102,555 -0.108,556 -0.076,557 -0.167,558 -0.129,559 -0.103,560 -0.263,561 -0.008,562 -0.161,563 -0.067,564 -0.05,565 -0.337,566 -0.173,567 -0.176,568 -0.099,569 -0.307,570 -0.104,571 6.811,572 4.539,573 0.64,574 18.778,575 1.077,576 1.139,577 3.086,578 9.521,579 0.742,580 3.332,581 3.738,582 3.951,583 4.143,584 4.431,585 4.522,586 4.736,587 4.868,588 4.913,589 4.745,590 5.314,591 0.757,592 388.77,593 3.332,594 4.92,595 5.771,596 6.678,597 7.559,598 8.464,599 9.355,600 10.26,601 11.156,602 12.061,603 6.1,610 2,612 2,613 8,614 2,617 4,618 17,628 1,629 33,630 19,631 1,632 27,633 35,634 15,635 14,636 2,637 4,639 3,640 4,641 1,649 14,650 1,652 2,655 1,656 2,661 3,663 8,664 8,666 10,667 2,668 2,669 0.667,670 3,672 2,676 3,677 1,687 2,689 1,691 1,692 3,693 25,695 1,699 1,703 1,708 4,709 9.1,712 2,714 1,716 14,717 6.055,718 5.188,719 1.741,720 3.458,721 1.486,722 1.01,723 4.418,724 10.573,725 3.651,726 4.357,727 4.9,728 5.483,729 6.128,730 6.493,731 7.016,732 7.478,733 7.858,734 7.978,735 1,736 42,737 8.012,738 4.994,739 8.691,740 16.242,741 13.411,742 3.191,743 79.778,747 94.169,748 108.23,749 33.571,750 39.149,751 52.858,752 44.88,753 7.75,754 100.48,755 186.176,756 78.451,759 74.084,760 89.655,761 76.633,762 4.815,763 82.398,764 45.273,765 94.169,766 134.052,767 97.739,768 46.898,769 94.169,770 52.858,771 44.88,772 6.125,773 13.948,774 80.407,775 80.47,777 139.049,778 86.429,779 147.379,780 7.75,781 100.293,782 18.975,783 75.381,785 170.458,786 94.169,787 131.31,788 147.379,789 0.61,790 0.344,791 0.158,792 0.092,793 21,794 10,795 0.086,796 3,797 1,798 1.125,799 3.455,800 213.864,801 0.125,802 16,803 109.342,805 1,806 17.623,807 6.268,808 3.591,809 0.723,810 131.31,811 12.01,812 8.029,815 0.254,817 372.858,818 37.5,821 -5.836,822 22.471,825 35.542,826 37.584,827 0.435,828 0.685,829 0.841,830 0.959,831 0.959,832 0.959,833 4.922,834 1.398,835 5.861,836 4.31,837 4.419,838 5.043,839 4.151,840 6.788,841 4.239,842 6.219,843 1.177,844 7.518,845 3.03,846 4.443,847 5.255,848 4.961,849 8.247,850 4.049,851 7.609,852 0.799,853 9.307,854 2.628,855 6.221,856 7.446,857 7.403,858 11.295,859 5.837,860 9.042,861 -0.031,862 11.179,863 2.107,864 7.004,865 8.405,866 8.78,867 13.552,868 6.39,869 10.509,870 -0.368,871 13.107,872 -0.088,873 8.412,874 10.183,875 10.87,876 16.294,877 7.766,878 12.002,879 -0.464,880 15.076,881 -0.861,882 9.501,883 11.464,884 12.462,885 18.82,886 8.641,887 13.517,888 -0.668,889 17.075,890 -1.321,891 10.805,892 13.089,893 14.399,894 21.493,895 9.859,896 3.691,897 -0.835,898 19.095,899 -1.811,900 12.014,901 14.511,902 16.093,903 24.108,904 10.875,905 3.161,906 14.439,907 21.132,908 -2.204,909 13.297,910 16.077,911 17.956,912 26.769,913 12.032,914 2.612,915 10.957,916 23.182,917 4.704,918 14.553,919 17.56,920 19.7,921 29.416,922 13.108,923 2.323,924 8.013,925 25.241,926 4.516,927 15.835,928 19.104,929 21.527,930 32.078,931 14.242,932 2.142,933 7.266,934 27.307,935 3.677,936 17.112,937 20.614,938 23.296,939 34.736,940 15.344,941 1.908,942 6.018,943 29.379,944 3.032,945 18.399,946 22.151,947 25.105,948 37.401,949 16.47,950 1.52,951 5.846,952 31.455,953 2.913,954 19.686,955 23.674,956 26.886,957 40.065,958 17.585,959 6009,960 13708,961 16.989,962 24.5,963 42.019,964 43.012,965 42.834,966 41.786,967 41.46,968 56.795,969 15.84,970 129.228,971 37.671,972 5.846,973 7.697,974 7.786,975 5.596,976 5.691,977 7.704,978 10.217,979 22.672,980 5.114,981 15.154,982 1.556,983 1.593,984 1.586,985 1.548,986 1.536,987 2.104,988 0.587,989 4.786,990 1.395,991 4.107,992 4.122,993 4.739,994 4.024,995 8.518,996 4.024,997 3.933,998 3.874,999 4.077,1000 3.86,1001 7.999,1002 3.78,1003 3.827,1004 3.843,1005 3.909,1006 3.772,1007 7.999,1008 3.723,1009 3.373,1010 3.418,1011 3.381,1012 3.233,1013 7.707,1014 3.24,1015 3.033,1016 3.071,1017 3.249,1018 2.933,1019 6.999,1020 2.932,1021 2.907,1022 2.921,1023 3.068,1024 2.789,1025 5.078,1026 2.763,1027 2.877,1028 2.916,1029 2.908,1030 2.506,1031 4.902,1032 2.538,1033 2.671,1034 2.74,1035 2.569,1036 2.472,1037 4.598,1038 2.504,1039 0.185,1040 0.211,1041 0.3,1042 0.167,1043 0.137,1044 5,1045 0.174,1046 5.697,1047 0.222,1048 8.104,1049 0.535,1050 4.515,1051 0.115,1052 3.691,1053 4.704,1054 6.006,1055 14.439,1056 3.114,1057 2.037,1058 2.017,1059 2.091,1060 2.133,1061 1.208,1062 2.124,1063 1.828,1064 1.807,1065 1.923,1066 1.903,1067 1.011,1068 1.919,1069 1.611,1070 1.695,1071 1.494,1072 1.818,1073 0.656,1074 1.828,1075 1.314,1076 1.278,1077 1.184,1078 1.49,1079 0.49,1080 1.479,1081 1.003,1082 0.968,1083 1.082,1084 1.147,1085 0.269,1086 1.155,1087 0.867,1088 0.824,1089 1.064,1090 1.01,1091 0.154,1092 1.051,1093 0.65,1094 0.582,1095 0.915,1096 1.002,1098 0.904,1099 0.564,1100 0.534,1101 0.745,1102 0.86,1104 0.852,1105 4.007,1107 5.389,1109 6.963,1111 8.622,1113 10.324,1115 5.928,1116 37.617,1121 4.142,1125 -5.561,1128 24.986,1129 72.352,1130 114.059,1131 140.059,1132 159.71,1133 159.71,1134 159.71,1135 55.957,1136 7.115,1137 69.15,1138 77.53,1139 18,1140 12.581,1141 4.322,1142 3.524,1143 41.388,1144 80,1145 68,1146 0.261,1147 157.692,1148 277.46,1149 376.528,1150 10269,1151 12.1,1152 18.242,1153 0.73,1154 0.549,1155 16.492,1156 13.731,1157 11.672,1158 0.432,1159 0.314,1160 6.69,1161 10.02,1162 6.483,1163 5.306,1164 11.637,1165 8.483,1166 12.08,1167 0.295,1168 0.167,1169 12.297,1170 6.852,1171 9.171,1172 0.18,1173 0.085,1174 7.956,1175 4.333,1176 6.783,1177 0.109,1178 0.043,1179 7.391,1180 2.695,1181 5.792,1182 0.07,1183 0.023,1184 5.999,1185 1.869,1186 0.394,1187 86.097,1188 0.243,1189 23.592,1190 0.77,1191 136,1192 691.894,1193 227.208,1194 629.971,1195 807.16,1196 574,1197 160,1198 516.168,1199 242.283,1200 549.417,1201 830.27,1202 511,1203 6.337}
{0 CHEMBL161740,1 1.498,2 10,3 4.243,4 18.001,5 99.847,6 8.784,7 0.767,8 3.807,9 3.888,10 3.515,11 3.49,12 5.12,13 3.483,14 4.24,15 4.341,16 3.869,17 3.861,18 5.588,19 3.84,20 4.5,21 4.652,22 3.962,23 3.988,24 5.758,25 3.951,26 4.536,27 4.708,28 3.891,29 3.926,30 5.811,31 3.89,32 4.471,33 4.646,34 3.841,35 3.908,36 5.678,37 3.866,38 4.416,39 4.579,40 3.814,41 3.925,42 5.605,43 3.864,44 4.464,45 4.643,46 3.771,47 3.894,48 5.735,49 3.819,50 4.41,51 4.62,52 3.523,53 3.713,54 5.608,55 3.618,56 0.044,57 0.487,58 5.041,59 3.037,60 10.773,61 3.269,62 0.147,63 0.773,64 8.309,65 4.794,66 31.491,67 5.408,68 0.143,69 1.058,70 13.544,71 6.735,72 22.717,73 7.938,74 0.249,75 1.128,76 15.764,77 6.819,78 47.056,79 7.462,80 0.241,81 1.056,82 14.973,83 6.473,84 48.567,85 7.245,86 0.125,87 0.977,88 12.51,89 6.315,90 27.552,91 7.704,92 0.225,93 1.019,94 14.427,95 6.942,96 31.77,97 8.733,98 0.177,99 0.953,100 16.031,101 7.126,102 35.852,103 8.922,104 14,105 42,106 0.256,107 0.526,108 0.689,109 0.844,110 0.876,111 0.876,112 3.341,113 0.826,114 -4.17,115 -4.11,116 -3.89,117 55,128 11,129 5,131 1,132 3,138 2,143 1,144 1,145 15,146 1,148 7,150 1,151 1,152 15,153 2,155 1,156 12,158 2,159 11,160 2,163 11,166 2,167 10,168 1,171 8,174 1,175 17,178 1,179 3,180 1,183 20,184 1,186 2,187 4,189 1,190 1,191 17,192 1,195 5,199 1,200 10,201 2,203 5,204 1,207 2,208 4,209 3,210 1095,211 18.524,212 18.524,213 18.524,214 18.524,215 18.524,216 15.708,217 5.602,218 10.874,219 18.648,220 14.759,221 14.759,222 14.759,223 14.759,224 14.759,225 10.41,226 3.995,227 5.074,228 14.972,229 3.824,230 2.246,231 1.292,232 0.39,233 0.2,234 0.2,235 4.04,238 1,239 1,240 584,241 2.828,244 281.351,245 113.443,246 1.407,247 27.156,249 1,250 1,251 1,252 1,253 0.4,255 1,256 1,257 0.77,258 57.5,259 270,260 4.618,261 4.058,262 6.732,263 4.168,264 3.191,265 4.544,266 2.035,267 11.019,268 3.118,269 4.218,270 3.576,271 6.124,272 3.831,273 2.834,274 3.839,275 1.437,276 8.979,277 2.821,278 4.109,279 3.186,280 5.887,281 3.649,282 2.652,283 3.732,285 8.107,286 2.64,287 3.911,288 2.747,289 5.804,290 3.527,291 2.538,292 3.344,294 7.963,295 2.505,296 3.712,297 2.582,298 5.267,299 3.2,300 2.211,301 3.05,303 6.575,304 2.186,305 3.211,306 2.208,307 4.603,308 2.647,309 1.67,310 2.451,312 4.587,313 1.623,314 3.167,315 2.044,316 4.464,317 2.541,318 1.559,319 2.322,320 4.347,321 1.53,322 2.886,323 1.563,324 3.798,325 2.363,326 1.385,327 2.046,328 3.039,329 1.348,330 2.835,331 1.515,332 3.626,333 2.193,334 1.2,335 1.778,336 2.758,337 1.189,338 2.635,339 1.282,340 3.575,341 2.077,342 1.086,343 1.596,344 2.616,345 1.064,346 2.598,347 1.18,348 3.453,349 2,350 1,351 1.5,352 2.275,353 1,354 2.5,355 1,356 3.414,357 1.716,358 0.754,359 1.122,360 1.969,361 0.723,362 2.243,363 0.764,364 2.795,365 1.372,366 0.427,367 0.867,368 0.621,369 0.402,370 1.223,371 0.448,372 2.678,373 0.774,374 -0.21,375 -0.29,376 -0.55,377 -0.205,378 0.99,379 -0.05,380 2.589,381 0.53,382 -0.448,383 -0.608,384 -1.153,385 -0.435,386 12.867,387 0.477,388 0.606,389 0.022,390 43.25,391 1.602,392 26.5,393 0.981,394 16.75,395 0.62,396 15.936,397 0.59,398 25.533,399 0.638,400 32.274,401 1.195,402 8.634,403 0.32,404 4.518,405 0.167,406 0.083,408 0.35,410 0.727,411 0.925,412 0.653,413 0.795,414 0.648,415 0.733,416 0.481,417 1.043,418 0.76,419 0.949,420 0.404,421 0.912,422 0.698,423 1.1,424 0.882,425 1.037,426 0.595,427 1.001,428 1.168,429 1.056,430 1.081,431 0.948,432 1.032,433 0.978,434 1.041,435 0.903,436 1.021,437 0.814,438 0.894,439 0.88,440 0.483,441 0.986,442 0.96,443 1.039,444 0.467,445 1.069,446 0.443,447 0.964,448 0.997,449 1.101,450 0.496,451 1.139,452 0.805,453 1.045,454 1.093,455 1.149,456 0.894,457 1.17,458 5,459 0.116,460 3.111,461 1.5,462 1.511,463 1.083,464 0.527,465 0.307,466 0.336,467 0.229,468 8320,469 26864,470 2.12,471 32.5,473 11,475 1,476 1,480 1.706,481 2,482 3.29,483 -0.382,485 1,487 59.909,488 1.498,489 3.076,490 4.03,491 4.932,492 5.122,493 5.122,494 2.732,495 4.459,496 4.722,497 3.438,498 1206.66,499 8.229,500 15059.5,502 1,504 1,505 212.877,506 1.352,507 4.694,508 0.167,509 0.008,510 0.074,511 0.033,512 0.037,513 0.027,514 0.014,515 0.009,516 0.012,517 0.011,518 0.392,519 0.5,520 1,521 0.806,522 131.95,523 -0.07,524 -0.01,525 0.01,526 0.056,527 -0.071,528 0.047,529 0.165,530 -0.108,531 -0.043,532 -0.081,533 0.142,534 -0.094,535 0.009,536 -0.128,537 -0.01,538 -0.107,539 0.029,540 -0.075,541 -0.19,542 -0.021,543 -0.122,544 -0.004,545 -0.134,546 -0.037,547 -0.186,548 0.123,549 -0.076,550 0.136,551 -0.135,552 0.073,553 0.022,554 -0.026,555 -0.092,556 -0.098,557 0.023,558 -0.111,559 0.197,560 -0.015,561 -0.046,562 -0.118,563 0.125,564 -0.128,565 -0.012,566 -0.117,567 -0.005,568 -0.095,569 -0.044,570 -0.059,571 2.633,572 4.073,573 0.815,574 23.835,575 1.009,576 1.1,577 2.942,578 8.653,579 0.743,580 3.434,581 3.761,582 4.06,583 4.331,584 4.635,585 4.762,586 4.956,587 5.063,588 5.231,589 5.288,590 5.949,591 0.728,592 351.38,593 3.434,594 4.977,595 5.838,596 6.72,597 7.601,598 8.492,599 9.382,600 10.277,601 11.172,602 12.07,603 7.5,609 1,610 2,612 2,613 12,614 2,617 6,618 23,619 1,621 1,629 40,630 25,631 2,632 30,633 43,634 22,635 20,636 4,637 8,638 1,639 4,640 5,648 1,649 21,652 1,656 1,658 1,660 1,663 13,664 5,665 1,666 5,668 3,669 0.75,670 2,672 2,676 4,677 1,685 1,687 3,693 27,696 1,704 1,706 1,707 1,709 5,711 1,712 1,716 13.5,717 7.467,718 5.972,719 2.317,720 4.601,721 1.602,722 1.006,723 4.184,724 12.244,725 3.818,726 4.449,727 5.121,728 5.756,729 6.417,730 6.821,731 7.378,732 7.84,733 8.359,734 8.742,735 0.857,736 45,737 9.897,738 4.278,739 7.963,740 18.438,741 15.132,742 2.463,743 66.5,746 1,747 141.253,748 153.771,749 64.63,751 67.828,754 153.771,755 209.081,756 64.63,759 104.239,760 130.682,761 63.08,763 129.482,765 141.253,766 218.401,767 67.828,769 141.253,770 67.828,773 47.764,774 137.066,775 33.571,777 141.253,778 132.459,779 153.771,781 141.253,782 23.883,783 113.286,784 16.602,785 132.459,786 141.253,787 132.459,788 153.771,789 0.579,790 0.345,791 0.184,792 0.106,793 21,794 9,795 0.07,796 3,797 1,798 1.091,799 3.817,800 240.043,801 0.091,802 22,803 124.382,806 16.603,807 6.804,808 3.181,809 1.667,810 132.459,811 21.289,812 9.234,815 3.787,816 42.683,817 427.483,818 44.5,822 11.073,824 -0.966,825 40.378,826 43.99,827 0.281,828 0.578,829 0.757,830 0.927,831 0.962,832 0.962,833 5.042,834 1.385,835 5.82,836 4.347,837 4.443,838 5.136,839 2.596,840 6.64,841 4.414,842 6.278,843 1.2,844 7.383,845 3.039,846 4.007,847 4.902,849 7.557,850 3.97,851 7.594,852 1.086,853 9.047,854 2.758,855 6.043,856 7.409,857 3.78,858 10.66,859 5.987,860 8.946,861 1,862 10.77,863 2.616,864 6.431,865 8.022,867 12.402,868 6.362,869 10.328,870 0.754,871 12.53,872 2.275,873 7.926,874 9.964,875 5.078,876 15.019,877 7.84,878 11.732,879 0.427,880 14.316,881 1.969,882 8.696,883 10.997,885 17.11,886 8.591,887 13.154,888 -0.21,889 16.121,890 0.621,891 9.967,892 12.688,893 6.437,894 19.565,895 9.845,896 3.191,897 -0.448,898 17.938,899 -0.55,900 10.922,901 13.944,903 21.814,904 10.777,905 2.834,906 11.019,907 19.767,908 -1.153,909 12.101,910 15.52,911 7.827,912 24.217,913 11.937,914 2.652,915 8.979,916 21.604,917 4.544,918 13.147,919 16.893,921 26.541,922 12.959,923 2.538,924 8.107,925 23.449,926 3.839,927 14.293,928 18.421,929 9.233,930 28.929,931 14.083,932 2.211,933 7.963,934 25.3,935 3.732,936 15.385,937 19.857,939 31.289,940 15.15,941 1.67,942 6.575,943 27.156,944 3.344,945 16.521,946 21.365,947 10.646,948 33.677,949 16.262,950 1.559,951 4.587,952 29.018,953 3.05,954 17.637,955 22.834,957 36.055,958 17.353,959 7991,960 14461,961 20.285,962 29.733,963 46.718,964 48.83,965 46.295,966 45.005,967 45.018,968 64.383,969 6.943,970 129.711,971 44.298,972 5.308,973 6.058,974 6.413,975 5.217,976 5.191,977 7.544,978 4.069,979 18.246,980 5.118,981 12.021,982 1.557,983 1.628,984 1.543,985 1.5,986 1.501,987 2.146,988 0.231,989 4.324,990 1.477,991 4.115,992 4.141,993 4.086,994 4.046,995 7.475,996 4.052,997 3.901,998 3.921,999 3.852,1000 3.847,1001 6.82,1002 3.845,1003 3.84,1004 3.868,1005 3.789,1006 3.772,1007 6.351,1008 3.773,1009 3.424,1010 3.454,1011 3.377,1012 3.284,1013 5.055,1014 3.297,1015 3.237,1016 3.258,1017 3.204,1018 3.084,1019 4.703,1020 3.106,1021 3.146,1022 3.175,1023 3.085,1024 2.954,1025 4.664,1026 2.979,1027 2.983,1028 3.034,1029 2.897,1030 2.845,1031 4.38,1032 2.854,1033 2.854,1034 2.925,1035 2.687,1036 2.735,1037 3.955,1038 2.715,1039 0.154,1040 0.135,1041 0.224,1042 0.139,1043 0.106,1044 4.618,1045 0.151,1046 4.058,1047 0.068,1048 6.732,1049 0.367,1050 4.168,1051 0.104,1052 3.191,1053 4.544,1054 2.035,1055 11.019,1056 3.118,1057 2.065,1058 2.042,1059 2.124,1060 2.149,1061 1.243,1062 2.143,1063 1.898,1064 1.878,1065 1.994,1066 1.972,1067 1.09,1068 1.979,1069 1.829,1070 1.804,1071 1.931,1072 1.917,1073 1.002,1074 1.924,1075 1.366,1076 1.333,1077 1.495,1078 1.535,1079 0.537,1080 1.516,1081 1.15,1082 1.127,1083 1.235,1084 1.359,1085 0.31,1086 1.307,1087 1.051,1088 1.026,1089 1.202,1090 1.277,1091 0.218,1092 1.254,1093 0.956,1094 0.915,1095 1.181,1096 1.129,1097 0.187,1098 1.143,1099 0.886,1100 0.821,1101 1.14,1102 1.062,1103 0.15,1104 1.107,1105 4.111,1107 5.434,1109 6.969,1111 8.597,1113 10.273,1118 9.08,1126 9.192,1127 2.144,1128 29.128,1129 59.909,1130 123.049,1131 161.214,1132 197.267,1133 204.877,1134 204.877,1135 43.114,1136 7.643,1137 86.87,1138 86.87,1139 24,1140 12.594,1141 4.7,1142 3.954,1143 39.969,1144 95,1145 102,1146 0.208,1147 179.62,1148 309.74,1149 430.033,1150 20806,1152 18.803,1153 0.696,1154 0.523,1155 18.803,1156 14.125,1157 13.152,1158 0.438,1159 0.275,1160 8.188,1161 12.84,1162 8.014,1163 6.645,1164 13.152,1165 8.256,1166 11.724,1167 0.279,1168 0.143,1169 11.724,1170 6.006,1171 10.13,1172 0.178,1173 0.075,1174 10.13,1175 4.28,1176 8.404,1177 0.112,1178 0.039,1179 8.404,1180 2.954,1181 7.174,1182 0.07,1183 0.021,1184 7.174,1185 2.095,1186 0.318,1187 81.284,1188 0.222,1189 25.516,1190 0.594,1191 144,1192 434.821,1193 152.897,1194 435.088,1195 592.96,1196 404,1197 171,1198 434.357,1199 179.512,1200 447.224,1201 650.5,1202 421,1203 7.071}
{0 CHEMBL162188,1 1.626,2 7.958,3 4.049,4 16.395,5 87.066,6 9.066,7 0.815,8 3.711,9 3.79,10 3.451,11 3.325,12 5.01,13 3.339,14 4.159,15 4.253,16 3.803,17 3.692,18 5.56,19 3.703,20 4.354,21 4.508,22 3.823,23 3.758,24 5.598,25 3.748,26 4.353,27 4.509,28 3.798,29 3.714,30 5.629,31 3.718,32 4.309,33 4.452,34 3.793,35 3.729,36 5.576,37 3.728,38 4.335,39 4.475,40 3.769,41 3.722,42 5.645,43 3.703,44 4.34,45 4.505,46 3.654,47 3.619,48 5.623,49 3.59,50 4.206,51 4.406,52 3.33,53 3.328,54 5.493,55 3.284,56 0.144,57 0.486,58 4.153,59 2.73,60 2.099,61 2.831,62 0.244,63 0.755,64 7.282,65 4.437,66 36.41,67 4.424,68 0.317,69 0.952,70 11.869,71 5.621,72 19.191,73 6.179,74 0.357,75 0.94,76 12.577,77 5.443,78 42.595,79 5.453,80 0.298,81 0.908,82 10.769,83 5.137,84 30.244,85 5.151,86 0.385,87 0.895,88 11.259,89 5.616,90 37.371,91 5.994,92 0.363,93 0.877,94 12.933,95 5.986,96 34.64,97 6.692,98 0.34,99 0.75,100 13.287,101 5.464,102 19.787,103 6.292,104 6,105 38,106 0.287,107 0.539,108 0.75,109 0.894,110 0.894,111 0.894,112 3.23,113 0.807,114 -4,115 -3.95,116 -3.74,117 51.4,128 9,129 2,130 1,131 1,132 3,136 1,137 1,142 2,145 8,147 1,148 8,152 6,155 2,156 14,159 5,163 11,167 6,170 1,171 7,175 9,178 4,179 6,183 10,186 2,187 6,191 7,194 1,195 7,200 3,202 2,203 5,208 1,210 816,211 16.499,212 16.499,213 16.499,214 16.499,215 16.499,216 13.717,217 4.953,218 9.792,219 16.664,220 13.365,221 13.365,222 13.365,223 13.365,224 13.365,225 9.24,226 5.143,227 4.654,228 13.631,229 3.503,230 2.074,231 0.872,232 0.057,233 0.057,234 0.057,235 3.929,237 1,238 1,239 1,240 418,241 2.55,243 52.225,244 174.014,245 93.664,246 1.135,247 26.139,249 1,250 1,251 1,252 1,253 0.4,255 1,256 1,257 0.77,258 52.5,259 191,260 4.62,261 3.78,262 6.733,263 4.17,264 3.193,265 4.545,266 2.612,267 11.025,268 3.119,269 4.263,270 3.183,271 6.111,272 3.794,273 2.811,274 3.97,276 8.952,277 2.765,278 4.096,279 2.741,280 5.978,281 3.666,282 2.685,283 3.702,285 8.438,286 2.632,287 3.817,288 2.511,289 5.675,290 3.341,291 2.359,292 3.333,294 7.424,295 2.314,296 3.302,297 1.991,298 4.671,299 2.784,300 1.809,301 2.689,303 4.761,304 1.762,305 3.24,306 1.805,307 4.527,308 2.659,309 1.675,310 2.583,312 4.603,313 1.646,314 2.892,315 1.471,316 3.847,317 2.373,318 1.401,319 2.081,320 3.091,321 1.359,322 2.814,323 1.399,324 3.643,325 2.258,326 1.269,327 1.925,328 2.933,329 1.254,330 2.588,331 1.164,332 3.548,333 2,334 1,335 1.586,336 2.328,337 1,338 2.404,339 1,340 3.434,341 1.895,342 0.922,343 1.358,344 2.276,345 0.896,346 2.186,347 0.923,348 3.234,349 1.664,350 0.691,351 1.031,352 1.739,353 0.672,354 2.118,355 0.692,356 3,357 1.618,358 0.618,359 0.927,360 1.372,361 0.618,362 1.164,363 0.618,364 2.765,365 0.698,366 -0.277,367 -0.39,368 -0.753,369 -0.269,370 1,371 -0.275,372 2.437,373 0.411,374 -0.551,375 -0.795,376 -1.477,377 -0.529,378 0.926,379 -0.474,380 2.295,381 0.286,382 -0.698,383 -1.01,384 -1.727,385 -0.687,386 11.2,387 0.467,388 0.538,389 0.022,390 38.75,391 1.615,392 23,393 0.958,394 15.75,395 0.656,396 13.118,397 0.547,398 23.6,399 0.674,400 27.556,401 1.148,402 7.804,403 0.325,404 3.916,405 0.163,406 0.06,408 0.348,410 0.468,411 0.992,412 0.572,413 0.856,414 0.501,415 0.775,416 0.701,417 1.164,418 0.763,419 1.02,420 0.441,421 0.935,422 0.752,423 1.046,424 0.876,425 0.965,426 0.53,427 0.95,428 1.129,429 1.062,430 0.98,431 0.879,432 1.089,433 0.875,434 0.963,435 0.934,436 0.973,437 0.924,438 0.877,439 0.926,440 0.797,441 0.947,442 1.015,443 1.059,444 0.754,445 1.094,446 0.898,447 1.126,448 1.051,449 1.199,450 0.733,451 1.183,452 1.066,453 1.044,454 1.152,455 1.244,456 1.048,457 1.227,458 4,459 0.04,460 2.667,461 1.153,462 1.339,463 0.847,464 0.392,465 0.328,466 0.219,467 0.093,468 5918,469 19511,470 2.161,471 31.4,473 9,474 1,475 1,480 1.677,481 2.057,482 3.03,483 -0.74,485 1,487 56.903,488 1.626,489 3.055,490 4.257,491 5.072,492 5.072,493 5.072,494 2.44,495 4.252,496 4.557,497 3.155,498 870.839,499 7.908,500 9964.2,502 1,503 1,504 1,505 179.525,506 1.281,507 4.532,508 0.148,509 0.01,510 0.07,511 0.03,512 0.036,513 0.023,514 0.011,515 0.011,516 0.011,517 0.009,518 0.36,519 0.5,520 1,521 0.681,522 111.231,523 0.185,524 0.017,525 0.065,526 0.023,527 -0.015,528 0.005,529 0.06,530 -0.182,531 -0.048,532 -0.118,533 0.179,534 -0.113,535 -0.001,536 -0.031,537 0.014,538 -0.026,539 0.054,540 -0.01,541 -0.209,542 -0.037,543 -0.054,544 0.057,545 -0.151,546 0.051,547 -0.142,548 0.097,549 -0.118,550 -0.003,551 -0.107,552 -0.031,553 0.085,554 0.028,555 -0.124,556 -0.108,557 0.011,558 -0.164,559 0.036,560 -0.192,561 -0.044,562 -0.206,563 0.051,564 -0.167,565 -0.015,566 -0.129,567 0.007,568 -0.205,569 0.022,570 -0.115,571 2.421,572 4.056,573 0.875,574 17.667,575 1.023,576 1.108,577 2.768,578 7.66,579 0.726,580 3.332,581 3.664,582 3.97,583 4.263,584 4.522,585 4.654,586 4.852,587 4.977,588 5.063,589 5.017,590 5.128,591 0.723,592 317.32,593 3.332,594 4.875,595 5.74,596 6.627,597 7.513,598 8.407,599 9.302,600 10.2,601 11.099,602 12,603 8.6,610 2,611 1,612 2,613 11,614 2,615 1,617 5,618 22,624 1,629 35,630 24,631 1,632 27,633 38,634 18,635 18,636 2,637 4,639 4,640 5,649 18,652 2,654 1,656 2,660 1,662 1,663 11,664 5,666 6,668 3,669 0.75,670 3,672 2,675 1,676 3,677 1,687 3,693 24,709 8.6,714 1,715 2,716 11.667,717 6.517,718 5.222,719 2.014,720 4.207,721 1.573,722 1.031,723 3.469,724 11.555,725 3.714,726 4.385,727 5.035,728 5.688,729 6.288,730 6.725,731 7.282,732 7.762,733 8.218,734 8.499,735 1,736 38,737 8.804,738 3.834,739 7.965,740 16.353,741 13.406,742 2.465,743 59.167,747 129.482,748 127.695,749 39.241,751 60.254,754 127.695,755 189.736,756 39.241,757 5.67,759 97.026,760 45.342,761 34.728,762 17.22,763 105.94,764 50.747,765 129.482,766 166.936,767 60.254,769 129.482,770 9.507,771 50.747,773 16.705,774 110.99,775 39.241,777 129.482,778 99.495,779 127.695,781 129.482,782 21.622,783 111.743,785 93.825,786 129.482,787 99.495,788 127.695,789 0.581,790 0.344,791 0.191,792 0.105,793 20,794 8,795 0.079,796 3,797 1,798 1.095,799 3.572,800 207.514,801 0.095,802 21,803 108.039,806 14.401,807 5.782,808 2.643,809 1.578,810 93.825,811 18.912,812 9.027,813 5.43,815 2.528,817 356.672,818 40,820 -0.421,822 22.113,825 35.822,826 38.784,827 0.317,828 0.596,829 0.83,830 0.989,831 0.989,832 0.989,833 4.924,834 1.269,835 5.72,836 3.091,837 4.344,838 5.072,839 2.501,840 6.547,841 4.305,842 6.158,843 1,844 7.284,845 2.933,846 3.892,847 4.89,848 2.361,849 7.469,850 3.829,851 7.478,852 0.922,853 8.952,854 2.328,855 5.943,856 7.368,857 4.154,858 10.596,859 5.862,860 8.839,861 0.691,862 10.681,863 2.276,864 6.347,865 8.051,866 4.506,867 12.358,868 6.241,869 10.232,870 0.618,871 12.45,872 1.739,873 7.839,874 9.948,875 5.948,876 14.987,877 7.715,878 11.648,879 -0.277,880 14.246,881 1.372,882 8.631,883 11.039,884 6.556,885 17.091,886 8.481,887 13.082,888 -0.551,889 16.059,890 -0.753,891 9.899,892 12.697,893 7.794,894 19.552,895 9.731,896 3.193,897 -0.698,898 17.886,899 -1.477,900 10.872,901 13.99,902 8.548,903 21.809,904 10.678,905 2.811,906 11.025,907 19.722,908 -1.727,909 12.052,910 15.547,911 9.67,912 24.215,913 11.837,914 2.685,915 8.952,916 21.567,917 4.545,918 13.11,919 16.941,920 10.509,921 26.542,922 12.87,923 2.359,924 8.438,925 23.418,926 3.97,927 14.258,928 18.457,929 11.563,930 28.933,931 13.996,932 1.809,933 7.424,934 25.274,935 3.702,936 15.359,937 19.903,938 12.452,939 31.295,940 15.071,941 1.675,942 4.761,943 27.136,944 3.333,945 16.498,946 21.405,947 13.468,948 33.684,949 16.188,950 1.401,951 4.603,952 29.001,953 2.689,954 17.62,955 22.878,956 14.386,957 36.062,958 17.285,959 5627,960 10354,961 18.493,962 25.426,963 41.124,964 42.321,965 41.246,966 40.892,967 40.866,968 59.464,969 5.225,970 117.88,971 40.073,972 5.319,973 5.78,974 6.415,975 5.221,976 5.193,977 7.545,978 4.612,979 18.259,980 5.119,981 8.776,982 1.523,983 1.567,984 1.528,985 1.515,986 1.514,987 2.202,988 0.194,989 4.366,990 1.484,991 4.12,992 4.145,993 4.093,994 4.032,995 7.815,996 4.042,997 3.931,998 3.954,999 3.897,1000 3.803,1001 6.999,1002 3.813,1003 3.825,1004 3.84,1005 3.775,1006 3.682,1007 5.143,1008 3.699,1009 3.493,1010 3.517,1011 3.46,1012 3.228,1013 4.968,1014 3.249,1015 3.314,1016 3.361,1017 3.238,1018 3.046,1019 4.67,1020 3.117,1021 2.999,1022 3.048,1023 2.918,1024 2.881,1025 4.404,1026 2.887,1027 2.71,1028 2.781,1029 2.582,1030 2.538,1031 3.954,1032 2.54,1033 2.634,1034 2.683,1035 2.539,1036 2.524,1037 3.621,1038 2.527,1039 0.171,1040 0.14,1041 0.249,1042 0.154,1043 0.118,1044 4.62,1045 0.168,1046 3.78,1047 0.097,1048 6.733,1049 0.408,1050 4.17,1051 0.116,1052 3.193,1053 4.545,1054 2.612,1055 11.025,1056 3.119,1057 2.049,1058 2.026,1059 2.107,1060 2.152,1061 1.224,1062 2.136,1063 1.86,1064 1.834,1065 1.957,1066 2.026,1067 1.035,1068 1.988,1069 1.528,1070 1.496,1071 1.672,1072 1.669,1073 0.733,1074 1.653,1075 1.381,1076 1.352,1077 1.535,1078 1.63,1079 0.533,1080 1.58,1081 1.222,1082 1.202,1083 1.294,1084 1.585,1085 0.332,1086 1.537,1087 1.086,1088 1.058,1089 1.245,1090 1.303,1091 0.213,1092 1.289,1093 0.945,1094 0.9,1095 1.152,1096 1.117,1097 0.183,1098 1.132,1099 0.674,1100 0.609,1101 0.925,1102 0.908,1104 0.927,1105 4.007,1107 5.333,1108 2.398,1109 6.862,1110 4.443,1111 8.486,1112 6.293,1113 10.164,1128 25.316,1129 56.903,1130 106.942,1131 148.996,1132 177.525,1133 177.525,1134 177.525,1135 35.109,1136 7.348,1137 84.74,1138 84.74,1139 23,1140 12.521,1141 4.644,1142 3.807,1143 33.522,1144 71,1145 70,1146 0.228,1147 154.029,1148 257.25,1149 367.591,1150 14114,1152 16.518,1153 0.688,1154 0.517,1155 16.518,1156 12.417,1157 11.72,1158 0.434,1159 0.269,1160 7.162,1161 11.212,1162 7.053,1163 5.833,1164 11.72,1165 7.267,1166 10.579,1167 0.278,1168 0.137,1169 10.579,1170 5.216,1171 9.068,1172 0.174,1173 0.071,1174 9.068,1175 3.692,1176 7.719,1177 0.11,1178 0.037,1179 7.719,1180 2.604,1181 6.307,1182 0.069,1183 0.019,1184 6.307,1185 1.749,1186 0.342,1187 73.991,1188 0.233,1189 22.804,1190 0.675,1191 130,1192 440.142,1193 143.494,1194 424.141,1195 578.57,1196 394,1197 155,1198 438.01,1199 169.053,1200 436.946,1201 636.14,1202 411,1203 6.292}
{0 CHEMBL318444,1 1.447,2 11.531,3 5.01,4 25.095,5 119.881,6 7.009,7 0.472,8 4.227,9 4.332,10 3.75,11 3.759,12 5.23,13 3.734,14 4.765,15 4.935,16 4.005,17 4.075,18 5.733,19 4.021,20 4.962,21 5.177,22 4.096,23 4.144,24 5.933,25 4.091,26 4.89,27 5.089,28 4.091,29 4.17,30 5.872,31 4.116,32 4.9,33 5.072,34 4.18,35 4.297,36 5.882,37 4.227,38 5.069,39 5.253,40 4.195,41 4.364,42 6.024,43 4.278,44 5.153,45 5.375,46 4.197,47 4.322,48 6.077,49 4.237,50 5.096,51 5.298,52 4.039,53 4.269,54 5.975,55 4.173,56 0.027,57 0.846,58 13.892,59 6.325,60 8.139,61 8.098,62 0.226,63 1.332,64 25.979,65 10.045,66 29.919,67 13.22,68 0.494,69 1.543,70 33.421,71 11.195,72 49.531,73 15.316,74 0.518,75 1.506,76 30.435,77 10.569,78 43.716,79 14.44,80 0.225,81 1.593,82 28.893,83 12.165,84 30.234,85 16.413,86 0.272,87 1.807,88 35.116,89 13.934,90 41.112,91 18.753,92 0.479,93 1.856,94 40.001,95 14.415,96 54.473,97 19.827,98 0.519,99 1.755,100 37.946,101 13.195,102 46.271,103 17.658,104 11,105 50,106 0.233,107 0.531,108 0.709,109 0.789,110 0.789,111 0.789,112 3.503,113 0.972,114 -4.6,115 -4.52,116 -4.26,117 41.9,118 1,119 5,120 2,123 4,128 6,129 2,130 3,132 2,134 1,145 11,147 1,148 14,152 7,156 13,157 1,159 5,162 2,163 7,167 11,170 2,171 5,174 2,175 21,178 1,179 6,182 1,183 11,186 2,187 16,189 1,190 1,191 10,195 6,200 8,202 2,203 3,205 1,207 2,208 14,210 1946,211 22.306,212 22.306,213 22.306,214 22.306,215 22.306,216 20.441,217 19.497,218 13.302,219 22.837,220 17.751,221 17.751,222 17.751,223 17.751,224 17.751,225 14.674,226 19.735,227 6.307,228 18.651,229 4.507,230 2.654,231 1.545,232 1.044,233 1.044,234 1.044,235 4.199,238 1,239 1,240 816,241 3.606,242 117.7,244 266.006,245 141.378,246 1.939,247 28.295,250 1,251 0.83,252 0.83,253 1,254 1,255 0.83,256 0.5,257 0.86,258 69,259 369,260 4.619,261 3.243,262 6.727,263 4.165,264 3.189,265 4.552,266 0.86,267 11.011,268 3.112,269 4.192,270 3.053,271 5.931,272 3.77,273 2.81,274 3.856,275 0.86,276 8.573,277 2.698,278 3.824,279 2.823,280 5.556,281 3.654,282 2.667,283 3.287,284 0.86,285 7.513,286 2.635,287 3.679,288 2.822,289 5.504,290 3.626,291 2.635,292 2.996,294 7.425,295 2.611,296 3.66,297 2.648,298 5.441,299 3.398,300 2.459,301 2.733,303 7.237,304 2.303,305 3.588,306 2.473,307 5.283,308 3.215,309 2.263,310 2.715,312 6.723,313 2.148,314 3.393,315 2.428,316 5.184,317 2.989,318 2.057,319 2.633,320 6.273,321 1.92,322 3.331,323 2.245,324 4.991,325 2.973,326 2.046,327 2.523,328 5.973,329 1.871,330 2.956,331 1.8,332 4.544,333 2.464,334 1.49,335 2.163,336 4.386,337 1.448,338 2.509,339 1.556,340 3.763,341 2.333,342 1.414,343 1.51,344 2.719,345 1.285,346 2.349,347 1.297,348 3.447,349 1.923,350 0.973,351 1.301,352 2.422,353 0.92,354 1.938,355 1.161,356 3.347,357 1.755,358 0.834,359 0.907,360 1.994,361 0.76,362 1.898,363 1.066,364 3.307,365 1.711,366 0.79,367 0.853,368 1.872,369 0.718,370 1.635,371 0.872,372 2.925,373 1.422,374 0.451,375 0.515,376 0.715,377 0.436,378 1.424,379 0.503,380 2.776,381 1.149,382 0.29,383 0.317,384 0.481,385 0.247,386 15.133,387 0.473,388 0.632,389 0.02,390 38.25,391 1.195,392 17.5,393 0.547,394 20.75,395 0.648,396 30.417,397 0.951,398 35.267,399 0.569,400 28.363,401 0.886,402 6.775,403 0.212,404 8.937,405 0.279,406 0.055,408 0.33,410 0.874,411 1.261,412 0.829,413 1.154,414 0.899,415 1.012,416 1.189,417 1.195,418 0.999,419 1.118,420 0.943,421 1.047,422 1.307,423 0.948,424 0.887,425 0.809,426 0.987,427 0.782,428 1.186,429 0.846,430 0.952,431 0.767,432 0.882,433 0.803,434 0.666,435 1.135,436 0.905,437 1.112,438 0.617,439 1.056,440 0.95,441 1.242,442 1.092,443 1.244,444 0.985,445 1.198,446 0.997,447 1.035,448 0.938,449 1.037,450 0.796,451 0.986,452 1.545,453 1.106,454 1.28,455 1.067,456 1.12,457 1.124,458 6.5,459 0.109,460 2.556,461 1.694,462 1.861,463 0.938,464 0.798,465 0.526,466 0.308,467 0.302,468 14306,469 31664,470 2.174,471 48.4,472 11,473 14,476 1,477 2,478 2,480 1.753,481 2.087,482 3.434,483 -0.403,487 89.742,488 1.447,489 3.3,490 4.409,491 4.91,492 4.91,493 4.91,494 2.93,495 4.226,496 4.962,497 3.645,498 1807.79,499 8.732,500 26240,502 1,505 369.16,506 1.198,507 4.954,508 0.181,509 0.003,510 0.058,511 0.035,512 0.038,513 0.017,514 0.015,515 0.01,516 0.007,517 0.008,518 0.373,519 0.17,520 0.75,521 0.969,522 166.697,523 -0.026,524 -0.096,525 0.068,526 -0.034,527 -0.046,528 0.021,529 -0.076,530 -0.131,531 -0.029,532 -0.089,533 0.014,534 -0.062,535 -0.039,536 0.069,537 0.134,538 0.153,539 0.031,540 0.168,541 -0.036,542 0.236,543 0.043,544 0.213,545 -0.041,546 0.155,547 0.067,548 -0.034,549 0.009,550 -0.048,551 0.071,552 -0.033,553 -0.04,554 -0.18,555 -0.147,556 -0.21,557 -0.103,558 -0.198,559 0.059,560 -0.032,561 0.052,562 -0.054,563 0.071,564 -0.01,565 -0.258,566 -0.089,567 -0.271,568 -0.09,569 -0.212,570 -0.171,571 1.523,572 3.057,573 0.688,574 37.465,575 0.998,576 1.123,577 3.371,578 11.363,579 0.653,580 3.611,581 3.932,582 4.127,583 4.407,584 4.718,585 4.89,586 5.088,587 5.252,588 5.407,589 5.442,590 6.887,591 0.617,592 434.58,593 3.611,594 5.153,595 6.009,596 6.891,597 7.766,598 8.656,599 9.541,600 10.435,601 11.325,602 12.223,603 3.2,610 2,612 2,613 6,614 2,617 6,618 17,627 3,629 62,630 17,631 2,632 36,633 66,634 26,635 14,636 6,637 6,639 5,640 6,642 2,645 4,646 2,647 5,649 14,650 12,651 2,663 30,664 6,665 1,666 6,668 2,669 0.8,670 4,671 1,673 1,674 2,676 3,677 1,685 1,687 4,690 1,693 32,696 1,697 9,699 3,701 2,709 6.5,710 1,714 3,716 15.333,717 11.267,718 7.083,719 4.182,720 3.509,721 1.441,722 0.965,723 6.47,724 11.459,725 3.818,726 4.407,727 4.972,728 5.619,729 6.281,730 6.703,731 7.191,732 7.646,733 8.091,734 8.31,735 0.875,736 48,737 11.895,738 5.097,739 7.563,740 23.394,741 19.903,742 2.063,743 66,746 1,747 341.362,748 120.85,749 33.571,751 75.683,754 120.85,755 417.045,756 33.571,757 8.825,758 26.45,759 99.541,760 33.571,761 61.717,763 341.362,765 341.362,766 154.421,767 75.683,769 320.148,770 56.542,771 42.683,773 40.176,774 78.346,775 33.571,777 341.362,778 109.254,779 120.85,781 341.362,782 55.167,783 65.683,785 109.254,786 341.362,787 109.254,788 120.85,789 0.573,790 0.302,791 0.162,792 0.098,793 25,794 10,795 0.167,796 11,797 1,798 1.091,799 4.439,800 300.405,801 0.091,802 22,803 142,806 21.48,807 9.638,808 5.917,809 1.776,810 109.254,811 11.91,812 9.589,815 4.953,816 42.683,817 571.466,818 44.5,825 61.883,826 69.647,827 0.243,828 0.554,829 0.741,830 0.825,831 0.825,832 0.825,833 5.064,834 2.046,835 5.979,836 6.273,837 4.615,838 5.094,839 1.693,840 6.774,841 4.527,842 6.268,843 1.49,844 7.525,845 5.973,846 4.29,847 4.987,849 7.695,850 4.206,851 7.578,852 1.414,853 9.166,854 4.386,855 6.225,856 7.306,857 1.454,858 10.716,859 6.075,860 8.919,861 0.973,862 10.862,863 2.719,864 6.635,865 7.982,867 12.406,868 6.492,869 10.288,870 0.834,871 12.593,872 2.422,873 8.079,874 9.837,875 1.232,876 14.999,877 7.886,878 11.679,879 0.79,880 14.348,881 1.994,882 8.836,883 10.915,885 17.055,886 8.643,887 13.088,888 0.451,889 16.123,890 1.872,891 10.081,892 12.571,893 1.028,894 19.507,895 9.849,896 3.189,897 0.29,898 17.913,899 0.715,900 11.016,901 13.864,903 21.746,904 10.777,905 2.81,906 11.011,907 19.717,908 0.481,909 12.179,910 15.431,911 0.845,912 24.152,913 11.909,914 2.667,915 8.573,916 21.533,917 4.552,918 13.208,919 16.833,921 26.477,922 12.923,923 2.635,924 7.513,925 23.36,926 3.856,927 14.343,928 18.362,929 0.684,930 28.873,931 14.031,932 2.459,933 7.425,934 25.198,935 3.287,936 15.422,937 19.819,939 31.237,940 15.091,941 2.263,942 7.237,943 27.045,944 2.996,945 16.55,946 21.334,947 0.546,948 33.631,949 16.194,950 2.057,951 6.723,952 28.899,953 2.733,954 17.658,955 22.817,957 36.013,958 17.28,959 13335,960 20001,961 24.849,962 40.489,963 52.908,964 54.396,965 54.119,966 52.594,967 52.734,968 65.722,969 5.16,970 150.633,971 50.224,972 5.57,973 5.243,974 6.59,975 5.264,976 5.189,977 7.552,978 1.72,979 18.277,980 5.112,981 11.04,982 1.47,983 1.511,984 1.503,985 1.461,986 1.465,987 1.826,988 0.143,989 4.184,990 1.395,991 4.11,992 4.135,993 4.08,994 4.026,995 6.457,996 4.036,997 3.935,998 3.974,999 3.853,1000 3.827,1001 5.074,1002 3.826,1003 3.89,1004 3.94,1005 3.76,1006 3.784,1007 4.868,1008 3.771,1009 3.806,1010 3.833,1011 3.713,1012 3.732,1013 4.639,1014 3.724,1015 3.599,1016 3.65,1017 3.499,1018 3.431,1019 4.55,1020 3.434,1021 3.481,1022 3.538,1023 3.316,1024 3.268,1025 4.309,1026 3.272,1027 3.212,1028 3.266,1029 3.091,1030 3.057,1031 4.165,1032 3.059,1033 3.129,1034 3.162,1035 3.016,1036 2.872,1037 4.113,1038 2.898,1039 0.128,1040 0.09,1041 0.187,1042 0.116,1043 0.089,1044 4.619,1045 0.126,1046 3.243,1047 0.024,1048 6.727,1049 0.306,1050 4.165,1051 0.086,1052 3.189,1053 4.552,1054 0.86,1055 11.011,1056 3.112,1057 2.045,1058 2.025,1059 2.102,1060 2.142,1061 1.244,1062 2.131,1063 1.829,1064 1.814,1065 1.923,1066 1.945,1067 1.076,1068 1.936,1069 1.573,1070 1.515,1071 1.831,1072 1.78,1073 1.03,1074 1.791,1075 1.441,1076 1.386,1077 1.72,1078 1.687,1079 1.007,1080 1.705,1081 1.42,1082 1.372,1083 1.673,1084 1.643,1085 0.977,1086 1.651,1087 1.381,1088 1.325,1089 1.638,1090 1.567,1091 0.927,1092 1.592,1093 1.157,1094 1.107,1095 1.513,1096 1.376,1097 0.825,1098 1.429,1099 1.153,1100 1.064,1101 1.513,1102 1.376,1103 0.825,1104 1.429,1105 4.29,1106 2.565,1107 5.609,1108 4.394,1109 7.125,1110 6.107,1111 8.735,1112 7.779,1113 10.398,1114 2.052,1118 9.057,1119 7.473,1121 17.831,1123 1.358,1128 38.277,1129 89.742,1130 204.589,1131 273.386,1132 304.405,1133 304.405,1134 304.405,1135 49.739,1136 7.951,1137 73.7,1138 73.7,1139 24,1140 12.748,1141 4.17,1142 3.248,1143 45.332,1144 127,1145 164,1146 0.169,1147 229.359,1148 399.9,1149 551.395,1150 30518,1152 21.916,1153 0.685,1154 0.58,1155 21.916,1156 18.549,1157 15.712,1158 0.436,1159 0.324,1160 11.517,1161 15.107,1162 11.287,1163 9.284,1164 15.712,1165 11.669,1166 13.895,1167 0.278,1168 0.176,1169 13.895,1170 8.795,1171 10.812,1172 0.177,1173 0.087,1174 10.812,1175 5.332,1176 8.891,1177 0.11,1178 0.042,1179 8.891,1180 3.426,1181 7.77,1182 0.07,1183 0.022,1184 7.77,1185 2.468,1186 0.261,1187 98.521,1188 0.201,1189 29.742,1190 0.475,1191 172,1192 470.647,1193 188.231,1194 441.196,1195 615,1196 420,1197 203,1198 456.513,1199 219.234,1200 456.432,1201 676.33,1202 433,1203 6.18}
{0 CHEMBL319809,1 1.485,2 11.639,3 4.454,4 19.835,5 132.636,6 7.066,7 0.425,8 4.351,9 4.452,10 3.869,11 3.841,12 5.384,13 3.828,14 4.892,15 5.058,16 4.126,17 4.156,18 5.888,19 4.116,20 5.09,21 5.297,22 4.247,23 4.236,24 6.119,25 4.199,26 5.016,27 5.201,28 4.263,29 4.291,30 6.015,31 4.254,32 5.077,33 5.232,34 4.396,35 4.442,36 6.11,37 4.393,38 5.271,39 5.442,40 4.447,41 4.533,42 6.312,43 4.469,44 5.375,45 5.587,46 4.445,47 4.523,48 6.338,49 4.456,50 5.362,51 5.559,52 4.361,53 4.494,54 6.36,55 4.417,56 0.066,57 0.948,58 15.812,59 7.122,60 11.947,61 8.97,62 0.36,63 1.463,64 29.856,65 11.066,66 40.306,67 14.461,68 0.869,69 1.682,70 38.569,71 12.264,72 73.184,73 16.827,74 0.616,75 1.68,76 34.371,77 11.943,78 46.68,79 16.12,80 0.424,81 1.858,82 34.724,83 14.292,84 38.732,85 18.838,86 0.627,87 2.158,88 43.39,89 16.466,90 66.98,91 22.019,92 0.708,93 2.276,94 50.149,95 17.132,96 68.766,97 23.656,98 1.06,99 2.217,100 50.129,101 16.434,102 87.502,103 22.309,104 27,105 55,106 0.233,107 0.516,108 0.69,109 0.768,110 0.773,111 0.777,112 3.616,113 0.967,114 -3.49,115 -3.47,116 -3.31,117 40,118 1,119 5,120 2,123 6,128 5,129 2,130 4,132 2,134 1,145 10,147 1,148 14,152 5,155 1,156 15,157 2,159 5,162 2,163 5,167 10,170 4,171 6,174 2,175 19,178 1,179 8,181 2,182 3,183 10,186 2,187 15,189 1,190 1,191 8,194 2,195 8,198 2,199 1,200 8,202 2,203 3,205 1,206 1,207 4,208 12,210 2690,211 25.091,212 25.091,213 25.091,214 25.091,215 25.091,216 23.225,217 23.179,218 15.158,219 25.79,220 19.705,221 19.705,222 19.705,223 19.705,224 19.705,225 16.554,226 23.846,227 7.147,228 20.893,229 4.644,230 2.844,231 1.734,232 1.239,233 1.211,234 1.182,235 4.311,239 1,240 912,241 4.062,242 133.183,244 306.758,245 164.366,246 1.861,247 39.956,250 1,251 0.67,252 0.83,253 1,254 1,255 0.83,256 0.5,257 0.83,258 79,259 419,260 4.649,261 3.329,262 6.752,263 4.194,264 3.221,265 4.588,266 0.86,267 11.117,268 3.135,269 4.234,270 3.135,271 6.166,272 3.824,273 2.869,274 3.885,275 0.86,276 9.186,277 2.74,278 4.004,279 2.958,280 5.829,281 3.66,282 2.695,283 3.523,284 0.86,285 8.231,286 2.635,287 3.679,288 2.823,289 5.521,290 3.654,291 2.667,292 3.012,293 0.86,294 7.425,295 2.627,296 3.671,297 2.652,298 5.504,299 3.551,300 2.589,301 2.843,303 7.409,304 2.452,305 3.589,306 2.48,307 5.395,308 3.218,309 2.266,310 2.733,312 6.946,313 2.151,314 3.482,315 2.428,316 5.26,317 3.063,318 2.11,319 2.643,320 6.539,321 2.004,322 3.331,323 2.396,324 4.991,325 2.973,326 2.057,327 2.523,328 5.973,329 1.871,330 3.099,331 2.243,332 4.738,333 2.732,334 1.825,335 2.309,336 5.097,337 1.654,338 2.716,339 1.842,340 4.303,341 2.408,342 1.468,343 1.758,344 3.827,345 1.363,346 2.455,347 1.675,348 3.63,349 2.326,350 1.414,351 1.454,352 2.617,353 1.275,354 2.363,355 1.443,356 3.437,357 2.016,358 1.085,359 1.335,360 2.488,361 1.003,362 1.939,363 1.234,364 3.348,365 1.765,366 0.855,367 0.911,368 2.009,369 0.768,370 1.898,371 1.161,372 3.307,373 1.711,374 0.79,375 0.853,376 1.872,377 0.718,378 1.799,379 0.967,380 3.116,381 1.563,382 0.624,383 0.706,384 1.217,385 0.58,386 16.8,387 0.467,388 0.683,389 0.019,390 41.5,391 1.153,392 18,393 0.5,394 23.5,395 0.653,396 37.096,397 1.03,398 40.8,399 0.583,400 33.87,401 0.941,402 7.528,403 0.209,404 10.132,405 0.281,406 0.069,408 0.327,410 0.911,411 1.311,412 0.836,413 1.205,414 0.94,415 1.038,416 1.207,417 1.197,418 1.006,419 1.118,420 0.975,421 1.042,422 1.17,423 0.903,424 0.86,425 0.771,426 0.88,427 0.753,428 1.108,429 0.892,430 0.918,431 0.813,432 0.747,433 0.814,434 0.769,435 1.166,436 0.903,437 1.143,438 0.614,439 1.068,440 0.918,441 1.272,442 1.058,443 1.244,444 0.832,445 1.187,446 1.018,447 1.086,448 0.965,449 1.06,450 0.862,451 1.006,452 1.273,453 1.086,454 1.206,455 1.062,456 1.125,457 1.108,458 7,459 0.198,460 3,461 1.882,462 2.252,463 1.223,464 1.001,465 0.745,466 0.473,467 0.364,468 18558,469 44388,470 2.137,471 48.6,472 11,473 17,476 2,477 2,478 2,480 1.784,481 2.038,482 3.485,483 0.148,487 103.96,488 1.485,489 3.285,490 4.395,491 4.89,492 4.918,493 4.947,494 2.949,495 4.392,496 5.134,497 3.689,498 2324.02,499 9.089,500 36602.3,505 429.05,506 1.256,507 5.118,508 0.175,509 0.004,510 0.061,511 0.034,512 0.039,513 0.019,514 0.015,515 0.011,516 0.008,517 0.007,518 0.374,519 0.33,520 0.63,521 1.204,522 193.869,523 -0.056,524 -0.101,525 0.056,526 -0.039,527 -0.079,528 0.019,529 -0.117,530 -0.117,531 -0.036,532 -0.071,533 -0.049,534 -0.048,535 0.044,536 0.115,537 0.16,538 0.197,539 0.062,540 0.202,541 -0.061,542 0.215,543 0.058,544 0.2,545 -0.056,546 0.164,547 0.066,548 -0.032,549 0.015,550 -0.044,551 0.051,552 -0.033,553 0.031,554 -0.18,555 -0.111,556 -0.188,557 0.018,558 -0.179,559 -0.016,560 -0.048,561 0.016,562 -0.069,563 -0.009,564 -0.027,565 -0.081,566 -0.047,567 -0.2,568 -0.083,569 -0.079,570 -0.153,571 1.627,572 3.299,573 0.611,574 44.025,575 1.004,576 1.127,577 2.263,578 5.121,579 0.642,580 3.714,581 4.025,582 4.234,583 4.522,584 4.852,585 5.05,586 5.263,587 5.447,588 5.598,589 5.659,590 7.212,591 0.611,592 494.64,593 3.714,594 5.252,595 6.107,596 6.989,597 7.869,598 8.763,599 9.654,600 10.553,601 11.451,602 12.354,603 2.9,610 2,612 2,613 5,614 2,617 7,618 17,627 4,629 70,630 17,631 2,632 40,633 74,634 28,635 14,636 7,637 5,639 5,640 6,642 3,645 4,646 2,647 5,649 14,650 14,651 2,663 34,664 8,665 2,666 8,668 2,669 0.8,670 6,671 2,673 1,674 2,676 3,677 1,685 2,687 4,690 1,693 36,696 2,697 11,699 4,701 2,709 8.6,710 2,714 4,716 17.667,717 12.55,718 8.111,719 4.608,720 3.51,721 1.428,722 0.935,723 8.223,724 11.721,725 3.902,726 4.477,727 5.045,728 5.694,729 6.372,730 6.824,731 7.33,732 7.799,733 8.243,734 8.503,735 0.875,736 55,737 13.401,738 5.721,739 7.671,740 26.037,741 21.854,742 2.171,743 78.167,747 376.675,748 121.21,749 33.571,751 129.366,754 121.21,755 506.042,756 33.571,757 8.825,758 31.042,759 132.748,760 33.571,761 77.961,763 376.675,765 376.675,766 154.781,767 129.366,769 355.461,770 67.542,771 85.367,773 44.768,774 74.113,775 33.571,777 376.675,778 162.937,779 121.21,781 376.675,782 65.003,783 56.206,785 162.937,786 376.675,787 162.937,788 121.21,789 0.566,790 0.302,791 0.165,792 0.104,793 26,794 11,795 0.189,796 14,797 1,798 1.091,799 4.652,800 354.951,801 0.091,802 22,803 168.117,806 25.218,807 11.738,808 7.081,809 1.509,810 162.937,811 9.639,812 9.622,815 4.821,816 85.367,817 660.822,818 48.5,825 70.305,826 78.896,827 0.242,828 0.536,829 0.717,830 0.798,831 0.802,832 0.807,833 5.149,834 2.057,835 6.075,836 6.539,837 4.71,838 5.165,839 1.934,840 6.878,841 4.607,842 6.346,843 1.825,844 7.625,845 5.973,846 4.369,847 5.075,849 7.811,850 4.275,851 7.656,852 1.468,853 9.273,854 5.097,855 6.319,856 7.375,857 1.682,858 10.853,859 6.147,860 9,861 1.414,862 10.978,863 3.827,864 6.735,865 8.082,867 12.559,868 6.572,869 10.375,870 1.085,871 12.719,872 2.617,873 8.185,874 9.918,875 1.444,876 15.163,877 7.962,878 11.771,879 0.855,880 14.484,881 2.488,882 8.955,883 11.019,885 17.226,886 8.731,887 13.186,888 0.79,889 16.268,890 2.009,891 10.203,892 12.664,893 1.222,894 19.682,895 9.935,896 3.221,897 0.624,898 18.066,899 1.872,900 11.153,901 13.971,903 21.922,904 10.872,905 2.869,906 11.117,907 19.878,908 1.217,909 12.321,910 15.533,911 1.019,912 24.33,913 12.006,914 2.695,915 9.186,916 21.7,917 4.588,918 13.362,919 16.946,921 26.654,922 13.028,923 2.667,924 8.231,925 23.532,926 3.885,927 14.502,928 18.475,929 0.837,930 29.05,931 14.138,932 2.589,933 7.425,934 25.373,935 3.523,936 15.591,937 19.939,939 31.415,940 15.205,941 2.266,942 7.409,943 27.222,944 3.012,945 16.726,946 21.457,947 0.677,948 33.811,949 16.312,950 2.11,951 6.946,952 29.078,953 2.843,954 17.842,955 22.947,957 36.196,958 17.404,959 17544,960 27310,961 27.334,962 44.921,963 58.215,964 60.547,965 60.245,966 57.974,967 58.177,968 71.372,969 6.88,970 165.654,971 54.925,972 5.6,973 5.329,974 6.616,975 5.293,976 5.221,977 7.588,978 1.72,979 18.389,980 5.135,981 14.517,982 1.455,983 1.514,984 1.506,985 1.449,986 1.454,987 1.784,988 0.172,989 4.141,990 1.373,991 4.115,992 4.137,993 4.089,994 4.028,995 6.459,996 4.039,997 3.936,998 3.973,999 3.857,1000 3.827,1001 6.454,1002 3.827,1003 3.89,1004 3.94,1005 3.76,1006 3.784,1007 5.084,1008 3.771,1009 3.81,1010 3.836,1011 3.717,1012 3.733,1013 4.873,1014 3.726,1015 3.622,1016 3.667,1017 3.535,1018 3.439,1019 4.702,1020 3.45,1021 3.506,1022 3.552,1023 3.349,1024 3.271,1025 4.55,1026 3.272,1027 3.466,1028 3.527,1029 3.296,1030 3.257,1031 4.392,1032 3.265,1033 3.202,1034 3.249,1035 3.088,1036 3.043,1037 4.306,1038 3.047,1039 0.116,1040 0.083,1041 0.169,1042 0.105,1043 0.081,1044 4.649,1045 0.115,1046 3.329,1047 0.022,1048 6.752,1049 0.278,1050 4.194,1051 0.078,1052 3.221,1053 4.588,1054 0.86,1055 11.117,1056 3.135,1057 2.043,1058 2.025,1059 2.092,1060 2.144,1061 1.247,1062 2.128,1063 1.829,1064 1.816,1065 1.919,1066 1.948,1067 1.077,1068 1.937,1069 1.578,1070 1.526,1071 1.829,1072 1.797,1073 1.03,1074 1.8,1075 1.443,1076 1.391,1077 1.727,1078 1.727,1079 1.01,1080 1.725,1081 1.435,1082 1.378,1083 1.712,1084 1.669,1085 0.981,1086 1.691,1087 1.42,1088 1.372,1089 1.673,1090 1.643,1091 0.944,1092 1.651,1093 1.378,1094 1.323,1095 1.636,1096 1.564,1097 0.916,1098 1.59,1099 1.153,1100 1.091,1101 1.513,1102 1.376,1103 0.825,1104 1.429,1105 4.394,1106 2.565,1107 5.707,1108 4.394,1109 7.219,1110 6.107,1111 8.83,1112 7.779,1113 10.499,1114 2.02,1118 18.543,1119 6.967,1121 23.77,1123 1.277,1128 42.76,1129 103.96,1130 229.939,1131 307.666,1132 342.295,1133 344.295,1134 346.295,1135 66.694,1136 8.21,1137 103.16,1138 103.16,1139 24,1140 12.876,1141 4.17,1142 3.248,1143 53.886,1144 149,1145 172,1146 0.169,1147 256.536,1148 452.08,1149 617.708,1150 41244,1152 24.907,1153 0.692,1154 0.576,1155 24.907,1156 20.741,1157 17.661,1158 0.442,1159 0.322,1160 12.688,1161 16.841,1162 12.463,1163 10.223,1164 17.661,1165 12.895,1166 15.35,1167 0.279,1168 0.173,1169 15.35,1170 9.504,1171 12.006,1172 0.177,1173 0.085,1174 12.006,1175 5.763,1176 9.843,1177 0.108,1178 0.041,1179 9.843,1180 3.736,1181 8.74,1182 0.069,1183 0.021,1184 8.74,1185 2.721,1186 0.261,1187 111.829,1188 0.191,1189 32.563,1190 0.482,1191 190,1192 566.532,1193 211.213,1194 521.351,1195 716.93,1196 496,1197 224,1198 520.482,1199 245.439,1200 516.846,1201 768.24,1202 490,1203 4}
{0 CHEMBL330641,1 1.606,2 7.87,3 2.723,4 7.416,5 82.003,6 8.009,7 0.68,8 3.791,9 3.876,10 3.403,11 3.292,12 5.04,13 3.31,14 4.256,15 4.396,16 3.762,17 3.633,18 5.475,19 3.652,20 4.398,21 4.518,22 3.869,23 3.777,24 5.655,25 3.787,26 4.492,27 4.645,28 3.868,29 3.82,30 5.738,31 3.799,32 4.576,33 4.738,34 3.812,35 3.837,36 5.772,37 3.793,38 4.57,39 4.774,40 3.719,41 3.769,42 5.682,43 3.709,44 4.545,45 4.766,46 3.564,47 3.571,48 5.728,49 3.52,50 4.3,51 4.483,52 3.093,53 3.272,54 5.534,55 3.184,56 0.114,57 0.529,58 7.154,59 3.576,60 12.706,61 3.971,62 0.3,63 0.817,64 13.647,65 5.505,66 23.871,67 6.417,68 0.413,69 0.965,70 14.764,71 5.881,72 35.779,73 6.654,74 0.389,75 1.033,76 17.018,77 7.079,78 41.789,79 8.761,80 0.563,81 1.076,82 19.718,83 7.701,84 51.26,85 9.4,86 0.343,87 1.085,88 20.145,89 7.679,90 32.297,91 10.158,92 0.546,93 0.959,94 22.012,95 7.174,96 54.587,97 9.294,98 0.654,99 0.71,100 16.873,101 5.399,102 63.845,103 6.276,104 30,105 36,106 0.285,107 0.621,108 0.73,109 0.783,110 0.792,111 0.801,112 3.19,113 0.834,114 -3.02,115 -3.02,116 -2.91,117 43.6,118 1,122 2,128 5,129 2,130 4,132 2,134 1,145 3,147 1,148 8,151 4,152 5,155 1,156 7,158 2,159 5,162 1,163 3,165 1,166 2,167 6,170 2,171 4,173 2,174 2,175 6,178 1,179 4,182 2,183 1,187 4,189 2,190 4,191 2,195 1,198 2,203 1,205 2,210 675,211 15.359,212 15.359,213 15.359,214 15.359,215 15.359,216 13.336,217 13.971,218 8.819,219 15.912,220 12.235,221 12.235,222 12.235,223 12.235,224 12.235,225 9.008,226 12.899,227 4.049,228 12.958,229 3.679,230 1.788,231 1.176,232 0.879,233 0.827,234 0.776,235 3.866,237 1,238 1,239 1,240 379,241 2.55,244 169.648,245 91.117,246 1.191,247 27.946,248 1,249 1,250 1,251 1,252 1,253 0.6,255 1,256 1,257 0.8,258 51,259 181,260 4.645,261 3.31,262 6.748,263 4.188,264 3.214,265 4.586,266 0.86,267 11.091,268 3.131,269 4.208,270 3.052,271 6.149,272 3.788,273 2.828,274 3.861,275 0.86,276 9.077,277 2.713,278 3.966,279 2.804,280 5.763,281 3.525,282 2.583,283 3.5,285 7.879,286 2.42,287 3.566,288 2.356,289 5.259,290 3.136,291 2.184,292 2.969,294 6.514,295 2.071,296 3.434,297 2.232,298 5.02,299 2.986,300 2.036,301 2.79,303 5.904,304 1.927,305 3.232,306 2.213,307 4.666,308 2.816,309 1.879,310 2.481,312 4.963,313 1.749,314 3.062,315 2.147,316 4.618,317 2.633,318 1.693,319 2.278,320 4.859,321 1.588,322 2.588,323 1.432,324 4.216,325 2.15,326 1.235,327 1.618,328 3.435,329 1.12,330 1.889,331 1.026,332 3.375,333 1.531,334 0.62,335 0.765,336 1.353,337 0.56,338 1.517,339 0.842,340 2.879,341 1.227,342 0.378,343 0.414,344 0.523,345 0.318,346 1.187,347 0.205,348 2.704,349 0.795,350 -0.134,351 -0.169,352 -0.278,353 -0.124,354 1,355 -0.047,356 2.461,357 0.588,358 -0.347,359 -0.445,360 -0.891,361 -0.32,362 0.972,363 -0.071,364 2.398,365 0.533,366 -0.409,367 -0.537,368 -1.079,369 -0.381,370 0.85,371 -0.241,372 2.382,373 0.419,374 -0.511,375 -0.656,376 -1.258,377 -0.465,378 0.519,379 -0.421,380 2.334,381 0.127,382 -0.797,383 -0.899,384 -1.871,385 -0.731,386 10.633,387 0.462,388 0.66,389 0.029,390 33,391 1.435,392 18,393 0.783,394 15,395 0.652,396 15.825,397 0.688,398 24.767,399 0.635,400 24.759,401 1.076,402 6.776,403 0.295,404 4.235,405 0.184,406 0.204,408 0.423,410 0.969,411 1.219,412 0.755,413 1.06,414 1.028,415 0.896,416 1.078,417 0.946,418 0.69,419 0.767,420 0.679,421 0.661,422 1.136,423 1.097,424 1.002,425 0.947,426 1.176,427 0.925,428 0.75,429 1.173,430 0.874,431 1.114,432 0.593,433 1.036,434 0.967,435 1.063,436 1.082,437 1.062,438 0.915,439 1.105,440 0.709,441 1.17,442 0.951,443 1.2,444 0.704,445 1.135,446 1.101,447 0.962,448 1.015,449 1.017,450 0.994,451 0.995,452 1.535,453 1.027,454 1.617,455 1.205,456 1.754,457 1.389,458 6,459 0.012,460 2.444,461 1.938,462 1.982,463 0.938,464 0.753,465 0.398,466 0.209,467 0.081,468 4689,469 14955,470 2.016,471 41,473 11,476 2,477 3,480 1.666,481 1.84,482 2.99,483 0.321,484 1,485 1,486 1,487 62.644,488 1.606,489 3.497,490 4.109,491 4.407,492 4.458,493 4.509,494 2.442,495 4.143,496 4.496,497 3.106,498 785.87,499 7.785,500 8626.27,501 1,502 1,503 1,504 1,505 206.131,506 1.538,507 4.428,508 0.24,509 0.004,510 0.068,511 0.05,512 0.052,513 0.027,514 0.024,515 0.016,516 0.016,517 0.01,518 0.507,519 0.5,520 1,521 0.982,522 104.616,523 -0.122,524 -0.116,525 0.017,526 -0.021,527 -0.199,528 0.021,529 -0.115,530 0.11,531 0.195,532 0.231,533 0.045,534 0.274,535 -0.144,536 0.028,537 -0.157,538 0.021,539 -0.222,540 -0.046,541 0.068,542 -0.117,543 -0.003,544 -0.119,545 0.154,546 -0.085,547 -0.008,548 -0.049,549 -0.166,550 -0.077,551 -0.046,552 -0.157,553 0.022,554 -0.156,555 -0.019,556 -0.226,557 0.018,558 -0.143,559 -0.038,560 -0.026,561 0.03,562 -0.072,563 0.075,564 -0.015,565 -0.157,566 -0.109,567 -0.569,568 -0.274,569 -0.301,570 -0.472,571 1.704,572 3.731,573 0.696,574 16.48,575 1.018,576 1.122,577 1.786,578 3.189,579 0.671,580 3.258,581 3.611,582 3.892,583 4.22,584 4.5,585 4.625,586 4.745,587 4.804,588 4.875,589 4.691,590 4.92,591 0.656,592 312.35,593 3.258,594 4.812,595 5.673,596 6.578,597 7.462,598 8.373,599 9.267,600 10.178,601 11.078,602 11.989,603 5.1,610 2,612 2,613 5,614 2,617 7,618 17,626 2,627 2,629 39,630 17,631 2,632 25,633 41,634 17,635 14,636 7,637 5,639 3,640 4,642 1,649 14,650 3,659 1,660 1,663 16,664 6,665 2,666 6,668 2,669 0.667,670 4,673 1,676 3,677 1,687 2,690 3,693 23,696 2,699 2,709 10.3,711 2,714 2,716 12.5,717 8.05,718 5.111,719 2.05,720 3.431,721 1.485,722 0.925,723 4.07,724 10.508,725 3.541,726 4.234,727 4.885,728 5.567,729 6.229,730 6.638,731 7.089,732 7.517,733 7.93,734 8.061,735 1,736 39,737 8.445,738 3.567,739 7.935,740 15.668,741 12.43,742 2.435,743 56,747 164.795,748 101.447,749 33.571,751 107.366,754 101.447,755 272.162,756 33.571,757 30.591,759 47.381,760 118.938,761 45.474,763 164.795,765 164.795,766 135.018,767 107.366,769 167.123,770 107.366,773 13.726,774 85.393,775 33.571,777 164.795,778 140.938,779 101.447,781 164.795,782 23.474,783 77.973,785 140.938,786 164.795,787 140.938,788 101.447,789 0.583,790 0.347,791 0.203,792 0.117,793 18,794 9,795 0.073,796 3,797 1,798 1.125,799 3.315,800 191.671,801 0.125,802 16,803 96.042,806 15.529,807 6.028,808 2.933,809 1.422,810 140.938,811 7.9,812 8.874,815 2.808,816 85.367,817 407.18,818 33.5,825 39.698,826 43.741,827 0.304,828 0.662,829 0.777,830 0.834,831 0.843,832 0.853,833 4.781,834 1.235,835 5.687,836 4.859,837 4.29,838 4.92,839 1.376,840 6.535,841 4.19,842 6.034,843 0.62,844 7.269,845 3.435,846 4.007,847 4.913,849 7.476,850 3.868,851 7.373,852 0.378,853 8.944,854 1.353,855 5.922,856 7.245,857 1.159,858 10.59,859 5.751,860 8.747,861 -0.134,862 10.672,863 0.523,864 6.382,865 7.989,867 12.322,868 6.175,869 10.147,870 -0.347,871 12.434,872 -0.278,873 7.82,874 9.846,875 0.963,876 14.977,877 7.594,878 11.566,879 -0.409,880 14.22,881 -0.891,882 8.638,883 10.967,885 17.073,886 8.379,887 13.002,888 -0.511,889 16.025,890 -1.079,891 9.888,892 12.622,893 0.787,894 19.559,895 9.613,896 3.214,897 -0.797,898 17.844,899 -1.258,900 10.88,901 13.938,903 21.821,904 10.576,905 2.828,906 11.091,907 19.677,908 -1.871,909 12.058,910 15.506,911 0.634,912 24.245,913 11.736,914 2.583,915 9.077,916 21.519,917 4.586,918 13.133,919 16.922,921 26.582,922 12.785,923 2.184,924 7.879,925 23.37,926 3.861,927 14.286,928 18.454,929 0.504,930 28.987,931 13.919,932 2.036,933 6.514,934 25.229,935 3.5,936 15.4,937 19.92,939 31.358,940 15.01,941 1.879,942 5.904,943 27.094,944 2.969,945 16.548,946 21.439,947 0.395,948 33.757,949 16.137,950 1.693,951 4.963,952 28.964,953 2.79,954 17.683,955 22.93,957 36.144,958 17.248,959 4718,960 8521,961 16.126,962 26.159,963 37.413,964 38.155,965 39.79,966 37.237,967 37.302,968 50.525,969 3.44,970 111.196,971 35.194,972 5.297,973 5.31,974 6.289,975 5.262,976 5.214,977 7.586,978 1.72,979 18.356,980 5.131,981 13.259,982 1.497,983 1.526,984 1.592,985 1.489,986 1.492,987 2.021,988 0.138,989 4.448,990 1.408,991 4.101,992 4.123,993 4.078,994 4.017,995 6.494,996 4.029,997 3.848,998 3.861,999 3.804,1000 3.764,1001 6.446,1002 3.771,1003 3.539,1004 3.58,1005 3.475,1006 3.34,1007 5.081,1008 3.365,1009 3.255,1010 3.318,1011 3.091,1012 3.034,1013 4.764,1014 3.036,1015 3.211,1016 3.286,1017 3.016,1018 2.949,1019 4.501,1020 2.954,1021 3.039,1022 3.094,1023 2.91,1024 2.856,1025 4.424,1026 2.854,1027 2.992,1028 3.006,1029 2.897,1030 2.755,1031 4.097,1032 2.78,1033 2.814,1034 2.898,1035 2.619,1036 2.652,1037 3.894,1038 2.633,1039 0.186,1040 0.132,1041 0.27,1042 0.168,1043 0.129,1044 4.645,1045 0.183,1046 3.31,1047 0.034,1048 6.748,1049 0.444,1050 4.188,1051 0.125,1052 3.214,1053 4.586,1054 0.86,1055 11.091,1056 3.131,1057 2.039,1058 2.022,1059 2.088,1060 2.14,1061 1.23,1062 2.124,1063 1.817,1064 1.803,1065 1.903,1066 1.927,1067 0.997,1068 1.918,1069 1.464,1070 1.417,1071 1.692,1072 1.699,1073 0.736,1074 1.691,1075 1.205,1076 1.139,1077 1.576,1078 1.525,1079 0.58,1080 1.54,1081 1.184,1082 1.105,1083 1.553,1084 1.456,1085 0.574,1086 1.493,1087 1.023,1088 0.965,1089 1.215,1090 1.208,1091 0.323,1092 1.215,1093 0.88,1094 0.856,1095 1.099,1096 1.192,1097 0.142,1098 1.149,1099 0.824,1100 0.752,1101 1.081,1102 1.035,1103 0.084,1104 1.057,1105 3.932,1107 5.273,1109 6.819,1111 8.467,1113 10.17,1114 4.896,1118 19.463,1121 10.636,1128 25.59,1129 62.644,1130 136.382,1131 160.256,1132 171.866,1133 173.866,1134 175.866,1135 39.257,1136 7.077,1137 84.7,1138 84.7,1139 18,1140 12.506,1141 4.17,1142 3.248,1143 36.47,1144 67,1145 66,1146 0.276,1147 157.814,1148 268.92,1149 376.827,1150 9579,1152 16.56,1153 0.72,1154 0.565,1155 16.56,1156 12.992,1157 11.012,1158 0.44,1159 0.278,1160 6.809,1161 10.432,1162 6.551,1163 5.481,1164 11.012,1165 6.953,1166 10.15,1167 0.282,1168 0.141,1169 10.15,1170 5.082,1171 8.251,1172 0.172,1173 0.073,1174 8.251,1175 3.489,1176 7.439,1177 0.111,1178 0.038,1179 7.439,1180 2.524,1181 6.062,1182 0.068,1183 0.02,1184 6.062,1185 1.739,1186 0.411,1187 70.271,1188 0.249,1189 21.82,1190 0.826,1191 122,1192 411.061,1193 136.128,1194 389.435,1195 529.73,1196 364,1197 145,1198 388.785,1199 158.576,1200 395.371,1201 575.06,1202 368,1203 4.854}
{0 CHEMBL345360,1 1.514,2 8.654,3 5.14,4 26.421,5 99.717,6 8.327,7 0.793,8 3.829,9 3.926,10 3.503,11 3.478,12 5.066,13 3.46,14 4.292,15 4.417,16 3.855,17 3.857,18 5.602,19 3.829,20 4.52,21 4.683,22 3.946,23 3.984,24 5.694,25 3.942,26 4.591,27 4.774,28 3.9,29 3.955,30 5.769,31 3.908,32 4.559,33 4.747,34 3.885,35 3.952,36 5.718,37 3.905,38 4.539,39 4.715,40 3.866,41 3.964,42 5.72,43 3.9,44 4.544,45 4.721,46 3.823,47 3.93,48 5.742,49 3.857,50 4.542,51 4.759,52 3.583,53 3.762,54 5.719,55 3.666,56 0.111,57 0.551,58 6.202,59 3.34,60 4.651,61 4.052,62 0.15,63 0.872,64 11.094,65 5.588,66 37.549,67 6.803,68 0.126,69 1.129,70 15.477,71 7.112,72 18.837,73 8.85,74 0.22,75 1.197,76 18.414,77 7.608,78 41.127,79 9.168,80 0.244,81 1.185,82 17.831,83 7.21,84 35.847,85 8.773,86 0.266,87 1.12,88 16.953,89 7.559,90 40.083,91 9.499,92 0.187,93 1.108,94 16.802,95 7.776,96 31.256,97 9.922,98 0.173,99 1.101,100 19.098,101 7.905,102 27.426,103 10.042,104 11,105 41,106 0.259,107 0.525,108 0.701,109 0.86,110 0.888,111 0.888,112 3.306,113 0.848,114 -5.11,115 -5.01,116 -4.69,117 51.2,118 1,128 11,129 4,130 1,131 1,132 3,142 2,145 14,147 1,148 7,152 15,155 1,156 14,159 12,163 12,167 12,170 1,171 7,175 17,178 3,179 4,183 19,186 2,187 8,191 17,195 10,200 9,203 9,208 4,210 996,211 17.706,212 17.706,213 17.706,214 17.706,215 17.706,216 14.741,217 7.379,218 10.451,219 17.871,220 14.332,221 14.332,222 14.332,223 14.332,224 14.332,225 9.962,226 6.614,227 4.949,228 14.597,229 3.844,230 2.288,231 1.258,232 0.33,233 0.165,234 0.165,235 4.004,238 1,239 1,240 488,241 2.646,244 259.117,245 102.33,246 1.219,247 23.369,250 1,251 1,252 1,253 0.4,255 1,256 1,257 0.77,258 55.5,259 225,260 4.629,261 3.78,262 6.746,263 4.185,264 3.206,265 4.55,266 2.612,267 11.068,268 3.136,269 4.294,270 3.208,271 6.405,272 3.895,273 2.904,274 3.979,276 9.777,277 2.879,278 4.216,279 2.942,280 5.989,281 3.721,282 2.745,283 3.891,285 8.487,286 2.679,287 3.818,288 2.525,289 5.677,290 3.343,291 2.36,292 3.333,294 7.43,295 2.317,296 3.446,297 2.1,298 5.073,299 2.993,300 2.017,301 2.85,303 5.799,304 1.966,305 3.244,306 1.985,307 4.655,308 2.66,309 1.676,310 2.587,312 4.668,313 1.647,314 2.922,315 1.505,316 4.033,317 2.414,318 1.433,319 2.126,320 3.347,321 1.414,322 2.86,323 1.474,324 3.792,325 2.403,326 1.414,327 2.015,328 3.029,329 1.389,330 2.815,331 1.424,332 3.631,333 2.263,334 1.272,335 1.929,336 2.935,337 1.259,338 2.611,339 1.175,340 3.585,341 2.085,342 1.104,343 1.653,344 2.747,345 1.081,346 2.578,347 1.099,348 3.494,349 2,350 1,351 1.583,352 2.324,353 1,354 2.242,355 1,356 3.432,357 1.714,358 0.751,359 1.116,360 1.948,361 0.721,362 1.268,363 0.755,364 2.78,365 0.892,366 -0.099,367 -0.128,368 -0.232,369 -0.098,370 1.04,371 0.078,372 2.612,373 0.626,374 -0.351,375 -0.475,376 -0.909,377 -0.342,378 1,379 -0.297,380 2.335,381 0.39,382 -0.577,383 -0.826,384 -1.497,385 -0.557,386 12.367,387 0.476,388 0.627,389 0.024,390 41.25,391 1.587,392 25,393 0.962,394 16.25,395 0.625,396 16.081,397 0.619,398 25.433,399 0.62,400 30.393,401 1.169,402 8.213,403 0.316,404 4.418,405 0.17,406 0.094,408 0.356,410 0.314,411 0.956,412 0.643,413 0.836,414 0.491,415 0.806,416 0.481,417 1.082,418 0.732,419 0.946,420 0.389,421 0.89,422 0.649,423 1.104,424 0.856,425 1.02,426 0.49,427 0.975,428 1.062,429 1.109,430 1.001,431 0.981,432 0.961,433 0.976,434 0.965,435 0.875,436 0.976,437 0.848,438 0.805,439 0.884,440 0.646,441 0.907,442 0.945,443 0.97,444 0.678,445 1.001,446 0.578,447 1.161,448 0.991,449 1.214,450 0.614,451 1.183,452 0.944,453 1.122,454 1.146,455 1.256,456 0.873,457 1.232,458 4.5,459 0.037,460 3.111,461 1.75,462 1.391,463 1.049,464 0.611,465 0.375,466 0.299,467 0.168,468 7187,469 21062,470 2.124,471 36.6,472 3,473 11,475 1,480 1.699,481 2,482 3.119,483 -0.798,487 62.063,488 1.514,489 3.069,490 4.1,491 5.028,492 5.193,493 5.193,494 2.493,495 4.393,496 4.673,497 3.241,498 1053.21,499 8.143,500 12735.1,505 219.66,506 1.37,507 4.637,508 0.155,509 0.005,510 0.076,511 0.04,512 0.034,513 0.026,514 0.015,515 0.01,516 0.011,517 0.011,518 0.383,519 0.33,520 1,521 0.721,522 124.041,523 0.276,524 0.057,525 0.062,526 0.059,527 -0.012,528 0.023,529 0.177,530 -0.096,531 0.051,532 -0.021,533 0.217,534 -0.008,535 0.014,536 -0.093,537 0.005,538 -0.086,539 0.053,540 -0.051,541 -0.132,542 -0.097,543 -0.059,544 -0.033,545 -0.089,546 -0.034,547 -0.113,548 0.169,549 -0.044,550 0.091,551 -0.072,552 0.053,553 0.113,554 0.072,555 -0.036,556 -0.005,557 0.034,558 -0.041,559 0.152,560 -0.21,561 -0.075,562 -0.241,563 0.086,564 -0.208,565 -0.034,566 -0.172,567 -0.114,568 -0.255,569 0.023,570 -0.201,571 2.398,572 4.151,573 0.846,574 19.87,575 1.006,576 1.107,577 3.882,578 15.07,579 0.719,580 3.401,581 3.738,582 4.043,583 4.331,584 4.625,585 4.727,586 4.942,587 5.075,588 5.176,589 5.187,590 5.409,591 0.699,592 341.39,593 3.401,594 4.949,595 5.814,596 6.703,597 7.589,598 8.486,599 9.381,600 10.282,601 11.181,602 12.084,603 7.3,610 2,611 1,612 2,613 12,614 2,617 6,618 23,624 1,629 41,630 25,631 2,632 29,633 44,634 21,635 20,636 4,637 8,639 4,640 5,642 1,649 20,650 1,652 2,654 1,656 2,663 15,664 4,666 5,668 3,669 0.75,670 2,672 2,676 4,677 1,687 3,690 1,693 26,709 4.9,715 2,716 13,717 7.933,718 5.667,719 2.424,720 4.517,721 1.598,722 1.024,723 4.003,724 12.071,725 3.773,726 4.449,727 5.094,728 5.741,729 6.398,730 6.782,731 7.349,732 7.836,733 8.307,734 8.647,735 0.833,736 44,737 9.558,738 4.12,739 7.859,740 18.007,741 14.809,742 2.359,743 61.333,746 1,747 176.567,748 144.655,749 39.241,751 50.747,754 144.655,755 227.313,756 39.241,757 14.495,759 104.239,760 45.342,761 31.591,763 164.795,764 50.747,765 176.567,766 183.897,767 50.747,769 176.567,771 50.747,773 25.53,774 119.125,775 39.241,777 176.567,778 89.988,779 144.655,781 176.567,782 22.544,783 127.781,785 84.318,786 176.567,787 89.988,788 144.655,789 0.583,790 0.347,791 0.191,792 0.109,793 21,794 9,795 0.068,796 3,797 1,798 1.091,799 3.683,800 232.204,801 0.091,802 22,803 118.211,806 16.075,807 6.474,808 3.001,809 1.674,810 84.318,811 22.109,812 9.274,815 4.335,817 411.21,818 42.5,820 -0.398,822 22.301,825 41.262,826 45.405,827 0.283,828 0.573,829 0.765,830 0.938,831 0.969,832 0.969,833 4.989,834 1.414,835 5.802,836 3.347,837 4.419,838 5.136,839 2.501,840 6.637,841 4.383,842 6.228,843 1.272,844 7.375,845 3.029,846 4.007,847 4.987,848 2.361,849 7.585,850 3.951,851 7.552,852 1.104,853 9.051,854 2.935,855 6.028,856 7.436,857 4.154,858 10.714,859 5.954,860 8.916,861 1,862 10.789,863 2.747,864 6.447,865 8.116,866 4.506,867 12.493,868 6.352,869 10.311,870 0.751,871 12.565,872 2.324,873 7.938,874 10.022,875 5.948,876 15.13,877 7.826,878 11.729,879 -0.099,880 14.368,881 1.948,882 8.74,883 11.103,884 6.556,885 17.246,886 8.606,887 13.165,888 -0.351,889 16.189,890 -0.232,891 10.012,892 12.773,893 7.794,894 19.713,895 9.862,896 3.206,897 -0.577,898 18.023,899 -0.909,900 10.993,901 14.055,902 8.548,903 21.975,904 10.82,905 2.904,906 11.068,907 19.867,908 -1.497,909 12.177,910 15.621,911 9.67,912 24.383,913 11.986,914 2.745,915 9.777,916 21.718,917 4.55,918 13.241,919 17.006,920 10.509,921 26.711,922 13.028,923 2.36,924 8.487,925 23.576,926 3.979,927 14.393,928 18.526,929 11.563,930 29.101,931 14.16,932 2.017,933 7.43,934 25.439,935 3.891,936 15.497,937 19.965,938 12.452,939 31.46,940 15.242,941 1.676,942 5.799,943 27.306,944 3.333,945 16.639,946 21.468,947 13.468,948 33.846,949 16.363,950 1.433,951 4.668,952 29.177,953 2.85,954 17.763,955 22.936,956 14.386,957 36.221,958 17.465,959 6885,960 11950,961 19.592,962 29.495,963 44.177,964 45.387,965 45.164,966 43.766,967 43.766,968 63.224,969 5.225,970 127.117,971 42.975,972 5.317,973 5.78,974 6.431,975 5.233,976 5.206,977 7.55,978 4.612,979 18.306,980 5.136,981 11.264,982 1.523,983 1.565,984 1.557,985 1.509,986 1.509,987 2.18,988 0.18,989 4.383,990 1.482,991 4.124,992 4.15,993 4.095,994 4.048,995 7.815,996 4.055,997 3.937,998 3.962,999 3.898,1000 3.848,1001 6.999,1002 3.847,1003 3.86,1004 3.892,1005 3.802,1006 3.769,1007 5.056,1008 3.773,1009 3.494,1010 3.52,1011 3.461,1012 3.255,1013 4.739,1014 3.269,1015 3.341,1016 3.388,1017 3.268,1018 3.061,1019 4.668,1020 3.134,1021 3.169,1022 3.257,1023 2.967,1024 3.02,1025 4.404,1026 2.998,1027 3.011,1028 3.058,1029 2.927,1030 2.894,1031 3.957,1032 2.902,1033 2.812,1034 2.873,1035 2.692,1036 2.708,1037 3.894,1038 2.696,1039 0.16,1040 0.13,1041 0.233,1042 0.144,1043 0.111,1044 4.629,1045 0.157,1046 3.78,1047 0.09,1048 6.746,1049 0.382,1050 4.185,1051 0.108,1052 3.206,1053 4.55,1054 2.612,1055 11.068,1056 3.136,1057 2.068,1058 2.045,1059 2.13,1060 2.161,1061 1.255,1062 2.15,1063 1.908,1064 1.884,1065 2.017,1066 2.041,1067 1.124,1068 2.015,1069 1.835,1070 1.806,1071 1.942,1072 1.95,1073 1.015,1074 1.953,1075 1.351,1076 1.308,1077 1.553,1078 1.652,1079 0.605,1080 1.565,1081 1.209,1082 1.165,1083 1.494,1084 1.473,1085 0.533,1086 1.472,1087 1.191,1088 1.126,1089 1.28,1090 1.418,1091 0.309,1092 1.464,1093 1,1094 0.958,1095 1.188,1096 1.143,1097 0.213,1098 1.159,1099 0.83,1100 0.775,1101 1.102,1102 0.995,1103 0.166,1104 1.034,1105 4.078,1107 5.407,1109 6.95,1111 8.588,1113 10.275,1114 2.039,1128 28.655,1129 62.063,1130 125.831,1131 168.096,1132 206.15,1133 212.905,1134 212.905,1135 39.619,1136 7.554,1137 71.6,1138 71.6,1139 24,1140 12.605,1141 4.7,1142 3.858,1143 37.65,1144 82,1145 80,1146 0.223,1147 175.883,1148 297.72,1149 420.914,1150 18509,1152 18.096,1153 0.696,1154 0.542,1155 18.096,1156 14.086,1157 12.631,1158 0.436,1159 0.283,1160 8.124,1161 12.255,1162 7.907,1163 6.588,1164 12.631,1165 8.199,1166 11.46,1167 0.28,1168 0.148,1169 11.46,1170 6.054,1171 9.785,1172 0.175,1173 0.077,1174 9.785,1175 4.339,1176 8.3,1177 0.111,1178 0.041,1179 8.3,1180 3.051,1181 7.112,1182 0.07,1183 0.021,1184 7.112,1185 2.123,1186 0.336,1187 78.547,1188 0.226,1189 24.415,1190 0.658,1191 140,1192 418.406,1193 149.951,1194 413.718,1195 568.04,1196 384,1197 167,1198 430.647,1199 177.343,1200 436.129,1201 633.92,1202 410,1203 6.469}
{0 CHEMBL345812,1 1.689,2 7.2,3 2.5,4 6.248,5 74.925,6 8.876,7 0.773,8 3.548,9 3.654,10 3.257,11 3.128,12 4.88,13 3.141,14 3.974,15 4.089,16 3.606,17 3.496,18 5.433,19 3.499,20 4.194,21 4.361,22 3.657,23 3.592,24 5.471,25 3.582,26 4.216,27 4.396,28 3.581,29 3.51,30 5.507,31 3.502,32 4.112,33 4.279,34 3.524,35 3.438,36 5.468,37 3.434,38 4.104,39 4.297,40 3.336,41 3.334,42 5.45,43 3.291,44 3.99,45 4.224,46 3.118,47 3.078,48 5.297,49 3.021,50 3.666,51 3.901,52 2.763,53 2.553,54 5.266,55 2.553,56 0.148,57 0.474,58 4.057,59 2.205,60 8.018,61 2.425,62 0.215,63 0.71,64 6.688,65 3.737,66 39.422,67 4.179,68 0.233,69 0.869,70 10.169,71 4.527,72 20.707,73 5.23,74 0.314,75 0.835,76 12.047,77 4.726,78 47.577,79 5.329,80 0.278,81 0.787,82 9.604,83 3.999,84 34.52,85 4.341,86 0.345,87 0.744,88 10.584,89 4.096,90 43.035,91 4.775,92 0.301,93 0.608,94 11.672,95 4.237,96 40.173,97 5.658,98 0.279,99 0.397,100 9.036,101 2.767,102 34.854,103 3.448,104 11,105 31,106 0.312,107 0.601,108 0.761,109 0.882,110 0.882,111 0.882,112 3.059,113 0.806,114 -3.71,115 -3.67,116 -3.49,117 46.7,128 7,129 2,130 1,131 1,132 2,133 1,139 1,140 1,141 1,142 2,145 7,147 1,148 6,149 1,150 1,151 1,152 6,154 1,155 1,156 12,158 1,159 4,161 1,163 9,166 2,167 4,169 2,170 1,171 5,172 1,173 1,174 3,175 6,177 3,178 3,179 2,182 1,183 5,185 1,186 2,187 4,188 1,189 1,190 1,191 3,193 1,195 5,197 2,198 2,200 1,203 2,210 474,211 13.43,212 13.43,213 13.43,214 13.43,215 13.43,216 11.154,217 8.116,218 7.925,219 13.628,220 10.877,221 10.877,222 10.877,223 10.877,224 10.877,225 7.507,226 7.643,227 3.759,228 11.193,229 3.217,230 1.655,231 0.788,232 0.133,233 0.133,234 0.133,235 3.738,237 1,238 1,239 1,240 307,241 2.449,244 142.345,245 75.328,246 1.02,247 24.113,250 1,251 1,252 1,253 0.4,255 1,256 1,257 0.77,258 44,259 144,260 4.599,261 3.78,262 6.714,263 4.141,264 3.165,265 4.527,266 2.612,267 10.947,268 3.088,269 4.253,270 3.159,271 5.992,272 3.745,273 2.77,274 3.966,276 8.507,277 2.7,278 3.819,279 2.541,280 5.678,281 3.347,282 2.364,283 3.333,285 7.437,286 2.321,287 3.558,288 2.254,289 5.016,290 3.095,291 2.156,292 2.976,294 5.946,295 2.02,296 3.244,297 1.987,298 4.65,299 2.659,300 1.676,301 2.587,303 4.664,304 1.647,305 2.89,306 1.473,307 3.837,308 2.367,309 1.4,310 2.078,312 3.08,313 1.352,314 2.813,315 1.406,316 3.629,317 2.256,318 1.267,319 1.924,320 2.933,321 1.251,322 2.587,323 1.163,324 3.522,325 2,326 1,327 1.586,328 2.324,329 1,330 2.275,331 1,332 3.433,333 1.744,334 0.79,335 1.166,336 2.054,337 0.752,338 1.24,339 0.803,340 2.767,341 0.793,342 -0.169,343 -0.23,344 -0.424,345 -0.162,346 1,347 -0.086,348 2.397,349 0.47,350 -0.484,351 -0.659,352 -1.292,353 -0.462,354 0.955,355 -0.42,356 2.205,357 0.293,358 -0.691,359 -1.002,360 -1.718,361 -0.678,362 0.776,363 -0.519,364 2,365 0.17,366 -0.815,367 -1.143,368 -2,369 -0.801,370 0.637,371 -0.746,372 2,374 -1,375 -1.386,376 -2.243,377 -0.962,378 0.448,379 -0.933,380 1.566,381 -0.031,382 -1,383 -1.632,384 -2.447,385 -1,386 9.267,387 0.463,388 0.524,389 0.026,390 32.5,391 1.625,392 19.5,393 0.975,394 13,395 0.65,396 10.02,397 0.501,398 20.133,399 0.671,400 22.078,401 1.104,402 6.506,403 0.325,404 3.141,405 0.157,406 0.115,408 0.367,410 0.451,411 0.969,412 0.629,413 0.765,414 0.604,415 0.739,416 0.478,417 1.121,418 0.691,419 1.011,420 0.383,421 0.926,422 0.749,423 1.082,424 0.886,425 1.016,426 0.562,427 0.975,428 1.109,429 1.127,430 0.977,431 0.981,432 1.033,433 0.953,434 1.013,435 1.064,436 1.064,437 1.054,438 0.914,439 1.058,440 0.9,441 1.025,442 1.228,443 1.135,444 0.934,445 1.229,446 0.669,447 0.986,448 0.908,449 1.157,450 0.809,451 1.113,452 1.264,453 0.859,454 1.026,455 1.092,456 1.165,457 1.012,458 4,460 2.222,461 1.375,462 1.249,463 0.604,464 0.366,465 0.29,466 0.094,467 0.031,468 3390,469 11806,470 2.077,471 33.3,473 7,475 1,476 2,480 1.624,481 1.935,482 2.885,483 0.41,485 1,486 1,487 50.684,488 1.689,489 3.252,490 4.119,491 4.774,492 4.774,493 4.774,494 2.228,495 4.022,496 4.297,497 2.978,498 565.864,499 7.371,500 5653.42,501 1,502 1,504 1,505 147.207,506 1.441,507 4.248,508 0.182,510 0.072,511 0.043,512 0.043,513 0.022,514 0.017,515 0.018,516 0.009,517 0.016,518 0.423,519 0.67,520 1,521 0.843,522 86.448,523 0.181,524 0.136,525 0.028,526 0.15,527 -0.077,528 0.071,529 0.191,530 -0.086,531 0.029,532 -0.06,533 0.235,534 -0.058,535 -0.065,536 -0.053,537 -0.042,538 -0.073,539 0.006,540 -0.049,541 -0.185,542 -0.161,543 -0.025,544 -0.015,545 -0.121,546 0.013,547 -0.138,548 -0.032,549 -0.186,550 -0.133,551 -0.094,552 -0.162,553 -0.002,554 -0.033,555 -0.261,556 -0.193,557 -0.083,558 -0.271,559 0.26,560 -0.113,561 0.243,562 -0.134,563 0.118,564 0.006,565 0.129,566 -0.005,567 0.239,568 -0.094,569 0.335,570 0.075,571 2.439,572 3.86,573 0.8,574 11.9,575 1.024,576 1.122,577 2.475,578 6.126,579 0.707,580 3.135,581 3.466,582 3.738,583 4.025,584 4.304,585 4.317,586 4.431,587 4.466,588 4.477,589 4.344,590 4.539,591 0.703,592 266.28,593 3.135,594 4.673,595 5.525,596 6.412,597 7.288,598 8.179,599 9.064,600 9.957,601 10.846,602 11.739,603 13.3,605 1,610 2,611 1,612 2,613 8,614 2,617 4,618 17,622 1,624 1,629 30,630 19,631 1,632 22,633 32,634 14,635 14,636 2,637 4,639 3,640 4,649 14,652 2,654 1,656 2,659 1,660 1,663 10,664 5,665 2,666 6,668 4,669 0.667,670 2,672 2,676 3,677 1,687 2,693 20,694 1,709 6.7,715 2,716 10.333,717 5.433,718 4.361,719 1.632,720 3.66,721 1.541,722 1.016,723 2.954,724 10.423,725 3.512,726 4.19,727 4.814,728 5.464,729 6.11,730 6.43,731 6.906,732 7.307,733 7.699,734 7.879,735 0.8,736 32,737 7.315,738 3.161,739 8.1,740 13.422,741 10.853,742 2.6,743 52,747 94.169,748 91.125,749 72.138,751 50.747,754 91.125,755 144.916,756 72.138,757 5.67,759 99.231,760 45.342,761 22.464,762 2.328,763 82.398,764 50.747,765 94.169,766 163.264,767 50.747,769 94.169,771 50.747,773 13.948,774 110.074,775 39.241,777 94.169,778 122.885,779 91.125,781 94.169,782 15.744,783 81.051,785 117.215,786 94.169,787 122.885,788 91.125,789 0.583,790 0.34,791 0.19,792 0.112,793 16,794 7,795 0.063,796 2,797 1,798 1.125,799 3.155,800 155.489,801 0.125,802 16,803 84.439,806 12.363,807 4.779,808 2.29,809 1.517,810 117.215,811 13.335,812 8.55,815 1.53,816 32.897,817 308.179,818 32.5,820 -0.439,822 21.72,825 30.713,826 33.658,827 0.344,828 0.663,829 0.839,830 0.973,831 0.973,832 0.973,833 4.721,834 1,835 5.517,836 2.933,837 4.143,838 4.875,839 2.501,840 6.34,841 4.089,842 5.965,843 0.79,844 7.083,845 2.324,846 3.761,847 4.783,848 2.361,849 7.265,850 3.675,851 7.292,852 -0.169,853 8.75,854 2.054,855 5.74,856 7.189,857 4.154,858 10.382,859 5.633,860 8.657,861 -0.484,862 10.477,863 -0.424,864 6.155,865 7.904,866 4.506,867 12.141,868 6.018,869 10.052,870 -0.691,871 12.242,872 -1.292,873 7.631,874 9.79,875 5.948,876 14.78,877 7.476,878 11.469,879 -0.815,880 14.035,881 -1.718,882 8.423,883 10.896,884 6.556,885 16.893,886 8.24,887 12.903,888 -1,889 15.846,890 -2,891 9.69,892 12.559,893 7.794,894 19.366,895 9.488,896 3.165,897 -1,898 17.672,899 -2.243,900 10.664,901 13.863,902 8.548,903 21.634,904 10.435,905 2.77,906 10.947,907 19.51,908 -2.447,909 11.845,910 15.427,911 9.67,912 24.05,913 11.596,914 2.364,915 8.507,916 21.357,917 4.527,918 12.905,919 16.828,920 10.509,921 26.385,922 12.63,923 2.156,924 7.437,925 23.211,926 3.966,927 14.055,928 18.352,929 11.563,930 28.782,931 13.758,932 1.676,933 5.946,934 25.072,935 3.333,936 15.157,937 19.802,938 12.452,939 31.147,940 14.834,941 1.4,942 4.664,943 26.939,944 2.976,945 16.297,946 21.308,947 13.468,948 33.539,949 15.951,950 1.267,951 3.08,952 28.81,953 2.587,954 17.419,955 22.783,956 14.386,957 35.919,958 17.048,959 3359,960 6379,961 14.622,962 21.216,963 33.482,964 34.768,965 34.215,966 33.199,967 33.175,968 48.286,969 5.225,970 95.782,971 32.261,972 5.252,973 5.78,974 6.396,975 5.185,976 5.165,977 7.527,978 4.612,979 18.176,980 5.088,981 9.307,982 1.522,983 1.58,984 1.555,985 1.509,986 1.508,987 2.195,988 0.237,989 4.354,990 1.466,991 4.101,992 4.13,993 4.072,994 4.013,995 7.815,996 4.022,997 3.916,998 3.944,999 3.882,1000 3.79,1001 6.999,1002 3.799,1003 3.501,1004 3.539,1005 3.464,1006 3.279,1007 5.2,1008 3.297,1009 3.412,1010 3.465,1011 3.338,1012 3.063,1013 4.877,1014 3.143,1015 3.032,1016 3.091,1017 2.947,1018 2.892,1019 4.669,1020 2.903,1021 2.821,1022 2.922,1023 2.672,1024 2.585,1025 4.233,1026 2.597,1027 2.701,1028 2.77,1029 2.568,1030 2.524,1031 3.937,1032 2.533,1033 2.573,1034 2.636,1035 2.446,1036 2.318,1037 3.598,1038 2.366,1039 0.209,1040 0.172,1041 0.305,1042 0.188,1043 0.144,1044 4.599,1045 0.206,1046 3.78,1047 0.119,1048 6.714,1049 0.498,1050 4.141,1051 0.14,1052 3.165,1053 4.527,1054 2.612,1055 10.947,1056 3.088,1057 2.043,1058 2.018,1059 2.104,1060 2.152,1061 1.212,1062 2.136,1063 1.857,1064 1.83,1065 1.955,1066 2.026,1067 1.028,1068 1.988,1069 1.393,1070 1.339,1071 1.552,1072 1.658,1073 0.522,1074 1.605,1075 1.201,1076 1.171,1077 1.285,1078 1.586,1079 0.286,1080 1.53,1081 1.007,1082 0.959,1083 1.206,1084 1.194,1085 0.213,1086 1.202,1087 0.773,1088 0.678,1089 1.092,1090 1.067,1092 1.085,1093 0.671,1094 0.608,1095 0.919,1096 0.905,1098 0.923,1099 0.505,1100 0.453,1101 0.766,1102 0.789,1104 0.811,1105 3.807,1107 5.13,1109 6.663,1111 8.294,1113 9.977,1117 5.787,1128 21.096,1129 50.684,1130 97.555,1131 123.555,1132 143.207,1133 143.207,1134 143.207,1135 30.874,1136 6.763,1137 97.62,1138 97.62,1139 18,1140 12.267,1141 4.322,1142 3.524,1143 29.718,1144 53,1145 50,1146 0.279,1147 131.706,1148 218.8,1149 313.123,1150 6764,1152 14.113,1153 0.706,1154 0.518,1155 14.113,1156 10.354,1157 9.648,1158 0.439,1159 0.269,1160 5.826,1161 9.231,1162 5.729,1163 4.757,1164 9.648,1165 5.911,1166 8.88,1167 0.286,1168 0.138,1169 8.88,1170 4.278,1171 7.201,1172 0.176,1173 0.072,1174 7.201,1175 2.938,1176 6.148,1177 0.112,1178 0.038,1179 6.148,1180 2.074,1181 5.344,1182 0.073,1183 0.02,1184 5.344,1185 1.44,1186 0.416,1187 60.937,1188 0.262,1189 19.36,1190 0.835,1191 106,1192 359.719,1193 117.034,1194 352.149,1195 474.26,1196 324,1197 125,1198 356.492,1199 135.843,1200 357.488,1201 516.35,1202 335,1203 5.337}
{0 CHEMBL351500,1 1.576,2 7.818,3 3.722,4 13.853,5 83.775,6 8.324,7 0.708,8 3.667,9 3.768,10 3.333,11 3.282,12 4.938,13 3.269,14 4.117,15 4.245,16 3.663,17 3.638,18 5.471,19 3.615,20 4.347,21 4.528,22 3.738,23 3.745,24 5.548,25 3.71,26 4.381,27 4.572,28 3.69,29 3.702,30 5.595,31 3.669,32 4.291,33 4.457,34 3.659,35 3.693,36 5.521,37 3.657,38 4.333,39 4.516,40 3.567,41 3.678,42 5.565,43 3.605,44 4.315,45 4.532,46 3.421,47 3.543,48 5.532,49 3.451,50 4.151,51 4.394,52 3.089,53 3.198,54 5.406,55 3.111,56 0.114,57 0.494,58 5.363,59 2.867,60 5.62,61 3.471,62 0.161,63 0.765,64 9.416,65 4.672,66 38.244,67 5.67,68 0.172,69 0.976,70 13.851,71 5.821,72 21.743,73 7.322,74 0.251,75 0.969,76 15.693,77 6.027,78 44.039,79 7.336,80 0.207,81 0.912,82 12.729,83 5.34,84 30.363,85 6.298,86 0.276,87 0.921,88 14.022,89 6.006,90 38.635,91 7.517,92 0.227,93 0.865,94 15.373,95 6.366,96 36.826,97 8.48,98 0.189,99 0.708,100 14.401,101 5.23,102 26.563,103 6.774,104 15,105 33,106 0.282,107 0.591,108 0.785,109 0.885,110 0.885,111 0.885,112 3.148,113 0.849,114 -4.07,115 -4.02,116 -3.8,117 48.6,119 1,126 1,127 1,128 7,129 2,130 1,131 1,132 3,142 2,145 9,147 1,148 7,152 8,155 1,156 13,159 6,163 10,167 8,170 1,171 6,175 12,178 3,179 3,183 11,186 2,187 6,191 8,195 8,200 3,203 5,208 1,210 656,211 15.008,212 15.008,213 15.008,214 15.008,215 15.008,216 12.654,217 11.017,218 9.037,219 15.176,220 11.842,221 11.842,222 11.842,223 11.842,224 11.842,225 8.295,226 12.496,227 4.21,228 12.113,229 3.553,230 1.82,231 0.733,232 0.171,233 0.171,234 0.171,235 3.83,237 1,238 1,239 1,240 362,241 2.828,244 161.562,245 86.902,246 1.124,247 23.317,249 1,250 1,251 1,252 1,253 0.4,255 1,256 1,257 0.77,258 47.5,259 172,260 4.603,261 3.78,262 6.718,263 4.147,264 3.17,265 4.529,266 2.612,267 10.966,268 3.096,269 4.253,270 3.184,271 5.993,272 3.748,273 2.773,274 3.966,275 0.68,276 8.515,277 2.705,278 3.819,279 2.639,280 5.68,281 3.356,282 2.371,283 3.333,285 7.449,286 2.331,287 3.654,288 2.485,289 5.293,290 3.258,291 2.29,292 3.06,294 6.763,295 2.215,296 3.244,297 1.989,298 4.655,299 2.66,300 1.676,301 2.588,303 4.669,304 1.647,305 2.918,306 1.528,307 3.875,308 2.403,309 1.434,310 2.106,312 3.15,313 1.387,314 2.815,315 1.461,316 3.654,317 2.262,318 1.272,319 1.927,320 2.934,321 1.258,322 2.649,323 1.314,324 3.555,325 2.068,326 1.084,327 1.587,328 2.327,329 1.065,330 2.585,331 1.159,332 3.434,333 2,334 1,335 1.522,336 2.249,337 1,338 2.268,339 1,340 3.119,341 1.723,342 0.761,343 1.133,344 1.64,345 0.73,346 1.325,347 0.789,348 2.758,349 0.841,350 -0.143,351 -0.204,352 -0.294,353 -0.14,354 1.003,355 -0.008,356 2.372,357 0.531,358 -0.439,359 -0.61,360 -1.038,361 -0.425,362 1,363 -0.379,364 2.161,365 0.309,366 -0.671,367 -0.988,368 -1.591,369 -0.657,370 0.808,371 -0.502,372 2,373 0.238,374 -0.743,375 -1.075,376 -1.735,377 -0.726,378 0.728,379 -0.639,380 2,381 0.131,382 -0.856,383 -1.25,384 -2,385 -0.844,386 10.367,387 0.471,388 0.486,389 0.022,390 33.75,391 1.534,392 20,393 0.909,394 13.75,395 0.625,396 12.578,397 0.572,398 22.033,399 0.63,400 23.958,401 1.089,402 6.835,403 0.311,404 3.851,405 0.175,406 0.113,408 0.328,410 0.317,411 1.024,412 0.645,413 0.883,414 0.523,415 0.841,416 0.496,417 1.191,418 0.762,419 1.035,420 0.414,421 0.963,422 0.707,423 1.065,424 0.846,425 0.969,426 0.525,427 0.927,428 1.096,429 1.015,430 0.928,431 0.871,432 0.982,433 0.862,434 0.987,435 0.987,436 1.046,437 0.983,438 0.869,439 1.005,440 0.71,441 0.997,442 1.1,443 1.119,444 0.741,445 1.172,446 0.576,447 1.119,448 0.963,449 1.219,450 0.65,451 1.181,452 1.101,453 1.037,454 1.073,455 1.196,456 1.07,457 1.133,458 4,460 2.222,461 1.375,462 1.289,463 0.694,464 0.426,465 0.349,466 0.197,467 0.087,468 4348,469 13831,470 2.07,471 37.1,473 10,475 1,477 2,480 1.653,481 1.941,482 2.995,483 -0.762,485 1,486 1,487 55.177,488 1.576,489 3.309,490 4.396,491 4.958,492 4.958,493 4.958,494 2.431,495 3.754,496 4.43,497 3.102,498 716.499,499 7.652,500 7728.14,501 1,502 1,503 1,504 1,505 179.525,506 1.395,507 4.392,508 0.167,510 0.067,511 0.039,512 0.039,513 0.022,514 0.015,515 0.015,516 0.013,517 0.014,518 0.392,519 0.5,520 1,521 1.112,522 98.983,523 0.28,524 0.032,525 0.06,526 0.045,527 -0.023,528 0.007,529 0.175,530 -0.176,531 0.018,532 -0.09,533 0.203,534 -0.07,535 -0.011,536 -0.03,537 0.04,538 -0.027,539 0.041,540 0.011,541 -0.147,542 -0.012,543 0.03,544 0.085,545 -0.079,546 0.092,547 -0.139,548 0.055,549 -0.176,550 -0.054,551 -0.103,552 -0.103,553 0.085,554 -0.009,555 -0.187,556 -0.155,557 0.003,558 -0.214,559 0.203,560 -0.203,561 0.046,562 -0.213,563 0.121,564 -0.137,565 -0.027,566 -0.128,567 0.046,568 -0.193,569 0.034,570 -0.073,571 2.41,572 3.974,573 0.727,574 15.455,575 1.011,576 1.114,577 2.84,578 8.066,579 0.707,580 3.219,581 3.526,582 3.807,583 4.094,584 4.382,585 4.454,586 4.605,587 4.654,588 4.673,589 4.564,590 4.915,591 0.689,592 291.33,593 3.219,594 4.745,595 5.595,596 6.475,597 7.352,598 8.242,599 9.128,600 10.022,601 10.913,602 11.809,603 8.6,610 2,611 1,612 2,613 8,614 2,617 4,618 17,624 1,629 35,630 20,631 1,632 24,633 37,634 17,635 14,636 2,637 4,639 3,640 4,647 1,649 16,650 1,652 3,653 1,654 1,656 2,657 1,660 1,663 13,664 4,666 5,668 3,669 0.667,670 2,672 2,676 3,677 1,682 1,683 1,687 2,693 22,697 1,709 5.7,715 2,716 11.333,717 6.433,718 4.944,719 2.007,720 3.71,721 1.534,722 0.992,723 3.735,724 10.653,725 3.597,726 4.234,727 4.854,728 5.508,729 6.157,730 6.518,731 7.024,732 7.434,733 7.825,734 8.032,735 1,736 35,737 8.067,738 3.425,739 7.977,740 15.023,741 12.084,742 2.477,743 54.5,747 153.024,748 119.332,749 39.241,751 50.747,754 119.332,755 203.771,756 39.241,757 5.67,758 18.301,759 75.81,760 45.342,761 25.22,763 141.253,764 50.747,765 153.024,766 158.573,767 50.747,769 153.024,771 50.747,773 19.24,774 90.616,775 48.717,777 153.024,778 89.988,779 119.332,781 153.024,782 18.707,783 90.527,785 100.085,786 153.024,787 89.988,788 119.332,789 0.57,790 0.334,791 0.19,792 0.113,793 16,794 7,795 0.108,796 4,797 1,798 1.125,799 3.334,800 175.957,801 0.125,802 16,803 96.107,806 14.059,807 5.844,808 2.788,809 1.687,810 84.318,811 13.92,812 8.98,815 2.233,817 362.344,818 35.5,819 3.731,820 -0.41,822 21.948,823 1.78,825 35.378,826 38.99,827 0.307,828 0.645,829 0.857,830 0.967,831 0.967,832 0.967,833 4.798,834 1.084,835 5.572,836 2.934,837 4.205,838 4.92,839 2.575,840 6.389,841 4.16,842 6.024,843 1,844 7.13,845 2.327,846 3.761,847 4.783,848 2.361,849 7.302,850 3.689,851 7.34,852 0.761,853 8.792,854 2.249,855 5.79,856 7.211,857 4.161,858 10.423,859 5.697,860 8.697,861 -0.143,862 10.516,863 1.64,864 6.176,865 7.912,866 4.506,867 12.176,868 6.053,869 10.085,870 -0.439,871 12.279,872 -0.294,873 7.673,874 9.803,875 5.948,876 14.812,877 7.532,878 11.498,879 -0.671,880 14.07,881 -1.038,882 8.45,883 10.906,884 6.556,885 16.92,886 8.28,887 12.929,888 -0.743,889 15.879,890 -1.591,891 9.725,892 12.569,893 7.794,894 19.391,895 9.536,896 3.17,897 -0.856,898 17.703,899 -1.735,900 10.692,901 13.871,902 8.548,903 21.657,904 10.475,905 2.773,906 10.966,907 19.539,908 -2,909 11.876,910 15.436,911 9.67,912 24.072,913 11.638,914 2.371,915 8.515,916 21.383,917 4.529,918 12.933,919 16.836,920 10.509,921 26.407,922 12.67,923 2.29,924 7.449,925 23.236,926 3.966,927 14.084,928 18.359,929 11.563,930 28.805,931 13.799,932 1.676,933 6.763,934 25.095,935 3.333,936 15.184,937 19.81,938 12.452,939 31.172,940 14.875,941 1.434,942 4.669,943 26.959,944 3.06,945 16.325,946 21.316,947 13.468,948 33.564,949 15.993,950 1.272,951 3.15,952 28.829,953 2.588,954 17.448,955 22.792,956 14.386,957 35.945,958 17.091,959 4338,960 7867,961 16.008,962 24.733,963 36.035,964 37.377,965 36.97,966 35.666,967 35.661,968 51.505,969 6.585,970 101.322,971 34.87,972 5.286,973 5.78,974 6.484,975 5.193,976 5.17,977 7.529,978 4.612,979 18.196,980 5.096,981 10.208,982 1.501,983 1.557,984 1.54,985 1.486,986 1.486,987 2.146,988 0.274,989 4.222,990 1.453,991 4.108,992 4.136,993 4.078,994 4.024,995 7.815,996 4.033,997 3.919,998 3.946,999 3.884,1000 3.795,1001 6.999,1002 3.803,1003 3.607,1004 3.662,1005 3.499,1006 3.499,1007 5.048,1008 3.489,1009 3.488,1010 3.511,1011 3.45,1012 3.195,1013 4.713,1014 3.22,1015 3.278,1016 3.335,1017 3.168,1018 3.04,1019 4.668,1020 3.099,1021 3.003,1022 3.055,1023 2.914,1024 2.882,1025 4.424,1026 2.887,1027 2.744,1028 2.829,1029 2.591,1030 2.59,1031 3.957,1032 2.576,1033 2.696,1034 2.764,1035 2.555,1036 2.524,1037 3.612,1038 2.533,1039 0.192,1040 0.158,1041 0.28,1042 0.173,1043 0.132,1044 4.603,1045 0.189,1046 3.78,1047 0.109,1048 6.718,1049 0.457,1050 4.147,1051 0.129,1052 3.17,1053 4.529,1054 2.612,1055 10.966,1056 3.096,1057 2.052,1058 2.028,1059 2.117,1060 2.155,1061 1.243,1062 2.142,1063 1.862,1064 1.835,1065 1.964,1066 2.029,1067 1.052,1068 1.992,1069 1.614,1070 1.563,1071 1.822,1072 1.757,1073 0.888,1074 1.782,1075 1.306,1076 1.261,1077 1.482,1078 1.649,1079 0.467,1080 1.558,1081 1.183,1082 1.148,1083 1.282,1084 1.434,1085 0.274,1086 1.443,1087 0.994,1088 0.948,1089 1.204,1090 1.146,1091 0.213,1092 1.166,1093 0.763,1094 0.684,1095 1.109,1096 0.987,1097 0.119,1098 1.035,1099 0.671,1100 0.608,1101 0.921,1102 0.902,1104 0.922,1105 3.892,1107 5.198,1109 6.72,1111 8.344,1113 10.023,1119 0.632,1128 24.128,1129 55.177,1130 115.82,1131 153.873,1132 173.525,1133 173.525,1134 173.525,1135 35.636,1136 6.943,1137 71.6,1138 71.6,1139 18,1140 12.335,1141 4.392,1142 3.644,1143 34.137,1144 62,1145 70,1146 0.269,1147 150.761,1148 257.06,1149 359.618,1150 8427,1152 15.527,1153 0.706,1154 0.535,1155 15.527,1156 11.769,1157 10.686,1158 0.445,1159 0.283,1160 6.717,1161 10.308,1162 6.574,1163 5.481,1164 10.686,1165 6.792,1166 9.429,1167 0.286,1168 0.147,1169 9.429,1170 4.838,1171 7.76,1172 0.176,1173 0.076,1174 7.76,1175 3.325,1176 6.624,1177 0.112,1178 0.04,1179 6.624,1180 2.361,1181 5.674,1182 0.072,1183 0.021,1184 5.674,1185 1.653,1186 0.403,1187 66.876,1188 0.25,1189 21.151,1190 0.798,1191 114,1192 366.406,1193 123.951,1194 359.494,1195 485.83,1196 332,1197 134,1198 363.647,1199 144.176,1200 365.591,1201 528.55,1202 343,1203 6.824}
{0 CHEMBL351613,1 1.595,2 8.6,3 3.503,4 12.273,5 92.519,6 8.874,7 0.821,8 3.75,9 3.843,10 3.475,11 3.385,12 5.04,13 3.386,14 4.193,15 4.306,16 3.814,17 3.754,18 5.573,19 3.747,20 4.416,21 4.578,22 3.883,23 3.859,24 5.64,25 3.836,26 4.442,27 4.62,28 3.823,29 3.798,30 5.685,31 3.778,32 4.364,33 4.524,34 3.829,35 3.802,36 5.607,37 3.787,38 4.384,39 4.535,40 3.802,41 3.821,42 5.662,43 3.782,44 4.423,45 4.611,46 3.726,47 3.746,48 5.681,49 3.694,50 4.321,51 4.536,52 3.469,53 3.492,54 5.586,55 3.439,56 0.125,57 0.534,58 4.636,59 2.781,60 2.284,61 3.106,62 0.196,63 0.832,64 8.024,65 4.46,66 36.891,67 4.827,68 0.195,69 1.051,70 12.538,71 5.96,72 16.308,73 6.942,74 0.322,75 1.064,76 14.686,77 6.048,78 43.72,79 6.612,80 0.253,81 0.992,82 12.262,83 5.467,84 31.516,85 5.942,86 0.283,87 0.993,88 11.755,89 5.803,90 34.674,91 6.563,92 0.288,93 1.021,94 14.393,95 6.453,96 34.084,97 7.93,98 0.236,99 0.895,100 14.868,101 5.995,102 22.331,103 7.252,104 6,105 39,106 0.278,107 0.498,108 0.713,109 0.87,110 0.898,111 0.898,112 3.268,113 0.818,114 -3.89,115 -3.85,116 -3.65,117 51.4,128 9,129 3,130 1,131 3,132 3,142 2,145 9,147 1,148 9,152 8,155 1,156 14,159 6,162 1,163 11,167 8,170 1,171 7,175 12,178 3,179 5,183 11,186 3,187 9,191 8,195 9,200 3,202 1,203 6,208 1,210 915,211 17.206,212 17.206,213 17.206,214 17.206,215 17.206,216 14.294,217 4.953,218 10.292,219 17.436,220 13.865,221 13.865,222 13.865,223 13.865,224 13.865,225 9.573,226 5.143,227 4.904,228 14.225,229 3.614,230 2.353,231 1.116,232 0.216,233 0.054,234 0.054,235 3.97,237 1,238 1,239 1,240 469,241 2.55,244 248.144,245 98.301,246 1.216,247 24.934,248 1,249 1,250 1,251 1,252 1,253 0.4,255 1,256 1,257 0.77,258 54,259 215,260 4.62,261 3.78,262 6.733,263 4.169,264 3.192,265 4.545,266 2.612,267 11.024,268 3.117,269 4.262,270 3.182,271 6.109,272 3.788,273 2.807,274 3.97,276 8.944,277 2.754,278 4.082,279 2.731,280 5.977,281 3.656,282 2.677,283 3.678,285 8.437,286 2.617,287 3.817,288 2.51,289 5.675,290 3.341,291 2.359,292 3.333,294 7.424,295 2.314,296 3.326,297 1.991,298 4.67,299 2.791,300 1.835,301 2.724,303 4.741,304 1.752,305 3.242,306 1.831,307 4.514,308 2.659,309 1.676,310 2.586,312 4.585,313 1.646,314 2.922,315 1.475,316 3.85,317 2.398,318 1.432,319 2.126,320 3.138,321 1.381,322 2.815,323 1.424,324 3.653,325 2.263,326 1.273,327 1.93,328 2.935,329 1.259,330 2.626,331 1.179,332 3.568,333 2.083,334 1.118,335 1.677,336 2.679,337 1.077,338 2.581,339 1.109,340 3.439,341 2,342 1,343 1.583,344 2.324,345 1,346 2.5,347 1,348 3.413,349 1.956,350 1,351 1.5,352 2.136,353 0.953,354 2.237,355 1,356 3.247,357 1.706,358 0.744,359 1.107,360 1.931,361 0.714,362 1.194,363 0.746,364 2.771,365 0.731,366 -0.243,367 -0.34,368 -0.646,369 -0.236,370 1,371 -0.242,372 2.527,373 0.456,374 -0.505,375 -0.706,376 -1.328,377 -0.484,378 0.949,379 -0.457,380 2.322,381 0.295,382 -0.688,383 -1,384 -1.71,385 -0.674,386 11.767,387 0.471,388 0.538,389 0.022,390 41.25,391 1.65,392 25,393 1,394 16.25,395 0.65,396 13.593,397 0.544,398 24.233,399 0.655,400 29.552,401 1.182,402 8.238,403 0.33,404 3.983,405 0.159,406 0.057,408 0.331,410 0.357,411 1.021,412 0.589,413 0.834,414 0.489,415 0.78,416 0.583,417 1.122,418 0.786,419 0.973,420 0.434,421 0.925,422 0.692,423 1.106,424 0.86,425 1.028,426 0.511,427 0.982,428 1.127,429 0.967,430 1.006,431 0.88,432 1.042,433 0.902,434 0.972,435 0.92,436 0.938,437 0.867,438 0.852,439 0.877,440 0.72,441 1.032,442 1.043,443 1.098,444 0.751,445 1.134,446 0.638,447 1.079,448 0.981,449 1.17,450 0.661,451 1.154,452 1.043,453 1.139,454 1.078,455 1.238,456 0.966,457 1.175,458 4,459 0.037,460 2.667,461 1.313,462 1.28,463 0.965,464 0.408,465 0.321,466 0.258,467 0.113,468 6618,469 21119,470 2.154,471 32.4,473 9,475 3,480 1.688,481 2.055,482 3.115,483 -0.751,485 1,486 1,487 59.02,488 1.595,489 2.857,490 4.094,491 4.993,492 5.155,493 5.155,494 2.493,495 4.054,496 4.615,497 3.226,498 967.828,499 8.025,500 11395.4,501 1,502 1,503 1,504 1,505 192.75,506 1.26,507 4.592,508 0.143,509 0.006,510 0.068,511 0.032,512 0.034,513 0.025,514 0.011,515 0.01,516 0.011,517 0.009,518 0.348,519 0.5,520 1,521 0.663,522 117.819,523 0.246,524 -0.004,525 0.063,526 0.037,527 -0.009,528 0.008,529 0.103,530 -0.119,531 -0.062,532 -0.081,533 0.18,534 -0.096,535 -0.01,536 -0.107,537 0.01,538 -0.091,539 0.049,540 -0.047,541 -0.165,542 0.042,543 -0.044,544 0.074,545 -0.121,546 0.05,547 -0.132,548 0.095,549 -0.06,550 0.065,551 -0.083,552 0.034,553 0.067,554 -0.055,555 -0.182,556 -0.156,557 -0.011,558 -0.213,559 0.164,560 -0.125,561 0.011,562 -0.18,563 0.085,564 -0.135,565 -0.039,566 -0.207,567 0.044,568 -0.209,569 0.045,570 -0.088,571 2.413,572 4.098,573 0.88,574 19.264,575 1.016,576 1.11,577 2.66,578 7.074,579 0.729,580 3.367,581 3.689,582 3.989,583 4.277,584 4.585,585 4.673,586 4.883,587 5.004,588 5.112,589 5.106,590 5.328,591 0.72,592 328.35,593 3.367,594 4.905,595 5.765,596 6.648,597 7.53,598 8.421,599 9.313,600 10.209,601 11.106,602 12.005,603 10.8,610 3,611 1,612 2,613 12,614 3,617 5,618 23,624 1,629 37,630 25,631 1,632 28,633 40,634 19,635 19,636 2,637 4,639 4,640 5,649 19,652 2,654 1,656 2,659 1,660 1,663 12,664 5,666 6,668 4,669 0.75,670 2,672 3,676 4,677 1,687 3,693 25,709 5.4,715 2,716 12.167,717 6.883,718 5.472,719 2.133,720 4.452,721 1.597,722 1.029,723 3.736,724 11.908,725 3.75,726 4.413,727 5.056,728 5.705,729 6.369,730 6.743,731 7.313,732 7.79,733 8.267,734 8.594,735 0.833,736 41,737 9.168,738 3.964,739 7.927,740 17.103,741 13.978,742 2.427,743 60.667,747 141.253,748 131.787,749 56.027,751 50.747,754 131.787,755 192,756 56.027,757 5.67,759 85.286,760 85.67,761 46.501,763 105.94,764 50.747,765 141.253,766 187.814,767 50.747,769 141.253,771 50.747,773 34.8,774 96.987,775 56.027,777 141.253,778 106.774,779 131.787,781 141.253,782 19.358,783 118.099,785 101.104,786 141.253,787 106.774,788 131.787,789 0.578,790 0.34,791 0.189,792 0.111,793 20,794 8,795 0.075,796 3,797 1,798 1.091,799 3.654,800 218.379,801 0.091,802 22,803 114.096,806 15.071,807 6.197,808 2.87,809 1.619,810 101.104,811 21.082,812 13.272,815 2.912,817 379.814,818 41.5,820 -0.413,822 22.195,825 37.596,826 41.073,827 0.306,828 0.548,829 0.786,830 0.958,831 0.99,832 0.99,833 4.954,834 1.273,835 5.74,836 3.138,837 4.369,838 5.1,839 2.501,840 6.558,841 4.321,842 6.183,843 1.118,844 7.298,845 2.935,846 3.892,847 4.89,848 2.361,849 7.469,850 3.829,851 7.499,852 1,853 8.961,854 2.679,855 5.958,856 7.387,857 4.154,858 10.598,859 5.865,860 8.855,861 1,862 10.687,863 2.324,864 6.33,865 8.027,866 4.506,867 12.355,868 6.22,869 10.243,870 0.744,871 12.453,872 2.136,873 7.847,874 9.961,875 5.948,876 14.986,877 7.711,878 11.654,879 -0.243,880 14.247,881 1.931,882 8.616,883 11.017,884 6.556,885 17.089,886 8.459,887 13.085,888 -0.505,889 16.059,890 -0.646,891 9.9,892 12.704,893 7.794,894 19.551,895 9.72,896 3.192,897 -0.688,898 17.885,899 -1.328,900 10.86,901 13.974,902 8.548,903 21.808,904 10.657,905 2.807,906 11.024,907 19.721,908 -1.71,909 12.048,910 15.548,911 9.67,912 24.214,913 11.822,914 2.677,915 8.944,916 21.566,917 4.545,918 13.101,919 16.929,920 10.509,921 26.541,922 12.85,923 2.359,924 8.437,925 23.417,926 3.97,927 14.253,928 18.456,929 11.563,930 28.932,931 13.979,932 1.835,933 7.424,934 25.273,935 3.678,936 15.35,937 19.895,938 12.452,939 31.294,940 15.052,941 1.676,942 4.741,943 27.135,944 3.333,945 16.491,946 21.402,947 13.468,948 33.683,949 16.169,950 1.432,951 4.585,952 29,953 2.724,954 17.612,955 22.872,956 14.386,957 36.062,958 17.266,959 6301,960 11396,961 19.186,962 26.977,963 42.488,964 43.832,965 42.839,966 42.218,967 42.225,968 61.52,969 5.225,970 120.594,971 41.168,972 5.302,973 5.78,974 6.535,975 5.217,976 5.192,977 7.545,978 4.612,979 18.259,980 5.117,981 9.045,982 1.517,983 1.565,984 1.53,985 1.508,986 1.508,987 2.197,988 0.187,989 4.307,990 1.47,991 4.118,992 4.145,993 4.09,994 4.036,995 7.815,996 4.045,997 3.927,998 3.955,999 3.893,1000 3.808,1001 6.999,1002 3.816,1003 3.814,1004 3.855,1005 3.758,1006 3.711,1007 5.068,1008 3.716,1009 3.493,1010 3.519,1011 3.46,1012 3.24,1013 4.871,1014 3.258,1015 3.332,1016 3.381,1017 3.26,1018 3.055,1019 4.67,1020 3.128,1021 3.011,1022 3.058,1023 2.932,1024 2.893,1025 4.428,1026 2.901,1027 2.814,1028 2.878,1029 2.692,1030 2.708,1031 3.959,1032 2.696,1033 2.734,1034 2.815,1035 2.612,1036 2.525,1037 3.808,1038 2.536,1039 0.165,1040 0.135,1041 0.24,1042 0.149,1043 0.114,1044 4.62,1045 0.162,1046 3.78,1047 0.093,1048 6.733,1049 0.394,1050 4.169,1051 0.111,1052 3.192,1053 4.545,1054 2.612,1055 11.024,1056 3.117,1057 2.06,1058 2.036,1059 2.118,1060 2.159,1061 1.234,1062 2.146,1063 1.874,1064 1.848,1065 1.972,1066 2.036,1067 1.049,1068 2,1069 1.785,1070 1.749,1071 1.898,1072 1.915,1073 0.93,1074 1.911,1075 1.339,1076 1.296,1077 1.483,1078 1.651,1079 0.516,1080 1.563,1081 1.19,1082 1.16,1083 1.28,1084 1.466,1085 0.305,1086 1.459,1087 0.999,1088 0.957,1089 1.188,1090 1.142,1091 0.213,1092 1.159,1093 0.829,1094 0.774,1095 1.087,1096 1.004,1097 0.158,1098 1.035,1099 0.693,1100 0.613,1101 0.966,1102 0.935,1104 0.952,1105 4.043,1107 5.361,1109 6.895,1111 8.523,1113 10.202,1128 26.622,1129 59.02,1130 105.691,1131 151.466,1132 184.75,1133 190.75,1134 190.75,1135 36.798,1136 7.456,1137 84.49,1138 84.49,1139 24,1140 12.528,1141 4.7,1142 3.858,1143 35.569,1144 77,1145 80,1146 0.223,1147 163.492,1148 274.12,1149 390.681,1150 16394,1152 17.225,1153 0.689,1154 0.521,1155 17.225,1156 13.034,1157 12.22,1158 0.436,1159 0.273,1160 7.54,1161 11.77,1162 7.405,1163 6.143,1164 12.22,1165 7.632,1166 10.933,1167 0.28,1168 0.141,1169 10.933,1170 5.48,1171 9.318,1172 0.176,1173 0.073,1174 9.318,1175 3.875,1176 7.896,1177 0.111,1178 0.038,1179 7.896,1180 2.715,1181 6.919,1182 0.071,1183 0.02,1184 6.919,1185 1.931,1186 0.336,1187 76.583,1188 0.228,1189 23.679,1190 0.656,1191 134,1192 430.052,1193 145.339,1194 422.353,1195 576.39,1196 392,1197 159,1198 433.759,1199 170.842,1200 437.449,1201 634.09,1202 411,1203 7.092}
{0 CHEMBL351900,1 2.166,2 8.815,3 4.941,4 24.412,5 86.441,6 11.409,7 0.586,8 3.749,9 3.792,10 3.785,11 3.297,12 5.136,13 3.345,14 4.279,15 4.331,16 4.237,17 3.619,18 6.323,19 3.71,20 4.455,21 4.553,22 4.207,23 3.703,24 6.516,25 3.775,26 4.359,27 4.484,28 3.995,29 3.666,30 5.873,31 3.708,32 4.378,33 4.487,34 4.095,35 3.669,36 6.022,37 3.731,38 4.398,39 4.498,40 4.097,41 3.661,42 5.999,43 3.715,44 4.404,45 4.508,46 4.11,47 3.57,48 6.148,49 3.651,50 4.382,51 4.503,52 3.993,53 3.276,54 6.313,55 3.443,56 0.406,57 0.759,58 2.774,59 3.523,60 81.148,61 2.144,62 1.184,63 1.566,64 6.297,65 5.739,66 225.512,67 3.365,68 1.55,69 1.157,70 7.823,71 5.91,72 240.013,73 4.579,74 0.992,75 1.082,76 8.897,77 5.779,78 151.788,79 4.617,80 1.044,81 1.213,82 6.08,83 5.633,84 149.229,85 3.786,86 1.201,87 1.256,88 8.142,89 6.546,90 182.348,91 4.2,92 1.191,93 1.262,94 12.401,95 7,96 188.612,97 5.244,98 1.48,99 1.272,100 13.464,101 6.203,102 229.653,103 4.029,104 56,105 44,106 0.385,107 0.635,108 0.767,109 0.867,110 0.867,111 0.867,112 3.341,113 0.88,114 -3.89,115 -3.85,116 -3.65,117 42.9,125 1,128 7,129 2,130 1,131 1,132 2,133 1,142 2,145 7,147 5,148 7,152 6,155 1,156 13,159 4,162 2,163 13,167 4,170 2,171 10,175 6,178 3,179 7,183 5,186 5,187 11,191 3,194 2,195 7,200 1,202 2,203 4,210 1102,211 17.096,212 17.096,213 17.096,214 17.096,215 17.096,216 14.57,217 10.631,218 9.701,219 17.776,220 14.309,221 14.309,222 14.309,223 14.309,224 14.309,225 10.402,226 9.912,227 4.592,228 15.522,229 2.964,230 1.554,231 0.812,232 0.25,233 0.25,234 0.25,235 4.012,238 1,239 1,240 492,241 4.359,244 213.221,245 117.863,246 1.317,247 65.124,250 1,251 1,252 1,253 0.4,255 1,256 1,257 0.77,258 65,259 238,260 5,261 5.697,262 8.104,263 4.515,264 3.691,265 4.704,266 6.006,267 14.439,268 3.118,269 4.598,270 3.8,271 6.718,272 4.138,273 3.166,274 4.518,275 2.612,276 10.965,277 3.044,278 4.253,279 3.78,280 5.994,281 3.745,282 2.771,283 3.966,284 1.914,285 8.517,286 2.697,287 3.819,288 3.152,289 5.682,290 3.349,291 2.374,292 3.333,294 7.474,295 2.32,296 3.628,297 2.548,298 5.539,299 3.198,300 2.317,301 3.012,303 7.246,304 2.02,305 3.298,306 2.361,307 5.008,308 2.787,309 1.91,310 2.588,312 5.847,313 1.647,314 3.243,315 1.988,316 4.653,317 2.659,318 1.676,319 2.374,320 4.667,321 1.6,322 2.891,323 1.483,324 3.867,325 2.363,326 1.399,327 2.076,328 3.11,329 1.345,330 2.813,331 1.44,332 3.652,333 2.256,334 1.267,335 1.924,336 2.933,337 1.25,338 2.587,339 1.249,340 3.556,341 2,342 1,343 1.586,344 2.325,345 1,346 2.28,347 1.157,348 3.435,349 1.746,350 0.795,351 1.173,352 2.099,353 0.754,354 1.345,355 1,356 3.305,357 0.907,358 -0.031,359 -0.041,360 -0.088,361 -0.029,362 1.003,363 0.793,364 2.798,365 0.554,366 -0.406,367 -0.548,368 -1.16,369 -0.389,370 1,371 0.51,372 2.732,373 0.314,374 -0.659,375 -0.961,376 -1.709,377 -0.639,378 1,379 0.51,380 2.372,381 0.247,382 -0.731,383 -1,384 -1.946,385 -0.7,386 12.057,387 0.447,388 1.09,389 0.04,390 40.5,391 1.5,392 22.5,393 0.833,394 18,395 0.667,396 17.02,397 0.63,398 29.943,399 0.856,400 35.807,401 1.326,402 8.096,403 0.3,404 4.486,405 0.166,406 0.182,407 0.111,408 0.282,409 3,410 0.525,411 0.941,412 0.672,413 1.229,414 0.665,415 0.87,416 0.402,417 0.816,418 0.538,419 1.074,420 0.475,421 0.949,422 0.38,423 0.723,424 0.591,425 0.75,426 0.324,427 0.938,428 0.688,429 0.735,430 0.862,431 0.894,432 0.618,433 1.015,434 0.821,435 0.681,436 0.843,437 0.82,438 0.746,439 0.949,440 1.059,441 0.976,442 1.163,443 1.094,444 0.955,445 1.141,446 0.991,447 1.133,448 1.18,449 1.302,450 0.971,451 1.164,452 1.448,453 1.27,454 1.29,455 1.212,456 1.476,457 1.131,458 8,459 0.136,460 4.222,461 2,462 1.769,463 1.028,464 1.018,465 0.845,466 0.465,467 0.324,468 7333,469 38657,470 1.954,471 22.9,473 7,475 1,480 1.708,481 1.761,482 3.15,483 -0.549,487 75.802,488 2.166,489 3.575,490 4.318,491 4.879,492 4.879,493 4.879,494 2.52,495 4.18,496 4.728,497 3.31,498 1161.83,499 8.248,500 14566.8,502 1,505 179.525,506 1.816,507 4.629,508 0.276,509 0.011,510 0.096,511 0.043,512 0.044,513 0.024,514 0.025,515 0.021,516 0.014,517 0.017,518 0.573,519 0.33,520 1,521 1.311,522 131.08,523 0.086,524 -0.051,525 0.178,526 -0.127,527 -0.095,528 -0.021,529 0.46,530 0.184,531 0.244,532 -0.092,533 0.337,534 -0.131,535 0.462,536 0.142,537 0.178,538 0.093,539 0.445,540 -0.002,541 -0.047,542 -0.08,543 0.004,544 -0.027,545 -0.007,546 0.025,547 -0.079,548 0.103,549 -0.032,550 0.053,551 -0.054,552 -0.009,553 -0.215,554 -0.09,555 -0.182,556 -0.081,557 -0.165,558 -0.149,559 -0.104,560 -0.277,561 -0.043,562 -0.233,563 -0.078,564 -0.098,565 -0.27,566 -0.214,567 -0.125,568 -0.191,569 -0.247,570 -0.079,571 6.885,572 4.57,573 0.593,574 21.956,575 1.088,576 1.147,577 2.664,578 7.096,579 0.708,580 3.401,581 3.807,582 4.025,583 4.205,584 4.5,585 4.605,586 4.836,587 4.97,588 5.024,589 4.963,590 5.67,591 0.745,592 399.33,593 3.401,594 4.99,595 5.844,596 6.749,597 7.631,598 8.534,599 9.427,600 10.33,601 11.228,602 12.131,603 8.6,610 2,611 1,612 2,613 8,614 2,617 4,618 17,624 1,629 35,630 21,631 1,632 29,633 37,634 15,635 14,636 2,637 4,639 3,640 4,649 14,650 1,652 4,654 1,655 1,656 4,661 3,663 8,664 10,666 12,667 1,668 3,669 0.667,670 5,672 2,676 3,677 1,687 2,689 1,692 3,693 27,695 1,699 1,703 1,708 3,709 14.3,712 2,714 1,715 2,716 15.333,717 6.445,718 5.632,719 1.822,720 3.697,721 1.506,722 0.989,723 4.664,724 10.998,725 3.75,726 4.454,727 4.985,728 5.555,729 6.203,730 6.59,731 7.136,732 7.587,733 7.982,734 8.223,735 0.833,736 46,737 8.771,738 4.994,739 8.895,740 17.212,741 14.111,742 3.395,743 91.667,747 94.169,748 107.486,749 39.241,751 103.605,752 44.88,753 7.75,754 99.737,755 197.774,756 84.121,757 5.67,759 74.084,760 89.655,761 75.889,762 4.815,763 82.398,764 56.872,765 94.169,766 138.978,767 148.486,768 7.75,769 94.169,770 52.858,771 95.627,772 6.125,773 13.948,774 79.664,775 46.991,777 139.049,778 142.846,779 107.486,780 7.75,781 100.293,782 18.231,783 81.051,785 182.057,786 94.169,787 187.727,788 107.486,789 0.611,790 0.347,791 0.156,792 0.091,793 22,794 11,795 0.108,796 4,797 1,798 1.125,799 3.59,800 237.53,801 0.125,802 16,803 119.627,805 1,806 18.869,807 6.674,808 3.785,809 0.441,810 182.057,811 10.422,812 7.843,815 -1.033,817 389.382,818 41.5,820 -0.659,821 -5.931,822 44.42,825 38.091,826 40.142,827 0.422,828 0.697,829 0.842,830 0.951,831 0.951,832 0.951,833 5.019,834 1.399,835 5.932,836 4.667,837 4.489,838 5.142,839 4.314,840 6.858,841 4.343,842 6.318,843 1.267,844 7.59,845 3.11,846 4.511,847 5.373,848 5.026,849 8.299,850 4.186,851 7.708,852 1,853 9.377,854 2.933,855 6.286,856 7.544,857 7.44,858 11.344,859 5.952,860 9.14,861 0.795,862 11.244,863 2.325,864 7.066,865 8.517,866 8.793,867 13.582,868 6.524,869 10.605,870 -0.031,871 13.166,872 2.099,873 8.467,874 10.275,875 10.877,876 16.317,877 7.882,878 12.095,879 -0.406,880 15.127,881 -0.088,882 9.549,883 11.559,884 12.465,885 18.833,886 8.761,887 13.605,888 -0.659,889 17.117,890 -1.16,891 10.847,892 13.17,893 14.4,894 21.503,895 9.967,896 3.691,897 -0.731,898 19.13,899 -1.709,900 12.049,901 14.588,902 16.093,903 24.114,904 10.98,905 3.166,906 14.439,907 21.16,908 -1.946,909 13.325,910 16.144,911 17.956,912 26.773,913 12.128,914 2.771,915 10.965,916 23.204,917 4.704,918 14.577,919 17.622,920 19.7,921 29.418,922 13.199,923 2.374,924 8.517,925 25.258,926 4.518,927 15.854,928 19.159,929 21.527,930 32.079,931 14.327,932 2.317,933 7.474,934 27.321,935 3.966,936 17.128,937 20.664,938 23.296,939 34.737,940 15.425,941 1.91,942 7.246,943 29.389,944 3.333,945 18.412,946 22.194,947 25.105,948 37.401,949 16.546,950 1.676,951 5.847,952 31.463,953 3.012,954 19.696,955 23.713,956 26.886,957 40.065,958 17.657,959 7393,960 17226,961 18.087,962 24.795,963 45.337,964 46.874,965 46.201,966 44.955,967 44.731,968 62.509,969 21.065,970 139.245,971 41.59,972 5.846,973 7.697,974 7.786,975 5.596,976 5.691,977 7.704,978 10.217,979 22.672,980 5.118,981 17.449,982 1.563,983 1.616,984 1.593,985 1.55,986 1.542,987 2.155,988 0.726,989 4.802,990 1.434,991 4.117,992 4.134,993 4.739,994 4.026,995 8.518,996 4.028,997 3.953,998 3.948,999 4.062,1000 3.862,1001 7.999,1002 3.805,1003 3.894,1004 3.857,1005 3.879,1006 3.782,1007 7.999,1008 3.726,1009 3.495,1010 3.52,1011 3.462,1012 3.242,1013 7.815,1014 3.262,1015 3.349,1016 3.39,1017 3.295,1018 3.047,1019 7.707,1020 3.124,1021 3.011,1022 3.056,1023 3.071,1024 2.879,1025 6.999,1026 2.887,1027 2.907,1028 2.916,1029 2.921,1030 2.525,1031 6.999,1032 2.54,1033 2.707,1034 2.777,1035 2.579,1036 2.473,1037 5.064,1038 2.53,1039 0.172,1040 0.196,1041 0.279,1042 0.156,1043 0.127,1044 5,1045 0.162,1046 5.697,1047 0.207,1048 8.104,1049 0.498,1050 4.515,1051 0.108,1052 3.691,1053 4.704,1054 6.006,1055 14.439,1056 3.118,1057 2.042,1058 2.021,1059 2.099,1060 2.151,1061 1.213,1062 2.135,1063 1.857,1064 1.834,1065 1.953,1066 2.026,1067 1.028,1068 1.989,1069 1.611,1070 1.695,1071 1.498,1072 1.818,1073 0.656,1074 1.828,1075 1.33,1076 1.295,1077 1.279,1078 1.651,1079 0.493,1080 1.563,1081 1.184,1082 1.155,1083 1.184,1084 1.477,1085 0.275,1086 1.456,1087 0.985,1088 0.942,1089 1.08,1090 1.142,1091 0.213,1092 1.152,1093 0.677,1094 0.61,1095 0.929,1096 1.002,1098 0.933,1099 0.571,1100 0.541,1101 0.77,1102 0.908,1104 0.868,1105 4.078,1107 5.46,1109 7.033,1111 8.689,1113 10.388,1116 37.711,1121 4.089,1125 -5.635,1128 26.082,1129 75.802,1130 125.119,1131 151.119,1132 170.77,1133 170.77,1134 170.77,1135 74.339,1136 7.3,1137 114.97,1138 123.35,1139 18,1140 12.652,1141 4.459,1142 3.755,1143 46.564,1144 90,1145 85,1146 0.255,1147 161.218,1148 288.19,1149 385.133,1150 13085,1151 8.6,1152 19.82,1153 0.734,1154 0.513,1155 17.57,1156 13.86,1157 12.582,1158 0.434,1159 0.293,1160 7.016,1161 10.991,1162 6.867,1163 5.633,1164 12.259,1165 8.505,1166 12.978,1167 0.295,1168 0.153,1169 12.788,1170 6.713,1171 9.892,1172 0.18,1173 0.079,1174 8.415,1175 4.33,1176 7.174,1177 0.109,1178 0.04,1179 7.529,1180 2.636,1181 6.204,1182 0.07,1183 0.021,1184 6.206,1185 1.847,1186 0.386,1187 90.285,1188 0.235,1189 25.241,1190 0.743,1191 146,1192 788.807,1193 227.866,1194 686.026,1195 878.38,1196 622,1197 172,1198 590.67,1199 250.344,1200 606.918,1201 909.01,1202 563,1203 6.509}
{0 CHEMBL351915,1 1.644,2 7.158,3 2.707,4 7.328,5 69.911,6 8.974,7 0.81,8 3.477,9 3.568,10 3.207,11 3.096,12 4.793,13 3.102,14 3.911,15 4.019,16 3.536,17 3.456,18 5.352,19 3.454,20 4.12,21 4.284,22 3.587,23 3.541,24 5.378,25 3.524,26 4.121,27 4.292,28 3.476,29 3.431,30 5.417,31 3.418,32 3.995,33 4.166,34 3.36,35 3.328,36 5.294,37 3.311,38 3.906,39 4.089,40 3.172,41 3.178,42 5.24,43 3.13,44 3.743,45 3.95,46 2.972,47 2.89,48 5.132,49 2.856,50 3.424,51 3.631,52 2.524,53 2.371,54 4.918,55 2.38,56 0.122,57 0.409,58 3.424,59 2.124,60 2.311,61 2.335,62 0.189,63 0.626,64 5.875,65 3.413,66 35.362,67 3.628,68 0.189,69 0.778,70 9.366,71 4.45,72 15.365,73 5.13,74 0.276,75 0.748,76 10.535,77 4.366,78 40.569,79 4.585,80 0.24,81 0.675,82 8.852,83 3.728,84 28.34,85 3.907,86 0.273,87 0.594,88 8.641,89 3.709,90 33.558,91 4.287,92 0.224,93 0.478,94 8.476,95 3.332,96 25.734,97 4.175,98 0.18,99 0.317,100 6.814,101 2.384,102 19.329,103 2.543,104 6,105 29,106 0.308,107 0.538,108 0.729,109 0.874,110 0.887,111 0.887,112 3.012,113 0.814,114 -3.4,115 -3.38,116 -3.23,117 50,128 7,129 2,130 1,131 2,132 2,142 2,145 7,147 1,148 6,152 6,155 1,156 12,159 4,163 9,167 4,170 1,171 5,175 6,178 3,179 2,183 5,186 2,187 4,191 3,195 5,200 1,203 2,210 402,211 12.983,212 12.983,213 12.983,214 12.983,215 12.983,216 10.731,217 4.953,218 7.736,219 13.158,220 10.377,221 10.377,222 10.377,223 10.377,224 10.377,225 7.088,226 5.143,227 3.636,228 10.644,229 3.164,230 1.935,231 0.916,232 0.143,233 0.071,234 0.071,235 3.693,238 1,239 1,240 292,241 2.345,244 133.963,245 70.242,246 1.025,247 20.455,250 1,251 1,252 1,253 0.4,255 1,256 1,257 0.77,258 41.5,259 136,260 4.571,261 3.78,262 6.695,263 4.114,264 3.136,265 4.492,266 2.612,267 10.856,268 3.067,269 4.248,270 3.121,271 5.989,272 3.735,273 2.761,274 3.963,276 8.485,277 2.69,278 3.818,279 2.524,280 5.669,281 3.343,282 2.36,283 3.333,285 7.395,286 2.316,287 3.249,288 1.991,289 4.644,290 2.661,291 1.678,292 2.595,294 4.63,295 1.648,296 3.118,297 1.618,298 4.072,299 2.571,300 1.618,301 2.427,303 3.664,304 1.54,305 2.82,306 1.463,307 3.724,308 2.278,309 1.292,310 1.95,312 2.938,313 1.274,314 2.736,315 1.26,316 3.575,317 2.177,318 1.212,319 1.836,320 2.742,321 1.166,322 2.584,323 1.145,324 3.436,325 2,326 1,327 1.584,328 2.323,329 1,330 2.205,331 1,332 3.248,333 1.675,334 0.711,335 1.06,336 1.717,337 0.684,338 1.106,339 0.713,340 2.54,341 0.639,342 -0.332,343 -0.463,344 -0.832,345 -0.321,346 1,347 -0.325,348 2.273,349 0.345,350 -0.618,351 -0.927,352 -1.478,353 -0.594,354 0.882,355 -0.492,356 2,357 0.269,358 -0.712,359 -1.029,360 -1.728,361 -0.698,362 0.76,363 -0.618,364 2,365 0.14,366 -0.848,367 -1.229,368 -2,369 -0.836,370 0.625,371 -0.825,372 1.823,374 -1,375 -1.61,376 -2.28,377 -1,378 0.419,379 -1.076,380 1.53,381 -0.098,382 -1.078,383 -2,384 -2.723,385 -1.054,386 8.867,387 0.467,388 0.418,389 0.022,390 31.25,391 1.645,392 19,393 1,394 12.25,395 0.645,396 9,397 0.474,398 18.733,399 0.669,400 20.179,401 1.062,402 6.284,403 0.331,404 2.97,405 0.156,406 0.075,408 0.327,410 0.313,411 0.995,412 0.575,413 0.824,414 0.478,415 0.783,416 0.53,417 1.131,418 0.768,419 0.995,420 0.41,421 0.945,422 0.662,423 1.069,424 0.835,425 1.016,426 0.497,427 0.97,428 1.172,429 1.091,430 1.07,431 0.979,432 1.09,433 0.989,434 1.066,435 0.949,436 1.105,437 0.973,438 0.955,439 1.015,440 0.797,441 0.954,442 1.126,443 1.115,444 0.903,445 1.19,446 0.778,447 1.038,448 0.91,449 1.162,450 0.866,451 1.096,452 1.782,453 0.978,454 1.182,455 1.166,456 1.83,457 1.064,458 3,460 2.222,461 1.188,462 0.818,463 0.465,464 0.304,465 0.2,466 0.094,467 0.031,468 3045,469 10401,470 2.113,471 32.1,473 7,475 2,480 1.607,481 2,482 2.894,483 -0.724,485 1,486 1,487 46.019,488 1.644,489 2.872,490 3.891,491 4.664,492 4.736,493 4.736,494 2.249,495 3.827,496 4.224,497 2.968,498 507.511,499 7.213,500 4875.97,501 1,502 1,504 1,505 134.606,506 1.324,507 4.189,508 0.143,510 0.077,511 0.04,512 0.031,513 0.02,514 0.017,515 0.014,516 0.012,517 0.016,518 0.369,519 0.67,520 1,521 0.789,522 80.709,523 0.278,524 0.04,525 0.063,526 0.059,527 -0.004,528 0.008,529 0.136,530 -0.13,531 -0.059,532 -0.091,533 0.201,534 -0.111,535 -0.001,536 -0.073,537 0.034,538 -0.077,539 0.059,540 -0.025,541 -0.215,542 -0.111,543 -0.11,544 -0.027,545 -0.147,546 -0.037,547 -0.17,548 0.067,549 -0.177,550 -0.041,551 -0.125,552 -0.086,553 0.124,554 0.004,555 -0.126,556 -0.141,557 -0.009,558 -0.193,559 0.246,560 -0.134,561 0.231,562 -0.14,563 0.174,564 -0.003,565 -0.229,566 -0.124,567 0.095,568 -0.117,569 -0.069,570 0.038,571 2.415,572 3.818,573 0.842,574 10.798,575 1.022,576 1.113,577 2.167,578 4.696,579 0.722,580 3.091,581 3.401,582 3.689,583 3.951,584 4.205,585 4.19,586 4.317,587 4.344,588 4.369,589 4.22,590 4.463,591 0.717,592 251.26,593 3.091,594 4.615,595 5.468,596 6.344,597 7.217,598 8.099,599 8.979,600 9.863,601 10.746,602 11.63,603 10.7,610 2,611 1,612 2,613 9,614 2,617 3,618 17,624 1,629 28,630 19,631 1,632 21,633 30,634 14,635 14,636 2,637 4,639 3,640 4,649 14,652 2,654 1,656 2,660 1,663 9,664 4,666 5,668 3,669 0.667,670 2,672 2,676 3,677 1,687 2,693 19,709 7.1,715 2,716 9.5,717 5.183,718 4.194,719 1.593,720 3.672,721 1.551,722 1.009,723 2.749,724 10.333,725 3.481,726 4.143,727 4.777,728 5.411,729 6.036,730 6.327,731 6.821,732 7.213,733 7.619,734 7.782,735 0.8,736 30,737 6.952,738 2.986,739 8.044,740 12.855,741 10.38,742 2.544,743 48.333,747 105.94,748 97.845,749 39.241,751 50.747,754 97.845,755 156.687,756 39.241,757 5.67,759 66.334,760 57.113,761 31.511,763 82.398,764 50.747,765 105.94,766 137.086,767 50.747,769 105.94,771 50.747,773 22.996,774 74.849,775 39.241,777 105.94,778 89.988,779 97.845,781 105.94,782 13.416,783 90.099,785 84.318,786 105.94,787 89.988,788 97.845,789 0.577,790 0.343,791 0.189,792 0.107,793 15,794 6,795 0.067,796 2,797 1,798 1.125,799 3.114,800 143.454,801 0.125,802 16,803 78.711,806 11.454,807 4.56,808 2.075,809 1.699,810 84.318,811 15.426,812 8.592,815 1.396,817 293.773,818 31.5,820 -0.415,822 21.635,825 28.611,826 31.159,827 0.342,828 0.597,829 0.809,830 0.97,831 0.985,832 0.985,833 4.675,834 1,835 5.442,836 2.742,837 4.078,838 4.828,839 2.501,840 6.256,841 4.03,842 5.906,843 0.711,844 7,845 2.323,846 3.611,847 4.663,848 2.361,849 7.186,850 3.544,851 7.225,852 -0.332,853 8.665,854 1.717,855 5.659,856 7.133,857 4.154,858 10.303,859 5.566,860 8.585,861 -0.618,862 10.395,863 -0.832,864 6.043,865 7.819,866 4.506,867 12.088,868 5.927,869 9.977,870 -0.712,871 12.166,872 -1.478,873 7.55,874 9.733,875 5.948,876 14.712,877 7.412,878 11.394,879 -0.848,880 13.965,881 -1.728,882 8.33,883 10.827,884 6.556,885 16.836,886 8.168,887 12.829,888 -1,889 15.782,890 -2,891 9.608,892 12.5,893 7.794,894 19.296,895 9.425,896 3.136,897 -1.078,898 17.614,899 -2.28,900 10.573,901 13.794,902 8.548,903 21.563,904 10.365,905 2.761,906 10.856,907 19.456,908 -2.723,909 11.756,910 15.36,911 9.67,912 23.968,913 11.527,914 2.36,915 8.485,916 21.307,917 4.492,918 12.807,919 16.752,920 10.509,921 26.297,922 12.555,923 1.678,924 7.395,925 23.164,926 3.963,927 13.953,928 18.272,929 11.563,930 28.685,931 13.679,932 1.618,933 4.63,934 25.026,935 3.333,936 15.045,937 19.713,938 12.452,939 31.042,940 14.748,941 1.292,942 3.664,943 26.893,944 2.595,945 16.179,946 21.214,947 13.468,948 33.425,949 15.86,950 1.212,951 2.938,952 28.764,953 2.427,954 17.291,955 22.68,956 14.386,957 35.796,958 16.95,959 2995,960 5644,961 14.216,962 20.21,963 31.697,964 33.039,965 32.39,966 31.539,967 31.537,968 46.48,969 5.225,970 89.502,971 30.768,972 5.219,973 5.78,974 6.384,975 5.158,976 5.136,977 7.492,978 4.612,979 18.04,980 5.067,981 7.407,982 1.509,983 1.573,984 1.542,985 1.502,986 1.502,987 2.213,988 0.249,989 4.262,990 1.465,991 4.096,992 4.125,993 4.065,994 4.01,995 7.815,996 4.019,997 3.914,998 3.942,999 3.879,1000 3.789,1001 6.999,1002 3.797,1003 3.496,1004 3.525,1005 3.462,1006 3.26,1007 5.057,1008 3.275,1009 3.363,1010 3.415,1011 3.277,1012 3.054,1013 4.672,1014 3.13,1015 3.005,1016 3.055,1017 2.921,1018 2.883,1019 4.49,1020 2.889,1021 2.709,1022 2.782,1023 2.576,1024 2.525,1025 3.959,1026 2.535,1027 2.612,1028 2.673,1029 2.495,1030 2.474,1031 3.609,1032 2.47,1033 2.566,1034 2.627,1035 2.445,1036 2.318,1037 3.526,1038 2.366,1039 0.218,1040 0.18,1041 0.319,1042 0.196,1043 0.149,1044 4.571,1045 0.214,1046 3.78,1047 0.124,1048 6.695,1049 0.517,1050 4.114,1051 0.146,1052 3.136,1053 4.492,1054 2.612,1055 10.856,1056 3.067,1057 2.042,1058 2.018,1059 2.108,1060 2.149,1061 1.211,1062 2.135,1063 1.857,1064 1.83,1065 1.956,1066 2.024,1067 1.028,1068 1.987,1069 1.372,1070 1.322,1071 1.542,1072 1.654,1073 0.534,1074 1.578,1075 1.194,1076 1.164,1077 1.281,1078 1.517,1079 0.295,1080 1.501,1081 0.993,1082 0.948,1083 1.187,1084 1.142,1085 0.213,1086 1.158,1087 0.679,1088 0.611,1089 0.947,1090 0.915,1092 0.935,1093 0.603,1094 0.545,1095 0.839,1096 0.811,1098 0.835,1099 0.503,1100 0.452,1101 0.763,1102 0.754,1104 0.778,1105 3.761,1107 5.069,1109 6.597,1111 8.223,1113 9.899,1128 20.074,1129 46.019,1130 80.425,1131 108.954,1132 130.606,1133 132.606,1134 132.606,1135 26.812,1136 6.661,1137 71.6,1138 71.6,1139 18,1140 12.163,1141 4.322,1142 3.524,1143 27.641,1144 50,1145 45,1146 0.278,1147 124.912,1148 207.8,1149 296.545,1150 6059,1152 13.242,1153 0.697,1154 0.519,1155 13.242,1156 9.854,1157 9.254,1158 0.441,1159 0.271,1160 5.625,1161 8.87,1162 5.531,1163 4.592,1164 9.254,1165 5.701,1166 8.234,1167 0.284,1168 0.139,1169 8.234,1170 4.042,1171 6.934,1172 0.178,1173 0.073,1174 6.934,1175 2.851,1176 5.835,1177 0.114,1178 0.039,1179 5.835,1180 1.981,1181 4.967,1182 0.075,1183 0.021,1184 4.967,1185 1.358,1186 0.415,1187 58.331,1188 0.265,1189 18.562,1190 0.824,1191 100,1192 342.406,1193 109.618,1194 333.487,1195 449.23,1196 308,1197 118,1198 335.294,1199 127.843,1200 335.712,1201 484.74,1202 315,1203 5.056}
{0 CHEMBL418785,1 1.439,2 11.583,3 5.906,4 34.875,5 135.546,6 6.843,7 0.425,8 4.367,9 4.475,10 3.865,11 3.873,12 5.361,13 3.847,14 4.919,15 5.096,16 4.118,17 4.194,18 5.86,19 4.138,20 5.112,21 5.328,22 4.239,23 4.285,24 6.067,25 4.229,26 5.081,27 5.285,28 4.267,29 4.331,30 6.039,31 4.277,32 5.122,33 5.301,34 4.379,35 4.453,36 6.114,37 4.394,38 5.253,39 5.433,40 4.418,41 4.539,42 6.243,43 4.467,44 5.363,45 5.577,46 4.43,47 4.551,48 6.295,49 4.473,50 5.358,51 5.552,52 4.343,53 4.551,54 6.272,55 4.455,56 0.029,57 0.975,58 16.661,59 7.411,60 9.562,61 9.6,62 0.3,63 1.518,64 31.171,65 11.626,66 33.994,67 15.536,68 0.627,69 1.762,70 39.108,71 13.051,72 55.167,73 18.205,74 0.551,75 1.787,76 37.347,77 12.904,78 47.863,79 17.931,80 0.468,81 1.941,82 37.801,83 14.364,84 45.705,85 19.682,86 0.461,87 2.185,88 43.259,89 16.084,90 57.091,91 22.091,92 0.6,93 2.299,94 49.632,95 17.433,96 63.339,97 24.198,98 0.787,99 2.268,100 49.524,101 17.545,102 64.27,103 23.815,104 27,105 55,106 0.225,107 0.5,108 0.715,109 0.804,110 0.804,111 0.804,112 3.616,113 0.99,114 -4.44,115 -4.37,116 -4.12,117 40.3,118 1,119 7,120 2,122 1,123 4,128 5,129 2,130 4,132 2,134 1,145 12,147 1,148 14,152 7,155 1,156 15,157 1,159 6,162 2,163 7,167 10,170 4,171 8,174 1,175 19,178 1,179 8,181 1,182 1,183 13,186 2,187 15,189 1,190 1,191 14,194 2,195 9,200 11,202 2,203 7,205 1,207 2,208 13,210 2746,211 25.091,212 25.091,213 25.091,214 25.091,215 25.091,216 23.225,217 22.416,218 15.154,219 25.787,220 19.705,221 19.705,222 19.705,223 19.705,224 19.705,225 16.554,226 23.024,227 7.138,228 20.768,229 4.731,230 2.971,231 1.596,232 1.021,233 1.021,234 1.021,235 4.311,239 1,240 908,241 4.062,242 132.222,244 305.533,245 164.366,246 1.806,247 34.182,250 1,251 0.67,252 0.83,253 1,254 1,255 0.83,256 0.5,257 0.83,258 78,259 417,260 4.649,261 3.324,262 6.752,263 4.194,264 3.221,265 4.588,266 0.86,267 11.116,268 3.135,269 4.233,270 3.131,271 6.161,272 3.822,273 2.866,274 3.885,275 0.86,276 9.154,277 2.739,278 4.002,279 2.956,280 5.827,281 3.658,282 2.693,283 3.522,284 0.86,285 8.22,286 2.635,287 3.679,288 2.823,289 5.521,290 3.654,291 2.667,292 3.015,293 0.86,294 7.425,295 2.627,296 3.673,297 2.654,298 5.504,299 3.552,300 2.59,301 2.848,303 7.409,304 2.453,305 3.596,306 2.501,307 5.395,308 3.246,309 2.29,310 2.733,312 6.968,313 2.184,314 3.486,315 2.428,316 5.287,317 3.073,318 2.116,319 2.643,320 6.648,321 2.016,322 3.331,323 2.31,324 4.991,325 2.973,326 2.057,327 2.523,328 5.973,329 1.871,330 3.09,331 2.245,332 4.729,333 2.697,334 1.776,335 2.305,336 5.037,337 1.635,338 2.679,339 1.735,340 4.276,341 2.398,342 1.456,343 1.718,344 3.707,345 1.388,346 2.482,347 1.484,348 3.638,349 2.386,350 1.412,351 1.481,352 2.722,353 1.338,354 2.369,355 1.423,356 3.417,357 2.057,358 1.14,359 1.351,360 2.448,361 1.038,362 1.941,363 1.248,364 3.348,365 1.769,366 0.862,367 0.913,368 2.017,369 0.772,370 1.898,371 1.161,372 3.307,373 1.711,374 0.79,375 0.853,376 1.872,377 0.718,378 1.842,379 0.988,380 3.165,381 1.542,382 0.625,383 0.737,384 1.287,385 0.567,386 16.967,387 0.471,388 0.683,389 0.019,390 41.25,391 1.146,392 18,393 0.5,394 23.25,395 0.646,396 38.137,397 1.059,398 40.633,399 0.564,400 32.802,401 0.911,402 7.275,403 0.202,404 10.386,405 0.288,406 0.079,408 0.324,410 0.879,411 1.327,412 0.856,413 1.226,414 0.888,415 1.066,416 1.229,417 1.166,418 1.002,419 1.091,420 0.972,421 1.026,422 1.146,423 0.965,424 0.853,425 0.841,426 0.924,427 0.801,428 1.112,429 0.942,430 0.892,431 0.835,432 0.856,433 0.821,434 0.876,435 1.091,436 0.921,437 1.026,438 0.756,439 0.986,440 0.986,441 1.243,442 1.09,443 1.205,444 0.965,445 1.161,446 1.063,447 1.039,448 0.989,449 1.038,450 0.926,451 1,452 1.305,453 1.16,454 1.241,455 1.143,456 1.23,457 1.177,458 7,459 0.206,460 3,461 1.882,462 2.252,463 1.223,464 1.001,465 0.714,466 0.46,467 0.379,468 18502,469 40436,470 2.137,471 50,472 15,473 16,476 1,477 2,478 2,480 1.785,481 2.038,482 3.471,483 -0.41,487 103.626,488 1.439,489 3.199,490 4.574,491 5.149,492 5.149,493 5.149,494 2.931,495 4.593,496 5.133,497 3.675,498 2314.97,499 9.092,500 36540.9,505 444.235,506 1.256,507 5.118,508 0.175,509 0.004,510 0.061,511 0.034,512 0.039,513 0.019,514 0.015,515 0.011,516 0.008,517 0.007,518 0.374,519 0.17,520 0.63,521 1.204,522 193.777,523 -0.02,524 -0.118,525 0.07,526 -0.059,527 -0.024,528 0.009,529 -0.092,530 -0.091,531 -0.012,532 -0.046,533 0.008,534 -0.025,535 0.051,536 0.062,537 0.163,538 0.138,539 0.081,540 0.166,541 -0.009,542 0.139,543 0.107,544 0.166,545 -0.01,546 0.158,547 0.064,548 0.036,549 0.043,550 0.028,551 0.06,552 0.027,553 -0.01,554 -0.121,555 -0.121,556 -0.162,557 -0.025,558 -0.157,559 -0.004,560 0.013,561 0.003,562 -0.04,563 0.019,564 -0.018,565 -0.096,566 -0.117,567 -0.238,568 -0.129,569 -0.179,570 -0.196,571 1.574,572 3.239,573 0.611,574 44.515,575 0.998,576 1.126,577 3.207,578 10.283,579 0.642,580 3.714,581 4.025,582 4.234,583 4.522,584 4.844,585 5.043,586 5.263,587 5.451,588 5.613,589 5.68,590 7.182,591 0.605,592 492.67,593 3.714,594 5.252,595 6.107,596 6.989,597 7.868,598 8.762,599 9.652,600 10.552,601 11.449,602 12.352,603 2.8,610 2,612 2,613 5,614 2,617 7,618 17,627 4,629 72,630 17,631 2,632 40,633 76,634 29,635 14,636 7,637 5,639 5,640 6,642 2,645 4,646 2,647 7,649 14,650 15,651 2,663 36,664 7,665 1,666 7,668 2,669 0.8,670 5,671 1,673 1,674 2,676 3,677 1,685 1,687 4,690 2,693 36,696 1,697 11,699 4,701 2,709 6.9,710 1,714 4,716 17.667,717 13.35,718 8.111,719 4.842,720 3.5,721 1.427,722 0.95,723 8.253,724 11.691,725 3.902,726 4.477,727 5.045,728 5.694,729 6.369,730 6.823,731 7.332,732 7.803,733 8.249,734 8.512,735 0.875,736 55,737 13.399,738 5.678,739 7.56,740 26.336,741 22.129,742 2.06,743 74.167,747 411.989,748 132.569,749 33.571,751 86.683,754 132.569,755 498.671,756 33.571,757 19.708,758 31.519,759 90.065,760 33.571,761 77.961,763 411.989,765 411.989,766 166.14,767 86.683,769 390.774,770 67.542,771 42.683,773 45.245,774 84.997,775 33.571,777 411.989,778 120.254,779 132.569,781 411.989,782 65.48,783 67.089,785 120.254,786 411.989,787 120.254,788 132.569,789 0.566,790 0.302,791 0.166,792 0.102,793 26,794 11,795 0.184,796 14,797 1,798 1.091,799 4.654,800 354.88,801 0.091,802 22,803 168.117,806 25.256,807 11.764,808 7.099,809 1.653,810 120.254,811 9.906,812 9.866,815 5.302,816 42.683,817 664.812,818 48.5,825 71.861,826 81.102,827 0.233,828 0.518,829 0.741,830 0.835,831 0.835,832 0.835,833 5.149,834 2.057,835 6.075,836 6.648,837 4.71,838 5.165,839 1.934,840 6.878,841 4.615,842 6.346,843 1.776,844 7.625,845 5.973,846 4.369,847 5.075,849 7.811,850 4.275,851 7.656,852 1.456,853 9.273,854 5.037,855 6.319,856 7.375,857 1.682,858 10.852,859 6.158,860 9,861 1.412,862 10.978,863 3.707,864 6.735,865 8.082,867 12.558,868 6.572,869 10.375,870 1.14,871 12.719,872 2.722,873 8.185,874 9.918,875 1.444,876 15.16,877 7.971,878 11.771,879 0.862,880 14.484,881 2.448,882 8.955,883 11.019,885 17.224,886 8.732,887 13.186,888 0.79,889 16.267,890 2.017,891 10.203,892 12.663,893 1.222,894 19.678,895 9.941,896 3.221,897 0.625,898 18.066,899 1.872,900 11.152,901 13.971,903 21.918,904 10.874,905 2.866,906 11.116,907 19.877,908 1.287,909 12.32,910 15.533,911 1.019,912 24.325,913 12.009,914 2.693,915 9.154,916 21.699,917 4.588,918 13.361,919 16.945,921 26.65,922 13.029,923 2.667,924 8.22,925 23.531,926 3.885,927 14.5,928 18.474,929 0.837,930 29.046,931 14.14,932 2.59,933 7.425,934 25.372,935 3.522,936 15.59,937 19.939,939 31.411,940 15.206,941 2.29,942 7.409,943 27.221,944 3.015,945 16.724,946 21.456,947 0.677,948 33.807,949 16.313,950 2.116,951 6.968,952 29.076,953 2.848,954 17.84,955 22.947,957 36.192,958 17.405,959 17500,960 26078,961 27.334,962 46.228,963 58.2,964 60.208,965 60.296,966 57.993,967 58.172,968 71.365,969 6.88,970 165.654,971 55.174,972 5.6,973 5.324,974 6.614,975 5.293,976 5.221,977 7.588,978 1.72,979 18.387,980 5.135,981 14.536,982 1.455,983 1.505,984 1.507,985 1.45,986 1.454,987 1.784,988 0.172,989 4.141,990 1.379,991 4.116,992 4.139,993 4.089,994 4.029,995 6.457,996 4.04,997 3.936,998 3.973,999 3.857,1000 3.827,1001 5.087,1002 3.827,1003 3.89,1004 3.94,1005 3.76,1006 3.784,1007 4.876,1008 3.771,1009 3.809,1010 3.835,1011 3.716,1012 3.733,1013 4.723,1014 3.726,1015 3.689,1016 3.748,1017 3.564,1018 3.557,1019 4.55,1020 3.544,1021 3.537,1022 3.583,1023 3.396,1024 3.314,1025 4.443,1026 3.331,1027 3.4,1028 3.453,1029 3.261,1030 3.186,1031 4.308,1032 3.193,1033 3.193,1034 3.273,1035 3.023,1036 2.982,1037 4.151,1038 2.977,1039 0.116,1040 0.083,1041 0.169,1042 0.105,1043 0.081,1044 4.649,1045 0.115,1046 3.324,1047 0.022,1048 6.752,1049 0.278,1050 4.194,1051 0.078,1052 3.221,1053 4.588,1054 0.86,1055 11.116,1056 3.135,1057 2.043,1058 2.026,1059 2.095,1060 2.145,1061 1.295,1062 2.129,1063 1.829,1064 1.815,1065 1.963,1066 1.948,1067 1.208,1068 1.939,1069 1.698,1070 1.638,1071 1.909,1072 1.867,1073 1.071,1074 1.896,1075 1.467,1076 1.421,1077 1.727,1078 1.733,1079 1.03,1080 1.73,1081 1.42,1082 1.372,1083 1.673,1084 1.643,1085 0.977,1086 1.651,1087 1.384,1088 1.329,1089 1.64,1090 1.611,1091 0.932,1092 1.614,1093 1.338,1094 1.277,1095 1.614,1096 1.552,1097 0.825,1098 1.578,1099 1.179,1100 1.098,1101 1.553,1102 1.451,1103 0.825,1104 1.489,1105 4.394,1106 2.565,1107 5.707,1108 4.394,1109 7.219,1110 6.107,1111 8.83,1112 7.779,1113 10.499,1114 3.775,1118 9.239,1119 9.397,1121 23.709,1123 1.318,1128 43.572,1129 103.626,1130 230.299,1131 329.341,1132 370.725,1133 370.725,1134 370.725,1135 63.562,1136 8.191,1137 82.93,1138 82.93,1139 24,1140 12.873,1141 4.17,1142 3.248,1143 53.844,1144 147,1145 180,1146 0.17,1147 262.132,1148 460.59,1149 631.362,1150 39953,1152 24.907,1153 0.692,1154 0.592,1155 24.907,1156 21.294,1157 17.661,1158 0.442,1159 0.33,1160 13.004,1161 16.907,1162 12.708,1163 10.516,1164 17.661,1165 13.198,1166 15.35,1167 0.279,1168 0.18,1169 15.35,1170 9.886,1171 11.99,1172 0.176,1173 0.089,1174 11.99,1175 6.072,1176 9.918,1177 0.109,1178 0.043,1179 9.918,1180 3.916,1181 8.683,1182 0.069,1183 0.022,1184 8.683,1185 2.815,1186 0.262,1187 111.329,1188 0.191,1189 32.553,1190 0.485,1191 190,1192 534.382,1193 209.11,1194 495.888,1195 687.57,1196 472,1197 224,1198 506.058,1199 243.667,1200 506.587,1201 750.07,1202 478,1203 6.523}
{0 CHEMBL420454,1 1.517,2 11.529,3 4.875,4 23.767,5 126.003,6 7.29,7 0.447,8 4.274,9 4.369,10 3.826,11 3.754,12 5.332,13 3.755,14 4.808,15 4.969,16 4.082,17 4.06,18 5.835,19 4.037,20 4.943,21 5.125,22 4.203,23 4.151,24 5.983,25 4.13,26 4.953,27 5.134,28 4.223,29 4.204,30 5.984,31 4.181,32 5.001,33 5.156,34 4.328,35 4.327,36 6.052,37 4.293,38 5.146,39 5.31,40 4.358,41 4.393,42 6.195,43 4.345,44 5.233,45 5.438,46 4.349,47 4.371,48 6.248,49 4.315,50 5.194,51 5.387,52 4.214,53 4.322,54 6.155,55 4.253,56 0.074,57 0.869,58 13.905,59 6.424,60 10.595,61 7.881,62 0.541,63 1.318,64 27.31,65 9.909,66 43.193,67 12.53,68 0.658,69 1.492,70 31.928,71 10.996,72 49.96,73 14.483,74 0.644,75 1.561,76 31.855,77 10.891,78 46.249,79 14.388,80 0.515,81 1.677,82 31.859,83 12.698,84 40.186,85 16.388,86 0.672,87 1.889,88 37.571,89 14.102,90 56.181,91 18.435,92 0.983,93 1.967,94 43.327,95 14.548,96 72.693,97 19.894,98 0.901,99 1.862,100 41.76,101 14.047,102 64.817,103 18.602,104 21,105 53,106 0.242,107 0.522,108 0.704,109 0.775,110 0.79,111 0.79,112 3.561,113 0.928,114 -3.5,115 -3.48,116 -3.32,117 40.6,119 4,120 2,122 2,123 4,128 5,129 2,130 4,132 2,135 1,145 9,147 3,148 12,152 5,155 1,156 13,157 1,159 5,162 2,163 8,167 7,170 4,171 9,174 1,175 13,178 2,179 7,181 1,182 1,183 7,186 5,187 12,189 1,190 1,191 7,194 2,195 5,200 7,202 2,203 5,205 2,207 1,208 10,210 2272,211 23.676,212 23.676,213 23.676,214 23.676,215 23.676,216 21.811,217 23.092,218 14.024,219 24.558,220 18.667,221 18.667,222 18.667,223 18.667,224 18.667,225 15.493,226 26.204,227 6.548,228 19.941,229 4.483,230 2.732,231 1.592,232 1.149,233 1.055,234 1.055,235 4.256,238 1,239 1,240 860,241 3.808,242 125.215,244 284.991,245 152.049,246 1.855,247 35.311,250 1,251 0.67,252 0.83,253 1,254 1,255 0.83,256 0.5,257 0.83,258 75,259 392,260 4.649,261 3.328,262 6.752,263 4.191,264 3.22,265 4.588,266 0.86,267 11.114,268 3.129,269 4.233,270 3.132,271 6.161,272 3.822,273 2.866,274 3.885,275 0.86,276 9.154,277 2.739,278 4.001,279 2.976,280 5.827,281 3.657,282 2.692,283 3.521,284 0.86,285 8.216,286 2.635,287 3.679,288 2.823,289 5.521,290 3.654,291 2.667,292 3.011,293 0.86,294 7.425,295 2.627,296 3.671,297 2.675,298 5.504,299 3.541,300 2.587,301 2.841,302 0.86,303 7.407,304 2.432,305 3.589,306 2.567,307 5.395,308 3.183,309 2.266,310 2.733,312 6.94,313 2.084,314 3.479,315 2.428,316 5.26,317 3.031,318 2.103,319 2.643,320 6.535,321 1.923,322 3.331,323 2.315,324 4.991,325 2.973,326 2.057,327 2.523,328 5.973,329 1.871,330 3.088,331 2.25,332 4.727,333 2.69,334 1.773,335 2.303,336 5.028,337 1.623,338 2.677,339 1.735,340 4.276,341 2.387,342 1.455,343 1.715,344 3.703,345 1.338,346 2.383,347 1.484,348 3.579,349 2.06,350 1.142,351 1.365,352 2.502,353 1.04,354 1.943,355 1.267,356 3.349,357 1.769,358 0.863,359 0.915,360 2.017,361 0.772,362 1.899,363 1.161,364 3.307,365 1.711,366 0.79,367 0.853,368 1.872,369 0.718,370 1.898,371 1.126,372 3.249,373 1.57,374 0.695,375 0.809,376 1.405,377 0.603,378 1.526,379 0.957,380 2.829,381 1.219,382 0.364,383 0.413,384 0.549,385 0.31,386 15.8,387 0.465,388 0.683,389 0.02,390 41.25,391 1.213,392 18.5,393 0.544,394 22.75,395 0.669,396 32.143,397 0.945,398 38.2,399 0.597,400 33.388,401 0.982,402 7.766,403 0.228,404 8.895,405 0.262,406 0.084,408 0.348,410 0.895,411 1.354,412 0.788,413 1.24,414 0.885,415 1.032,416 1.258,417 1.014,418 0.979,419 0.971,420 1.001,421 0.933,422 1.101,423 1.059,424 0.836,425 0.911,426 0.891,427 0.833,428 1.125,429 0.919,430 0.909,431 0.834,432 0.884,433 0.814,434 0.884,435 1.123,436 0.894,437 1.092,438 0.715,439 1.016,440 0.969,441 1.266,442 1.052,443 1.228,444 0.913,445 1.167,446 0.88,447 1.022,448 0.941,449 1.025,450 0.841,451 0.991,452 1.227,453 1.129,454 1.169,455 1.095,456 1.181,457 1.115,458 7,459 0.161,460 3,461 1.882,462 2.252,463 1.195,464 0.94,465 0.67,466 0.415,467 0.318,468 16128,469 39510,470 2.145,471 46.9,472 8,473 19,476 1,478 2,480 1.769,481 2.04,482 3.446,483 -0.363,487 97.072,488 1.517,489 3.268,490 4.408,491 4.851,492 4.945,493 4.945,494 2.927,495 4.116,496 5.051,497 3.647,498 2046.08,499 8.918,500 30749,505 384,506 1.286,507 5.033,508 0.184,509 0.004,510 0.064,511 0.036,512 0.041,513 0.02,514 0.016,515 0.012,516 0.008,517 0.007,518 0.391,519 0.33,520 0.63,521 1.067,522 179.77,523 -0.045,524 -0.166,525 0.072,526 -0.098,527 -0.04,528 -0.006,529 -0.089,530 0.044,531 -0.005,532 0.05,533 0.005,534 0.034,535 0.018,536 -0.026,537 0.149,538 0.091,539 0.072,540 0.137,541 -0.066,542 0.172,543 0.061,544 0.16,545 -0.057,546 0.146,547 0.038,548 -0.024,549 0.027,550 -0.03,551 0.06,552 -0.014,553 0.018,554 -0.187,555 -0.111,556 -0.194,558 -0.182,559 0.134,560 0.013,561 0.042,562 -0.05,563 0.095,564 -0.024,565 -0.096,566 -0.117,567 -0.178,568 -0.112,569 -0.146,570 -0.154,571 1.6,572 3.16,573 0.647,574 39.509,575 1.008,576 1.126,577 2.269,578 5.15,579 0.647,580 3.664,581 3.989,582 4.205,583 4.489,584 4.812,585 5.004,586 5.204,587 5.375,588 5.521,589 5.568,590 6.954,591 0.62,592 466.58,593 3.664,594 5.209,595 6.071,596 6.957,597 7.84,598 8.736,599 9.628,600 10.529,601 11.426,602 12.33,603 3.1,610 2,612 2,613 5,614 2,617 7,618 17,627 5,629 64,630 17,631 2,632 38,633 68,634 26,635 14,636 7,637 5,639 5,640 6,642 1,645 4,646 2,647 4,649 14,650 12,651 2,663 30,664 8,665 1,666 8,668 2,669 0.8,670 6,671 1,673 1,674 2,676 3,677 1,685 1,687 4,690 2,693 34,696 1,697 8,699 5,701 2,709 9.4,710 1,714 5,716 16.667,717 12.017,718 7.611,719 3.925,720 3.51,721 1.434,722 0.949,723 7.16,724 11.598,725 3.861,726 4.454,727 5.032,728 5.681,729 6.356,730 6.805,731 7.302,732 7.762,733 8.201,734 8.45,735 0.875,736 53,737 12.609,738 5.37,739 7.652,740 24.421,741 20.377,742 2.152,743 73.167,747 341.362,748 129.082,749 33.571,751 97.683,754 129.082,755 439.045,756 33.571,757 21.766,758 23.915,759 90.065,760 33.571,761 86.633,762 4.386,763 341.362,765 341.362,766 162.653,767 97.683,769 317.82,770 78.542,771 42.683,773 33.202,774 95.88,775 33.571,777 341.362,778 131.254,779 129.082,781 341.362,782 59.934,783 69.147,785 131.254,786 341.362,787 131.254,788 129.082,789 0.572,790 0.31,791 0.168,792 0.103,793 26,794 11,795 0.176,796 12,797 1,798 1.091,799 4.504,800 330.162,801 0.091,802 22,803 154.974,806 23.307,807 10.445,808 6.177,809 1.418,810 131.254,811 9.539,812 9.184,815 4.308,816 42.683,817 601.697,818 46.5,825 64.538,826 72.066,827 0.253,828 0.545,829 0.735,830 0.809,831 0.824,832 0.824,833 5.113,834 2.057,835 6.047,836 6.535,837 4.673,838 5.142,839 2.128,840 6.86,841 4.56,842 6.321,843 1.773,844 7.605,845 5.973,846 4.369,847 5.075,849 7.811,850 4.261,851 7.638,852 1.455,853 9.26,854 5.028,855 6.297,856 7.367,857 1.867,858 10.844,859 6.111,860 8.987,861 1.142,862 10.969,863 3.703,864 6.735,865 8.082,867 12.555,868 6.553,869 10.365,870 0.863,871 12.712,872 2.502,873 8.172,874 9.915,875 1.619,876 15.155,877 7.934,878 11.764,879 0.79,880 14.479,881 2.017,882 8.953,883 11.019,885 17.221,886 8.711,887 13.181,888 0.695,889 16.263,890 1.872,891 10.195,892 12.662,893 1.384,894 19.675,895 9.912,896 3.22,897 0.364,898 18.063,899 1.405,900 11.149,901 13.971,903 21.916,904 10.852,905 2.866,906 11.114,907 19.874,908 0.549,909 12.314,910 15.532,911 1.167,912 24.323,913 11.984,914 2.692,915 9.154,916 21.697,917 4.588,918 13.358,919 16.945,921 26.648,922 13.007,923 2.667,924 8.216,925 23.529,926 3.885,927 14.496,928 18.474,929 0.97,930 29.044,931 14.116,932 2.587,933 7.425,934 25.37,935 3.521,936 15.586,937 19.938,939 31.409,940 15.182,941 2.266,942 7.407,943 27.219,944 3.011,945 16.72,946 21.456,947 0.793,948 33.805,949 16.289,950 2.103,951 6.94,952 29.075,953 2.841,954 17.837,955 22.947,957 36.19,958 17.379,959 15154,960 23920,961 25.948,962 41.398,963 55.695,964 58.038,965 57.766,966 55.323,967 55.615,968 68.809,969 8.6,970 160.49,971 52.132,972 5.599,973 5.328,974 6.613,975 5.29,976 5.22,977 7.588,978 1.72,979 18.386,980 5.129,981 13.823,982 1.466,983 1.527,984 1.52,985 1.456,986 1.464,987 1.811,988 0.226,989 4.223,990 1.372,991 4.108,992 4.127,993 4.084,994 4.019,995 6.457,996 4.031,997 3.935,998 3.972,999 3.856,1000 3.826,1001 5.133,1002 3.826,1003 3.89,1004 3.94,1005 3.76,1006 3.784,1007 4.878,1008 3.771,1009 3.808,1010 3.834,1011 3.716,1012 3.732,1013 4.8,1014 3.725,1015 3.565,1016 3.598,1017 3.494,1018 3.322,1019 4.55,1020 3.355,1021 3.437,1022 3.478,1023 3.302,1024 3.188,1025 4.45,1026 3.209,1027 3.247,1028 3.312,1029 3.073,1030 2.972,1031 4.399,1032 2.985,1033 3.138,1034 3.19,1035 3.022,1036 2.94,1037 4.284,1038 2.947,1039 0.122,1040 0.088,1041 0.178,1042 0.11,1043 0.085,1044 4.649,1045 0.121,1046 3.328,1047 0.023,1048 6.752,1049 0.292,1050 4.191,1051 0.082,1052 3.22,1053 4.588,1054 0.86,1055 11.114,1056 3.129,1057 2.034,1058 2.018,1059 2.079,1060 2.137,1061 1.231,1062 2.118,1063 1.826,1064 1.814,1065 1.913,1066 1.945,1067 1.071,1068 1.934,1069 1.472,1070 1.432,1071 1.726,1072 1.75,1073 1.03,1074 1.736,1075 1.42,1076 1.372,1077 1.673,1078 1.643,1079 0.977,1080 1.651,1081 1.383,1082 1.33,1083 1.639,1084 1.64,1085 0.931,1086 1.627,1087 1.332,1088 1.284,1089 1.608,1090 1.564,1091 0.825,1092 1.587,1093 1.187,1094 1.111,1095 1.566,1096 1.503,1097 0.825,1098 1.524,1099 1.153,1100 1.064,1101 1.513,1102 1.376,1103 0.594,1104 1.429,1105 4.344,1106 2.565,1107 5.666,1108 4.394,1109 7.189,1110 6.107,1111 8.808,1112 7.779,1113 10.482,1114 3.115,1118 9.16,1119 6.35,1121 28.812,1123 1.28,1128 39.707,1129 97.072,1130 209.132,1131 282.126,1132 310.49,1133 316.49,1134 316.49,1135 55.691,1136 8.088,1137 92.16,1138 92.16,1139 24,1140 12.851,1141 4.17,1142 3.248,1143 49.517,1144 136,1145 168,1146 0.171,1147 237.351,1148 417.48,1149 570.897,1150 35461,1152 23.493,1153 0.691,1154 0.576,1155 23.493,1156 19.581,1157 16.661,1158 0.438,1159 0.309,1160 11.514,1161 15.759,1162 11.259,1163 9.279,1164 16.661,1165 11.75,1166 14.616,1167 0.276,1168 0.167,1169 14.616,1170 8.853,1171 11.601,1172 0.176,1173 0.082,1174 11.601,1175 5.433,1176 9.523,1177 0.108,1178 0.04,1179 9.523,1180 3.491,1181 8.347,1182 0.068,1183 0.02,1184 8.347,1185 2.492,1186 0.264,1187 106.444,1188 0.196,1189 31.083,1190 0.488,1191 182,1192 570.118,1193 204.21,1194 521.742,1195 717.45,1196 496,1197 216,1198 522.603,1199 238.325,1200 523.137,1201 773.47,1202 490,1203 6.959}
{0 CHEMBL420999,1 1.471,2 9.483,3 4.678,4 21.882,5 109.873,6 6.957,7 0.548,8 4.121,9 4.229,10 3.629,11 3.605,12 5.197,13 3.587,14 4.665,15 4.846,16 3.986,17 3.933,18 5.7,19 3.918,20 4.823,21 4.989,22 4.063,23 4.083,24 5.876,25 4.058,26 4.858,27 5.049,28 4.116,29 4.185,30 5.858,31 4.124,32 4.963,33 5.137,34 4.134,35 4.272,36 5.976,37 4.192,38 5.078,39 5.304,40 4.134,41 4.262,42 6.009,43 4.174,44 5.052,45 5.255,46 4.055,47 4.171,48 6.037,49 4.102,50 4.99,51 5.198,52 3.911,53 4.174,54 5.93,55 4.066,57 0.76,58 12.72,59 5.596,60 11.345,61 7.239,62 0.249,63 1.167,64 24.228,65 8.593,66 33.302,67 11.4,68 0.556,69 1.364,70 28.883,71 9.411,72 45.695,73 12.382,74 0.306,75 1.486,76 28.659,77 11.131,78 32.942,79 15.326,80 0.408,81 1.628,82 31.826,83 12.523,84 43.711,85 16.925,86 0.265,87 1.741,88 36.726,89 13.38,90 42.139,91 18.843,92 0.616,93 1.623,94 36.988,95 11.787,96 59.013,97 16.066,98 0.658,99 1.593,100 34.226,101 11.578,102 54.11,103 16.098,104 70,105 44,106 0.242,107 0.506,108 0.674,109 0.708,110 0.714,111 0.719,112 3.409,113 0.938,114 -4.37,115 -4.3,116 -4.06,117 40.4,118 5,122 2,124 2,128 5,129 2,130 4,132 2,134 1,145 3,147 1,148 16,152 7,155 1,156 9,159 5,162 2,163 5,167 14,170 4,171 6,175 10,178 1,179 10,183 5,186 2,187 12,191 6,194 2,195 1,200 8,202 2,203 5,208 8,210 1371,211 19.083,212 19.083,213 19.083,214 19.083,215 19.083,216 17.165,217 22.598,218 11.133,219 19.869,220 15.235,221 15.235,222 15.235,223 15.235,224 15.235,225 12.064,226 26.852,227 5.19,228 16.303,229 4.362,230 2.759,231 1.735,232 1.531,233 1.496,234 1.461,235 4.086,238 1,239 1,240 565,241 3.808,244 233.858,245 123.473,246 1.465,247 24.259,250 1,251 1,252 1,253 1,254 1,255 1,256 1,257 1,258 63,259 275,260 4.646,261 3.317,262 6.749,263 4.19,264 3.217,265 4.586,266 0.86,267 11.098,268 3.132,269 4.237,270 3.159,271 6.156,272 3.822,273 2.869,274 3.887,275 0.86,276 9.129,277 2.735,278 3.993,279 2.947,280 5.834,281 3.578,282 2.648,283 3.513,284 0.86,285 8.238,286 2.454,287 3.606,288 2.865,289 5.475,290 3.266,291 2.364,292 2.995,293 0.86,294 7.052,295 2.135,296 3.506,297 2.46,298 5.194,299 3.219,300 2.277,301 2.794,303 6.558,304 2.121,305 3.44,306 2.261,307 5.022,308 3.004,309 2.056,310 2.703,312 5.911,313 1.941,314 3.136,315 2.207,316 4.733,317 2.888,318 1.936,319 2.327,320 5.088,321 1.831,322 2.966,323 2.062,324 4.461,325 2.63,326 1.68,327 2.017,328 4.555,329 1.594,330 2.872,331 1.891,332 4.295,333 2.621,334 1.669,335 1.916,336 4.216,337 1.578,338 2.583,339 1.425,340 4.206,341 2.148,342 1.233,343 1.611,344 3.434,345 1.119,346 1.889,347 1.025,348 3.376,349 1.531,350 0.62,351 0.765,352 1.355,353 0.56,354 1.517,355 0.843,356 2.879,357 1.227,358 0.378,359 0.414,360 0.523,361 0.318,362 1.188,363 0.211,364 2.714,365 0.798,366 -0.132,367 -0.159,368 -0.277,369 -0.122,370 1.125,371 0.19,372 2.705,373 0.793,374 -0.133,375 -0.167,376 -0.372,377 -0.122,378 1.021,379 0.148,380 2.576,381 0.725,382 -0.178,383 -0.199,384 -0.479,385 -0.159,386 13.633,387 0.47,388 0.873,389 0.03,390 36.5,391 1.259,392 18,393 0.621,394 18.5,395 0.638,396 28.022,397 0.966,398 32.567,399 0.571,400 28.873,401 0.996,402 7.069,403 0.244,404 6.731,405 0.232,406 0.257,408 0.403,410 0.871,411 1.42,412 0.836,413 1.299,414 0.991,415 1.098,416 1.303,417 0.989,418 0.756,419 0.855,420 0.899,421 0.738,422 1.731,423 0.911,424 1.12,425 0.791,426 1.591,427 0.838,428 0.692,429 1.075,430 0.808,431 1.013,432 0.685,433 0.939,434 0.859,435 1.207,436 1.068,437 1.209,438 0.972,439 1.188,440 0.793,441 1.156,442 0.88,443 1.126,444 0.767,445 1.03,446 1.556,447 1.048,448 1.197,449 1.008,450 1.38,451 1.035,452 1.191,453 0.993,454 1.303,455 1.056,456 1.332,457 1.163,458 8,459 0.194,460 2.444,461 2.438,462 2.142,463 1.34,464 1.077,465 0.679,466 0.49,467 0.295,468 8755,469 21733,470 1.973,471 49.1,473 13,477 3,478 12,480 1.729,481 1.794,482 3.224,483 -0.785,487 83.827,488 1.471,489 3.074,490 4.098,491 4.302,492 4.337,493 4.372,494 2.682,495 4.306,496 4.827,497 3.393,498 1377.37,499 8.462,500 18193.2,502 1,505 332.475,506 1.556,507 4.756,508 0.258,509 0.013,510 0.056,511 0.052,512 0.043,513 0.027,514 0.022,515 0.016,516 0.013,517 0.011,518 0.511,519 0.17,520 1,521 1.323,522 144.357,524 -0.225,525 0.073,526 -0.153,527 -0.128,528 -0.046,529 -0.054,530 0.064,531 0.249,532 0.162,533 0.223,534 0.239,535 -0.221,536 0.176,537 -0.083,538 0.199,539 -0.267,540 0.1,541 0.121,542 0.017,543 0.129,544 0.041,545 0.17,546 0.081,547 0.06,548 -0.116,549 -0.126,550 -0.147,551 -0.052,552 -0.173,553 0.048,554 -0.133,555 0.077,556 -0.119,557 0.118,558 -0.029,559 -0.17,560 -0.027,561 -0.164,562 -0.05,563 -0.129,564 -0.099,565 -0.094,566 0.072,567 -0.316,568 -0.075,569 -0.238,570 -0.202,571 1.287,572 2.454,573 0.552,574 26.323,575 1,576 1.127,577 3.14,578 9.858,579 0.644,580 3.466,581 3.807,582 4.043,583 4.382,584 4.663,585 4.844,586 5.004,587 5.13,588 5.187,589 5.153,590 5.958,591 0.61,592 396.53,593 3.466,594 5.017,595 5.861,596 6.76,597 7.633,598 8.541,599 9.427,600 10.339,601 11.233,602 12.146,603 3.5,610 2,612 2,613 5,614 2,617 7,618 17,627 4,629 57,630 17,631 2,632 31,633 59,634 23,635 14,636 7,637 5,639 3,640 4,642 5,647 2,649 14,650 9,660 1,663 28,664 6,666 6,668 2,669 0.667,670 4,673 1,676 3,677 1,687 2,690 7,693 29,699 4,701 2,709 7,714 4,716 16.167,717 12.65,718 6.444,719 3.478,720 3.493,721 1.462,722 0.933,723 6.607,724 11.048,725 3.701,726 4.344,727 4.958,728 5.644,729 6.305,730 6.739,731 7.212,732 7.657,733 8.064,734 8.282,735 1,736 47,737 10.687,738 4.333,739 7.626,740 20.481,741 16.001,742 2.126,743 61.667,745 1,746 1,747 329.591,748 147.234,749 33.571,751 44,754 147.234,755 373.59,756 33.571,757 65.892,759 47.381,760 33.571,761 77.961,763 329.591,765 329.591,766 180.805,767 44,769 190.666,770 185.253,773 49.027,774 95.88,775 33.571,777 329.591,778 77.571,779 147.234,781 329.591,782 33.961,783 113.273,785 77.571,786 329.591,787 77.571,788 147.234,789 0.578,790 0.32,791 0.189,792 0.111,793 20,794 11,795 0.119,796 7,797 1,798 1.125,799 3.77,800 260.167,801 0.125,802 16,803 124.881,806 21.348,807 8.976,808 4.979,809 1.65,810 77.571,811 9.633,812 9.303,815 5.071,817 554.396,818 39.5,825 57,826 64.232,827 0.252,828 0.527,829 0.703,830 0.737,831 0.743,832 0.75,833 4.951,834 1.68,835 5.872,836 5.088,837 4.489,838 5.03,839 1.934,840 6.701,841 4.369,842 6.181,843 1.669,844 7.44,845 4.555,846 4.205,847 4.997,849 7.609,850 4.051,851 7.504,852 1.233,853 9.101,854 4.216,855 6.098,856 7.301,857 1.682,858 10.711,859 5.885,860 8.86,861 0.62,862 10.814,863 3.434,864 6.538,865 8.031,867 12.412,868 6.296,869 10.246,870 0.378,871 12.562,872 1.355,873 7.969,874 9.878,875 1.444,876 15.059,877 7.689,878 11.653,879 -0.132,880 14.336,881 0.523,882 8.764,883 10.992,885 17.134,886 8.46,887 13.079,888 -0.133,889 16.128,890 -0.277,891 10.01,892 12.643,893 1.222,894 19.613,895 9.68,896 3.217,897 -0.178,898 17.937,899 -0.372,900 10.983,901 13.957,903 21.863,904 10.632,905 2.869,906 11.098,907 19.759,908 -0.479,909 12.156,910 15.522,911 1.019,912 24.282,913 11.784,914 2.648,915 9.129,916 21.593,917 4.586,918 13.219,919 16.937,921 26.613,922 12.827,923 2.364,924 8.238,925 23.436,926 3.887,927 14.367,928 18.467,929 0.837,930 29.013,931 13.956,932 2.277,933 7.052,934 25.288,935 3.513,936 15.474,937 19.932,939 31.381,940 15.042,941 2.056,942 6.558,943 27.146,944 2.995,945 16.617,946 21.45,947 0.677,948 33.778,949 16.167,950 1.936,951 5.911,952 29.011,953 2.794,954 17.746,955 22.94,957 36.164,958 17.275,959 8880,960 14173,961 19.709,962 36.728,963 46.2,964 47.075,965 48.629,966 45.799,967 45.893,968 59.058,969 6.88,970 134.31,971 43.04,972 5.43,973 5.317,974 6.291,975 5.265,976 5.217,977 7.586,978 1.72,979 18.37,980 5.132,981 18.729,982 1.49,983 1.519,984 1.569,985 1.477,986 1.48,987 1.905,988 0.222,989 4.333,990 1.388,991 4.106,992 4.127,993 4.082,994 4.021,995 5.095,996 4.033,997 3.877,998 3.891,999 3.83,1000 3.779,1001 4.883,1002 3.788,1003 3.61,1004 3.668,1005 3.491,1006 3.426,1007 4.748,1008 3.42,1009 3.58,1010 3.633,1011 3.452,1012 3.412,1013 4.567,1014 3.41,1015 3.508,1016 3.564,1017 3.361,1018 3.328,1019 4.498,1020 3.339,1021 3.253,1022 3.317,1023 3.081,1024 3.025,1025 4.27,1026 3.026,1027 3.207,1028 3.283,1029 3.012,1030 2.948,1031 4.098,1032 2.954,1033 3.018,1034 3.076,1035 2.889,1036 2.85,1037 3.948,1038 2.846,1039 0.15,1040 0.107,1041 0.218,1042 0.135,1043 0.104,1044 4.646,1045 0.148,1046 3.317,1047 0.028,1048 6.749,1049 0.358,1050 4.19,1051 0.101,1052 3.217,1053 4.586,1054 0.86,1055 11.098,1056 3.132,1057 2.041,1058 2.024,1059 2.09,1060 2.141,1061 1.236,1062 2.126,1063 1.835,1064 1.821,1065 1.946,1066 1.964,1067 1.084,1068 1.956,1069 1.598,1070 1.537,1071 1.886,1072 1.816,1073 1.053,1074 1.84,1075 1.562,1076 1.499,1077 1.824,1078 1.749,1079 0.975,1080 1.774,1081 1.459,1082 1.407,1083 1.691,1084 1.684,1085 0.736,1086 1.686,1087 1.203,1088 1.136,1089 1.576,1090 1.524,1091 0.58,1092 1.54,1093 1.183,1094 1.105,1095 1.552,1096 1.455,1097 0.574,1098 1.492,1099 1.013,1100 0.953,1101 1.417,1102 1.239,1103 0.469,1104 1.308,1105 4.143,1107 5.476,1109 6.999,1111 8.622,1113 10.305,1114 13.09,1121 22.827,1123 0.093,1128 34.75,1129 83.827,1130 175.214,1131 233.581,1132 245.191,1133 247.191,1134 249.191,1135 49.717,1136 7.555,1137 62.7,1138 62.7,1139 18,1140 12.663,1141 4.17,1142 3.248,1143 51.928,1144 101,1145 102,1146 0.252,1147 215.368,1148 372.72,1149 517.259,1150 17695,1152 21.129,1153 0.729,1154 0.623,1155 21.129,1156 18.069,1157 13.799,1158 0.445,1159 0.313,1160 9.522,1161 13.078,1162 9.013,1163 7.626,1164 13.799,1165 9.695,1166 12.931,1167 0.294,1168 0.168,1169 12.931,1170 7.37,1171 9.585,1172 0.171,1173 0.075,1174 9.585,1175 4.21,1176 8.765,1177 0.111,1178 0.04,1179 8.765,1180 3.181,1181 7.136,1182 0.068,1183 0.02,1184 7.136,1185 2.14,1186 0.383,1187 87.476,1188 0.225,1189 26.826,1190 0.736,1191 150,1192 462.232,1193 168.335,1194 431.002,1195 598.89,1196 408,1197 175,1198 451.452,1199 191.898,1200 453.844,1201 661.86,1202 424,1203 5.886}
{0 CHEMBL431806,1 1.437,2 12.813,3 7.598,4 57.731,5 178.7,6 7.096,7 0.418,8 4.631,9 4.73,10 4.17,11 4.158,12 5.621,13 4.141,14 5.175,15 5.338,16 4.41,17 4.468,18 6.13,19 4.421,20 5.358,21 5.557,22 4.534,23 4.542,24 6.33,25 4.501,26 5.338,27 5.531,28 4.567,29 4.587,30 6.323,31 4.55,32 5.358,33 5.518,34 4.708,35 4.742,36 6.384,37 4.696,38 5.528,39 5.692,40 4.77,41 4.861,42 6.523,43 4.801,44 5.663,45 5.868,46 4.839,47 4.887,48 6.623,49 4.835,50 5.664,51 5.839,52 4.826,53 4.902,54 6.642,55 4.848,56 0.023,57 1.24,58 20.537,59 9.604,60 10.986,61 11.999,62 0.378,63 1.953,64 39.204,65 15.202,66 45.094,67 19.439,68 0.734,69 2.253,70 49.378,71 17.242,72 66.018,73 22.809,74 0.848,75 2.285,76 47.979,77 16.666,78 67.94,79 22.122,80 0.68,81 2.465,82 46.115,83 18.714,84 59.607,85 24.654,86 0.503,87 2.898,88 54.739,89 21.801,90 67.187,91 28.722,92 0.728,93 3.204,94 65.692,95 23.333,96 83.443,97 31.63,98 0.924,99 3.192,100 65.313,101 23.32,102 87.202,103 30.535,104 11,105 78,106 0.212,107 0.465,108 0.616,109 0.678,110 0.691,111 0.7,112 3.895,113 0.958,114 -4.55,115 -4.48,116 -4.21,117 42.4,119 8,120 4,122 1,123 6,128 8,129 3,130 6,132 2,134 1,145 17,147 1,148 20,152 8,155 1,156 23,157 1,159 6,162 3,163 7,167 14,170 8,171 8,174 1,175 32,178 1,179 10,181 1,182 1,183 19,186 2,187 30,189 1,190 1,191 15,194 2,195 25,200 13,202 4,203 4,205 1,207 2,208 22,210 5892,211 33.51,212 33.51,213 33.51,214 33.51,215 33.51,216 31.012,217 29.562,218 19.75,219 34.438,220 27.177,221 27.177,222 27.177,223 27.177,224 27.177,225 22.966,226 34.344,227 9.442,228 28.614,229 5.087,230 3.37,231 2.341,232 1.921,233 1.834,234 1.769,235 4.603,239 1,240 1389,241 4.472,242 347.427,244 565.524,245 225.512,246 1.878,247 47.208,250 0.75,251 0.33,252 0.67,253 0.9,254 1,255 0.67,256 0.5,257 0.69,258 104,259 615,260 4.664,261 3.326,262 6.766,263 4.211,264 3.24,265 4.602,266 0.86,267 11.168,268 3.149,269 4.284,270 3.142,271 6.195,272 3.883,273 2.917,274 3.941,275 0.86,276 9.322,277 2.82,278 4.233,279 3.114,280 6.151,281 3.822,282 2.866,283 3.885,284 0.86,285 9.136,286 2.737,287 3.979,288 2.933,289 5.812,290 3.661,291 2.692,292 3.496,293 0.86,294 8.159,295 2.635,296 3.73,297 2.823,298 5.563,299 3.654,300 2.667,301 3.097,302 0.86,303 7.546,304 2.635,305 3.679,306 2.823,307 5.518,308 3.654,309 2.667,310 2.916,311 0.86,312 7.425,313 2.631,314 3.679,315 2.694,316 5.504,317 3.641,318 2.649,319 2.733,320 7.425,321 2.625,322 3.652,323 2.631,324 5.504,325 3.518,326 2.559,327 2.733,328 7.393,329 2.424,330 3.606,331 2.474,332 5.427,333 3.29,334 2.338,335 2.643,336 7.181,337 2.213,338 3.516,339 2.428,340 5.39,341 3.094,342 2.14,343 2.641,344 6.858,345 2.033,346 3.331,347 2.428,348 4.991,349 2.973,350 2.057,351 2.523,352 5.973,353 1.871,354 3.331,355 2.314,356 4.991,357 2.973,358 2.057,359 2.523,360 5.973,361 1.871,362 3.104,363 2.25,364 4.754,365 2.703,366 1.782,367 2.328,368 5.092,369 1.641,370 2.796,371 1.735,372 4.35,373 2.387,374 1.456,375 1.929,376 3.986,377 1.338,378 2.662,379 1.503,380 4.255,381 2.279,382 1.336,383 1.695,384 3.657,385 1.254,386 22.633,387 0.472,388 1.008,389 0.021,390 56.75,391 1.182,392 25,393 0.521,394 31.75,395 0.661,396 54.244,397 1.13,398 52.967,399 0.576,400 50.482,401 1.052,402 9.949,403 0.207,404 13.645,405 0.284,406 0.037,408 0.353,410 0.866,411 1.252,412 0.806,413 1.168,414 0.85,415 1.007,416 1.277,417 1.167,418 1.033,419 1.108,420 0.993,421 1.045,422 1.249,423 1.025,424 0.869,425 0.894,426 0.985,427 0.829,428 1.233,429 0.869,430 0.881,431 0.75,432 0.972,433 0.747,434 0.776,435 1.031,436 0.852,437 0.98,438 0.691,439 0.941,440 0.958,441 1.26,442 1.037,443 1.186,444 0.961,445 1.131,446 1.047,447 1.008,448 0.901,449 0.954,450 0.956,451 0.896,452 1.332,453 1.193,454 1.135,455 1.084,456 1.214,457 1.072,458 10,459 0.486,460 4.222,461 2.264,462 3.016,463 1.55,464 1.148,465 1.18,466 0.61,467 0.626,468 43053,469 91214,470 2.224,471 47.8,472 16,473 23,476 1,478 4,480 1.855,481 2.149,482 3.634,483 -0.448,487 132.171,488 1.437,489 3.153,490 4.182,491 4.602,492 4.689,493 4.754,494 2.965,495 4.835,496 5.55,497 3.881,498 4377.79,499 9.94,500 85108.5,505 600.168,506 1.143,507 5.544,508 0.182,509 0.005,510 0.064,511 0.031,512 0.038,513 0.017,514 0.012,515 0.012,516 0.006,517 0.006,518 0.373,519 0.17,520 0.63,521 0.731,522 280.919,523 -0.02,524 -0.093,525 0.081,526 -0.046,527 -0.005,528 0.023,529 -0.116,530 -0.109,531 -0.056,532 -0.079,533 0.019,534 -0.064,535 0.007,536 -0.012,537 0.15,538 0.086,539 0.075,540 0.132,541 -0.018,542 0.192,543 0.128,544 0.229,545 -0.011,546 0.208,547 0.145,548 0.081,549 0.087,550 0.066,551 0.14,552 0.057,553 -0.024,554 -0.158,555 -0.096,556 -0.148,557 -0.04,558 -0.137,559 -0.015,560 0.066,561 0.086,562 0.025,563 0.02,564 0.07,565 -0.108,566 -0.119,567 -0.138,568 -0.092,569 -0.113,570 -0.116,571 1.615,572 3.482,573 0.708,574 68.177,575 1.001,576 1.122,577 3.322,578 11.038,579 0.654,580 4.025,581 4.369,582 4.554,583 4.836,584 5.165,585 5.384,586 5.635,587 5.875,588 6.098,589 6.263,590 8.494,591 0.621,592 652.85,593 4.025,594 5.587,595 6.454,596 7.343,597 8.226,598 9.121,599 10.012,600 10.912,601 11.809,602 12.713,603 2.2,610 2,612 2,613 8,614 2,617 10,618 23,627 6,629 92,630 23,631 3,632 55,633 99,634 39,635 20,636 10,637 8,639 8,640 9,642 1,645 8,646 4,647 8,649 20,650 19,651 4,663 44,664 9,665 1,666 9,668 2,669 0.875,670 7,671 1,673 1,674 4,676 4,677 1,685 1,687 7,690 1,693 48,696 1,697 14,699 6,701 4,709 7.6,710 1,714 6,716 22.333,717 16.6,718 10.389,719 6.029,720 4.453,721 1.484,722 0.98,723 9.528,724 13.662,725 4.212,726 4.8,727 5.342,728 5.981,729 6.657,730 7.132,731 7.693,732 8.232,733 8.767,734 9.185,735 0.778,736 74,737 17.916,738 7.846,739 7.528,740 35.324,741 30.749,742 2.028,743 97.333,747 506.157,748 177.565,749 33.571,751 108.683,754 177.565,755 614.84,756 33.571,757 10.883,758 43.238,759 118.493,760 33.571,761 113.633,763 506.157,765 506.157,766 211.136,767 108.683,769 461.401,770 113.084,771 42.683,773 48.139,774 127.098,775 33.571,777 506.157,778 142.254,779 177.565,781 506.157,782 90.872,783 86.693,785 142.254,786 506.157,787 142.254,788 177.565,789 0.581,790 0.297,791 0.157,792 0.093,793 40,794 16,795 0.182,796 18,797 1,798 1.059,799 5.655,800 552.737,801 0.059,802 34,803 228.078,806 31.975,807 14.304,808 9.26,809 1.476,810 142.254,811 15.82,812 10.304,815 6.989,816 42.683,817 825.976,818 66.5,825 92.05,826 103.182,827 0.22,828 0.483,829 0.641,830 0.705,831 0.719,832 0.729,833 5.484,834 2.559,835 6.431,836 7.425,837 5.056,838 5.489,839 2.29,840 7.238,841 4.964,842 6.693,843 2.338,844 7.987,845 7.393,846 4.796,847 5.414,849 8.189,850 4.714,851 8.008,852 2.14,853 9.636,854 7.181,855 6.691,856 7.678,857 2.023,858 11.189,859 6.538,860 9.349,861 2.057,862 11.338,863 6.858,864 7.14,865 8.36,867 12.875,868 6.995,869 10.719,870 2.057,871 13.072,872 5.973,873 8.562,874 10.183,875 1.767,876 15.449,877 8.361,878 12.107,879 1.782,880 14.829,881 5.973,882 9.335,883 11.251,885 17.482,886 9.131,887 13.513,888 1.456,889 16.602,890 5.092,891 10.567,892 12.889,893 1.524,894 19.914,895 10.32,896 3.24,897 1.336,898 18.389,899 3.986,900 11.506,901 14.167,903 22.127,904 11.244,905 2.917,906 11.168,907 20.187,908 3.657,909 12.66,910 15.722,911 1.296,912 24.515,913 12.363,914 2.866,915 9.322,916 21.996,917 4.602,918 13.687,919 17.112,921 26.821,922 13.367,923 2.692,924 9.136,925 23.814,926 3.941,927 14.814,928 18.633,929 1.087,930 29.203,931 14.463,932 2.667,933 8.159,934 25.641,935 3.885,936 15.889,937 20.082,939 31.556,940 15.512,941 2.667,942 7.546,943 27.476,944 3.496,945 17.011,946 21.592,947 0.897,948 33.943,949 16.604,950 2.649,951 7.425,952 29.319,953 3.097,954 18.115,955 23.072,957 36.321,958 17.679,959 38741,960 56698,961 38.372,962 60.182,963 81.74,964 84.303,965 83.339,966 81.015,967 81.336,968 99.033,969 10.32,970 236.191,971 77.19,972 5.615,973 5.326,974 6.627,975 5.31,976 5.24,977 7.602,978 1.72,979 18.443,980 5.149,981 14.156,982 1.486,983 1.533,984 1.515,985 1.473,986 1.479,987 1.801,988 0.188,989 4.294,990 1.403,991 4.135,992 4.157,993 4.108,994 4.046,995 6.457,996 4.058,997 3.95,998 3.983,999 3.88,1000 3.851,1001 5.11,1002 3.853,1003 3.939,1004 3.974,1005 3.857,1006 3.83,1007 4.882,1008 3.829,1009 3.89,1010 3.94,1011 3.76,1012 3.784,1013 4.875,1014 3.771,1015 3.89,1016 3.94,1017 3.76,1018 3.784,1019 4.709,1020 3.771,1021 3.823,1022 3.856,1023 3.727,1024 3.749,1025 4.55,1026 3.737,1027 3.807,1028 3.83,1029 3.712,1030 3.729,1031 4.55,1032 3.724,1033 3.541,1034 3.579,1035 3.449,1036 3.314,1037 4.444,1038 3.339,1039 0.085,1040 0.06,1041 0.123,1042 0.077,1043 0.059,1044 4.664,1045 0.084,1046 3.326,1047 0.016,1048 6.766,1049 0.203,1050 4.211,1051 0.057,1052 3.24,1053 4.602,1054 0.86,1055 11.168,1056 3.149,1057 2.051,1058 2.035,1059 2.095,1060 2.149,1061 1.243,1062 2.133,1063 1.871,1064 1.858,1065 1.955,1066 1.974,1067 1.105,1068 1.966,1069 1.819,1070 1.807,1071 1.906,1072 1.938,1073 1.068,1074 1.926,1075 1.467,1076 1.425,1077 1.724,1078 1.735,1079 1.03,1080 1.728,1081 1.42,1082 1.372,1083 1.673,1084 1.643,1085 1.03,1086 1.651,1087 1.42,1088 1.372,1089 1.673,1090 1.643,1091 0.988,1092 1.651,1093 1.391,1094 1.339,1095 1.643,1096 1.613,1097 0.977,1098 1.615,1099 1.38,1100 1.325,1101 1.638,1102 1.565,1103 0.93,1104 1.592,1105 4.71,1106 3.219,1107 6.047,1108 5.081,1109 7.574,1110 6.799,1111 9.189,1112 8.472,1113 10.855,1114 1.605,1118 9.482,1119 12.468,1121 36.727,1123 2.462,1128 57.109,1129 132.171,1130 290.113,1131 384.784,1132 423.413,1133 431.413,1134 437.413,1135 82.657,1136 9.209,1137 101.39,1138 101.39,1139 36,1140 13.234,1141 4.585,1142 3.644,1143 62.417,1144 234,1145 252,1146 0.121,1147 335.086,1148 595.27,1149 809.369,1150 140628,1152 32.451,1153 0.676,1154 0.575,1155 32.451,1156 27.619,1157 23.594,1158 0.429,1159 0.319,1160 17.294,1161 22.585,1162 16.975,1163 13.911,1164 23.594,1165 17.555,1166 21.343,1167 0.274,1168 0.178,1169 21.343,1170 13.892,1171 16.351,1172 0.174,1173 0.087,1174 16.351,1175 8.198,1176 13.493,1177 0.108,1178 0.041,1179 13.493,1180 5.179,1181 11.793,1182 0.068,1183 0.021,1184 11.793,1185 3.704,1186 0.188,1187 148.746,1188 0.161,1189 40.909,1190 0.345,1191 266,1192 733.853,1193 292.196,1194 679.912,1195 947.7,1196 648,1197 317,1198 702.967,1199 344.309,1200 703.382,1201 1044.69,1202 664,1203 4.658}
{0 CHEMBL511115,1 1.433,2 9.36,3 4.149,4 17.212,5 93,6 6.869,7 0.222,8 3.989,9 4.094,10 3.475,11 3.516,12 5.051,13 3.483,14 4.592,15 4.757,16 3.846,17 3.961,18 5.598,19 3.894,20 4.941,21 5.156,22 3.95,23 4.137,24 5.89,25 4.038,26 4.964,27 5.189,28 3.883,29 4.101,30 6.017,31 4.001,32 4.883,33 5.107,34 3.801,35 4.036,36 5.917,37 3.933,38 4.802,39 5.023,40 3.805,41 3.95,42 5.828,43 3.863,44 4.746,45 4.947,46 3.736,47 3.907,48 5.927,49 3.814,50 4.799,51 5.043,52 3.502,53 3.897,54 5.746,55 3.737,56 0.02,57 0.656,58 11.254,59 5.295,60 12.707,61 6.735,62 0.223,63 1.11,64 21.856,65 9.247,66 47.975,67 12.176,68 0.38,69 1.468,70 32.338,71 12.157,72 53.431,73 16.642,74 0.429,75 1.478,76 33.693,77 11.61,78 81.799,79 16.077,80 0.392,81 1.38,82 30.952,83 10.706,84 81.602,85 14.86,86 0.318,87 1.252,88 28.411,89 10.113,90 55.443,91 13.906,92 0.449,93 1.178,94 26.938,95 9.615,96 91.761,97 12.975,98 0.278,99 1.248,100 28.305,101 10.221,102 57.507,103 14.484,104 26,105 38,106 0.245,107 0.52,108 0.678,109 0.811,110 0.811,111 0.811,112 3.268,113 1.008,114 -3.8,115 -3.76,116 -3.57,117 40,119 8,120 1,121 1,122 1,124 1,128 3,129 1,130 2,138 2,143 1,144 1,145 13,146 1,148 6,150 1,151 1,152 15,153 2,155 1,156 11,158 2,159 11,160 2,163 9,166 2,167 9,168 1,171 8,174 1,175 10,176 1,178 1,179 7,180 1,182 1,183 9,184 2,186 2,187 5,189 1,190 2,191 8,192 1,195 4,196 1,199 1,200 8,202 1,203 2,204 1,205 1,208 6,210 914,211 16.955,212 16.955,213 16.955,214 16.955,215 16.955,216 15.995,217 19.657,218 9.721,219 17.254,220 13.11,221 13.11,222 13.11,223 13.11,224 13.11,225 11.483,226 23.269,227 4.351,228 13.525,229 4.211,230 2.595,231 1.67,232 0.895,233 0.895,234 0.895,235 3.944,238 1,239 1,240 492,241 3.391,243 71.441,244 171.953,246 1.523,247 31.669,249 1,250 1,251 1,252 1,253 1,254 1,255 1,256 1,257 1,258 54.5,259 234,260 4.651,261 4.416,262 7.638,263 4.498,264 3.5,265 4.058,266 2.517,267 13.939,268 3.492,269 4.168,270 3.723,271 6.178,272 3.81,273 2.871,274 3.537,275 2.341,276 9.2,277 2.714,278 3.859,279 3.404,280 5.907,281 3.673,282 2.676,283 3.016,284 0.86,285 8.111,286 2.631,287 3.505,288 3.207,289 5.334,290 3.411,291 2.45,292 2.533,293 0.86,294 6.911,295 2.352,296 3.307,297 2.713,298 5.057,299 2.731,300 1.752,301 2.316,303 5.315,304 1.708,305 2.928,306 2.13,307 4.334,308 2.5,309 1.563,310 1.982,312 4.072,313 1.454,314 2.865,315 1.983,316 3.866,317 2.306,318 1.303,319 1.582,320 3.019,321 1.286,322 2.498,323 1.745,324 3.802,325 2.086,326 1.111,327 1.178,328 2.494,329 1.078,330 2.19,331 1.249,332 3.417,333 2,334 1,335 1,336 2.372,337 1,338 2,339 1.041,340 3.359,341 1.618,342 0.618,343 0.893,344 1.372,345 0.618,346 1.759,347 1,348 3.179,349 1.507,350 0.618,351 0.655,352 1.087,353 0.543,354 1.618,355 0.618,356 3,357 1.42,358 0.476,359 0.618,360 0.742,361 0.446,362 1.057,363 0.569,364 2.849,365 0.788,366 -0.11,367 -0.122,368 -0.221,369 -0.097,370 0.924,371 0.291,372 2.509,373 0.676,374 -0.301,375 -0.354,376 -0.651,377 -0.291,378 0.645,379 0.231,380 2.445,381 0.264,382 -0.69,383 -0.825,384 -1.574,385 -0.645,386 11.733,387 0.469,388 0.596,389 0.024,390 26.75,391 1.07,392 11.5,393 0.46,394 15.25,395 0.61,396 25.409,397 1.016,398 28.467,399 0.569,400 18.976,401 0.759,402 4.451,403 0.178,404 7.624,405 0.305,406 0.134,407 0.043,408 0.256,410 0.786,411 1.208,412 0.859,413 1.19,414 0.61,415 1.062,416 0.762,417 1.093,418 0.906,419 1.112,420 0.408,421 1.05,422 0.881,423 1.086,424 0.953,425 1.073,426 0.708,427 1.036,428 1.184,429 1.009,430 1.065,431 0.971,432 1.267,433 0.991,434 1.164,435 1.01,436 1.103,437 0.99,438 1.328,439 1.023,440 1.026,441 1.055,442 0.951,443 1.043,444 0.667,445 0.993,446 1.143,447 1.059,448 1.111,449 1.088,450 0.587,451 1.101,452 0.882,453 1.209,454 1.144,455 1.208,456 0.934,457 1.222,458 6,459 0.104,460 3.556,461 1.597,462 1.342,463 1.153,464 0.764,465 0.339,466 0.192,467 0.172,468 6462,469 16896,470 2.028,471 50,472 12,473 7,476 1,477 1,478 4,480 1.685,481 1.887,482 3.209,483 -0.356,485 1,487 71.658,488 1.433,489 3.049,490 3.974,491 4.749,492 4.749,493 4.749,494 2.695,495 4.084,496 4.612,497 3.375,498 1012.51,499 8.003,500 12061.2,502 1,504 1,505 282.193,506 1.571,507 4.56,508 0.222,509 0.012,510 0.094,511 0.04,512 0.036,513 0.034,514 0.022,515 0.011,516 0.008,517 0.011,518 0.491,519 0.33,520 1,521 0.976,522 119.245,523 -0.034,524 -0.007,525 0.038,526 0.002,527 0.02,528 0.029,529 0.065,530 -0.003,531 0.022,532 -0.004,533 0.145,535 0.023,536 -0.08,537 0.005,538 -0.048,539 -0.002,540 -0.029,541 -0.146,542 -0.004,543 -0.079,544 0.009,545 -0.164,546 -0.018,547 -0.156,548 0.014,549 -0.122,550 -0.008,551 -0.22,552 -0.049,553 -0.021,554 -0.053,555 0.029,556 -0.049,557 0.052,558 -0.009,559 -0.009,560 -0.048,561 -0.119,562 -0.085,563 0.246,564 -0.123,565 -0.08,566 -0.225,567 -0.195,568 -0.219,569 -0.059,570 -0.228,571 2.425,572 4.202,573 0.68,574 22.307,575 1,576 1.126,577 2.567,578 6.589,579 0.639,580 3.332,581 3.664,582 3.951,583 4.143,584 4.331,585 4.522,586 4.615,587 4.511,588 4.554,589 4.635,590 5.731,591 0.604,592 343.46,593 3.332,594 4.875,595 5.733,596 6.616,597 7.495,598 8.386,599 9.273,600 10.168,601 11.059,602 11.957,603 2,609 1,613 3,617 3,618 6,627 2,629 50,630 8,631 1,632 27,633 52,634 20,635 6,636 3,637 3,639 3,640 3,643 1,644 1,645 9,646 1,647 9,648 1,649 7,650 12,651 1,652 1,656 1,658 1,660 1,663 25,664 5,665 1,666 5,668 1,669 1,670 4,675 1,676 2,678 1,680 1,685 1,687 3,690 1,693 25,696 1,697 8,699 2,701 2,703 1,704 1,706 1,707 1,709 8,711 1,712 1,714 2,716 13.25,717 9.067,718 5.681,719 3.329,720 1.344,721 1.194,722 0.9,723 5.539,724 8.276,725 3.526,726 3.98,727 4.469,728 4.893,729 5.33,730 5.631,731 5.949,732 6.007,733 6.013,734 6.229,735 1,736 40,737 9.339,738 4.058,739 7.863,740 17.981,741 15.379,742 2.363,743 59.083,746 1,747 282.506,748 90.772,749 31.059,751 89.828,754 90.772,755 372.334,756 31.059,757 10.883,758 20.276,759 28.429,760 85.34,761 66.732,763 282.506,765 282.506,766 121.831,767 89.828,769 235.422,770 136.912,773 51.336,774 70.496,777 282.506,778 120.887,779 90.772,781 282.506,782 34.859,783 39.312,784 16.602,785 120.887,786 282.506,787 120.887,788 90.772,789 0.58,790 0.355,791 0.179,792 0.088,793 18,794 8,795 0.096,796 5,798 1,799 3.588,800 207.224,802 17,803 108.096,806 18.075,807 7.661,808 3.77,810 120.887,811 5.716,815 2.289,816 42.683,817 494.166,818 33,822 11.202,824 -0.758,825 50.014,826 56.318,827 0.254,828 0.54,829 0.704,830 0.841,831 0.841,832 0.841,833 4.808,834 1.111,835 5.753,836 3.019,837 4.344,838 4.663,839 3.226,840 6.629,841 4.289,842 5.997,843 1,844 7.367,845 2.494,846 4.111,847 4.494,848 2.243,849 8.007,850 4.046,851 7.315,852 0.618,853 9.101,854 2.372,855 6.052,856 6.71,857 4.788,858 11.04,859 5.964,860 8.671,861 0.618,862 10.914,863 1.372,864 6.686,865 7.383,866 4.112,867 13.288,868 6.599,869 10.064,870 0.476,871 12.781,872 1.087,873 8.121,874 9.1,875 6.539,876 15.983,877 8.022,878 11.482,879 -0.11,880 14.687,881 0.742,882 9.107,883 10.132,884 5.889,885 18.503,886 9.014,887 12.921,888 -0.301,889 16.622,890 -0.221,891 10.385,892 11.668,893 8.334,894 21.14,895 10.289,896 3.5,897 -0.69,898 18.579,899 -0.651,900 11.516,901 12.867,902 7.625,903 23.74,904 11.426,905 2.871,906 13.939,907 20.552,908 -1.574,909 12.752,910 14.326,911 10.144,912 26.37,913 12.665,914 2.676,915 9.2,916 22.538,917 4.058,918 13.944,919 15.611,920 9.342,921 28.993,922 13.862,923 2.45,924 8.111,925 24.535,926 3.537,927 15.175,928 17.035,929 11.961,930 31.625,931 15.097,932 1.752,933 6.911,934 26.539,935 3.016,936 16.394,937 18.366,938 11.051,939 34.256,940 16.321,941 1.563,942 5.315,943 28.549,944 2.533,945 17.63,946 19.774,947 13.782,948 36.889,949 17.559,950 1.303,951 4.072,952 30.565,953 2.316,954 18.863,955 21.131,956 12.755,957 39.522,958 18.796,959 6408,960 10447,961 17.682,962 31.961,963 41.366,964 42.943,965 42.657,966 39.92,967 39.874,968 46.736,969 13.155,970 117.27,971 38.646,972 5.651,973 6.416,974 7.252,975 5.588,976 5.5,977 7.058,978 5.034,979 21.394,980 5.492,981 12.825,982 1.532,983 1.59,984 1.58,985 1.479,986 1.477,987 1.731,988 0.487,989 4.343,990 1.431,991 4.03,992 4.056,993 3.969,994 3.952,995 7.474,996 3.952,997 3.858,998 3.905,999 3.745,1000 3.736,1001 6.817,1002 3.728,1003 3.764,1004 3.796,1005 3.657,1006 3.66,1007 6.351,1008 3.654,1009 3.438,1010 3.455,1011 3.392,1012 3.251,1013 4.917,1014 3.278,1015 3.206,1016 3.274,1017 3.019,1018 2.941,1019 4.49,1020 2.931,1021 3.111,1022 3.206,1023 2.959,1024 2.923,1025 4.35,1026 2.91,1027 3.037,1028 3.068,1029 2.869,1030 2.795,1031 4.122,1032 2.804,1033 2.996,1034 3.044,1035 2.866,1036 2.721,1037 3.956,1038 2.778,1039 0.172,1040 0.164,1041 0.283,1042 0.167,1043 0.13,1044 4.651,1045 0.15,1046 4.416,1047 0.093,1048 7.638,1049 0.516,1050 4.498,1051 0.129,1052 3.5,1053 4.058,1054 2.517,1055 13.939,1056 3.492,1057 1.987,1058 1.963,1059 2.117,1060 2.085,1061 1.494,1062 2.096,1063 1.774,1064 1.746,1065 1.918,1066 1.919,1067 1.211,1068 1.917,1069 1.577,1070 1.507,1071 1.86,1072 1.751,1073 1.182,1074 1.793,1075 1.543,1076 1.492,1077 1.783,1078 1.722,1079 1.066,1080 1.742,1081 1.339,1082 1.315,1083 1.577,1084 1.575,1085 0.825,1086 1.561,1087 1.158,1088 1.08,1089 1.513,1090 1.453,1091 0.708,1092 1.454,1093 1.153,1094 1.064,1095 1.441,1096 1.376,1097 0.563,1098 1.429,1099 0.867,1100 0.838,1101 1.114,1102 1.212,1103 0.175,1104 1.156,1105 4.007,1107 5.333,1108 2.398,1109 6.868,1110 4.443,1111 8.496,1112 6.26,1113 10.174,1114 1.62,1118 9.204,1119 6.678,1121 11.577,1123 -0.126,1125 -0.633,1126 9.852,1127 2.462,1128 30.202,1129 71.658,1130 152.444,1131 198.683,1132 237.438,1133 237.438,1134 237.438,1135 62.75,1136 6.931,1137 79.55,1138 79.55,1139 17,1140 12.482,1141 3.17,1142 2.807,1143 41.557,1144 84,1145 84,1146 0.244,1147 185.652,1148 336.9,1149 444.751,1150 8069,1152 17.864,1153 0.715,1154 0.587,1155 17.864,1156 14.663,1157 12.076,1158 0.447,1159 0.336,1160 8.962,1161 11.619,1162 8.767,1163 7.219,1164 12.076,1165 9.07,1166 10.622,1167 0.28,1168 0.189,1169 10.622,1170 7.196,1171 9.314,1172 0.183,1173 0.112,1174 9.314,1175 5.714,1176 7.315,1177 0.118,1178 0.066,1179 7.315,1180 4.075,1181 5.236,1182 0.07,1183 0.034,1184 5.236,1185 2.527,1186 0.373,1187 75.894,1188 0.238,1189 23.974,1190 0.696,1191 130,1192 379.001,1193 142.208,1194 357.293,1195 472.67,1196 332,1197 154,1198 331.984,1199 165.574,1200 333.882,1201 485.17,1202 313,1203 6.509}
{0 CHEMBL63,1 1.431,2 7.9,3 2.35,4 5.522,5 76.163,6 6.717,7 0.273,8 3.804,9 3.919,10 3.287,11 3.31,12 4.776,13 3.279,14 4.41,15 4.585,16 3.634,17 3.726,18 5.335,19 3.665,20 4.681,21 4.906,22 3.579,23 3.789,24 5.579,25 3.682,26 4.553,27 4.789,28 3.478,29 3.69,30 5.443,31 3.589,32 4.482,33 4.688,34 3.496,35 3.694,36 5.391,37 3.599,38 4.529,39 4.742,40 3.456,41 3.642,42 5.448,43 3.549,44 4.461,45 4.679,46 3.258,47 3.588,48 5.351,49 3.447,50 4.516,51 4.813,52 2.957,53 3.54,54 5.204,55 3.304,56 0.015,57 0.558,58 9.63,59 4.203,60 5.606,61 5.561,62 0.183,63 0.921,64 18.682,65 7.156,66 19.521,67 9.716,68 0.386,69 1.071,70 25.486,71 8.765,72 36.972,73 12.183,74 0.276,75 0.946,76 22.335,77 7.857,78 34.743,79 10.899,80 0.183,81 0.936,82 20.347,83 7.492,84 24.521,85 10.347,86 0.329,87 0.913,88 21.966,89 7.454,90 32.154,91 10.181,92 0.398,93 0.864,94 20.38,95 7.247,96 36.085,97 10.039,98 0.241,99 0.915,100 21.227,101 7.713,102 28.274,103 11.641,104 6,105 30,106 0.258,107 0.565,108 0.773,109 0.838,110 0.838,111 0.838,112 3.058,113 1.005,114 -3.32,115 -3.31,116 -3.17,117 39,119 5,120 1,122 1,123 1,124 1,128 3,129 1,130 2,138 1,145 8,148 5,150 1,151 2,152 8,155 1,156 7,158 1,159 4,163 4,166 2,167 3,171 6,174 1,175 6,179 4,181 1,183 8,186 1,189 1,191 6,194 1,199 2,200 2,203 2,207 2,210 496,211 13.748,212 13.748,213 13.748,214 13.748,215 13.748,216 12.894,217 17.311,218 8.164,219 14.063,220 10.819,221 10.819,222 10.819,223 10.819,224 10.819,225 9.381,226 19.324,227 3.825,228 11.237,229 3.927,230 2.219,231 1.061,232 0.701,233 0.701,234 0.701,235 3.736,237 1,238 1,239 1,240 340,241 2.236,243 108.808,244 64.714,246 1.22,247 18.565,248 1,249 1,250 1,251 1,252 1,253 1,254 1,255 1,256 1,257 1,258 43.5,259 158,260 4.322,261 3.631,262 6.305,263 3.99,264 3.016,265 3.941,266 1.907,267 9.637,268 2.949,269 3.923,270 3.287,271 6.025,272 3.704,273 2.746,274 3.147,275 0.86,276 8.689,277 2.61,278 3.544,279 2.909,280 5.331,281 3.415,282 2.45,283 2.739,284 0.86,285 6.9,286 2.359,287 3.457,288 2.694,289 5.046,290 3.151,291 2.152,292 2.515,293 0.149,294 6.036,295 2.133,296 2.866,297 1.968,298 4.365,299 2.502,300 1.57,301 1.982,303 4.147,304 1.454,305 2.571,306 1.643,307 4.11,308 2.287,309 1.286,310 1.544,312 3.479,313 1.278,314 2.19,315 1.26,316 3.417,317 2.086,318 1.11,319 1.177,320 2.494,321 1.078,322 1.808,323 1.13,324 3.27,325 1.657,326 0.721,327 0.754,328 1.69,329 0.671,330 1.659,331 0.935,332 3,333 1.618,334 0.618,335 0.618,336 1.372,337 0.618,338 1.618,339 0.618,340 2.975,341 1.45,342 0.553,343 0.607,344 1.021,345 0.491,346 1.055,347 0.525,348 2.615,349 0.786,350 -0.111,351 -0.124,352 -0.231,353 -0.099,354 0.826,355 0.276,356 2.424,357 0.47,358 -0.523,359 -0.626,360 -1.285,361 -0.501,362 0.632,363 -0.242,364 2.142,365 0.241,366 -0.81,367 -1.063,368 -1.897,369 -0.849,370 0.388,371 -0.689,372 1.659,373 0.023,374 -0.944,375 -1.196,376 -2.671,377 -0.909,378 -0.241,379 -0.863,380 1.6,381 -0.375,382 -1.317,383 -1.446,384 -3.607,385 -1.225,386 9.4,387 0.47,388 0.414,389 0.021,390 21.25,391 1.063,392 8.5,393 0.425,394 12.75,395 0.638,396 17.483,397 0.874,398 23,399 0.561,400 13.195,401 0.66,402 3.82,403 0.191,404 5.939,405 0.297,406 0.089,408 0.319,410 0.781,411 1.324,412 0.862,413 1.232,414 0.572,415 1.08,416 0.979,417 1.135,418 0.969,419 1.112,420 0.626,421 1.048,422 1.136,423 1.024,424 1.059,425 1.052,426 1.044,427 1.044,428 1.167,429 0.894,430 0.935,431 0.876,432 1.038,433 0.874,434 1.058,435 1.153,436 1.058,437 1.144,438 0.723,439 1.107,440 1.39,441 1.028,442 1.132,443 1.05,444 1.109,445 1.054,446 1.069,447 1.083,448 1.22,449 1.135,450 0.828,451 1.204,452 0.277,453 1.173,454 0.944,455 1.171,456 0.353,457 1.171,458 4,459 0.02,460 2,461 1.007,462 0.938,463 0.552,464 0.399,465 0.208,466 0.132,467 0.04,468 3742,469 8624,470 2.107,471 51.2,472 4,473 9,476 1,477 2,478 5,480 1.621,481 2,482 3.017,483 -0.32,485 1,486 1,487 58.666,488 1.431,489 3.138,490 4.296,491 4.656,492 4.656,493 4.656,494 2.466,495 3.922,496 4.293,497 3.13,498 594.783,499 7.352,500 6087.74,501 1,502 1,504 1,505 219.66,506 1.295,507 4.266,508 0.182,509 0.01,510 0.067,511 0.039,512 0.038,513 0.022,514 0.017,515 0.012,516 0.011,517 0.006,518 0.402,519 0.67,520 1,521 0.764,522 87.925,523 -0.017,524 -0.076,525 0.064,526 -0.046,527 0.012,528 0.015,529 -0.011,530 -0.021,531 -0.004,532 -0.038,533 0.053,534 -0.023,535 -0.011,536 -0.044,537 -0.066,538 -0.068,539 -0.046,540 -0.073,541 -0.106,542 0.067,543 0.051,544 0.114,545 -0.097,546 0.108,547 -0.095,548 -0.112,549 -0.093,550 -0.112,551 -0.045,552 -0.103,553 -0.114,554 -0.047,555 -0.119,556 -0.065,557 -0.094,558 -0.092,559 0.02,560 -0.101,561 -0.24,562 -0.133,563 0.029,564 -0.222,565 0.181,566 -0.241,567 -0.044,568 -0.205,569 0.155,570 -0.171,571 1.538,572 4.346,573 0.8,574 14.32,575 0.998,576 1.129,577 2.094,578 4.384,579 0.634,580 3.135,581 3.434,582 3.689,583 3.932,584 4.025,585 4.127,586 4.22,587 4.263,588 4.277,589 4.111,590 4.945,591 0.596,592 275.38,593 3.135,594 4.654,595 5.493,596 6.358,597 7.215,598 8.084,599 8.948,600 9.819,601 10.686,602 11.558,603 2.4,608 1,613 3,617 3,618 6,627 2,629 41,630 7,631 1,632 22,633 43,634 16,635 6,636 3,637 3,639 3,640 3,645 6,646 1,647 6,649 7,650 9,651 1,652 1,656 1,658 1,659 1,660 1,663 21,664 4,665 1,666 4,668 1,669 1,670 3,675 2,676 1,679 1,687 3,690 1,693 20,697 6,698 1,699 2,701 2,709 7.3,712 1,714 2,716 10,717 7.417,718 4.472,719 2.667,720 1.333,721 1.205,722 0.953,723 4.154,724 7.836,725 3.296,726 3.773,727 4.223,728 4.69,729 5.135,730 5.327,731 5.555,732 5.719,733 5.876,734 5.752,735 1,736 26,737 7.447,738 3.165,739 7.642,740 14.637,741 12.391,742 2.142,743 42.833,744 0.001,747 235.422,748 72.467,749 18.011,751 47.145,754 72.467,755 282.567,756 18.011,757 10.883,758 32.789,759 28.429,760 29.85,761 35.672,763 235.422,765 235.422,766 90.478,767 47.145,769 176.567,770 106,773 32.789,774 57.689,777 235.422,778 65.155,779 72.467,781 235.422,782 33.155,783 39.312,784 18.011,785 47.145,786 235.422,787 65.155,788 72.467,789 0.573,790 0.336,791 0.183,792 0.088,793 15,794 6,795 0.093,796 4,798 1,799 3.294,800 149.183,802 16,803 82.439,806 13.748,807 6.044,808 3.113,810 65.155,811 6.024,815 2.742,816 18.011,817 373.045,818 26,822 11.346,824 0.129,825 40.92,826 46.279,827 0.267,828 0.586,829 0.802,830 0.869,831 0.869,832 0.869,833 4.538,834 0.721,835 5.46,836 2.494,837 4.111,838 4.454,839 2.303,840 6.232,841 4.042,842 5.681,843 0.618,844 6.991,845 1.69,846 3.611,847 4.182,848 1.593,849 7.034,850 3.523,851 6.957,852 0.553,853 8.619,854 1.372,855 5.666,856 6.462,857 3.017,858 10.103,859 5.535,860 8.266,861 -0.111,862 10.303,863 1.021,864 6.019,865 7.018,866 3.032,867 11.731,868 5.86,869 9.608,870 -0.523,871 12.024,872 -0.231,873 7.489,874 8.795,875 4.066,876 14.28,877 7.299,878 10.97,879 -0.81,880 13.77,881 -1.285,882 8.223,883 9.725,884 4.409,885 16.246,886 8.003,887 12.347,888 -0.944,889 15.532,890 -1.897,891 9.46,892 11.304,893 5.257,894 18.61,895 9.214,896 3.016,897 -1.317,898 17.308,899 -2.671,900 10.374,901 12.426,902 5.75,903 20.727,904 10.099,905 2.746,906 9.637,907 19.093,908 -3.607,909 11.515,910 13.912,911 6.503,912 23.019,913 11.216,914 2.45,915 8.689,916 20.886,917 3.941,918 12.515,919 15.139,920 7.068,921 25.205,922 12.19,923 2.152,924 6.9,925 22.684,926 3.147,927 13.618,928 16.575,929 7.771,930 27.47,931 13.271,932 1.57,933 6.036,934 24.488,935 2.739,936 14.661,937 17.863,938 8.374,939 29.688,940 14.29,941 1.286,942 4.147,943 26.296,944 2.515,945 15.751,946 19.271,947 9.051,948 31.943,949 15.359,950 1.11,951 3.479,952 28.107,953 1.982,954 16.815,955 20.593,956 9.674,957 34.179,958 16.401,959 3647,960 5625,961 14.909,962 25.983,963 32.278,964 33.198,965 33.14,966 32.445,967 32.446,968 38.046,969 7.552,970 90.929,971 31.281,972 5.261,973 5.631,974 5.918,975 5.082,976 5.016,977 6.941,978 3.306,979 16.107,980 4.949,981 7.798,982 1.467,983 1.509,984 1.506,985 1.475,986 1.475,987 1.729,988 0.343,989 4.133,990 1.422,991 4.005,992 4.031,993 3.943,994 3.911,995 7.429,996 3.914,997 3.84,998 3.892,999 3.713,1000 3.719,1001 4.919,1002 3.707,1003 3.703,1004 3.74,1005 3.616,1006 3.54,1007 4.491,1008 3.553,1009 3.243,1010 3.306,1011 3.084,1012 2.965,1013 4.372,1014 2.981,1015 3.014,1016 3.055,1017 2.886,1018 2.799,1019 4.136,1020 2.809,1021 2.912,1022 2.979,1023 2.759,1024 2.71,1025 3.956,1026 2.711,1027 2.869,1028 2.962,1029 2.583,1030 2.671,1031 3.521,1032 2.635,1033 2.803,1034 2.907,1035 2.578,1036 2.59,1037 3.273,1038 2.571,1039 0.196,1040 0.165,1041 0.287,1042 0.181,1043 0.137,1044 4.322,1045 0.179,1046 3.631,1047 0.087,1048 6.305,1049 0.438,1050 3.99,1051 0.134,1052 3.016,1053 3.941,1054 1.907,1055 9.637,1056 2.949,1057 1.919,1058 1.901,1059 2.022,1060 2.017,1061 1.293,1062 2.017,1063 1.577,1064 1.518,1065 1.86,1066 1.751,1067 1.211,1068 1.793,1069 1.564,1070 1.507,1071 1.799,1072 1.748,1073 1.172,1074 1.766,1075 1.466,1076 1.423,1077 1.69,1078 1.681,1079 0.903,1080 1.664,1081 1.366,1082 1.304,1083 1.574,1084 1.646,1085 0.704,1086 1.645,1087 1.162,1088 1.078,1089 1.545,1090 1.457,1091 0.569,1092 1.49,1093 0.851,1094 0.801,1095 1.114,1096 1.046,1097 0.176,1098 1.068,1099 0.638,1100 0.587,1101 0.883,1102 0.846,1103 0.094,1104 0.859,1105 3.807,1107 5.106,1108 3.045,1109 6.583,1110 5.209,1111 8.145,1112 7.111,1113 9.755,1114 1.664,1119 6.012,1120 2.878,1121 11.481,1123 0.557,1128 24.434,1129 58.666,1130 128.663,1131 176.15,1132 190.905,1133 190.905,1134 190.905,1135 31.901,1136 6.503,1137 47.56,1138 47.56,1139 16,1140 12.1,1141 3,1142 2.322,1143 29.823,1144 58,1145 56,1146 0.253,1147 149.141,1148 264.19,1149 355.664,1150 4783,1152 13.949,1153 0.697,1154 0.593,1155 13.949,1156 11.854,1157 9.758,1158 0.444,1159 0.335,1160 7.267,1161 9.346,1162 7.113,1163 5.866,1164 9.758,1165 7.373,1166 8.566,1167 0.286,1168 0.188,1169 8.566,1170 5.64,1171 7.218,1172 0.185,1173 0.109,1174 7.218,1175 4.232,1176 5.971,1177 0.119,1178 0.061,1179 5.971,1180 3.066,1181 4.12,1182 0.075,1183 0.028,1184 4.12,1185 1.527,1186 0.385,1187 61.513,1188 0.259,1189 19.775,1190 0.727,1191 104,1192 295.539,1193 115.021,1194 273.362,1195 369.91,1196 258,1197 121,1198 265.236,1199 131.746,1200 264.477,1201 386,1202 249,1203 5.569}
{0 CHEMBL74078,1 1.623,2 10.107,3 4.258,4 18.133,5 101.434,6 9.058,7 0.742,8 3.852,9 3.931,10 3.576,11 3.476,12 5.19,13 3.486,14 4.29,15 4.381,16 3.941,17 3.855,18 5.792,19 3.855,20 4.539,21 4.685,22 4.024,23 3.979,24 5.846,25 3.965,26 4.601,27 4.76,28 3.962,29 3.924,30 5.932,31 3.914,32 4.526,33 4.69,34 3.913,35 3.907,36 5.79,37 3.887,38 4.477,39 4.628,40 3.896,41 3.917,42 5.749,43 3.878,44 4.524,45 4.688,46 3.889,47 3.878,48 5.876,49 3.838,50 4.491,51 4.682,52 3.699,53 3.703,54 5.798,55 3.665,56 0.178,57 0.551,58 4.961,59 3.255,60 14.267,61 3.304,62 0.324,63 0.854,64 8.131,65 5.221,66 64.224,67 5.44,68 0.31,69 1.13,70 13.47,71 6.988,72 35.551,73 7.712,74 0.503,75 1.174,76 16.654,77 7.275,78 77.332,79 7.306,80 0.452,81 1.107,82 15.503,83 6.827,84 69.949,85 7.157,86 0.358,87 1.048,88 12.964,89 6.765,90 50.993,91 7.696,92 0.415,93 1.079,94 14.649,95 7.215,96 51.058,97 8.57,98 0.394,99 1.01,100 16.887,101 7.284,102 53.356,103 8.4,104 21,105 44,106 0.277,107 0.531,108 0.69,109 0.839,110 0.871,111 0.871,112 3.375,113 0.81,114 -4.59,115 -4.51,116 -4.25,117 51.2,128 11,129 4,130 1,131 1,132 3,138 1,142 2,143 1,144 1,145 13,146 1,147 1,148 8,150 1,151 1,152 13,153 2,155 1,156 16,158 2,159 10,160 2,163 13,166 2,167 10,168 1,170 1,171 8,174 1,175 16,178 3,179 4,180 1,183 17,184 1,186 3,187 8,189 1,190 1,191 14,192 1,195 11,199 1,200 8,201 2,203 10,204 1,207 2,208 3,209 3,210 1240,211 18.861,212 18.861,213 18.861,214 18.861,215 18.861,216 15.832,217 7.231,218 11.014,219 19.031,220 15.299,221 15.299,222 15.299,223 15.299,224 15.299,225 10.741,226 6.794,227 5.2,228 15.57,229 3.734,230 2.24,231 1.309,232 0.43,233 0.244,234 0.244,235 4.072,238 1,239 1,240 609,241 3.162,244 294.57,245 118.622,246 1.487,247 37.022,249 1,250 1,251 1,252 1,253 0.4,255 1,256 1,257 0.77,258 61.5,259 283,260 4.621,261 3.78,262 6.733,263 4.171,264 3.193,265 4.545,266 2.612,267 11.025,268 3.12,269 4.269,270 3.576,271 6.129,272 3.842,273 2.849,274 3.971,275 1.437,276 8.999,277 2.827,278 4.195,279 3.182,280 5.983,281 3.735,282 2.754,283 3.827,285 8.458,286 2.698,287 3.917,288 2.734,289 5.881,290 3.55,291 2.56,292 3.344,294 8.044,295 2.525,296 3.816,297 2.511,298 5.674,299 3.34,300 2.358,301 3.333,303 7.422,304 2.312,305 3.248,306 2.047,307 4.668,308 2.664,309 1.683,310 2.593,312 4.702,313 1.649,314 3.168,315 1.986,316 4.488,317 2.644,318 1.665,319 2.451,320 4.462,321 1.622,322 2.886,323 1.526,324 3.862,325 2.363,326 1.386,327 2.046,328 3.097,329 1.348,330 2.814,331 1.46,332 3.732,333 2.259,334 1.269,335 1.924,336 2.934,337 1.254,338 2.624,339 1.278,340 3.615,341 2.078,342 1.089,343 1.607,344 2.718,345 1.065,346 2.582,347 1.154,348 3.506,349 2,350 1,351 1.579,352 2.324,353 1,354 2.5,355 1,356 3.433,357 2,358 1,359 1.5,360 2.275,361 1,362 2.242,363 1,364 3.414,365 1.712,366 0.749,367 1.113,368 1.958,369 0.719,370 1.222,371 0.763,372 2.777,373 0.774,374 -0.21,375 -0.29,376 -0.549,377 -0.205,378 1,379 0.448,380 2.591,381 0.532,382 -0.447,383 -0.605,384 -1.167,385 -0.434,386 13.033,387 0.465,388 0.733,389 0.026,390 44.25,391 1.58,392 26.5,393 0.946,394 17.75,395 0.634,396 16.652,397 0.595,398 27.767,399 0.677,400 34.814,401 1.243,402 8.946,403 0.319,404 4.579,405 0.164,406 0.102,408 0.376,410 0.51,411 0.918,412 0.611,413 0.785,414 0.606,415 0.748,416 0.436,417 1.112,418 0.712,419 0.984,420 0.379,421 0.938,422 0.663,423 1.123,424 0.85,425 1.05,426 0.546,427 1.008,428 1.122,429 1.065,430 1.097,431 0.956,432 1.026,433 0.994,434 0.945,435 0.858,436 1.008,437 0.822,438 0.862,439 0.891,440 0.537,441 0.996,442 0.941,443 1.044,444 0.556,445 1.094,446 0.508,447 1.09,448 0.933,449 1.164,450 0.545,451 1.172,452 0.927,453 1.07,454 1.042,455 1.182,456 0.898,457 1.148,458 5.5,459 0.124,460 3.556,461 1.625,462 1.551,463 1.201,464 0.568,465 0.392,466 0.426,467 0.285,468 9089,469 32595,470 2.094,471 31.7,473 11,475 1,476 1,480 1.716,481 1.953,482 3.314,483 -0.323,485 1,487 66.56,488 1.623,489 3.118,490 4.049,491 4.928,492 5.114,493 5.114,494 2.74,495 4.066,496 4.775,497 3.472,498 1312.23,499 8.336,500 16838.5,502 1,504 1,505 219.66,506 1.432,507 4.736,508 0.177,509 0.007,510 0.081,511 0.035,512 0.036,513 0.029,514 0.014,515 0.01,516 0.014,517 0.012,518 0.415,519 0.17,520 1,521 0.845,522 138.589,523 0.113,524 0.095,525 0.024,526 0.111,527 -0.065,528 0.05,529 0.203,530 -0.121,531 -0.022,532 -0.071,533 0.229,534 -0.1,535 -0.018,536 -0.113,537 -0.003,538 -0.107,539 0.037,540 -0.065,541 -0.211,542 -0.05,543 -0.144,544 -0.001,545 -0.148,546 -0.036,547 -0.15,548 0.166,549 -0.077,550 0.135,551 -0.121,552 0.079,553 0.082,554 -0.007,555 -0.078,556 -0.084,557 0.021,558 -0.122,559 0.19,560 -0.114,561 0.007,562 -0.187,563 0.107,564 -0.16,565 -0.047,566 -0.131,567 0.044,568 -0.161,569 -0.022,570 -0.058,571 2.667,572 4.145,573 0.786,574 25.306,575 1.025,576 1.108,577 3.36,578 11.288,579 0.723,580 3.466,581 3.807,582 4.094,583 4.357,584 4.663,585 4.796,586 4.997,587 5.106,588 5.278,589 5.352,590 6.097,591 0.721,592 371.37,593 3.466,594 5.017,595 5.878,596 6.763,597 7.644,598 8.536,599 9.426,600 10.322,601 11.217,602 12.115,603 7.3,610 2,611 1,612 2,613 12,614 2,617 6,618 23,621 1,624 1,629 41,630 26,631 2,632 31,633 44,634 21,635 20,636 4,637 8,638 1,639 4,640 5,649 21,652 3,654 1,656 3,658 1,660 1,663 13,664 6,665 1,666 7,668 3,669 0.75,670 4,672 2,676 4,677 1,685 1,687 3,693 28,696 1,709 9.8,711 1,712 1,715 2,716 14.333,717 7.55,718 6.083,719 2.321,720 4.606,721 1.596,722 0.994,723 4.461,724 12.332,725 3.839,726 4.505,727 5.139,728 5.77,729 6.431,730 6.84,731 7.4,732 7.86,733 8.381,734 8.773,735 0.857,736 47,737 10.298,738 4.523,739 8.143,740 18.861,741 15.466,742 2.643,743 74,746 1,747 141.253,748 136.74,749 39.241,751 118.575,754 136.74,755 259.828,756 39.241,757 5.67,759 104.239,760 114.08,761 31.591,763 129.482,764 50.747,765 141.253,766 175.981,767 118.575,769 141.253,770 67.828,771 50.747,773 16.705,774 120.035,775 39.241,777 141.253,778 157.816,779 136.74,781 141.253,782 23.454,783 118.956,785 152.146,786 141.253,787 157.816,788 136.74,789 0.587,790 0.343,791 0.179,792 0.103,793 22,794 10,795 0.091,796 4,797 1,798 1.091,799 3.866,800 252.821,801 0.091,802 22,803 128.606,806 17.625,807 7.088,808 3.436,809 1.463,810 152.146,811 19.846,812 9.078,815 2.632,816 42.683,817 435.81,818 45.5,820 -0.451,822 33.361,824 -1,825 42.033,826 45.409,827 0.303,828 0.582,829 0.756,830 0.92,831 0.954,832 0.954,833 5.061,834 1.386,835 5.872,836 4.462,837 4.489,838 5.193,839 2.793,840 6.698,841 4.454,842 6.302,843 1.269,844 7.444,845 3.097,846 4.111,847 5.066,848 2.361,849 7.633,850 4.056,851 7.627,852 1.089,853 9.115,854 2.934,855 6.098,856 7.48,857 4.28,858 10.728,859 6.028,860 8.989,861 1,862 10.845,863 2.718,864 6.524,865 8.163,866 4.506,867 12.473,868 6.431,869 10.38,870 1,871 12.611,872 2.324,873 7.994,874 10.051,875 5.993,876 15.084,877 7.887,878 11.792,879 0.749,880 14.401,881 2.275,882 8.783,883 11.123,884 6.556,885 17.17,886 8.653,887 13.222,888 -0.21,889 16.208,890 1.958,891 10.042,892 12.784,893 7.809,894 19.618,895 9.895,896 3.193,897 -0.447,898 18.027,899 -0.549,900 11.005,901 14.056,902 8.548,903 21.861,904 10.834,905 2.849,906 11.025,907 19.855,908 -1.167,909 12.177,910 15.615,911 9.675,912 24.257,913 11.988,914 2.754,915 8.999,916 21.692,917 4.545,918 13.225,919 16.993,920 10.509,921 26.575,922 13.01,923 2.56,924 8.458,925 23.534,926 3.971,927 14.366,928 18.51,929 11.565,930 28.959,931 14.131,932 2.358,933 8.044,934 25.383,935 3.827,936 15.456,937 19.944,938 12.452,939 31.315,940 15.196,941 1.683,942 7.422,943 27.236,944 3.344,945 16.589,946 21.445,947 13.468,948 33.7,949 16.306,950 1.665,951 4.702,952 29.094,953 3.333,954 17.702,955 22.91,956 14.386,957 36.075,958 17.395,959 8766,960 16727,961 20.69,962 29.642,963 47.602,964 49.476,965 48.431,966 47.135,967 47.108,968 67.667,969 8.098,970 136.839,971 46.279,972 5.315,973 5.78,974 6.415,975 5.219,976 5.193,977 7.545,978 4.612,979 18.259,980 5.12,981 14.102,982 1.536,983 1.596,984 1.562,985 1.52,986 1.52,987 2.183,988 0.261,989 4.414,990 1.493,991 4.123,992 4.149,993 4.094,994 4.045,995 7.815,996 4.053,997 3.937,998 3.961,999 3.9,1000 3.846,1001 7.475,1002 3.848,1003 3.869,1004 3.892,1005 3.824,1006 3.771,1007 6.999,1008 3.777,1009 3.497,1010 3.522,1011 3.463,1012 3.284,1013 6.351,1014 3.302,1015 3.402,1016 3.424,1017 3.358,1018 3.085,1019 5.056,1020 3.159,1021 3.189,1022 3.195,1023 3.124,1024 2.956,1025 4.703,1026 2.998,1027 2.99,1028 3.037,1029 2.908,1030 2.845,1031 4.664,1032 2.858,1033 2.854,1034 2.925,1035 2.687,1036 2.735,1037 4.379,1038 2.715,1039 0.149,1040 0.122,1041 0.217,1042 0.135,1043 0.103,1044 4.621,1045 0.147,1046 3.78,1047 0.084,1048 6.733,1049 0.356,1050 4.171,1051 0.101,1052 3.193,1053 4.545,1054 2.612,1055 11.025,1056 3.12,1057 2.065,1058 2.043,1059 2.125,1060 2.161,1061 1.244,1062 2.148,1063 1.902,1064 1.881,1065 1.996,1066 2.039,1067 1.094,1068 2.009,1069 1.834,1070 1.808,1071 1.933,1072 1.949,1073 1.007,1074 1.945,1075 1.369,1076 1.336,1077 1.496,1078 1.652,1079 0.538,1080 1.568,1081 1.205,1082 1.184,1083 1.281,1084 1.522,1085 0.314,1086 1.488,1087 1.065,1088 1.05,1089 1.204,1090 1.34,1091 0.218,1092 1.288,1093 0.957,1094 0.918,1095 1.181,1096 1.131,1097 0.213,1098 1.144,1099 0.886,1100 0.821,1101 1.141,1102 1.062,1103 0.151,1104 1.107,1105 4.143,1107 5.476,1109 7.015,1111 8.643,1113 10.319,1118 9.072,1128 29.557,1129 66.56,1130 127.831,1131 165.996,1132 202.05,1133 209.66,1134 209.66,1135 53.164,1136 7.726,1137 108.9,1138 108.9,1139 24,1140 12.639,1141 4.755,1142 3.954,1143 42.175,1144 100,1145 110,1146 0.206,1147 180.948,1148 312.66,1149 433.272,1150 23097,1152 19.673,1153 0.703,1154 0.516,1155 19.673,1156 14.442,1157 13.525,1158 0.436,1159 0.27,1160 8.267,1161 13.007,1162 8.125,1163 6.722,1164 13.525,1165 8.371,1166 12.453,1167 0.283,1168 0.139,1169 12.453,1170 6.121,1171 10.428,1172 0.177,1173 0.074,1174 10.428,1175 4.346,1176 8.573,1177 0.111,1178 0.039,1179 8.573,1180 2.985,1181 7.347,1182 0.07,1183 0.02,1184 7.347,1185 2.122,1186 0.316,1187 85.065,1188 0.22,1189 26.303,1190 0.588,1191 150,1192 514.292,1193 164.379,1194 499.321,1195 668.86,1196 460,1197 178,1198 492.313,1199 191.665,1200 495.328,1201 719.75,1202 465,1203 7.31}
{0 CHEMBL95715,1 1.464,2 9.677,3 5.282,4 27.894,5 115.282,6 7.128,7 0.486,8 4.184,9 4.286,10 3.723,11 3.717,12 5.216,13 3.697,14 4.712,15 4.881,16 3.994,17 4.035,18 5.697,19 3.99,20 4.892,21 5.091,22 4.115,23 4.115,24 5.922,25 4.078,26 4.884,27 5.075,28 4.102,29 4.145,30 5.931,31 4.103,32 4.888,33 5.057,34 4.172,35 4.259,36 5.915,37 4.197,38 5.017,39 5.197,40 4.191,41 4.322,42 5.994,43 4.245,44 5.121,45 5.336,46 4.182,47 4.285,48 6.081,49 4.212,50 5.078,51 5.271,52 4.042,53 4.231,54 6.033,55 4.14,56 0.019,57 0.806,58 12.967,59 5.976,60 9.287,61 7.553,62 0.203,63 1.268,64 24.309,65 9.493,66 27.335,67 12.387,68 0.394,69 1.472,70 30.413,71 10.507,72 44.387,73 14.148,74 0.53,75 1.481,76 30.131,77 10.287,78 50.626,79 13.747,80 0.367,81 1.54,82 28.648,83 11.724,84 38.109,85 15.57,86 0.204,87 1.723,88 32.763,89 13.263,90 37.212,91 17.71,92 0.465,93 1.804,94 38.66,95 13.538,96 54.356,97 18.338,98 0.703,99 1.683,100 37.338,101 13.06,102 61.187,103 17.088,104 14,105 50,106 0.238,107 0.548,108 0.748,109 0.775,110 0.775,111 0.775,112 3.473,113 0.953,114 -4.4,115 -4.33,116 -4.08,117 42.4,118 1,119 5,120 2,122 1,123 2,128 5,129 2,130 4,132 2,134 1,145 10,147 1,148 13,151 1,152 5,156 14,157 1,158 1,159 5,162 1,163 4,164 1,166 1,167 10,170 4,171 6,175 19,179 6,181 1,182 2,183 10,186 2,187 12,190 3,191 8,194 2,195 8,200 8,203 2,205 2,207 1,208 12,210 1734,211 21.392,212 21.392,213 21.392,214 21.392,215 21.392,216 19.474,217 19.497,218 12.367,219 21.946,220 17.191,221 17.191,222 17.191,223 17.191,224 17.191,225 14.006,226 19.054,227 5.794,228 18.034,229 4.419,230 2.51,231 1.273,232 1.11,233 1.11,234 1.11,235 4.166,238 1,239 1,240 663,241 3.391,242 113.119,244 252.836,245 134.148,246 1.451,247 29.583,250 1,251 1,252 0.83,253 1,254 1,255 1,256 1,257 0.98,258 67,259 300,260 4.645,261 3.294,262 6.748,263 4.19,264 3.215,265 4.586,266 0.86,267 11.094,268 3.133,269 4.224,270 3.104,271 6.081,272 3.808,273 2.849,274 3.881,275 0.86,276 8.874,277 2.731,278 3.975,279 2.916,280 5.795,281 3.654,282 2.674,283 3.496,284 0.86,285 8.046,286 2.635,287 3.679,288 2.823,289 5.519,290 3.649,291 2.667,292 3.011,294 7.425,295 2.624,296 3.671,297 2.651,298 5.504,299 3.528,300 2.574,301 2.83,303 7.4,304 2.428,305 3.587,306 2.464,307 5.394,308 3.217,309 2.264,310 2.733,312 6.936,313 2.15,314 3.471,315 2.428,316 5.255,317 3.046,318 2.091,319 2.643,320 6.492,321 1.99,322 3.331,323 2.249,324 4.991,325 2.973,326 2.057,327 2.523,328 5.973,329 1.871,330 3.056,331 1.959,332 4.682,333 2.609,334 1.649,335 2.278,336 4.847,337 1.577,338 2.546,339 1.479,340 4.119,341 2.095,342 1.178,343 1.563,344 3.263,345 1.073,346 1.943,347 1.252,348 3.38,349 1.769,350 0.862,351 0.914,352 2.02,353 0.772,354 1.898,355 1.161,356 3.331,357 1.711,358 0.79,359 0.853,360 1.872,361 0.718,362 1.894,363 0.95,364 3.307,365 1.618,366 0.689,367 0.8,368 1.379,369 0.634,370 1.518,371 0.585,372 2.814,373 1.294,374 0.362,375 0.409,376 0.527,377 0.335,378 1.144,379 0.179,380 2.73,381 0.764,382 -0.174,383 -0.208,384 -0.325,385 -0.156,386 14.633,387 0.472,388 0.721,389 0.023,390 38.25,391 1.234,392 18,393 0.581,394 20.25,395 0.653,396 28.991,397 0.935,398 33.967,399 0.576,400 28.713,401 0.926,402 6.777,403 0.219,404 8.346,405 0.269,406 0.091,408 0.376,410 0.875,411 1.252,412 0.811,413 1.142,414 0.885,415 0.995,416 1.128,417 1.148,418 0.926,419 1.061,420 0.754,421 0.981,422 1.206,423 1.044,424 0.857,425 0.896,426 0.975,427 0.826,428 1.302,429 0.868,430 0.978,431 0.788,432 1.137,433 0.812,434 0.775,435 1.054,436 0.924,437 1.054,438 0.95,439 1.024,440 0.87,441 1.282,442 1.027,443 1.265,444 0.782,445 1.187,446 1.162,447 1.012,448 1.005,449 1.028,450 1.053,451 0.989,452 1.47,453 1.109,454 1.273,455 1.097,456 1.438,457 1.15,458 7,459 0.14,460 3,461 1.882,462 2.132,463 1.049,464 0.819,465 0.568,466 0.358,467 0.272,468 12665,469 28051,470 2.16,471 47.5,472 11,473 12,476 1,477 2,478 2,480 1.747,481 2.044,482 3.258,483 -0.393,487 86.374,488 1.464,489 3.373,490 4.609,491 4.772,492 4.772,493 4.772,494 2.667,495 4.285,496 4.921,497 3.471,498 1613.8,499 8.656,500 22799.7,505 347.076,506 1.332,507 4.896,508 0.2,509 0.005,510 0.068,511 0.038,512 0.044,513 0.02,514 0.016,515 0.011,516 0.009,517 0.007,518 0.418,519 0.17,520 0.88,521 0.741,522 158.487,523 -0.031,524 -0.099,525 0.068,526 -0.035,527 -0.037,528 0.021,529 -0.061,530 -0.09,531 0.031,532 -0.038,533 0.087,535 -0.003,536 -0.006,537 0.144,538 0.077,539 0.09,540 0.127,541 -0.061,542 0.204,543 0.023,544 0.18,545 -0.032,546 0.129,547 0.11,548 0.026,549 0.004,550 -0.012,551 0.023,552 -0.026,553 -0.003,554 -0.229,555 -0.097,556 -0.232,557 0.001,558 -0.189,559 -0.028,560 0.003,561 -0.007,562 -0.06,563 -0.025,564 -0.03,565 -0.101,566 -0.123,567 -0.257,568 -0.118,569 -0.192,570 -0.202,571 1.6,572 4.252,573 0.71,574 31.607,575 1,576 1.123,577 3.167,578 10.027,579 0.656,580 3.584,581 3.932,582 4.143,583 4.419,584 4.736,585 4.92,586 5.1,587 5.257,588 5.384,589 5.407,590 6.368,591 0.623,592 420.55,593 3.584,594 5.142,595 6.009,596 6.901,597 7.785,598 8.683,599 9.575,600 10.476,601 11.372,602 12.275,603 3.4,610 2,612 2,613 5,614 2,617 7,618 17,626 1,627 3,629 59,630 17,631 2,632 35,633 63,634 25,635 14,636 7,637 5,639 5,640 6,642 1,645 4,646 2,647 5,649 14,650 11,651 2,663 28,664 6,665 1,666 6,668 2,669 0.8,670 4,673 1,674 2,676 3,677 1,687 4,690 2,693 31,696 1,697 7,699 3,701 2,709 6.8,711 1,714 3,716 15.167,717 11.183,718 6.778,719 3.917,720 3.496,721 1.444,722 0.969,723 5.724,724 11.375,725 3.795,726 4.419,727 4.999,728 5.646,729 6.32,730 6.756,731 7.234,732 7.685,733 8.11,734 8.333,735 1,736 49,737 11.526,738 4.994,739 7.586,740 22.535,741 19.261,742 2.086,743 64.667,747 317.82,748 117.665,749 33.571,751 75.683,754 117.665,755 393.503,756 33.571,757 19.708,758 21.857,759 47.381,760 76.254,761 61.717,763 317.82,765 317.82,766 151.236,767 75.683,769 296.605,770 99.225,773 35.584,774 79.753,775 33.571,777 317.82,778 109.254,779 117.665,781 317.82,782 50.575,783 67.089,785 109.254,786 317.82,787 109.254,788 117.665,789 0.584,790 0.316,791 0.167,792 0.098,793 26,794 11,795 0.143,796 9,797 1,798 1.091,799 4.271,800 294.133,801 0.091,802 22,803 135.58,806 20.534,807 8.641,808 5.107,809 1.504,810 109.254,811 9.447,812 9.44,815 4.472,816 42.683,817 544.738,818 43.5,825 59,826 66.232,827 0.249,828 0.573,829 0.784,830 0.811,831 0.811,832 0.811,833 5.058,834 2.057,835 5.999,836 6.492,837 4.615,838 5.106,839 1.693,840 6.819,841 4.527,842 6.283,843 1.649,844 7.566,845 5.973,846 4.369,847 5.075,849 7.781,850 4.275,851 7.608,852 1.178,853 9.226,854 4.847,855 6.256,856 7.351,857 1.454,858 10.803,859 6.105,860 8.963,861 0.862,862 10.938,863 3.263,864 6.723,865 8.075,867 12.507,868 6.565,869 10.345,870 0.79,871 12.682,872 2.02,873 8.139,874 9.904,875 1.232,876 15.106,877 7.938,878 11.746,879 0.689,880 14.448,881 1.872,882 8.933,883 11.01,885 17.165,886 8.719,887 13.163,888 0.362,889 16.232,890 1.379,891 10.165,892 12.653,893 1.028,894 19.621,895 9.917,896 3.215,897 -0.174,898 18.029,899 0.527,900 11.123,901 13.961,903 21.859,904 10.858,905 2.849,906 11.094,907 19.839,908 -0.325,909 12.283,910 15.523,911 0.845,912 24.269,913 11.989,914 2.674,915 8.874,916 21.659,917 4.586,918 13.327,919 16.935,921 26.594,922 13.012,923 2.667,924 8.046,925 23.49,926 3.881,927 14.463,928 18.464,929 0.684,930 28.992,931 14.122,932 2.574,933 7.425,934 25.329,935 3.496,936 15.553,937 19.929,939 31.358,940 15.189,941 2.264,942 7.4,943 27.177,944 3.011,945 16.685,946 21.446,947 0.546,948 33.756,949 16.295,950 2.091,951 6.936,952 29.032,953 2.83,954 17.801,955 22.937,957 36.142,958 17.387,959 11768,960 17705,961 23.868,962 38.728,963 52.076,964 53.267,965 53.925,966 51.759,967 51.842,968 65.039,969 5.16,970 152.298,971 49.342,972 5.596,973 5.294,974 6.282,975 5.288,976 5.215,977 7.586,978 1.72,979 18.364,980 5.133,981 12.797,982 1.488,983 1.522,984 1.541,985 1.479,986 1.481,987 1.858,988 0.147,989 4.351,990 1.41,991 4.111,992 4.133,993 4.084,994 4.025,995 6.47,996 4.036,997 3.936,998 3.973,999 3.856,1000 3.826,1001 5.047,1002 3.826,1003 3.89,1004 3.94,1005 3.76,1006 3.784,1007 4.857,1008 3.771,1009 3.805,1010 3.832,1011 3.714,1012 3.731,1013 4.65,1014 3.724,1015 3.585,1016 3.637,1017 3.496,1018 3.425,1019 4.55,1020 3.429,1021 3.313,1022 3.371,1023 3.157,1024 3.115,1025 4.311,1026 3.123,1027 3.167,1028 3.22,1029 3.035,1030 2.948,1031 4.151,1032 2.958,1033 3.129,1034 3.162,1035 3.016,1036 2.872,1037 4.113,1038 2.898,1039 0.133,1040 0.094,1041 0.193,1042 0.12,1043 0.092,1044 4.645,1045 0.131,1046 3.294,1047 0.025,1048 6.748,1049 0.317,1050 4.19,1051 0.09,1052 3.215,1053 4.586,1054 0.86,1055 11.094,1056 3.133,1057 2.041,1058 2.024,1059 2.091,1060 2.142,1061 1.241,1062 2.126,1063 1.826,1064 1.813,1065 1.916,1066 1.943,1067 1.073,1068 1.933,1069 1.564,1070 1.506,1071 1.822,1072 1.757,1073 1.03,1074 1.776,1075 1.42,1076 1.372,1077 1.673,1078 1.643,1079 1.003,1080 1.651,1081 1.386,1082 1.332,1083 1.64,1084 1.58,1085 0.962,1086 1.6,1087 1.244,1088 1.188,1089 1.575,1090 1.524,1091 0.825,1092 1.543,1093 1.153,1094 1.064,1095 1.513,1096 1.376,1097 0.825,1098 1.429,1099 1.153,1100 1.064,1101 1.513,1102 1.376,1103 0.581,1104 1.429,1105 4.263,1106 2.565,1107 5.602,1108 4.394,1109 7.138,1110 6.107,1111 8.765,1112 7.779,1113 10.443,1114 3.561,1118 10.252,1119 7.123,1121 17.536,1123 1.33,1128 36.75,1129 86.374,1130 198.994,1131 271.957,1132 281.566,1133 281.566,1134 281.566,1135 50.136,1136 7.879,1137 73.7,1138 73.7,1139 24,1140 12.797,1141 4.17,1142 3.248,1143 43.167,1144 114,1145 117,1146 0.178,1147 219.766,1148 382.6,1149 527.99,1150 27309,1152 21.372,1153 0.689,1154 0.583,1155 21.372,1156 18.058,1157 15.123,1158 0.432,1159 0.318,1160 10.959,1161 14.521,1162 10.688,1163 8.831,1164 15.123,1165 11.113,1166 13.691,1167 0.274,1168 0.172,1169 13.691,1170 8.585,1171 10.88,1172 0.175,1173 0.085,1174 10.88,1175 5.3,1176 8.901,1177 0.109,1178 0.041,1179 8.901,1180 3.371,1181 7.623,1182 0.067,1183 0.021,1184 7.623,1185 2.415,1186 0.273,1187 95.063,1188 0.205,1189 28.691,1190 0.514,1191 170,1192 470.647,1193 186.231,1194 443.633,1195 618.39,1196 420,1197 203,1198 464.119,1199 219.899,1200 466.903,1201 690.14,1202 440,1203 5.62}
{0 CHEMBL95979,1 1.563,2 11.541,3 5.944,4 35.33,5 140.724,6 7.741,7 0.524,8 4.321,9 4.411,10 3.962,11 3.894,12 5.37,13 3.864,14 4.847,15 4.993,16 4.245,17 4.222,18 5.858,19 4.167,20 5.009,21 5.191,22 4.318,23 4.262,24 6.035,25 4.217,26 4.982,27 5.157,28 4.344,29 4.308,30 6.015,31 4.27,32 5.042,33 5.196,34 4.46,35 4.46,36 6.081,37 4.403,38 5.187,39 5.343,40 4.536,41 4.563,42 6.22,43 4.488,44 5.295,45 5.486,46 4.561,47 4.567,48 6.292,49 4.491,50 5.271,51 5.445,52 4.514,53 4.53,54 6.254,55 4.448,56 0.044,57 0.904,58 13.954,59 6.941,60 10.144,61 8.141,62 0.328,63 1.461,64 28.388,65 11.498,66 34.771,67 13.384,68 0.636,69 1.686,70 36.454,71 12.643,72 51.786,73 15.647,74 0.553,75 1.679,76 32.118,77 12.012,78 44.751,79 14.898,80 0.48,81 1.815,82 32.491,83 13.664,84 40.646,85 16.901,86 0.448,87 2.081,88 38.899,89 16.282,90 49.844,91 19.817,92 0.639,93 2.279,94 48.747,95 17.836,96 62.175,97 21.784,98 0.779,99 2.172,100 46.093,101 17.081,102 62.011,103 20.598,104 11,105 59,106 0.245,107 0.549,108 0.724,109 0.805,110 0.805,111 0.805,112 3.643,113 0.976,114 -4.29,115 -4.22,116 -3.99,117 43.3,119 4,120 2,122 1,123 4,128 7,129 2,130 4,132 2,134 1,136 1,137 1,145 10,147 1,148 12,152 7,155 1,156 17,157 1,159 5,162 2,163 7,167 7,170 4,171 6,174 1,175 19,178 1,179 7,181 1,182 1,183 16,186 2,187 13,189 1,190 1,191 10,194 2,195 12,200 9,202 2,203 6,205 1,207 1,208 11,210 2900,211 25.875,212 25.875,213 25.875,214 25.875,215 25.875,216 23.451,217 18.778,218 15.384,219 26.767,220 20.727,221 20.727,222 20.727,223 20.727,224 20.727,225 16.804,226 21.553,227 7.288,228 22.111,229 4.503,230 2.566,231 1.45,232 0.937,233 0.937,234 0.937,235 4.348,239 1,240 951,241 3.742,242 134.198,243 91.352,244 307.41,245 164.8,246 1.744,247 34.041,250 0.75,251 0.5,252 0.67,253 0.9,254 1,255 0.67,256 0.5,257 0.71,258 80,259 427,260 4.662,261 3.324,262 6.765,263 4.206,264 3.237,265 4.601,266 0.86,267 11.164,268 3.141,269 4.233,270 3.131,271 6.167,272 3.822,273 2.866,274 3.885,275 0.86,276 9.173,277 2.739,278 4.166,279 2.973,280 6.107,281 3.729,282 2.804,283 3.766,284 0.86,285 8.968,286 2.635,287 3.91,288 2.823,289 5.803,290 3.654,291 2.667,292 3.412,293 0.86,294 8.088,295 2.628,296 3.679,297 2.715,298 5.518,299 3.64,300 2.658,301 2.95,303 7.425,304 2.569,305 3.654,306 2.611,307 5.504,308 3.462,309 2.515,310 2.733,312 7.394,313 2.36,314 3.533,315 2.428,316 5.392,317 3.108,318 2.157,319 2.644,320 6.873,321 2.043,322 3.331,323 2.323,324 4.991,325 2.973,326 2.057,327 2.59,328 5.973,329 1.871,330 3.249,331 2.257,332 4.765,333 2.737,334 1.815,335 2.523,336 5.138,337 1.669,338 3.076,339 1.767,340 4.498,341 2.634,342 1.718,343 2.292,344 4.544,345 1.567,346 2.678,347 1.735,348 4.271,349 2.387,350 1.455,351 1.718,352 3.694,353 1.338,354 2.415,355 1.483,356 3.582,357 2.063,358 1.143,359 1.395,360 2.515,361 1.043,362 2.318,363 1.252,364 3.349,365 1.824,366 0.907,367 1.257,368 2.107,369 0.818,370 2.118,371 1.161,372 3.334,373 1.766,374 0.856,375 0.927,376 2.015,377 0.77,378 1.94,379 1.009,380 3.307,381 1.711,382 0.79,383 0.912,384 1.872,385 0.718,386 17.8,387 0.481,388 0.735,389 0.02,390 46.25,391 1.25,392 22,393 0.595,394 24.25,395 0.655,396 36.358,397 0.983,398 39.8,399 0.594,400 36.919,401 0.998,402 8.428,403 0.228,404 9.768,405 0.264,406 0.047,408 0.337,410 0.876,411 1.165,412 0.743,413 1.017,414 0.882,415 0.93,416 1.274,417 1.074,418 0.973,419 0.986,420 1.006,421 0.953,422 1.173,423 1.06,424 0.869,425 0.907,426 0.922,427 0.826,428 1.164,429 0.921,430 0.759,431 0.723,432 0.857,433 0.757,434 0.888,435 0.94,436 0.804,437 0.862,438 0.756,439 0.901,440 0.93,441 1.15,442 0.962,443 1.08,444 0.871,445 1.079,446 1.041,447 0.987,448 0.989,449 1.011,450 0.902,451 0.947,452 1.168,453 1.128,454 1.003,455 1.084,456 1.141,457 1.1,458 7,459 0.227,460 3.444,461 1.66,462 2.302,463 1.32,464 0.944,465 0.771,466 0.488,467 0.323,468 20529,469 49906,470 2.197,471 44.8,472 8,473 18,474 1,476 1,478 2,480 1.792,481 2.114,482 3.446,483 -0.392,487 104.73,488 1.563,489 3.501,490 4.616,491 5.129,492 5.129,493 5.129,494 2.901,495 4.507,496 5.174,497 3.654,498 2433.53,499 9.175,500 38766,505 406.428,506 1.181,507 5.165,508 0.167,509 0.005,510 0.065,511 0.029,512 0.038,513 0.019,514 0.013,515 0.011,516 0.008,517 0.005,518 0.36,519 0.17,520 0.63,521 0.877,522 200.036,523 -0.037,524 -0.082,525 0.075,526 -0.008,527 -0.045,528 0.026,529 -0.133,530 -0.039,531 -0.019,532 0.013,533 -0.029,534 -0.006,535 0.047,536 -0.049,537 0.105,538 0.053,539 0.082,540 0.121,541 -0.034,542 0.126,543 0.1,544 0.178,545 -0.011,546 0.169,547 0.041,548 0.117,549 0.041,550 0.086,551 0.029,552 0.049,553 0.003,554 -0.108,555 -0.053,556 -0.093,557 0.008,558 -0.117,559 -0.001,560 0.051,561 0.022,562 -0.015,563 0.03,564 0.016,565 -0.014,566 -0.121,567 -0.057,568 -0.12,569 -0.116,570 -0.151,571 1.589,572 3.268,573 0.73,574 44.118,575 1.004,576 1.116,577 3.057,578 9.346,579 0.68,580 3.761,581 4.094,582 4.331,583 4.625,584 4.92,585 5.147,586 5.384,587 5.606,588 5.796,589 5.892,590 7.128,591 0.644,592 518.68,593 3.761,594 5.313,595 6.18,596 7.069,597 7.955,598 8.853,599 9.749,600 10.653,601 11.554,602 12.462,603 3,610 2,612 2,613 8,614 2,616 1,617 8,618 22,627 4,629 67,630 22,631 2,632 42,633 72,634 29,635 18,636 7,637 5,639 6,640 7,642 1,645 4,646 2,647 4,649 18,650 11,651 2,663 30,664 7,665 1,666 8,667 1,668 2,669 0.833,670 5,671 1,673 1,674 2,675 1,676 3,677 1,685 1,687 5,689 1,690 1,693 37,696 1,697 8,699 4,701 2,705 1,709 7.5,710 1,714 4,716 17.5,717 12.267,718 8.139,719 4.182,720 3.949,721 1.47,722 0.983,723 7.384,724 12.359,725 3.989,726 4.598,727 5.196,728 5.851,729 6.479,730 6.987,731 7.543,732 8.076,733 8.575,734 8.917,735 0.875,736 57,737 13.739,738 5.939,739 7.586,740 26.814,741 22.828,742 2.086,743 77.167,747 341.362,748 175.378,749 33.571,751 86.683,753 31.278,754 144.101,755 428.045,756 33.571,757 10.883,758 23.915,759 116.666,760 33.571,761 77.961,762 13.13,763 360.869,765 341.362,766 177.672,767 86.683,768 31.278,769 320.148,770 67.542,771 42.683,773 28.816,774 112.957,775 33.571,776 31.278,777 341.362,778 120.254,779 175.378,781 341.362,782 90.512,783 84.866,785 120.254,786 341.362,787 120.254,788 175.378,789 0.575,790 0.313,791 0.171,792 0.097,793 30,794 12,795 0.167,796 12,797 1,798 1.074,799 4.761,800 381.685,801 0.074,802 27,803 172.75,804 1,806 24.748,807 11.04,808 6.294,809 1.563,810 120.254,811 15.836,812 9.897,814 1.594,815 5.943,816 42.683,817 636.994,818 53,825 67.287,826 74.776,827 0.258,828 0.577,829 0.761,830 0.846,831 0.846,832 0.846,833 5.239,834 2.057,835 6.155,836 6.873,837 4.779,838 5.286,839 1.934,840 6.971,841 4.665,842 6.449,843 1.815,844 7.713,845 5.973,846 4.443,847 5.156,849 7.915,850 4.332,851 7.764,852 1.718,853 9.369,854 5.138,855 6.402,856 7.512,857 1.682,858 10.966,859 6.211,860 9.112,861 1.455,862 11.082,863 4.544,864 6.836,865 8.201,867 12.686,868 6.64,869 10.491,870 1.143,871 12.83,872 3.694,873 8.282,874 10.05,875 1.444,876 15.286,877 8.029,878 11.891,879 0.907,880 14.602,881 2.515,882 9.067,883 11.14,885 17.352,886 8.799,887 13.309,888 0.856,889 16.392,890 2.107,891 10.312,892 12.781,893 1.222,894 19.802,895 10.001,896 3.237,897 0.79,898 18.196,899 2.015,900 11.27,901 14.08,903 22.037,904 10.936,905 2.866,906 11.164,907 20.011,908 1.872,909 12.435,910 15.635,911 1.019,912 24.438,913 12.067,914 2.804,915 9.173,916 21.836,917 4.601,918 13.48,919 17.04,921 26.757,922 13.086,923 2.667,924 8.968,925 23.67,926 3.885,927 14.618,928 18.563,929 0.837,930 29.148,931 14.194,932 2.658,933 8.088,934 25.511,935 3.766,936 15.709,937 20.022,939 31.51,940 15.258,941 2.515,942 7.425,943 27.359,944 3.412,945 16.842,946 21.535,947 0.677,948 33.902,949 16.363,950 2.157,951 7.394,952 29.213,953 2.95,954 17.959,955 23.022,957 36.286,958 17.453,959 18890,960 29685,961 29.126,962 45.591,963 62.617,964 63.88,965 63.432,966 61.803,967 62.091,968 78.763,969 6.88,970 179.58,971 58.196,972 5.613,973 5.324,974 6.626,975 5.305,976 5.237,977 7.601,978 1.72,979 18.438,980 5.141,981 11.994,982 1.491,983 1.521,984 1.51,985 1.472,986 1.478,987 1.875,988 0.164,989 4.276,990 1.386,991 4.123,992 4.142,993 4.248,994 4.051,995 6.457,996 4.051,997 3.938,998 3.974,999 4.035,1000 3.868,1001 5.099,1002 3.832,1003 3.89,1004 3.94,1005 3.854,1006 3.82,1007 4.876,1008 3.78,1009 3.823,1010 3.841,1011 3.76,1012 3.784,1013 4.767,1014 3.771,1015 3.803,1016 3.816,1017 3.716,1018 3.73,1019 4.566,1020 3.723,1021 3.534,1022 3.574,1023 3.446,1024 3.308,1025 4.55,1026 3.329,1027 3.373,1028 3.415,1029 3.267,1030 3.155,1031 4.442,1032 3.172,1033 3.154,1034 3.214,1035 3.022,1036 2.946,1037 4.3,1038 2.955,1039 0.111,1040 0.079,1041 0.161,1042 0.1,1043 0.077,1044 4.662,1045 0.11,1046 3.324,1047 0.02,1048 6.765,1049 0.266,1050 4.206,1051 0.075,1052 3.237,1053 4.601,1054 0.86,1055 11.164,1056 3.141,1057 2.041,1058 2.025,1059 2.082,1060 2.136,1061 1.236,1062 2.12,1063 1.828,1064 1.815,1065 1.914,1066 1.945,1067 1.072,1068 1.934,1069 1.541,1070 1.519,1071 1.729,1072 1.749,1073 1.03,1074 1.739,1075 1.449,1076 1.407,1077 1.673,1078 1.643,1079 0.977,1080 1.651,1081 1.42,1082 1.372,1083 1.663,1084 1.64,1085 0.933,1086 1.643,1087 1.387,1088 1.361,1089 1.638,1090 1.57,1091 0.825,1092 1.595,1093 1.372,1094 1.325,1095 1.577,1096 1.532,1097 0.825,1098 1.556,1099 1.205,1100 1.161,1101 1.513,1102 1.391,1103 0.736,1104 1.438,1105 4.443,1106 2.565,1107 5.771,1108 4.511,1109 7.294,1110 6.279,1111 8.91,1112 7.982,1113 10.582,1114 1.601,1118 9.268,1119 6.426,1121 23.75,1123 1.29,1128 43.179,1129 104.73,1130 234.538,1131 309.267,1132 343.673,1133 343.673,1134 343.673,1135 58.19,1136 8.409,1137 82.93,1138 111.17,1139 29,1140 12.98,1141 4.524,1142 3.585,1143 50.438,1144 150,1145 186,1146 0.155,1147 260.015,1148 450.56,1149 626.196,1150 51460,1152 25.192,1153 0.681,1154 0.585,1155 25.545,1156 21.63,1157 18.195,1158 0.433,1159 0.325,1160 12.666,1161 16.959,1162 12.334,1163 10.126,1164 18.649,1165 13.662,1166 16.147,1167 0.274,1168 0.18,1169 16.73,1170 10.615,1171 13.029,1172 0.174,1173 0.092,1174 13.711,1175 6.879,1176 10.929,1177 0.108,1178 0.045,1179 11.562,1180 4.595,1181 9.099,1182 0.067,1183 0.022,1184 9.451,1185 2.995,1186 0.238,1187 119.077,1188 0.185,1189 33.159,1190 0.446,1191 202,1192 583.242,1193 243.392,1194 565.718,1195 785.28,1196 538,1197 241,1198 564.458,1199 279.929,1200 581.14,1201 861.58,1202 548,1203 5.886}
{0 CHEMBL96034,1 1.464,2 10.258,3 4.866,4 23.674,5 115.425,6 7.128,7 0.486,8 4.184,9 4.286,10 3.73,11 3.709,12 5.203,13 3.692,14 4.72,15 4.891,16 3.992,17 4.015,18 5.689,19 3.979,20 4.851,21 5.036,22 4.11,23 4.108,24 5.847,25 4.077,26 4.878,27 5.058,28 4.122,29 4.167,30 5.88,31 4.121,32 4.936,33 5.109,34 4.181,35 4.272,36 5.929,37 4.208,38 5.038,39 5.226,40 4.167,41 4.311,42 5.982,43 4.229,44 5.118,45 5.348,46 4.155,47 4.248,48 6.021,49 4.175,50 5.005,51 5.183,52 3.989,53 4.201,54 5.936,55 4.11,57 0.805,58 12.932,59 5.966,60 8.458,61 7.548,62 0.267,63 1.253,64 24.921,65 9.338,66 30.216,67 12.066,68 0.392,69 1.425,70 28.891,71 10.093,72 35.08,73 13.381,74 0.452,75 1.464,76 29.494,77 10.836,78 40.747,79 14.277,80 0.422,81 1.589,82 30.485,83 12.116,84 39.417,85 16.059,86 0.235,87 1.754,88 33.775,89 13.224,90 38.488,91 17.836,92 0.505,93 1.774,94 39.19,95 13.335,96 50.229,97 18.275,98 0.694,99 1.608,100 34.21,101 11.97,102 50.376,103 15.58,104 14,105 50,106 0.238,107 0.517,108 0.708,109 0.74,110 0.745,111 0.751,112 3.473,113 0.938,114 -4.4,115 -4.33,116 -4.08,117 42.4,118 1,119 4,120 2,122 2,123 2,128 5,129 2,130 4,132 2,134 1,145 9,147 1,148 14,152 5,155 1,156 13,159 5,162 2,163 5,167 10,170 4,171 6,175 16,178 1,179 8,183 7,186 2,187 14,191 8,194 2,195 5,200 7,202 2,203 3,208 12,210 1720,211 21.392,212 21.392,213 21.392,214 21.392,215 21.392,216 19.474,217 20.441,218 12.383,219 22.102,220 17.201,221 17.201,222 17.201,223 17.201,224 17.201,225 14.01,226 22.201,227 5.794,228 18.158,229 4.419,230 2.699,231 1.523,232 1.327,233 1.293,234 1.259,235 4.166,238 1,239 1,240 704,241 3.391,242 113.742,244 253.678,245 134.148,246 1.525,247 25.403,250 1,251 1,252 0.83,253 1,254 1,255 1,256 1,257 0.98,258 67,259 318,260 4.646,261 3.314,262 6.749,263 4.19,264 3.216,265 4.586,266 0.86,267 11.097,268 3.132,269 4.232,270 3.125,271 6.155,272 3.82,273 2.863,274 3.885,275 0.86,276 9.119,277 2.738,278 3.989,279 2.931,280 5.821,281 3.655,282 2.685,283 3.511,284 0.86,285 8.176,286 2.635,287 3.679,288 2.823,289 5.52,290 3.654,291 2.667,292 2.991,293 0.86,294 7.425,295 2.626,296 3.665,297 2.643,298 5.504,299 3.533,300 2.576,301 2.794,303 7.401,304 2.433,305 3.565,306 2.428,307 5.393,308 3.162,309 2.213,310 2.733,312 6.896,313 2.092,314 3.436,315 2.377,316 5.022,317 2.99,318 2.057,319 2.642,320 5.973,321 1.93,322 3.331,323 2.215,324 4.991,325 2.973,326 2.041,327 2.523,328 5.909,329 1.871,330 3.073,331 2.17,332 4.697,333 2.644,334 1.704,335 2.292,336 4.936,337 1.598,338 2.597,339 1.52,340 4.237,341 2.167,342 1.259,343 1.628,344 3.494,345 1.134,346 1.944,347 1.257,348 3.395,349 1.772,350 0.866,351 0.916,352 2.025,353 0.775,354 1.898,355 1.161,356 3.333,357 1.711,358 0.79,359 0.853,360 1.872,361 0.718,362 1.885,363 1.024,364 3.307,365 1.529,366 0.616,367 0.761,368 1.349,369 0.557,370 1.517,371 0.833,372 2.879,373 1.227,374 0.378,375 0.414,376 0.523,377 0.318,378 1.186,379 0.205,380 2.707,381 0.796,382 -0.134,383 -0.169,384 -0.278,385 -0.123,386 14.633,387 0.472,388 0.721,389 0.023,390 38.5,391 1.242,392 18,393 0.581,394 20.5,395 0.661,396 28.741,397 0.927,398 33.967,399 0.576,400 28.891,401 0.932,402 7.087,403 0.229,404 8.036,405 0.259,406 0.103,408 0.376,410 0.845,411 1.313,412 0.792,413 1.201,414 0.8,415 1.022,416 1.329,417 1.061,418 0.935,419 0.964,420 1.013,421 0.903,422 1.28,423 1.01,424 0.909,425 0.898,426 1.175,427 0.843,428 1.181,429 0.973,430 0.936,431 0.902,432 1.125,433 0.882,434 0.9,435 1.06,436 0.961,437 1.042,438 0.901,439 1.023,440 0.902,441 1.275,442 1.065,443 1.261,444 1.017,445 1.198,446 1.16,447 0.929,448 0.926,449 0.917,450 1.056,451 0.882,452 1.528,453 1.141,454 1.401,455 1.132,456 1.588,457 1.23,458 7,459 0.153,460 3,461 1.882,462 2.212,463 1.049,464 0.819,465 0.552,466 0.313,467 0.282,468 12785,469 28171,470 2.16,471 47.5,472 8,473 15,477 3,478 2,480 1.745,481 2.044,482 3.315,483 -0.799,487 86.374,488 1.464,489 3.183,490 4.359,491 4.556,492 4.59,493 4.624,494 2.733,495 4.374,496 4.921,497 3.517,498 1635.36,499 8.65,500 22990.8,502 1,505 347.076,506 1.332,507 4.896,508 0.2,509 0.005,510 0.068,511 0.038,512 0.044,513 0.02,514 0.016,515 0.011,516 0.008,517 0.008,518 0.419,519 0.17,520 0.88,521 0.741,522 158.765,524 -0.16,525 0.088,526 -0.096,527 0.038,528 -0.006,529 -0.108,530 -0.017,531 0.048,532 0.045,533 0.105,534 0.063,535 -0.036,536 0.049,537 0.089,538 0.081,539 0.017,540 0.106,541 -0.003,542 0.076,543 0.046,544 0.099,545 0.008,546 0.083,547 0.074,548 0.002,549 -0.017,550 -0.012,551 0.077,552 -0.034,553 -0.02,554 -0.219,555 -0.126,556 -0.244,557 -0.08,558 -0.208,559 -0.015,560 0.066,561 0.086,562 0.038,563 0.06,564 0.076,565 -0.156,566 -0.114,567 -0.396,568 -0.151,569 -0.335,570 -0.29,571 1.019,572 2.611,573 0.71,574 32.015,575 1,576 1.123,577 3.167,578 10.027,579 0.656,580 3.584,581 3.932,582 4.143,583 4.431,584 4.736,585 4.905,586 5.094,587 5.236,588 5.371,589 5.403,590 6.453,591 0.623,592 420.55,593 3.584,594 5.142,595 6.009,596 6.903,597 7.787,598 8.686,599 9.577,600 10.478,601 11.375,602 12.278,603 3.4,610 2,612 2,613 5,614 2,617 7,618 17,627 4,629 59,630 17,631 2,632 35,633 63,634 25,635 14,636 7,637 5,639 5,640 6,642 1,645 4,646 2,647 4,649 14,650 11,651 2,663 28,664 6,666 6,668 2,669 0.8,670 4,673 1,674 2,676 3,677 1,687 4,690 3,693 31,697 6,699 4,701 2,709 6.8,714 4,716 15.167,717 11.65,718 6.778,719 3.7,720 3.505,721 1.444,722 0.981,723 5.724,724 11.398,725 3.795,726 4.419,727 4.999,728 5.651,729 6.318,730 6.748,731 7.23,732 7.673,733 8.106,734 8.335,735 0.857,736 49,737 11.494,738 4.911,739 7.522,740 22.552,741 19.075,742 2.022,743 62.667,745 1,746 1,747 329.591,748 131.257,749 33.571,751 44,754 131.257,755 373.59,756 33.571,757 30.591,758 19.323,759 47.381,760 33.571,761 77.961,763 329.591,765 329.591,766 164.828,767 44,769 308.377,770 67.542,773 33.049,774 95.88,775 33.571,777 329.591,778 77.571,779 131.257,781 329.591,782 53.284,783 77.973,785 77.571,786 329.591,787 77.571,788 131.257,789 0.583,790 0.316,791 0.172,792 0.1,793 26,794 11,795 0.143,796 9,797 1,798 1.091,799 4.278,800 293.665,801 0.091,802 22,803 135.58,806 20.534,807 8.641,808 5.107,809 1.709,810 77.571,811 9.915,812 9.398,815 5.405,817 538.418,818 43.5,825 59,826 66.232,827 0.249,828 0.541,829 0.741,830 0.775,831 0.78,832 0.786,833 5.058,834 2.041,835 5.999,836 5.973,837 4.615,838 5.106,839 1.934,840 6.821,841 4.519,842 6.283,843 1.704,844 7.566,845 5.909,846 4.369,847 5.075,849 7.789,850 4.275,851 7.608,852 1.259,853 9.227,854 4.936,855 6.256,856 7.351,857 1.682,858 10.814,859 6.096,860 8.963,861 0.866,862 10.94,863 3.494,864 6.723,865 8.075,867 12.53,868 6.561,869 10.345,870 0.79,871 12.685,872 2.025,873 8.141,874 9.905,875 1.444,876 15.13,877 7.93,878 11.746,879 0.616,880 14.454,881 1.872,882 8.936,883 11.011,885 17.197,886 8.716,887 13.164,888 0.378,889 16.24,890 1.349,891 10.17,892 12.654,893 1.222,894 19.653,895 9.913,896 3.216,897 -0.134,898 18.04,899 0.523,900 11.131,901 13.964,903 21.894,904 10.857,905 2.863,906 11.097,907 19.853,908 -0.278,909 12.292,910 15.525,911 1.019,912 24.301,913 11.988,914 2.685,915 9.119,916 21.676,917 4.586,918 13.338,919 16.938,921 26.626,922 13.013,923 2.667,924 8.176,925 23.51,926 3.885,927 14.475,928 18.467,929 0.837,930 29.021,931 14.122,932 2.576,933 7.425,934 25.352,935 3.511,936 15.566,937 19.932,939 31.386,940 15.19,941 2.213,942 7.401,943 27.201,944 2.991,945 16.698,946 21.449,947 0.677,948 33.781,949 16.297,950 2.057,951 6.896,952 29.058,953 2.794,954 17.815,955 22.94,957 36.165,958 17.389,959 11876,960 17817,961 23.868,962 38.728,963 52.112,964 53.592,965 54.003,966 51.652,967 51.862,968 65.059,969 6.88,970 152.391,971 49.114,972 5.597,973 5.314,974 6.291,975 5.289,976 5.216,977 7.586,978 1.72,979 18.368,980 5.132,981 12.766,982 1.489,983 1.531,984 1.543,985 1.476,986 1.482,987 1.859,988 0.197,989 4.354,990 1.403,991 4.11,992 4.132,993 4.084,994 4.024,995 5.095,996 4.035,997 3.936,998 3.973,999 3.856,1000 3.826,1001 4.879,1002 3.826,1003 3.89,1004 3.94,1005 3.76,1006 3.784,1007 4.747,1008 3.771,1009 3.807,1010 3.833,1011 3.715,1012 3.732,1013 4.55,1014 3.725,1015 3.538,1016 3.579,1017 3.473,1018 3.34,1019 4.498,1020 3.365,1021 3.255,1022 3.318,1023 3.094,1024 3.038,1025 4.308,1026 3.04,1027 3.211,1028 3.286,1029 3.018,1030 2.948,1031 4.113,1032 2.954,1033 3.129,1034 3.162,1035 3.016,1036 2.872,1037 4.101,1038 2.898,1039 0.133,1040 0.095,1041 0.193,1042 0.12,1043 0.092,1044 4.646,1045 0.131,1046 3.314,1047 0.025,1048 6.749,1049 0.317,1050 4.19,1051 0.089,1052 3.216,1053 4.586,1054 0.86,1055 11.097,1056 3.132,1057 2.04,1058 2.023,1059 2.089,1060 2.141,1061 1.236,1062 2.125,1063 1.827,1064 1.814,1065 1.914,1066 1.944,1067 1.07,1068 1.933,1069 1.469,1070 1.424,1071 1.693,1072 1.704,1073 1.03,1074 1.695,1075 1.42,1076 1.372,1077 1.673,1078 1.643,1079 0.968,1080 1.651,1081 1.376,1082 1.318,1083 1.637,1084 1.561,1085 0.825,1086 1.589,1087 1.201,1088 1.134,1089 1.576,1090 1.523,1091 0.825,1092 1.539,1093 1.183,1094 1.105,1095 1.551,1096 1.453,1097 0.736,1098 1.491,1099 1.153,1100 1.064,1101 1.513,1102 1.376,1103 0.58,1104 1.429,1105 4.263,1106 2.565,1107 5.602,1108 4.394,1109 7.138,1110 6.107,1111 8.766,1112 7.779,1113 10.446,1114 5.162,1119 6.509,1121 23.211,1123 1.358,1128 36.75,1129 86.374,1130 187.815,1131 257.202,1132 268.811,1133 270.811,1134 272.811,1135 44.779,1136 7.893,1137 62.7,1138 62.7,1139 24,1140 12.799,1141 4.17,1142 3.248,1143 43.222,1144 116,1145 117,1146 0.176,1147 219.766,1148 382.6,1149 527.99,1150 27927,1152 21.372,1153 0.689,1154 0.591,1155 21.372,1156 18.312,1157 15.123,1158 0.432,1159 0.313,1160 10.761,1161 14.427,1162 10.433,1163 8.642,1164 15.123,1165 10.941,1166 13.713,1167 0.274,1168 0.171,1169 13.713,1170 8.546,1171 10.758,1172 0.174,1173 0.085,1174 10.758,1175 5.254,1176 9.038,1177 0.109,1178 0.041,1179 9.038,1180 3.428,1181 7.755,1182 0.069,1183 0.022,1184 7.755,1185 2.434,1186 0.271,1187 95.601,1188 0.205,1189 28.745,1190 0.505,1191 170,1192 482.232,1193 187.006,1194 449.769,1195 628.33,1196 428,1197 203,1198 469.634,1199 220.562,1200 473.992,1201 697.8,1202 444,1203 6.187}
{0 CHEMBL96039,1 1.513,2 11.649,3 4.398,4 19.343,5 137.16,6 7.192,7 0.415,8 4.372,9 4.469,10 3.903,11 3.839,12 5.427,13 3.838,14 4.912,15 5.073,16 4.155,17 4.151,18 5.939,19 4.122,20 5.085,21 5.283,22 4.268,23 4.235,24 6.099,25 4.206,26 5.06,27 5.246,28 4.302,29 4.271,30 6.113,31 4.249,32 5.085,33 5.247,34 4.406,35 4.393,36 6.139,37 4.364,38 5.226,39 5.39,40 4.463,41 4.48,42 6.31,43 4.437,44 5.323,45 5.52,46 4.476,47 4.5,48 6.34,49 4.447,50 5.33,51 5.514,52 4.398,53 4.503,54 6.303,55 4.435,56 0.103,57 0.958,58 15.827,59 7.156,60 13.329,61 8.86,62 0.58,63 1.452,64 30.548,65 11.049,66 49.565,67 14.196,68 0.804,69 1.655,70 37.868,71 12.417,72 62.477,73 16.752,74 0.849,75 1.691,76 36.391,77 11.907,78 63.221,79 16.041,80 0.598,81 1.836,82 35.39,83 13.273,84 45.385,85 17.567,86 0.818,87 2.067,88 41.197,89 14.939,90 70.483,91 19.932,92 1.018,93 2.179,94 47.026,95 16.069,96 73.561,97 22.064,98 0.907,99 2.166,100 47.153,101 16.569,102 66.9,103 22.114,104 28,105 56,106 0.237,107 0.508,108 0.696,109 0.807,110 0.812,111 0.812,112 3.643,113 0.947,114 -3.16,115 -3.15,116 -3.03,117 39.4,119 5,120 2,122 1,123 6,128 5,129 2,130 4,132 2,135 1,145 9,147 3,148 13,151 1,152 5,155 1,156 13,157 1,159 5,162 2,163 10,164 1,167 7,170 4,171 9,174 1,175 13,178 2,179 7,181 3,182 1,183 10,186 5,187 12,189 1,190 1,191 10,194 2,195 6,199 3,200 7,202 2,203 8,205 2,207 4,208 11,210 3018,211 25.798,212 25.798,213 25.798,214 25.798,215 25.798,216 23.932,217 25.248,218 15.654,219 26.676,220 20.205,221 20.205,222 20.205,223 20.205,224 20.205,225 17.054,226 28.53,227 7.392,228 21.566,229 4.637,230 2.906,231 1.709,232 0.997,233 0.968,234 0.968,235 4.338,239 1,240 935,241 4.183,242 135.895,244 316.626,245 170.977,246 1.82,247 43.031,250 0.75,251 0.5,252 0.67,253 0.9,254 1,255 0.67,256 0.5,257 0.71,258 82,259 431,260 4.649,261 3.329,262 6.752,263 4.191,264 3.221,265 4.588,266 0.86,267 11.116,268 3.13,269 4.233,270 3.133,271 6.161,272 3.822,273 2.866,274 3.885,275 0.86,276 9.154,277 2.739,278 4.002,279 2.987,280 5.827,281 3.657,282 2.693,283 3.522,284 0.86,285 8.22,286 2.635,287 3.679,288 2.823,289 5.521,290 3.654,291 2.667,292 3.015,293 0.86,294 7.425,295 2.627,296 3.674,297 2.7,298 5.504,299 3.543,300 2.59,301 2.848,302 0.86,303 7.409,304 2.433,305 3.596,306 2.597,307 5.395,308 3.202,309 2.292,310 2.733,312 6.968,313 2.091,314 3.487,315 2.428,316 5.288,317 3.054,318 2.118,319 2.643,320 6.649,321 1.951,322 3.331,323 2.319,324 4.991,325 2.973,326 2.057,327 2.523,328 5.973,329 1.871,330 3.09,331 2.254,332 4.729,333 2.696,334 1.778,335 2.305,336 5.038,337 1.632,338 2.684,339 1.86,340 4.276,341 2.538,342 1.593,343 1.722,344 3.708,345 1.497,346 2.633,347 1.735,348 3.691,349 2.387,350 1.455,351 1.638,352 3.118,353 1.338,354 2.379,355 1.484,356 3.512,357 2.059,358 1.142,359 1.361,360 2.493,361 1.039,362 1.944,363 1.344,364 3.349,365 1.769,366 0.864,367 0.916,368 2.017,369 0.773,370 1.917,371 1.239,372 3.307,373 1.711,374 0.791,375 0.86,376 1.872,377 0.718,378 1.898,379 1.161,380 3.227,381 1.66,382 0.79,383 0.853,384 1.533,385 0.681,386 17.133,387 0.463,388 0.683,389 0.018,390 43,391 1.162,392 18.5,393 0.5,394 24.5,395 0.662,396 37.328,397 1.009,398 42.267,399 0.595,400 36.206,401 0.979,402 8.025,403 0.217,404 10.136,405 0.274,406 0.068,408 0.321,410 0.919,411 1.353,412 0.817,413 1.245,414 0.93,415 1.047,416 1.209,417 1.094,418 1.015,419 1.06,420 0.979,421 1.012,422 1.122,423 1.008,424 0.84,425 0.874,426 0.892,427 0.808,428 1.121,429 0.928,430 0.896,431 0.808,432 0.847,433 0.794,434 0.911,435 1.125,436 0.899,437 1.047,438 0.668,439 0.979,440 0.921,441 1.226,442 1.037,443 1.182,444 0.771,445 1.136,446 0.841,447 1.043,448 0.936,449 1.043,450 0.732,451 1.004,452 1.095,453 1.205,454 1.137,455 1.181,456 0.986,457 1.169,458 7,459 0.227,460 3,461 1.882,462 2.252,463 1.223,464 1.001,465 0.729,466 0.481,467 0.389,468 19927,469 49885,470 2.133,471 47.9,472 8,473 20,476 2,478 2,479 2,480 1.792,481 2.037,482 3.49,483 0.162,487 107.401,488 1.513,489 3.244,490 4.44,491 5.153,492 5.181,493 5.181,494 2.943,495 4.561,496 5.171,497 3.706,498 2468.35,499 9.172,500 39973.2,505 436.632,506 1.241,507 5.159,508 0.171,509 0.004,510 0.06,511 0.034,512 0.038,513 0.019,514 0.015,515 0.011,516 0.008,517 0.007,518 0.366,519 0.33,520 0.63,521 1.324,522 201.117,523 -0.063,524 -0.134,525 0.058,526 -0.07,527 -0.071,528 0.007,529 -0.091,530 -0.017,531 -0.044,532 -0.016,533 -0.032,534 -0.026,535 -0.007,536 0.006,537 0.159,538 0.12,539 0.013,540 0.166,541 -0.026,542 0.155,543 0.091,544 0.188,545 -0.019,546 0.171,547 0.004,548 0.019,549 0.033,550 0.015,551 0.015,552 0.025,553 0.041,554 -0.096,555 -0.094,556 -0.138,557 0.042,558 -0.145,559 0.108,560 0.032,561 0.028,562 -0.039,563 0.059,564 -0.021,565 -0.075,566 -0.153,567 -0.172,568 -0.156,569 -0.114,570 -0.18,571 1.622,572 3.222,573 0.595,574 47.394,575 1.009,576 1.128,577 1.93,578 3.725,579 0.639,580 3.738,581 4.043,582 4.248,583 4.533,584 4.852,585 5.056,586 5.273,587 5.468,588 5.638,589 5.714,590 7.363,591 0.612,592 510.64,593 3.738,594 5.273,595 6.125,596 7.004,597 7.88,598 8.772,599 9.661,600 10.559,601 11.455,602 12.358,603 2.8,610 2,612 2,613 5,614 2,617 7,618 17,627 5,629 71,630 17,631 2,632 41,633 75,634 28,635 14,636 7,637 5,639 5,640 6,642 2,645 4,646 2,647 5,649 14,650 14,651 2,663 34,664 9,665 2,666 9,668 2,669 0.8,670 7,671 2,673 1,674 2,676 3,677 1,685 2,687 4,690 1,693 37,696 2,697 11,699 5,701 2,709 9.9,710 2,714 5,716 18.167,717 12.717,718 8.361,719 4.442,720 3.496,721 1.424,722 0.928,723 8.743,724 11.735,725 3.922,726 4.489,727 5.051,728 5.698,729 6.371,730 6.826,731 7.334,732 7.808,733 8.257,734 8.525,735 0.875,736 56,737 13.754,738 5.848,739 7.707,740 26.571,741 22.103,742 2.207,743 81.667,747 376.675,748 125.325,749 33.571,751 140.366,754 125.325,755 517.041,756 33.571,757 10.883,758 31.042,759 132.748,760 33.571,761 86.633,762 4.386,763 376.675,765 376.675,766 158.896,767 140.366,769 329.591,770 102.084,771 85.367,773 40.329,774 84.997,775 33.571,777 376.675,778 173.937,779 125.325,781 376.675,782 67.061,783 58.264,785 173.937,786 376.675,787 173.937,788 125.325,789 0.564,790 0.3,791 0.163,792 0.099,793 26,794 11,795 0.2,796 15,797 1,798 1.091,799 4.742,800 366.397,801 0.091,802 22,803 174.75,806 26.14,807 12.375,808 7.526,809 1.345,810 173.937,811 9.462,812 9.327,815 4.086,816 85.367,817 675.938,818 49.5,825 71.632,826 80.106,827 0.246,828 0.527,829 0.722,830 0.838,831 0.843,832 0.843,833 5.166,834 2.057,835 6.089,836 6.649,837 4.727,838 5.176,839 2.128,840 6.887,841 4.613,842 6.358,843 1.778,844 7.635,845 5.973,846 4.369,847 5.075,849 7.811,850 4.261,851 7.665,852 1.593,853 9.28,854 5.038,855 6.33,856 7.379,857 1.867,858 10.854,859 6.14,860 9.006,861 1.455,862 10.983,863 3.708,864 6.735,865 8.082,867 12.558,868 6.553,869 10.379,870 1.142,871 12.722,872 3.118,873 8.19,874 9.919,875 1.619,876 15.161,877 7.947,878 11.774,879 0.864,880 14.486,881 2.493,882 8.955,883 11.019,885 17.224,886 8.712,887 13.188,888 0.791,889 16.269,890 2.017,891 10.206,892 12.664,893 1.384,894 19.678,895 9.918,896 3.221,897 0.79,898 18.067,899 1.872,900 11.152,901 13.971,903 21.918,904 10.853,905 2.866,906 11.116,907 19.878,908 1.533,909 12.321,910 15.533,911 1.167,912 24.325,913 11.987,914 2.693,915 9.154,916 21.7,917 4.588,918 13.361,919 16.945,921 26.65,922 13.008,923 2.667,924 8.22,925 23.532,926 3.885,927 14.501,928 18.474,929 0.97,930 29.046,931 14.118,932 2.59,933 7.425,934 25.372,935 3.522,936 15.59,937 19.939,939 31.411,940 15.183,941 2.292,942 7.409,943 27.221,944 3.015,945 16.724,946 21.456,947 0.793,948 33.807,949 16.289,950 2.118,951 6.968,952 29.076,953 2.848,954 17.84,955 22.947,957 36.192,958 17.38,959 18899,960 30089,961 28.027,962 45.375,963 59.504,964 61.931,965 61.476,966 59.222,967 59.435,968 72.62,969 8.6,970 168.162,971 55.693,972 5.6,973 5.329,974 6.662,975 5.29,976 5.221,977 7.588,978 1.72,979 18.388,980 5.13,981 14.875,982 1.451,983 1.511,984 1.499,985 1.444,986 1.45,987 1.771,988 0.21,989 4.102,990 1.358,991 4.11,992 4.129,993 4.085,994 4.02,995 6.459,996 4.032,997 3.935,998 3.972,999 3.856,1000 3.826,1001 6.454,1002 3.826,1003 3.89,1004 3.94,1005 3.76,1006 3.784,1007 5.127,1008 3.771,1009 3.808,1010 3.834,1011 3.716,1012 3.732,1013 4.878,1014 3.726,1015 3.642,1016 3.686,1017 3.532,1018 3.438,1019 4.789,1020 3.444,1021 3.541,1022 3.583,1023 3.412,1024 3.311,1025 4.55,1026 3.333,1027 3.397,1028 3.439,1029 3.272,1030 3.163,1031 4.447,1032 3.183,1033 3.169,1034 3.233,1035 3.023,1036 2.946,1037 4.368,1038 2.956,1039 0.113,1040 0.081,1041 0.165,1042 0.102,1043 0.079,1044 4.649,1045 0.112,1046 3.329,1047 0.021,1048 6.752,1049 0.271,1050 4.191,1051 0.076,1052 3.221,1053 4.588,1054 0.86,1055 11.116,1056 3.13,1057 2.034,1058 2.019,1059 2.079,1060 2.137,1061 1.232,1062 2.118,1063 1.826,1064 1.814,1065 1.913,1066 1.946,1067 1.142,1068 1.934,1069 1.596,1070 1.543,1071 1.858,1072 1.83,1073 1.071,1074 1.837,1075 1.464,1076 1.42,1077 1.725,1078 1.734,1079 1.03,1080 1.728,1081 1.42,1082 1.372,1083 1.673,1084 1.643,1085 0.977,1086 1.651,1087 1.383,1088 1.328,1089 1.639,1090 1.604,1091 0.931,1092 1.605,1093 1.293,1094 1.247,1095 1.58,1096 1.548,1097 0.825,1098 1.563,1099 1.153,1100 1.064,1101 1.513,1102 1.4,1103 0.825,1104 1.429,1105 4.419,1106 2.565,1107 5.727,1108 4.394,1109 7.233,1110 6.107,1111 8.84,1112 7.779,1113 10.506,1114 1.566,1118 18.396,1119 6.957,1121 29.292,1123 1.236,1128 43.475,1129 107.401,1130 230.302,1131 315.274,1132 365.877,1133 367.877,1134 367.877,1135 69.36,1136 8.239,1137 112.39,1138 112.39,1139 24,1140 12.88,1141 4.17,1142 3.248,1143 56.099,1144 154,1145 186,1146 0.168,1147 260.532,1148 460.87,1149 627.458,1150 42464,1152 25.614,1153 0.692,1154 0.572,1155 25.614,1156 21.15,1157 18.161,1158 0.443,1159 0.316,1160 12.698,1161 17.19,1162 12.482,1163 10.245,1164 18.161,1165 12.947,1166 15.704,1167 0.28,1168 0.171,1169 15.704,1170 9.575,1171 12.24,1172 0.177,1173 0.084,1174 12.24,1175 5.784,1176 10.108,1177 0.11,1178 0.04,1179 10.108,1180 3.692,1181 8.743,1182 0.069,1183 0.021,1184 8.743,1185 2.607,1186 0.259,1187 115.944,1188 0.189,1189 33.33,1190 0.478,1191 194,1192 614.267,1193 218.313,1194 559.772,1195 764.13,1196 532,1197 228,1198 549.028,1199 251.986,1200 546.058,1201 809.35,1202 514,1203 6.699}
{0 CHEMBL97213,1 1.498,2 13,3 5.135,4 26.367,5 131.177,6 7.244,7 0.425,8 4.323,9 4.42,10 3.871,11 3.822,12 5.367,13 3.814,14 4.866,15 5.032,16 4.143,17 4.12,18 5.907,19 4.094,20 5.016,21 5.2,22 4.245,23 4.207,24 6.085,25 4.185,26 4.99,27 5.16,28 4.258,29 4.271,30 6.042,31 4.237,32 5.085,33 5.251,34 4.347,35 4.383,36 6.144,37 4.338,38 5.191,39 5.368,40 4.383,41 4.432,42 6.239,43 4.378,44 5.253,45 5.458,46 4.388,47 4.408,48 6.264,49 4.36,50 5.216,51 5.385,52 4.258,53 4.401,54 6.217,55 4.332,56 0.039,57 0.919,58 14.604,59 6.873,60 7.937,61 8.525,62 0.478,63 1.412,64 28.867,65 10.625,66 45.275,67 13.634,68 0.846,69 1.595,70 34.926,71 11.473,72 64.577,73 15.039,74 0.572,75 1.619,76 32.635,77 12.05,78 48.001,79 15.633,80 0.588,81 1.792,82 35.479,83 13.736,84 53.549,85 17.808,86 0.647,87 1.973,88 39.79,89 14.901,90 62.319,91 19.699,92 0.748,93 2.02,94 44.121,95 15.036,96 69.001,97 20.252,98 0.953,99 1.95,100 42.074,101 14.528,102 70.301,103 18.601,104 25,105 56,106 0.236,107 0.523,108 0.752,109 0.791,110 0.791,111 0.791,112 3.616,113 0.943,114 -4.23,115 -4.17,116 -3.94,117 41.2,118 2,119 4,120 2,122 1,123 4,128 5,129 2,130 4,132 2,134 1,138 1,145 9,147 2,148 15,152 5,155 3,156 13,159 5,162 2,163 6,167 10,170 4,171 9,175 16,178 3,179 10,183 7,186 4,187 16,191 9,194 2,195 6,200 8,202 4,203 8,208 13,210 2686,211 24.668,212 24.668,213 24.668,214 24.668,215 24.668,216 22.596,217 24.128,218 14.565,219 25.513,220 19.706,221 19.706,222 19.706,223 19.706,224 19.706,225 16.235,226 25.062,227 6.862,228 20.865,229 4.59,230 2.764,231 1.314,232 1.063,233 1.063,234 1.063,235 4.308,239 1,240 1023,241 4.183,242 134.53,244 311.037,245 166.257,246 2.278,247 38.377,250 1,251 0.67,252 0.83,253 1,254 1,255 0.83,256 0.5,257 0.83,258 79,259 468,260 4.646,261 3.71,262 6.749,263 4.19,264 3.217,265 4.586,266 2.513,267 11.099,268 3.132,269 4.234,270 3.311,271 6.162,272 3.824,273 2.868,274 3.885,275 0.965,276 9.157,277 2.74,278 3.996,279 3.124,280 5.824,281 3.658,282 2.692,283 3.515,284 0.86,285 8.197,286 2.635,287 3.679,288 2.931,289 5.52,290 3.654,291 2.667,292 2.991,293 0.86,294 7.425,295 2.627,296 3.666,297 2.823,298 5.504,299 3.543,300 2.583,301 2.84,302 0.86,303 7.402,304 2.444,305 3.643,306 2.643,307 5.393,308 3.302,309 2.342,310 2.77,311 0.257,312 6.899,313 2.222,314 3.565,315 2.428,316 5.045,317 3.162,318 2.213,319 2.733,320 6.087,321 2.092,322 3.432,323 2.38,324 5.007,325 2.987,326 2.057,327 2.642,328 5.973,329 1.927,330 3.331,331 2.229,332 4.991,333 2.973,334 2.038,335 2.523,336 5.888,337 1.871,338 3.072,339 2.202,340 4.696,341 2.641,342 1.7,343 2.289,344 4.953,345 1.595,346 2.603,347 1.817,348 4.251,349 2.191,350 1.289,351 1.634,352 3.594,353 1.153,354 2.158,355 1.548,356 3.465,357 1.984,358 1.062,359 1.131,360 2.068,361 0.965,362 1.945,363 1.303,364 3.345,365 1.771,366 0.864,367 0.915,368 1.967,369 0.774,370 1.903,371 1.223,372 3.307,373 1.711,374 0.79,375 0.853,376 1.872,377 0.718,378 1.898,379 1.161,380 3.153,381 1.538,382 0.616,383 0.761,384 1.349,385 0.561,386 16.8,387 0.467,388 0.827,389 0.023,390 43.25,391 1.201,392 19.5,393 0.542,394 23.75,395 0.66,396 35.561,397 0.988,398 40.2,399 0.591,400 35.532,401 0.987,402 8.063,403 0.224,404 9.454,405 0.263,406 0.109,408 0.357,410 0.808,411 1.358,412 0.778,413 1.253,414 0.656,415 1.049,416 1.163,417 1.113,418 0.921,419 1.026,420 0.733,421 0.945,422 1.251,423 0.912,424 0.928,425 0.81,426 1.075,427 0.798,428 1.103,429 1.016,430 0.932,431 0.947,432 1.043,433 0.91,434 0.987,435 1.066,436 0.948,437 1.04,438 1.027,439 1.001,440 0.931,441 1.211,442 0.998,443 1.17,444 0.859,445 1.107,446 1.061,447 0.988,448 0.922,449 0.975,450 0.863,451 0.923,452 1.458,453 1.157,454 1.347,455 1.116,456 1.324,457 1.196,458 8,459 0.198,460 3.444,461 2.007,462 2.292,463 1.244,464 1.022,465 0.701,466 0.473,467 0.399,468 19438,469 47371,470 2.12,471 47.1,472 8,473 16,477 3,478 5,480 1.781,481 2,482 3.6,483 -0.772,487 101.832,488 1.498,489 3.323,490 4.773,491 5.025,492 5.025,493 5.025,494 3.14,495 4.337,496 5.131,497 3.82,498 2406.77,499 9.066,500 38121.3,505 413.947,506 1.352,507 5.109,508 0.2,509 0.005,510 0.069,511 0.036,512 0.04,513 0.02,514 0.016,515 0.011,516 0.009,517 0.008,518 0.415,519 0.33,520 0.63,521 1.302,522 195.382,523 -0.014,524 -0.177,525 0.08,526 -0.115,527 -0.008,528 -0.017,529 -0.03,530 -0.061,531 0.052,532 -0.005,533 0.12,534 0.029,535 0.013,536 0.129,537 0.085,538 0.162,539 0.013,540 0.145,541 -0.04,542 0.053,543 0.029,544 0.076,545 -0.048,546 0.068,547 0.006,548 0.005,549 -0.004,551 -0.02,552 -0.009,553 0.046,554 -0.15,555 -0.048,556 -0.146,557 0.033,558 -0.121,559 0.004,560 0.043,561 0.069,562 -0.001,563 0.063,564 0.041,565 -0.195,566 -0.117,567 -0.354,568 -0.121,569 -0.241,570 -0.248,571 2.11,572 4.798,573 0.611,574 47.046,575 1.006,576 1.125,577 2.999,578 8.996,579 0.649,580 3.714,581 4.043,582 4.234,583 4.511,584 4.812,585 4.997,586 5.198,587 5.366,588 5.525,589 5.587,590 7.645,591 0.621,592 492.62,593 3.714,594 5.263,595 6.116,596 7,597 7.874,598 8.766,599 9.651,600 10.548,601 11.44,602 12.34,603 2.9,610 2,612 2,613 5,614 2,617 7,618 17,627 4,629 68,630 18,631 2,632 40,633 72,634 28,635 14,636 7,637 5,639 5,640 6,642 2,645 4,646 2,647 4,649 15,650 13,651 2,652 1,656 1,658 1,663 32,664 8,666 8,668 2,669 0.8,670 6,673 1,674 2,676 3,677 1,681 1,687 4,690 3,693 36,697 8,699 5,701 2,709 8.8,712 1,714 5,716 18,717 13.233,718 7.944,719 4.408,720 3.581,721 1.436,722 0.96,723 7.706,724 11.795,725 3.922,726 4.511,727 5.051,728 5.686,729 6.348,730 6.787,731 7.279,732 7.742,733 8.193,734 8.449,735 0.889,736 55,737 13.381,738 5.695,739 7.662,740 25.872,741 21.486,742 2.162,743 77.833,747 376.675,748 145.575,749 33.571,751 80.144,754 145.575,755 456.82,756 33.571,757 28.533,758 28.508,759 47.381,760 65.907,761 88.96,763 376.675,765 376.675,766 179.146,767 80.144,769 320.148,770 139,773 51.059,774 92.188,775 33.571,777 376.675,778 113.715,779 145.575,781 376.675,782 69.66,783 75.915,785 113.715,786 376.675,787 113.715,788 145.575,789 0.577,790 0.306,791 0.164,792 0.094,793 27,794 12,795 0.181,796 13,797 1,798 1.091,799 4.688,800 351.418,801 0.091,802 22,803 168.117,806 24.945,807 11.121,808 6.949,809 1.482,810 113.715,811 9.583,812 9.396,815 4.687,817 635.965,818 49.5,822 11.798,824 -0.444,825 68.421,826 76.481,827 0.246,828 0.546,829 0.784,830 0.825,831 0.825,832 0.825,833 5.178,834 2.057,835 6.098,836 6.087,837 4.727,838 5.198,839 2.897,840 6.901,841 4.627,842 6.389,843 2.038,844 7.652,845 5.973,846 4.443,847 5.147,848 2.243,849 7.832,850 4.352,851 7.705,852 1.7,853 9.301,854 5.888,855 6.344,856 7.406,857 4.07,858 10.859,859 6.173,860 9.05,861 1.289,862 11.003,863 4.953,864 6.781,865 8.118,866 4.378,867 12.555,868 6.619,869 10.423,870 1.062,871 12.74,872 3.594,873 8.207,874 9.935,875 5.682,876 15.154,877 7.984,878 11.816,879 0.864,880 14.5,881 2.068,882 8.981,883 11.033,884 6.347,885 17.212,886 8.757,887 13.225,888 0.79,889 16.279,890 1.967,891 10.217,892 12.669,893 7.44,894 19.666,895 9.949,896 3.217,897 0.616,898 18.073,899 1.872,900 11.165,901 13.974,902 8.245,903 21.904,904 10.884,905 2.868,906 11.099,907 19.88,908 1.349,909 12.325,910 15.532,911 9.246,912 24.311,913 12.011,914 2.692,915 9.157,916 21.7,917 4.586,918 13.363,919 16.943,920 10.113,921 26.634,922 13.03,923 2.667,924 8.197,925 23.529,926 3.885,927 14.499,928 18.471,929 11.073,930 29.029,931 14.137,932 2.583,933 7.425,934 25.368,935 3.515,936 15.585,937 19.934,938 11.968,939 31.393,940 15.202,941 2.342,942 7.402,943 27.215,944 2.991,945 16.716,946 21.451,947 12.908,948 33.787,949 16.306,950 2.213,951 6.899,952 29.07,953 2.84,954 17.83,955 22.941,956 13.816,957 36.171,958 17.396,959 18342,960 28848,961 27.046,962 44.159,963 59.23,964 61.765,965 60.935,966 58.673,967 58.872,968 73.126,969 12.631,970 169.408,971 55.678,972 5.597,973 5.71,974 6.523,975 5.289,976 5.217,977 7.586,978 4.281,979 18.37,980 5.132,981 16.545,982 1.481,983 1.544,984 1.523,985 1.467,986 1.472,987 1.828,988 0.316,989 4.235,990 1.392,991 4.112,992 4.134,993 4.086,994 4.025,995 7.432,996 4.036,997 3.936,998 3.973,999 3.857,1000 3.826,1001 5.092,1002 3.826,1003 3.89,1004 3.94,1005 3.76,1006 3.784,1007 4.876,1008 3.771,1009 3.809,1010 3.835,1011 3.718,1012 3.732,1013 4.734,1014 3.726,1015 3.643,1016 3.663,1017 3.567,1018 3.391,1019 4.55,1020 3.426,1021 3.513,1022 3.559,1023 3.431,1024 3.313,1025 4.502,1026 3.33,1027 3.33,1028 3.39,1029 3.141,1030 3.119,1031 4.388,1032 3.116,1033 3.214,1034 3.29,1035 3.026,1036 2.989,1037 4.307,1038 2.991,1039 0.116,1040 0.093,1041 0.169,1042 0.105,1043 0.08,1044 4.646,1045 0.115,1046 3.71,1047 0.063,1048 6.749,1049 0.277,1050 4.19,1051 0.078,1052 3.217,1053 4.586,1054 2.513,1055 11.099,1056 3.132,1057 2.04,1058 2.023,1059 2.089,1060 2.141,1061 1.236,1062 2.125,1063 1.827,1064 1.815,1065 1.914,1066 1.946,1067 1.07,1068 1.934,1069 1.534,1070 1.499,1071 1.812,1072 1.809,1073 1.03,1074 1.796,1075 1.459,1076 1.407,1077 1.69,1078 1.689,1079 0.97,1080 1.688,1081 1.42,1082 1.372,1083 1.673,1084 1.643,1085 0.943,1086 1.651,1087 1.376,1088 1.318,1089 1.637,1090 1.563,1091 0.825,1092 1.589,1093 1.294,1094 1.239,1095 1.567,1096 1.555,1097 0.825,1098 1.562,1099 1.183,1100 1.105,1101 1.541,1102 1.468,1103 0.746,1104 1.5,1105 4.394,1106 2.565,1107 5.72,1108 4.394,1109 7.236,1110 6.107,1111 8.846,1112 7.779,1113 10.509,1114 5.164,1119 6.398,1121 28.484,1123 1.285,1128 42.234,1129 101.832,1130 225.982,1131 324.563,1132 341.683,1133 341.683,1134 341.683,1135 63.468,1136 8.214,1137 89,1138 89,1139 24,1140 12.864,1141 4.248,1142 3.392,1143 54.116,1144 159,1145 206,1146 0.161,1147 253.609,1148 449.44,1149 610.565,1150 42722,1152 25.07,1153 0.696,1154 0.585,1155 25.07,1156 21.042,1157 17.517,1158 0.438,1159 0.314,1160 12.359,1161 16.629,1162 12.028,1163 9.934,1164 17.517,1165 12.579,1166 15.776,1167 0.282,1168 0.168,1169 15.776,1170 9.435,1171 12.045,1172 0.177,1173 0.084,1174 12.045,1175 5.685,1176 10.027,1177 0.111,1178 0.041,1179 10.027,1180 3.721,1181 8.412,1182 0.069,1183 0.021,1184 8.412,1185 2.579,1186 0.251,1187 111.242,1188 0.192,1189 32.851,1190 0.447,1191 192,1192 601.703,1193 215.538,1194 552.903,1195 758.49,1196 524,1197 226,1198 555.634,1199 249.099,1200 553.047,1201 815.19,1202 520,1203 4.215}
{0 CHEMBL97214,1 1.501,2 11.543,3 5.224,4 27.289,5 130.751,6 7.173,7 0.436,8 4.313,9 4.411,10 3.851,11 3.795,12 5.352,13 3.79,14 4.854,15 5.018,16 4.109,17 4.099,18 5.87,19 4.071,20 5.007,21 5.199,22 4.222,23 4.182,24 6.021,25 4.157,26 4.974,27 5.152,28 4.257,29 4.232,30 6.007,31 4.21,32 5.045,33 5.207,34 4.359,35 4.362,36 6.095,37 4.329,38 5.179,39 5.343,40 4.399,41 4.443,42 6.217,43 4.393,44 5.279,45 5.48,46 4.406,47 4.446,48 6.284,49 4.386,50 5.271,51 5.463,52 4.288,53 4.421,54 6.218,55 4.344,56 0.06,57 0.908,58 14.849,59 6.765,60 10.106,61 8.421,62 0.504,63 1.38,64 28.826,65 10.461,66 43.266,67 13.447,68 0.714,69 1.557,70 34.84,71 11.57,72 54.369,73 15.428,74 0.599,75 1.606,76 32.644,77 11.168,78 46.017,79 14.927,80 0.548,81 1.769,82 33.98,83 12.809,84 45.706,85 16.864,86 0.641,87 1.967,88 39.163,89 14.756,90 56.426,91 19.434,92 0.949,93 2.082,94 45.214,95 15.507,96 72.161,97 21.243,98 0.848,99 2.034,100 44.91,101 15.526,102 64.898,103 20.772,104 24,105 54,106 0.238,107 0.515,108 0.717,109 0.797,110 0.797,111 0.797,112 3.589,113 0.949,114 -3.7,115 -3.67,116 -3.49,117 40.3,118 1,119 4,120 2,122 1,123 5,128 5,129 2,130 4,132 2,135 1,145 9,147 3,148 13,152 5,155 1,156 13,157 1,159 5,162 2,163 10,167 7,170 4,171 9,174 1,175 13,178 2,179 7,181 1,182 1,183 10,186 5,187 12,189 1,190 1,191 10,194 2,195 6,200 7,202 2,203 8,205 2,207 1,208 11,210 2497,211 24.384,212 24.384,213 24.384,214 24.384,215 24.384,216 22.518,217 24.17,218 14.629,219 25.303,220 19.205,221 19.205,222 19.205,223 19.205,224 19.205,225 16.054,226 27.367,227 6.844,228 20.543,229 4.566,230 2.816,231 1.539,232 1.037,233 1.037,234 1.037,235 4.284,239 1,240 883,241 3.937,242 128.659,244 294.959,245 158.039,246 1.816,247 36.423,250 1,251 0.67,252 0.83,253 1,254 1,255 0.83,256 0.5,257 0.83,258 77,259 404,260 4.649,261 3.329,262 6.752,263 4.191,264 3.221,265 4.588,266 0.86,267 11.116,268 3.13,269 4.233,270 3.133,271 6.161,272 3.822,273 2.866,274 3.885,275 0.86,276 9.154,277 2.739,278 4.002,279 2.986,280 5.827,281 3.657,282 2.693,283 3.522,284 0.86,285 8.22,286 2.635,287 3.679,288 2.823,289 5.521,290 3.654,291 2.667,292 3.015,293 0.86,294 7.425,295 2.627,296 3.673,297 2.694,298 5.504,299 3.543,300 2.589,301 2.847,302 0.86,303 7.409,304 2.432,305 3.595,306 2.591,307 5.395,308 3.196,309 2.284,310 2.733,312 6.965,313 2.089,314 3.485,315 2.428,316 5.285,317 3.046,318 2.113,319 2.643,320 6.638,321 1.94,322 3.331,323 2.318,324 4.991,325 2.973,326 2.057,327 2.523,328 5.973,329 1.871,330 3.089,331 2.252,332 4.729,333 2.692,334 1.775,335 2.304,336 5.036,337 1.626,338 2.678,339 1.735,340 4.276,341 2.387,342 1.455,343 1.717,344 3.705,345 1.338,346 2.389,347 1.501,348 3.605,349 2.073,350 1.155,351 1.372,352 2.524,353 1.052,354 2.186,355 1.48,356 3.349,357 1.983,358 1.088,359 1.166,360 2.02,361 0.964,362 1.94,363 1.245,364 3.31,365 1.768,366 0.861,367 0.912,368 1.964,369 0.772,370 1.898,371 1.161,372 3.307,373 1.711,374 0.79,375 0.853,376 1.872,377 0.718,378 1.791,379 0.981,380 3.014,381 1.469,382 0.57,383 0.677,384 1.109,385 0.508,386 16.3,387 0.466,388 0.683,389 0.02,390 41.75,391 1.193,392 18.5,393 0.529,394 23.25,395 0.664,396 34.441,397 0.984,398 39.5,399 0.59,400 33.838,401 0.967,402 7.708,403 0.22,404 9.452,405 0.27,406 0.082,408 0.337,410 0.892,411 1.359,412 0.804,413 1.248,414 0.897,415 1.047,416 1.231,417 1.065,418 0.979,419 1.025,420 0.977,421 0.97,422 1.196,423 0.985,424 0.839,425 0.839,426 0.951,427 0.779,428 1.13,429 0.997,430 0.896,431 0.869,432 0.872,433 0.83,434 0.957,435 1.071,436 0.932,437 1.033,438 0.805,439 0.981,440 0.971,441 1.262,442 1.048,443 1.223,444 0.914,445 1.161,446 0.873,447 1.04,448 0.952,449 1.045,450 0.836,451 1.01,452 1.17,453 1.179,454 1.171,455 1.154,456 1.167,457 1.161,458 7,459 0.177,460 3,461 1.882,462 2.252,463 1.223,464 0.98,465 0.686,466 0.448,467 0.354,468 17237,469 41191,470 2.141,471 47.8,472 8,473 18,476 1,478 5,480 1.777,481 2.039,482 3.452,483 -0.373,487 100.536,488 1.501,489 3.25,490 4.527,491 5.029,492 5.029,493 5.029,494 2.919,495 4.558,496 5.093,497 3.654,498 2174.35,499 9.007,500 33470.8,505 406.428,506 1.271,507 5.076,508 0.179,509 0.004,510 0.063,511 0.035,512 0.04,513 0.019,514 0.016,515 0.011,516 0.008,517 0.007,518 0.382,519 0.33,520 0.63,521 1.137,522 186.654,523 -0.039,524 -0.16,525 0.072,526 -0.095,527 -0.047,528 -0.005,529 -0.065,530 -0.002,532 0.002,533 0.03,534 0.006,536 0.031,537 0.168,538 0.15,539 0.052,540 0.185,541 -0.051,542 0.106,543 0.079,544 0.134,545 -0.028,546 0.136,547 0.007,548 0.06,549 0.008,550 0.013,551 0.022,552 0.009,553 0.022,554 -0.171,555 -0.103,556 -0.176,557 0.006,558 -0.167,559 0.134,560 0.01,561 0.025,562 -0.054,563 0.093,564 -0.036,565 -0.077,566 -0.152,567 -0.188,568 -0.154,569 -0.16,570 -0.188,571 1.6,572 3.192,573 0.629,574 41.858,575 1.006,576 1.127,577 2.471,578 6.104,579 0.644,580 3.689,581 4.007,582 4.22,583 4.511,584 4.828,585 5.03,586 5.242,587 5.421,588 5.576,589 5.631,590 7.044,591 0.615,592 480.61,593 3.689,594 5.231,595 6.089,596 6.974,597 7.855,598 8.751,599 9.642,600 10.543,601 11.44,602 12.344,603 3,610 2,612 2,613 5,614 2,617 7,618 17,627 5,629 67,630 17,631 2,632 39,633 71,634 27,635 14,636 7,637 5,639 5,640 6,642 2,645 4,646 2,647 4,649 14,650 13,651 2,663 32,664 8,665 1,666 8,668 2,669 0.8,670 6,671 1,673 1,674 2,676 3,677 1,685 1,687 4,690 2,693 35,696 1,697 9,699 5,701 2,709 9,710 1,714 5,716 17.167,717 12.517,718 7.861,719 4.342,720 3.505,721 1.431,722 0.947,723 7.685,724 11.646,725 3.882,726 4.466,727 5.039,728 5.691,729 6.364,730 6.818,731 7.323,732 7.79,733 8.232,734 8.489,735 0.875,736 54,737 12.998,738 5.521,739 7.633,740 25.237,741 21.013,742 2.133,743 74.667,747 364.904,748 131.616,749 33.571,751 97.683,754 131.616,755 462.587,756 33.571,757 19.708,758 28.508,759 90.065,760 33.571,761 86.633,762 4.386,763 364.904,765 364.904,766 165.187,767 97.683,769 306.049,770 113.855,771 42.683,773 46.62,774 84.997,775 33.571,777 364.904,778 131.254,779 131.616,781 364.904,782 64.527,783 67.089,785 131.254,786 364.904,787 131.254,788 131.616,789 0.568,790 0.305,791 0.17,792 0.102,793 26,794 11,795 0.183,796 13,797 1,798 1.091,799 4.574,800 342.868,801 0.091,802 22,803 161.525,806 24.262,807 11.086,808 6.616,809 1.436,810 131.254,811 9.59,812 9.326,815 4.377,816 42.683,817 627.774,818 47.5,825 67.421,826 75.481,827 0.247,828 0.536,829 0.746,830 0.829,831 0.829,832 0.829,833 5.131,834 2.057,835 6.061,836 6.638,837 4.691,838 5.153,839 2.128,840 6.87,841 4.576,842 6.334,843 1.775,844 7.615,845 5.973,846 4.369,847 5.075,849 7.811,850 4.261,851 7.647,852 1.455,853 9.267,854 5.036,855 6.308,856 7.371,857 1.867,858 10.85,859 6.119,860 8.994,861 1.155,862 10.974,863 3.705,864 6.735,865 8.082,867 12.558,868 6.553,869 10.37,870 1.088,871 12.716,872 2.524,873 8.179,874 9.917,875 1.619,876 15.16,877 7.938,878 11.768,879 0.861,880 14.482,881 2.02,882 8.955,883 11.019,885 17.223,886 8.712,887 13.184,888 0.79,889 16.266,890 1.964,891 10.2,892 12.663,893 1.384,894 19.678,895 9.914,896 3.221,897 0.57,898 18.065,899 1.872,900 11.152,901 13.971,903 21.918,904 10.853,905 2.866,906 11.116,907 19.877,908 1.109,909 12.318,910 15.533,911 1.167,912 24.325,913 11.985,914 2.693,915 9.154,916 21.699,917 4.588,918 13.36,919 16.945,921 26.65,922 13.008,923 2.667,924 8.22,925 23.531,926 3.885,927 14.499,928 18.474,929 0.97,930 29.046,931 14.117,932 2.589,933 7.425,934 25.372,935 3.522,936 15.589,937 19.939,939 31.411,940 15.183,941 2.284,942 7.409,943 27.221,944 3.015,945 16.723,946 21.456,947 0.793,948 33.807,949 16.289,950 2.113,951 6.965,952 29.076,953 2.847,954 17.84,955 22.947,957 36.192,958 17.38,959 16253,960 25331,961 26.641,962 43.159,963 57.024,964 59.201,965 59.093,966 56.681,967 56.901,968 70.086,969 8.6,970 163.078,971 53.324,972 5.6,973 5.329,974 6.613,975 5.29,976 5.221,977 7.588,978 1.72,979 18.387,980 5.13,981 14.186,982 1.462,983 1.518,984 1.515,985 1.453,986 1.459,987 1.797,988 0.221,989 4.181,990 1.367,991 4.109,992 4.128,993 4.085,994 4.02,995 6.457,996 4.032,997 3.935,998 3.972,999 3.856,1000 3.826,1001 5.129,1002 3.826,1003 3.89,1004 3.94,1005 3.76,1006 3.784,1007 4.878,1008 3.771,1009 3.808,1010 3.834,1011 3.716,1012 3.732,1013 4.791,1014 3.726,1015 3.584,1016 3.62,1017 3.507,1018 3.343,1019 4.55,1020 3.373,1021 3.494,1022 3.55,1023 3.331,1024 3.27,1025 4.448,1026 3.271,1027 3.359,1028 3.413,1029 3.205,1030 3.139,1031 4.389,1032 3.148,1033 3.155,1034 3.218,1035 3.022,1036 2.946,1037 4.283,1038 2.955,1039 0.119,1040 0.085,1041 0.173,1042 0.107,1043 0.083,1044 4.649,1045 0.118,1046 3.329,1047 0.022,1048 6.752,1049 0.285,1050 4.191,1051 0.08,1052 3.221,1053 4.588,1054 0.86,1055 11.116,1056 3.13,1057 2.034,1058 2.019,1059 2.079,1060 2.137,1061 1.231,1062 2.118,1063 1.826,1064 1.814,1065 1.913,1066 1.946,1067 1.071,1068 1.934,1069 1.504,1070 1.456,1071 1.802,1072 1.772,1073 1.03,1074 1.77,1075 1.448,1076 1.389,1077 1.724,1078 1.708,1079 0.977,1080 1.718,1081 1.42,1082 1.372,1083 1.673,1084 1.643,1085 0.94,1086 1.651,1087 1.382,1088 1.327,1089 1.639,1090 1.591,1091 0.929,1092 1.602,1093 1.278,1094 1.225,1095 1.58,1096 1.541,1097 0.825,1098 1.558,1099 1.153,1100 1.064,1101 1.513,1102 1.376,1103 0.825,1104 1.429,1105 4.369,1106 2.565,1107 5.687,1108 4.394,1109 7.204,1110 6.107,1111 8.82,1112 7.779,1113 10.492,1114 3.478,1118 9.192,1119 6.796,1121 29.193,1123 1.279,1128 41.234,1129 100.536,1130 217.778,1131 303.334,1132 336.918,1133 336.918,1134 336.918,1135 58.799,1136 8.141,1137 92.16,1138 92.16,1139 24,1140 12.865,1141 4.17,1142 3.248,1143 51.652,1144 141,1145 174,1146 0.171,1147 246.944,1148 434.78,1149 594.302,1150 37619,1152 24.2,1153 0.691,1154 0.58,1155 24.2,1156 20.288,1157 17.161,1158 0.44,1159 0.316,1160 12.11,1161 16.264,1162 11.855,1163 9.76,1164 17.161,1165 12.338,1166 14.997,1167 0.278,1168 0.168,1169 14.997,1170 9.082,1171 11.721,1172 0.175,1173 0.082,1174 11.721,1175 5.524,1176 9.833,1177 0.109,1178 0.04,1179 9.833,1180 3.594,1181 8.463,1182 0.068,1183 0.02,1184 8.463,1185 2.529,1186 0.263,1187 109.237,1188 0.194,1189 31.802,1190 0.489,1191 186,1192 574.118,1193 208.874,1194 525.35,1195 724.93,1196 500,1197 220,1198 531.513,1199 242.657,1200 528.636,1201 784.69,1202 498,1203 7.155}
{0 CHEMBL97785,1 1.526,2 11.649,3 4.223,4 17.835,5 140.891,6 7.079,7 0.415,8 4.382,9 4.488,10 3.899,11 3.851,12 5.424,13 3.844,14 4.919,15 5.091,16 4.149,17 4.171,18 5.922,19 4.132,20 5.11,21 5.321,22 4.265,23 4.26,24 6.105,25 4.22,26 5.083,27 5.283,28 4.296,29 4.301,30 6.099,31 4.264,32 5.115,33 5.291,34 4.402,35 4.422,36 6.147,37 4.38,38 5.249,39 5.427,40 4.458,41 4.509,42 6.307,43 4.453,44 5.35,45 5.559,46 4.469,47 4.526,48 6.336,49 4.463,50 5.351,51 5.543,52 4.395,53 4.527,54 6.311,55 4.451,56 0.087,57 1.001,58 16.368,59 7.048,60 13.242,61 9.059,62 0.463,63 1.519,64 30.864,65 11.078,66 44.457,67 14.629,68 0.751,69 1.737,70 38.968,71 12.356,72 62.425,73 17.363,74 0.731,75 1.778,76 37.295,77 12.005,78 57.926,79 16.868,80 0.558,81 1.941,82 36.924,83 13.402,84 47.337,85 18.484,86 0.691,87 2.172,88 42.49,89 15.094,90 69,91 20.957,92 0.833,93 2.26,94 48.628,95 16.363,96 69.895,97 23,98 0.865,99 2.255,100 48.549,101 16.503,102 67.545,103 22.72,104 28,105 56,106 0.238,107 0.533,108 0.718,109 0.81,110 0.815,111 0.815,112 3.643,113 0.955,114 -3.16,115 -3.15,116 -3.03,117 38.9,119 5,120 2,122 1,123 6,128 5,129 2,130 4,132 2,135 1,145 9,147 1,148 12,150 2,151 2,152 5,155 1,156 13,157 1,159 5,162 2,163 7,165 1,166 3,167 7,170 4,171 6,174 4,175 13,178 1,179 7,181 4,182 1,183 10,186 2,187 11,189 4,190 2,191 10,194 2,195 6,199 3,200 7,202 2,203 6,205 1,206 1,207 6,208 11,210 3018,211 25.798,212 25.798,213 25.798,214 25.798,215 25.798,216 23.932,217 27.762,218 15.654,219 26.602,220 20.205,221 20.205,222 20.205,223 20.205,224 20.205,225 17.054,226 35.758,227 7.392,228 21.445,229 4.644,230 2.761,231 1.577,232 0.983,233 0.955,234 0.955,235 4.338,239 1,240 935,241 4.183,242 135.895,244 316.626,245 170.977,246 1.82,247 40.582,250 0.75,251 0.5,252 0.67,253 0.9,254 1,255 0.67,256 0.5,257 0.71,258 81.5,259 431,260 4.649,261 3.321,262 6.752,263 4.193,264 3.221,265 4.588,266 0.86,267 11.116,268 3.132,269 4.233,270 3.13,271 6.161,272 3.822,273 2.866,274 3.885,275 0.86,276 9.154,277 2.739,278 4.002,279 2.945,280 5.827,281 3.658,282 2.693,283 3.522,284 0.86,285 8.22,286 2.635,287 3.679,288 2.823,289 5.521,290 3.654,291 2.667,292 3.015,293 0.86,294 7.425,295 2.627,296 3.674,297 2.648,298 5.504,299 3.547,300 2.59,301 2.848,302 0.4,303 7.409,304 2.441,305 3.596,306 2.467,307 5.395,308 3.224,309 2.292,310 2.733,312 6.968,313 2.129,314 3.487,315 2.428,316 5.288,317 3.065,318 2.118,319 2.643,320 6.649,321 1.995,322 3.331,323 2.308,324 4.991,325 2.973,326 2.057,327 2.523,328 5.973,329 1.871,330 3.09,331 2.243,332 4.729,333 2.698,334 1.778,335 2.305,336 5.038,337 1.636,338 2.684,339 1.82,340 4.276,341 2.547,342 1.593,343 1.722,344 3.708,345 1.513,346 2.633,347 1.735,348 3.691,349 2.387,350 1.455,351 1.638,352 3.118,353 1.338,354 2.379,355 1.483,356 3.512,357 2.06,358 1.142,359 1.361,360 2.493,361 1.04,362 1.944,363 1.265,364 3.349,365 1.77,366 0.864,367 0.916,368 2.017,369 0.773,370 1.917,371 1.172,372 3.307,373 1.711,374 0.791,375 0.86,376 1.872,377 0.718,378 1.898,379 1.161,380 3.227,381 1.69,382 0.79,383 0.853,384 1.533,385 0.706,386 17.2,387 0.465,388 0.683,389 0.018,390 43,391 1.162,392 18.5,393 0.5,394 24.5,395 0.662,396 37.495,397 1.013,398 42.2,399 0.586,400 36.039,401 0.974,402 7.987,403 0.216,404 10.174,405 0.275,406 0.068,408 0.32,410 0.938,411 1.363,412 0.842,413 1.22,414 0.939,415 1.042,416 1.207,417 1.101,418 1.022,419 1.082,420 0.971,421 1.031,422 1.109,423 1.012,424 0.85,425 0.859,426 0.881,427 0.809,428 1.087,429 0.959,430 0.897,431 0.819,432 0.832,433 0.811,434 0.872,435 1.147,436 0.912,437 1.04,438 0.706,439 0.988,440 0.868,441 1.242,442 1.036,443 1.193,444 0.74,445 1.148,446 0.915,447 1.039,448 0.953,449 1.043,450 0.754,451 1.005,452 1.144,453 1.213,454 1.169,455 1.171,456 1.001,457 1.174,458 7,459 0.227,460 3,461 1.882,462 2.252,463 1.223,464 1.001,465 0.729,466 0.481,467 0.389,468 19927,469 48499,470 2.133,471 48.6,472 8,473 20,476 3,478 2,479 2,480 1.792,481 2.037,482 3.49,483 0.782,487 109.839,488 1.526,489 3.409,490 4.593,491 5.187,492 5.215,493 5.215,494 2.943,495 4.561,496 5.171,497 3.706,498 2468.35,499 9.172,500 39973.2,505 444.235,506 1.241,507 5.159,508 0.171,509 0.004,510 0.06,511 0.034,512 0.038,513 0.019,514 0.015,515 0.011,516 0.008,517 0.007,518 0.366,519 0.33,520 0.63,521 1.324,522 201.117,523 -0.07,524 -0.119,525 0.053,526 -0.045,527 -0.074,528 0.018,529 -0.109,530 -0.003,531 -0.05,532 -0.034,533 -0.039,534 -0.037,535 0.005,536 0.012,537 0.151,538 0.128,539 0.018,540 0.163,541 -0.031,542 0.132,543 0.089,544 0.179,545 -0.033,546 0.162,547 0.018,548 0.004,549 0.028,550 0.021,551 0.006,552 0.022,553 0.046,554 -0.1,555 -0.092,556 -0.147,557 0.047,558 -0.147,559 0.049,560 0.03,561 0.018,562 -0.038,563 0.032,564 -0.019,565 -0.086,566 -0.152,567 -0.194,568 -0.148,569 -0.123,570 -0.186,571 1.61,572 3.232,573 0.595,574 47.394,575 1.006,576 1.13,577 1.93,578 3.725,579 0.638,580 3.738,581 4.043,582 4.248,583 4.533,584 4.852,585 5.056,586 5.273,587 5.468,588 5.638,589 5.714,590 7.363,591 0.608,592 509.66,593 3.738,594 5.273,595 6.125,596 7.004,597 7.88,598 8.772,599 9.661,600 10.559,601 11.455,602 12.358,603 4.2,606 1,610 2,612 2,613 5,614 2,617 7,618 17,623 1,627 4,629 72,630 17,631 2,632 41,633 76,634 28,635 14,636 7,637 5,639 5,640 6,642 2,645 4,646 2,647 5,649 14,650 14,651 2,663 35,664 9,665 3,666 9,668 3,669 0.8,670 6,671 2,673 1,674 2,676 3,677 1,685 2,687 4,690 1,693 37,696 2,697 11,698 1,699 4,701 2,709 8.3,710 2,714 4,716 18.167,717 12.8,718 8.361,719 4.504,720 3.496,721 1.424,722 0.936,723 8.743,724 11.735,725 3.922,726 4.489,727 5.051,728 5.698,729 6.371,730 6.826,731 7.334,732 7.808,733 8.257,734 8.525,735 0.875,736 56,737 13.749,738 5.843,739 7.68,740 26.669,741 22.258,742 2.18,743 80.667,747 376.675,748 120.352,749 51.582,751 129.366,754 120.352,755 506.042,756 51.582,757 10.883,758 28.556,759 132.748,760 51.582,761 75.633,762 1.899,763 376.675,765 376.675,766 171.934,767 129.366,769 329.591,770 91.084,771 85.367,773 35.355,774 84.997,775 51.582,777 376.675,778 180.948,779 120.352,781 376.675,782 62.088,783 58.264,784 18.011,785 162.937,786 376.675,787 180.948,788 120.352,789 0.564,790 0.3,791 0.163,792 0.099,793 26,794 11,795 0.197,796 15,797 1,798 1.091,799 4.742,800 366.397,801 0.091,802 22,803 174.75,806 26.14,807 12.375,808 7.526,809 1.448,810 180.948,811 9.601,812 9.55,815 4.528,816 103.377,817 677.975,818 49.5,825 72.407,826 81.395,827 0.247,828 0.552,829 0.744,830 0.841,831 0.845,832 0.845,833 5.166,834 2.057,835 6.089,836 6.649,837 4.727,838 5.176,839 1.979,840 6.887,841 4.621,842 6.358,843 1.778,844 7.635,845 5.973,846 4.369,847 5.075,849 7.811,850 4.268,851 7.665,852 1.593,853 9.28,854 5.038,855 6.33,856 7.379,857 1.691,858 10.854,859 6.152,860 9.006,861 1.455,862 10.983,863 3.708,864 6.735,865 8.082,867 12.558,868 6.562,869 10.379,870 1.142,871 12.722,872 3.118,873 8.19,874 9.919,875 1.446,876 15.161,877 7.96,878 11.774,879 0.864,880 14.486,881 2.493,882 8.955,883 11.019,885 17.224,886 8.721,887 13.188,888 0.791,889 16.269,890 2.017,891 10.206,892 12.664,893 1.222,894 19.678,895 9.929,896 3.221,897 0.79,898 18.067,899 1.872,900 11.152,901 13.971,903 21.918,904 10.862,905 2.866,906 11.116,907 19.878,908 1.533,909 12.321,910 15.533,911 1.019,912 24.325,913 11.997,914 2.693,915 9.154,916 21.7,917 4.588,918 13.361,919 16.945,921 26.65,922 13.017,923 2.667,924 8.22,925 23.532,926 3.885,927 14.501,928 18.474,929 0.837,930 29.046,931 14.128,932 2.59,933 7.425,934 25.372,935 3.522,936 15.59,937 19.939,939 31.411,940 15.193,941 2.292,942 7.409,943 27.221,944 3.015,945 16.724,946 21.456,947 0.677,948 33.807,949 16.3,950 2.118,951 6.968,952 29.076,953 2.848,954 17.84,955 22.947,957 36.192,958 17.391,959 18899,960 29655,961 28.027,962 45.926,963 59.504,964 61.706,965 61.476,966 59.23,967 59.435,968 72.62,969 7.68,970 168.162,971 55.98,972 5.6,973 5.321,974 6.662,975 5.291,976 5.221,977 7.588,978 1.72,979 18.388,980 5.132,981 14.875,982 1.451,983 1.505,984 1.499,985 1.445,986 1.45,987 1.771,988 0.187,989 4.102,990 1.365,991 4.113,992 4.136,993 4.087,994 4.022,995 6.459,996 4.035,997 3.936,998 3.973,999 3.857,1000 3.826,1001 6.454,1002 3.826,1003 3.89,1004 3.94,1005 3.76,1006 3.784,1007 5.098,1008 3.771,1009 3.809,1010 3.835,1011 3.716,1012 3.732,1013 4.876,1014 3.726,1015 3.665,1016 3.729,1017 3.55,1018 3.471,1019 4.742,1020 3.474,1021 3.541,1022 3.584,1023 3.413,1024 3.312,1025 4.55,1026 3.333,1027 3.402,1028 3.45,1029 3.273,1030 3.17,1031 4.444,1032 3.187,1033 3.183,1034 3.26,1035 3.024,1036 2.948,1037 4.312,1038 2.958,1039 0.113,1040 0.081,1041 0.165,1042 0.102,1043 0.079,1044 4.649,1045 0.112,1046 3.321,1047 0.021,1048 6.752,1049 0.271,1050 4.193,1051 0.076,1052 3.221,1053 4.588,1054 0.86,1055 11.116,1056 3.132,1057 2.037,1058 2.02,1059 2.083,1060 2.142,1061 1.237,1062 2.124,1063 1.827,1064 1.814,1065 1.916,1066 1.947,1067 1.167,1068 1.936,1069 1.629,1070 1.563,1071 1.88,1072 1.855,1073 1.071,1074 1.864,1075 1.465,1076 1.42,1077 1.725,1078 1.734,1079 1.03,1080 1.729,1081 1.42,1082 1.372,1083 1.673,1084 1.643,1085 0.977,1086 1.651,1087 1.383,1088 1.329,1089 1.639,1090 1.61,1091 0.931,1092 1.607,1093 1.306,1094 1.254,1095 1.583,1096 1.551,1097 0.825,1098 1.569,1099 1.153,1100 1.064,1101 1.513,1102 1.439,1103 0.825,1104 1.443,1105 4.419,1106 2.565,1107 5.727,1108 4.394,1109 7.233,1110 6.107,1111 8.84,1112 7.779,1113 10.506,1114 1.578,1118 18.446,1119 7.466,1120 3.208,1121 23.587,1123 1.256,1128 43.782,1129 109.839,1130 245.414,1131 330.677,1132 373.48,1133 375.48,1134 375.48,1135 68.677,1136 8.239,1137 115.19,1138 115.19,1139 24,1140 12.88,1141 4.17,1142 3.248,1143 56.099,1144 154,1145 186,1146 0.168,1147 263.33,1148 463.08,1149 634.286,1150 42464,1152 25.614,1153 0.692,1154 0.574,1155 25.614,1156 21.241,1157 18.161,1158 0.443,1159 0.318,1160 12.822,1161 17.251,1162 12.599,1163 10.359,1164 18.161,1165 13.057,1166 15.704,1167 0.28,1168 0.173,1169 15.704,1170 9.694,1171 12.24,1172 0.177,1173 0.085,1174 12.24,1175 5.889,1176 10.108,1177 0.11,1178 0.041,1179 10.108,1180 3.779,1181 8.743,1182 0.069,1183 0.021,1184 8.743,1185 2.674,1186 0.259,1187 115.49,1188 0.189,1189 33.33,1190 0.478,1191 194,1192 584.865,1193 216.381,1194 538.872,1195 738.45,1196 512,1197 228,1198 533.263,1199 250.329,1200 532.553,1201 787.91,1202 502,1203 6.469}
{0 CHEMBL97817,1 1.469,2 11.529,3 4.993,4 24.931,5 126.344,6 7.04,7 0.447,8 4.291,9 4.394,10 3.815,11 3.797,12 5.31,13 3.78,14 4.832,15 5.003,16 4.073,17 4.11,18 5.806,19 4.068,20 5.006,21 5.208,22 4.199,23 4.195,24 6.011,25 4.158,26 4.973,27 5.158,28 4.213,29 4.25,30 5.974,31 4.21,32 5.028,33 5.191,34 4.316,35 4.387,36 6.036,37 4.33,38 5.186,39 5.363,40 4.347,41 4.463,42 6.183,43 4.39,44 5.293,45 5.513,46 4.333,47 4.436,48 6.238,49 4.361,50 5.243,51 5.441,52 4.208,53 4.391,54 6.174,55 4.302,56 0.027,57 0.897,58 14.837,59 6.723,60 9.623,61 8.53,62 0.303,63 1.39,64 28.153,65 10.491,66 34.3,67 13.723,68 0.618,69 1.599,70 34.862,71 11.56,72 54.316,73 15.752,74 0.55,75 1.619,76 32.909,77 11.438,78 45.759,79 15.421,80 0.413,81 1.762,82 33.369,83 13.53,84 38.936,85 17.936,86 0.411,87 2.015,88 39.612,89 15.325,90 52.642,91 20.616,92 0.621,93 2.109,94 46.376,95 15.85,96 65.406,97 21.91,98 0.83,99 1.98,100 44.348,101 15.088,102 66.054,103 20.224,104 21,105 53,106 0.233,107 0.524,108 0.729,109 0.793,110 0.793,111 0.793,112 3.561,113 0.963,114 -4.04,115 -3.99,116 -3.78,117 40.9,118 1,119 5,120 2,122 1,123 4,128 5,129 2,130 4,132 2,134 1,145 10,147 1,148 14,152 5,155 1,156 15,157 1,159 5,162 2,163 5,167 10,170 4,171 6,174 1,175 19,178 1,179 8,181 1,182 1,183 10,186 2,187 15,189 1,190 1,191 8,194 2,195 8,200 8,202 2,203 3,205 1,207 2,208 12,210 2272,211 23.676,212 23.676,213 23.676,214 23.676,215 23.676,216 21.811,217 22.416,218 14.024,219 24.372,220 18.667,221 18.667,222 18.667,223 18.667,224 18.667,225 15.493,226 23.024,227 6.548,228 19.736,229 4.576,230 2.749,231 1.453,232 1.053,233 1.053,234 1.053,235 4.256,238 1,239 1,240 860,241 3.808,242 125.215,244 284.991,245 152.049,246 1.855,247 32.938,250 1,251 0.67,252 0.83,253 1,254 1,255 0.83,256 0.5,257 0.83,258 74,259 392,260 4.649,261 3.323,262 6.752,263 4.193,264 3.22,265 4.588,266 0.86,267 11.114,268 3.135,269 4.233,270 3.131,271 6.161,272 3.822,273 2.866,274 3.885,275 0.86,276 9.154,277 2.739,278 4.001,279 2.953,280 5.827,281 3.658,282 2.692,283 3.521,284 0.86,285 8.216,286 2.635,287 3.679,288 2.823,289 5.521,290 3.654,291 2.667,292 3.011,293 0.86,294 7.425,295 2.627,296 3.671,297 2.651,298 5.504,299 3.548,300 2.587,301 2.841,303 7.407,304 2.449,305 3.589,306 2.477,307 5.395,308 3.218,309 2.266,310 2.733,312 6.94,313 2.151,314 3.479,315 2.428,316 5.26,317 3.058,318 2.103,319 2.643,320 6.535,321 2,322 3.331,323 2.307,324 4.991,325 2.973,326 2.057,327 2.523,328 5.973,329 1.871,330 3.088,331 2.241,332 4.727,333 2.692,334 1.773,335 2.303,336 5.028,337 1.629,338 2.677,339 1.735,340 4.276,341 2.387,342 1.455,343 1.715,344 3.703,345 1.338,346 2.383,347 1.483,348 3.579,349 2.061,350 1.142,351 1.365,352 2.502,353 1.042,354 1.943,355 1.255,356 3.349,357 1.77,358 0.863,359 0.915,360 2.017,361 0.773,362 1.899,363 1.161,364 3.307,365 1.711,366 0.79,367 0.853,368 1.872,369 0.718,370 1.898,371 1.003,372 3.249,373 1.625,374 0.695,375 0.809,376 1.405,377 0.641,378 1.526,379 0.872,380 2.829,381 1.302,382 0.364,383 0.413,384 0.549,385 0.34,386 15.967,387 0.47,388 0.683,389 0.02,390 40.25,391 1.184,392 18,393 0.529,394 22.25,395 0.654,396 33.867,397 0.996,398 38.033,399 0.576,400 31.663,401 0.931,402 7.275,403 0.214,404 9.386,405 0.276,406 0.084,408 0.344,410 0.882,411 1.314,412 0.824,413 1.207,414 0.894,415 1.038,416 1.251,417 1.14,418 0.98,419 1.056,420 0.989,421 0.988,422 1.195,423 0.967,424 0.858,425 0.826,426 0.947,427 0.784,428 1.179,429 0.906,430 0.947,431 0.828,432 0.906,433 0.832,434 0.823,435 1.116,436 0.929,437 1.095,438 0.7,439 1.046,440 0.906,441 1.292,442 1.063,443 1.262,444 0.877,445 1.201,446 1.061,447 1.018,448 0.978,449 1.018,450 0.923,451 0.981,452 1.373,453 1.098,454 1.241,455 1.072,456 1.247,457 1.125,458 7,459 0.161,460 3,461 1.882,462 2.252,463 1.195,464 0.94,465 0.67,466 0.415,467 0.318,468 16128,469 36862,470 2.145,471 48.5,472 11,473 16,476 1,477 2,478 2,480 1.769,481 2.04,482 3.446,483 -0.392,487 96.938,488 1.469,489 3.295,490 4.592,491 4.991,492 4.991,493 4.991,494 2.927,495 4.116,496 5.051,497 3.647,498 2046.08,499 8.918,500 30749,505 398.93,506 1.286,507 5.033,508 0.184,509 0.004,510 0.064,511 0.036,512 0.041,513 0.02,514 0.016,515 0.012,516 0.008,517 0.007,518 0.391,519 0.33,520 0.63,521 1.067,522 179.77,523 -0.03,524 -0.126,525 0.07,526 -0.063,527 -0.04,528 0.008,529 -0.108,530 -0.075,531 -0.001,532 -0.024,533 -0.008,534 -0.003,535 0.028,536 0.067,537 0.156,538 0.149,539 0.071,540 0.173,541 -0.053,542 0.191,543 0.041,544 0.17,545 -0.057,546 0.134,547 0.071,548 -0.011,549 0.003,550 -0.024,551 0.056,552 -0.029,553 0.015,554 -0.21,555 -0.119,556 -0.218,557 0.002,558 -0.197,559 -0.007,560 0.008,561 0.015,562 -0.044,563 0.018,564 -0.013,565 -0.118,566 -0.084,567 -0.232,568 -0.088,569 -0.168,570 -0.167,571 1.576,572 3.18,573 0.647,574 39.509,575 1.001,576 1.125,577 2.813,578 7.913,579 0.647,580 3.664,581 3.989,582 4.205,583 4.489,584 4.812,585 5.004,586 5.204,587 5.375,588 5.521,589 5.568,590 6.954,591 0.614,592 464.61,593 3.664,594 5.209,595 6.071,596 6.957,597 7.84,598 8.736,599 9.628,600 10.529,601 11.426,602 12.33,603 3,610 2,612 2,613 5,614 2,617 7,618 17,627 4,629 66,630 17,631 2,632 38,633 70,634 27,635 14,636 7,637 5,639 5,640 6,642 2,645 4,646 2,647 5,649 14,650 13,651 2,663 32,664 7,665 1,666 7,668 2,669 0.8,670 5,671 1,673 1,674 2,676 3,677 1,685 1,687 4,690 2,693 34,696 1,697 9,699 4,701 2,709 7.6,710 1,714 4,716 16.667,717 12.35,718 7.611,719 4.342,720 3.51,721 1.434,722 0.954,723 7.189,724 11.598,725 3.861,726 4.454,727 5.032,728 5.681,729 6.356,730 6.805,731 7.302,732 7.762,733 8.201,734 8.45,735 0.875,736 53,737 12.636,738 5.387,739 7.593,740 24.703,741 20.795,742 2.093,743 71.167,747 364.904,748 127.5,749 33.571,751 86.683,754 127.5,755 451.587,756 33.571,757 19.708,758 26.45,759 90.065,760 33.571,761 77.961,763 364.904,765 364.904,766 161.071,767 86.683,769 343.69,770 67.542,771 42.683,773 40.176,774 84.997,775 33.571,777 364.904,778 120.254,779 127.5,781 364.904,782 60.411,783 67.089,785 120.254,786 364.904,787 120.254,788 127.5,789 0.572,790 0.31,791 0.168,792 0.103,793 26,794 11,795 0.171,796 12,797 1,798 1.091,799 4.504,800 330.162,801 0.091,802 22,803 154.974,806 23.344,807 10.47,808 6.194,809 1.623,810 120.254,811 9.817,812 9.628,815 5.191,816 42.683,817 612.658,818 46.5,825 66.094,826 74.272,827 0.243,828 0.545,829 0.76,830 0.826,831 0.826,832 0.826,833 5.113,834 2.057,835 6.047,836 6.535,837 4.673,838 5.142,839 1.934,840 6.86,841 4.575,842 6.321,843 1.773,844 7.605,845 5.973,846 4.369,847 5.075,849 7.811,850 4.275,851 7.638,852 1.455,853 9.26,854 5.028,855 6.297,856 7.367,857 1.682,858 10.844,859 6.132,860 8.987,861 1.142,862 10.969,863 3.703,864 6.735,865 8.082,867 12.555,868 6.572,869 10.365,870 0.863,871 12.712,872 2.502,873 8.172,874 9.915,875 1.444,876 15.155,877 7.955,878 11.764,879 0.79,880 14.479,881 2.017,882 8.953,883 11.019,885 17.221,886 8.73,887 13.181,888 0.695,889 16.263,890 1.872,891 10.195,892 12.662,893 1.222,894 19.675,895 9.932,896 3.22,897 0.364,898 18.063,899 1.405,900 11.149,901 13.971,903 21.916,904 10.871,905 2.866,906 11.114,907 19.874,908 0.549,909 12.314,910 15.532,911 1.019,912 24.323,913 12.003,914 2.692,915 9.154,916 21.697,917 4.588,918 13.358,919 16.945,921 26.648,922 13.026,923 2.667,924 8.216,925 23.529,926 3.885,927 14.496,928 18.474,929 0.837,930 29.044,931 14.136,932 2.587,933 7.425,934 25.37,935 3.521,936 15.586,937 19.938,939 31.409,940 15.203,941 2.266,942 7.407,943 27.219,944 3.011,945 16.72,946 21.456,947 0.677,948 33.805,949 16.31,950 2.103,951 6.94,952 29.075,953 2.841,954 17.837,955 22.947,957 36.19,958 17.402,959 15154,960 23092,961 25.948,962 42.705,963 55.695,964 57.706,965 57.766,966 55.415,967 55.615,968 68.809,969 6.88,970 160.49,971 52.616,972 5.599,973 5.323,974 6.613,975 5.292,976 5.22,977 7.588,978 1.72,979 18.386,980 5.135,981 13.823,982 1.466,983 1.519,984 1.52,985 1.458,986 1.464,987 1.811,988 0.181,989 4.223,990 1.385,991 4.114,992 4.136,993 4.087,994 4.027,995 6.457,996 4.038,997 3.936,998 3.973,999 3.857,1000 3.826,1001 5.087,1002 3.827,1003 3.89,1004 3.94,1005 3.76,1006 3.784,1007 4.876,1008 3.771,1009 3.808,1010 3.835,1011 3.716,1012 3.732,1013 4.725,1014 3.726,1015 3.61,1016 3.657,1017 3.523,1018 3.434,1019 4.55,1020 3.443,1021 3.485,1022 3.539,1023 3.323,1024 3.268,1025 4.444,1026 3.272,1027 3.302,1028 3.362,1029 3.138,1030 3.084,1031 4.307,1032 3.092,1033 3.143,1034 3.196,1035 3.022,1036 2.944,1037 4.113,1038 2.952,1039 0.122,1040 0.087,1041 0.178,1042 0.11,1043 0.085,1044 4.649,1045 0.121,1046 3.323,1047 0.023,1048 6.752,1049 0.292,1050 4.193,1051 0.082,1052 3.22,1053 4.588,1054 0.86,1055 11.114,1056 3.135,1057 2.042,1058 2.025,1059 2.092,1060 2.143,1061 1.246,1062 2.128,1063 1.828,1064 1.815,1065 1.918,1066 1.946,1067 1.076,1068 1.936,1069 1.573,1070 1.519,1071 1.827,1072 1.786,1073 1.03,1074 1.792,1075 1.441,1076 1.386,1077 1.72,1078 1.694,1079 1.007,1080 1.707,1081 1.42,1082 1.372,1083 1.673,1084 1.643,1085 0.977,1086 1.651,1087 1.381,1088 1.326,1089 1.639,1090 1.576,1091 0.927,1092 1.597,1093 1.237,1094 1.177,1095 1.575,1096 1.524,1097 0.825,1098 1.543,1099 1.153,1100 1.064,1101 1.513,1102 1.376,1103 0.825,1104 1.429,1105 4.344,1106 2.565,1107 5.666,1108 4.394,1109 7.189,1110 6.107,1111 8.808,1112 7.779,1113 10.482,1114 3.64,1118 9.18,1119 7.221,1121 23.546,1123 1.32,1128 40.519,1129 96.938,1130 217.499,1131 303.056,1132 329.42,1133 329.42,1134 329.42,1135 56.849,1136 8.088,1137 82.93,1138 82.93,1139 24,1140 12.851,1141 4.17,1142 3.248,1143 49.517,1144 136,1145 168,1146 0.171,1147 242.947,1148 425.99,1149 584.551,1150 35461,1152 23.493,1153 0.691,1154 0.585,1155 23.493,1156 19.88,1157 16.661,1158 0.438,1159 0.321,1160 12.004,1161 15.907,1162 11.73,1163 9.671,1164 16.661,1165 12.198,1166 14.616,1167 0.276,1168 0.172,1169 14.616,1170 9.136,1171 11.601,1172 0.176,1173 0.085,1174 11.601,1175 5.634,1176 9.523,1177 0.108,1178 0.041,1179 9.523,1180 3.627,1181 8.347,1182 0.068,1183 0.022,1184 8.347,1185 2.626,1186 0.264,1187 105.329,1188 0.196,1189 31.083,1190 0.488,1191 182,1192 526.382,1193 201.11,1194 487.482,1195 676.01,1196 464,1197 216,1198 498.058,1199 235.667,1200 498.085,1201 738.03,1202 470,1203 7.602}
{0 CHEMBL97866,1 1.415,2 11.629,3 6.353,4 40.357,5 131.993,6 6.879,7 0.425,8 4.334,9 4.441,10 3.854,11 3.873,12 5.287,13 3.844,14 4.883,15 5.061,16 4.092,17 4.18,18 5.79,19 4.12,20 5.054,21 5.266,22 4.217,23 4.246,24 5.982,25 4.196,26 5.032,27 5.229,28 4.227,29 4.286,30 5.997,31 4.239,32 5.043,33 5.207,34 4.335,35 4.429,36 6.009,37 4.367,38 5.211,39 5.388,40 4.379,41 4.526,42 6.135,43 4.445,44 5.346,45 5.568,46 4.369,47 4.513,48 6.224,49 4.428,50 5.296,51 5.499,52 4.239,53 4.475,54 6.167,55 4.371,56 0.027,57 0.944,58 15.819,59 7.183,60 8.189,61 9.32,62 0.271,63 1.486,64 29.771,65 11.393,66 29.482,67 15.126,68 0.46,69 1.701,70 36.495,71 12.518,72 40.269,73 17.158,74 0.609,75 1.696,76 35.692,77 12.125,78 49.801,79 16.398,80 0.428,81 1.804,82 34.283,83 13.923,84 38.81,85 18.604,86 0.284,87 2.109,88 40.668,89 16.154,90 40.323,91 21.834,92 0.591,93 2.271,94 48.954,95 17.116,96 55.516,97 23.608,98 0.78,99 2.157,100 46.6,101 16.317,102 58.421,103 22.151,104 9,105 57,106 0.222,107 0.488,108 0.681,109 0.714,110 0.72,111 0.739,112 3.589,113 0.983,114 -5.2,115 -5.09,116 -4.76,117 42,118 1,119 7,120 3,122 1,123 3,128 5,129 2,130 4,132 2,134 1,145 13,147 1,148 15,152 5,155 1,156 17,159 5,162 2,163 5,167 11,170 4,171 7,175 22,178 1,179 11,183 13,186 2,187 17,191 10,194 2,195 9,200 10,202 2,203 5,208 19,210 2466,211 24.408,212 24.408,213 24.408,214 24.408,215 24.408,216 22.543,217 22.732,218 14.169,219 25.041,220 19.684,221 19.684,222 19.684,223 19.684,224 19.684,225 16.511,226 23.364,227 6.677,228 20.641,229 4.694,230 3.002,231 1.771,232 1.563,233 1.523,234 1.403,235 4.288,239 1,240 919,241 3.742,242 191.962,244 294.41,245 157.116,246 1.904,247 28.487,250 1,251 0.5,252 0.83,253 1,254 1,255 0.83,256 0.5,257 0.81,258 75,259 407,260 4.649,261 3.326,262 6.752,263 4.194,264 3.221,265 4.588,266 0.86,267 11.115,268 3.135,269 4.234,270 3.134,271 6.162,272 3.827,273 2.871,274 3.885,275 0.86,276 9.16,277 2.743,278 4.004,279 2.961,280 5.828,281 3.679,282 2.713,283 3.522,284 0.86,285 8.222,286 2.642,287 3.679,288 2.823,289 5.522,290 3.654,291 2.667,292 3.012,293 0.86,294 7.425,295 2.635,296 3.671,297 2.698,298 5.504,299 3.629,300 2.636,301 2.844,303 7.416,304 2.616,305 3.651,306 2.651,307 5.487,308 3.533,309 2.572,310 2.733,312 7.37,313 2.44,314 3.587,315 2.467,316 5.394,317 3.218,318 2.265,319 2.648,320 6.94,321 2.15,322 3.474,323 2.428,324 5.259,325 3.054,326 2.099,327 2.642,328 6.531,329 1.997,330 3.331,331 2.253,332 4.991,333 2.973,334 2.057,335 2.523,336 5.973,337 1.871,338 3.076,339 2.153,340 4.723,341 2.654,342 1.715,343 2.294,344 5.013,345 1.607,346 2.609,347 1.531,348 4.265,349 2.198,350 1.288,351 1.643,352 3.638,353 1.162,354 2.02,355 1.269,356 3.54,357 1.787,358 0.879,359 0.956,360 2.084,361 0.789,362 1.936,363 1.164,364 3.347,365 1.718,366 0.79,367 0.897,368 1.945,369 0.725,370 1.898,371 1.161,372 3.307,373 1.711,374 0.782,375 0.853,376 1.872,377 0.718,378 1.783,379 0.927,380 3.193,381 1.57,382 0.652,383 0.716,384 1.257,385 0.592,386 16.633,387 0.475,388 0.752,389 0.021,390 41,391 1.171,392 18,393 0.514,394 23,395 0.657,396 36.168,397 1.033,398 38.567,399 0.559,400 30.693,401 0.877,402 6.933,403 0.198,404 10.246,405 0.293,406 0.06,408 0.361,410 0.832,411 1.288,412 0.826,413 1.19,414 0.781,415 1.035,416 1.271,417 1.168,418 1.001,419 1.095,420 1,421 1.028,422 1.301,423 1.018,424 0.849,425 0.885,426 1.141,427 0.811,428 1.488,429 0.821,430 0.967,431 0.743,432 1.447,433 0.766,434 0.91,435 1.076,436 0.945,437 1.051,438 0.926,439 1.016,440 0.986,441 1.306,442 1.079,443 1.274,444 1.084,445 1.201,446 1.248,447 1.024,448 1.015,449 0.997,450 1.238,451 0.971,452 1.438,453 1.108,454 1.272,455 1.089,456 1.46,457 1.145,458 7.5,459 0.155,460 3.278,461 1.854,462 2.207,463 1.195,464 0.935,465 0.676,466 0.398,467 0.329,468 18813,469 36759,470 2.209,471 49.3,472 15,473 14,477 2,478 3,480 1.776,481 2.121,482 3.472,483 -0.822,487 97.633,488 1.415,489 3.107,490 4.338,491 4.546,492 4.586,493 4.706,494 2.919,495 4.422,496 5.093,497 3.69,498 2195.58,499 8.999,500 33773.1,505 421.488,506 1.208,507 5.084,508 0.188,509 0.004,510 0.068,511 0.034,512 0.039,513 0.019,514 0.015,515 0.011,516 0.008,517 0.007,518 0.393,519 0.17,520 0.63,521 0.618,522 187.007,523 0.013,524 -0.12,525 0.092,526 -0.063,527 0.067,528 0.013,529 -0.07,530 -0.113,531 -0.009,532 -0.07,533 0.115,534 -0.042,535 0.021,536 0.007,537 0.177,538 0.085,539 0.124,540 0.145,541 -0.065,542 0.245,543 0.068,544 0.229,545 -0.065,546 0.179,547 0.097,548 0.019,549 0.015,550 0.005,551 0.095,552 -0.007,553 -0.02,554 -0.226,555 -0.121,556 -0.234,557 -0.071,558 -0.198,559 -0.039,560 -0.002,561 -0.003,562 -0.027,563 -0.046,564 -0.011,565 -0.1,566 -0.081,567 -0.254,568 -0.11,569 -0.202,570 -0.19,571 0.96,572 2.68,573 0.714,574 41.951,575 0.995,576 1.123,577 3.966,578 15.728,579 0.652,580 3.714,581 4.06,582 4.248,583 4.522,584 4.844,585 5.05,586 5.257,587 5.434,588 5.595,589 5.67,590 7.152,591 0.613,592 474.65,593 3.714,594 5.273,595 6.142,596 7.033,597 7.918,598 8.814,599 9.706,600 10.605,601 11.502,602 12.404,603 2.9,610 2,612 2,613 5,614 2,617 7,618 17,627 4,629 69,630 17,631 2,632 40,633 74,634 29,635 14,636 7,637 5,639 6,640 7,642 1,645 6,646 3,647 7,649 14,650 15,651 3,663 34,664 6,666 6,668 2,669 0.833,670 4,673 1,674 3,676 3,677 1,687 5,690 2,693 35,697 10,699 4,701 3,709 5.8,714 4,716 16.5,717 12.983,718 7.611,719 4.742,720 3.519,721 1.426,722 0.989,723 6.554,724 11.781,725 3.902,726 4.5,727 5.051,728 5.691,729 6.365,730 6.818,731 7.318,732 7.783,733 8.231,734 8.494,735 0.875,736 54,737 13.047,738 5.661,739 7.443,740 25.977,741 22.583,742 1.943,743 68,747 400.217,748 132.569,749 33.571,751 44,754 132.569,755 444.217,756 33.571,757 19.708,758 31.519,759 47.381,760 33.571,761 77.961,763 400.217,765 400.217,766 166.14,767 44,769 367.232,770 79.313,773 45.245,774 84.997,775 33.571,777 400.217,778 77.571,779 132.569,781 400.217,782 65.48,783 67.089,785 77.571,786 400.217,787 77.571,788 132.569,789 0.583,790 0.304,791 0.16,792 0.094,793 30,794 12,795 0.162,796 12,797 1,798 1.08,799 4.709,800 349.74,801 0.08,802 25,803 159.525,806 23.06,807 9.947,808 6.258,809 1.8,810 77.571,811 10.186,812 9.788,815 5.761,817 610.358,818 48.5,825 68.65,826 77.477,827 0.232,828 0.509,829 0.71,830 0.744,831 0.751,832 0.77,833 5.172,834 2.099,835 6.125,836 6.94,837 4.745,838 5.187,839 1.934,840 6.938,841 4.658,842 6.388,843 2.057,844 7.687,845 6.531,846 4.511,847 5.147,849 7.915,850 4.429,851 7.708,852 1.715,853 9.343,854 5.973,855 6.389,856 7.4,857 1.682,858 10.91,859 6.24,860 9.056,861 1.288,862 11.05,863 5.013,864 6.858,865 8.116,867 12.62,868 6.713,869 10.431,870 0.879,871 12.791,872 3.638,873 8.269,874 9.933,875 1.444,876 15.201,877 8.071,878 11.826,879 0.79,880 14.553,881 2.084,882 9.058,883 11.033,885 17.258,886 8.854,887 13.236,888 0.782,889 16.332,890 1.945,891 10.286,892 12.67,893 1.222,894 19.702,895 10.041,896 3.221,897 0.652,898 18.125,899 1.872,900 11.237,901 13.976,903 21.936,904 10.977,905 2.871,906 11.115,907 19.931,908 1.257,909 12.392,910 15.536,911 1.019,912 24.337,913 12.098,914 2.713,915 9.16,916 21.747,917 4.588,918 13.429,919 16.947,921 26.658,922 13.114,923 2.667,924 8.222,925 23.574,926 3.885,927 14.56,928 18.475,929 0.837,930 29.051,931 14.215,932 2.636,933 7.425,934 25.409,935 3.522,936 15.643,937 19.939,939 31.414,940 15.274,941 2.572,942 7.416,943 27.253,944 3.012,945 16.77,946 21.456,947 0.677,948 33.809,949 16.373,950 2.265,951 7.37,952 29.104,953 2.844,954 17.881,955 22.947,957 36.193,958 17.458,959 17047,960 24053,961 27.739,962 45.012,963 59.432,964 60.971,965 61.051,966 58.981,967 59.136,968 72.323,969 6.88,970 172.97,971 56.314,972 5.599,973 5.326,974 6.286,975 5.293,976 5.221,977 7.588,978 1.72,979 18.386,980 5.135,981 11.25,982 1.486,983 1.524,984 1.526,985 1.475,986 1.478,987 1.808,988 0.172,989 4.324,990 1.408,991 4.118,992 4.141,993 4.09,994 4.03,995 5.089,996 4.041,997 3.937,998 3.974,999 3.858,1000 3.827,1001 4.876,1002 3.827,1003 3.896,1004 3.945,1005 3.771,1006 3.793,1007 4.732,1008 3.78,1009 3.89,1010 3.94,1011 3.76,1012 3.784,1013 4.55,1014 3.771,1015 3.801,1016 3.829,1017 3.706,1018 3.726,1019 4.491,1020 3.718,1021 3.584,1022 3.636,1023 3.493,1024 3.425,1025 4.308,1026 3.43,1027 3.314,1028 3.372,1029 3.16,1030 3.12,1031 4.205,1032 3.128,1033 3.186,1034 3.238,1035 3.044,1036 2.952,1037 4.113,1038 2.963,1039 0.116,1040 0.083,1041 0.169,1042 0.105,1043 0.081,1044 4.649,1045 0.115,1046 3.326,1047 0.022,1048 6.752,1049 0.278,1050 4.194,1051 0.078,1052 3.221,1053 4.588,1054 0.86,1055 11.115,1056 3.135,1057 2.042,1058 2.025,1059 2.092,1060 2.143,1061 1.246,1062 2.127,1063 1.828,1064 1.815,1065 1.918,1066 1.945,1067 1.078,1068 1.935,1069 1.571,1070 1.516,1071 1.825,1072 1.77,1073 1.034,1074 1.784,1075 1.42,1076 1.372,1077 1.673,1078 1.643,1079 1.03,1080 1.651,1081 1.413,1082 1.361,1083 1.666,1084 1.619,1085 1,1086 1.637,1087 1.377,1088 1.321,1089 1.635,1090 1.569,1091 0.958,1092 1.591,1093 1.236,1094 1.175,1095 1.575,1096 1.524,1097 0.825,1098 1.543,1099 1.153,1100 1.064,1101 1.513,1102 1.376,1103 0.825,1104 1.429,1105 4.394,1106 2.944,1107 5.733,1108 4.796,1109 7.266,1110 6.512,1111 8.888,1112 8.184,1113 10.56,1114 3.764,1119 10.492,1121 24.187,1123 2.022,1128 42.331,1129 97.633,1130 214.368,1131 299.31,1132 313.675,1133 316.43,1134 324.694,1135 53.028,1136 8.262,1137 62.7,1138 62.7,1139 27,1140 12.926,1141 4.17,1142 3.248,1143 46.643,1144 144,1145 161,1146 0.151,1147 250.742,1148 439.44,1149 603.571,1150 44640,1152 23.777,1153 0.679,1154 0.592,1155 23.777,1156 20.717,1157 17.178,1158 0.429,1159 0.328,1160 12.935,1161 16.518,1162 12.629,1163 10.412,1164 17.178,1165 13.107,1166 15.495,1167 0.272,1168 0.181,1169 15.495,1170 10.318,1171 12.027,1172 0.174,1173 0.089,1174 12.027,1175 6.168,1176 9.795,1177 0.108,1178 0.042,1179 9.795,1180 3.846,1181 8.508,1182 0.068,1183 0.022,1184 8.508,1185 2.773,1186 0.233,1187 107.728,1188 0.19,1189 31.95,1190 0.427,1191 194,1192 506.232,1193 211.671,1194 473.825,1195 667.71,1196 452,1197 232,1198 504.543,1199 250.892,1200 506.272,1201 751.78,1202 478,1203 6.222}
{0 CHEMBL98662,1 1.528,2 11.583,3 4.336,4 18.798,5 132.295,6 7.303,7 0.425,8 4.335,9 4.429,10 3.879,11 3.8,12 5.404,13 3.804,14 4.869,15 5.026,16 4.134,17 4.108,18 5.914,19 4.087,20 5.033,21 5.222,22 4.25,23 4.193,24 6.092,25 4.172,26 4.997,27 5.177,28 4.276,29 4.24,30 6.034,31 4.221,32 5.057,33 5.213,34 4.397,35 4.368,36 6.16,37 4.341,38 5.196,39 5.357,40 4.431,41 4.451,42 6.256,43 4.409,44 5.294,45 5.49,46 4.452,47 4.457,48 6.331,49 4.409,50 5.295,51 5.478,52 4.359,53 4.439,54 6.3,55 4.378,56 0.118,57 0.919,58 14.887,59 6.816,60 13.568,61 8.321,62 0.601,63 1.389,64 28.977,65 10.484,66 49.779,67 13.272,68 0.913,69 1.576,70 35.745,71 11.71,72 68.551,73 15.587,74 0.699,75 1.624,76 33.298,77 11.317,78 46.64,79 15.077,80 0.682,81 1.781,82 33.89,83 12.915,84 53.938,85 16.88,86 0.742,87 1.993,88 39.336,89 14.71,90 56.234,91 19.291,92 1.035,93 2.096,94 45.517,95 15.58,96 73.07,97 21.194,98 0.972,99 2.059,100 45.595,101 15.639,102 72.617,103 20.664,104 27,105 55,106 0.241,107 0.519,108 0.692,109 0.774,110 0.788,111 0.802,112 3.616,113 0.934,114 -2.96,115 -2.97,116 -2.86,117 39.7,119 4,120 2,122 1,123 6,128 5,129 2,130 4,132 2,135 1,145 9,147 3,148 12,152 5,155 1,156 13,157 2,159 5,162 2,163 8,167 7,170 4,171 9,173 2,174 1,175 13,178 2,179 7,181 1,182 1,183 7,186 5,187 12,189 1,190 4,191 7,194 2,195 5,199 3,200 7,202 2,203 5,205 3,207 1,208 10,210 2746,211 25.091,212 25.091,213 25.091,214 25.091,215 25.091,216 23.225,217 23.854,218 15.154,219 25.976,220 19.705,221 19.705,222 19.705,223 19.705,224 19.705,225 16.554,226 27.026,227 7.138,228 21.089,229 4.559,230 2.801,231 1.708,232 1.188,233 1.099,234 1.011,235 4.311,239 1,240 908,241 4.062,242 132.222,244 305.533,245 164.366,246 1.806,247 42.35,250 1,251 0.5,252 0.83,253 1,254 1,255 0.83,256 0.5,257 0.81,258 80,259 417,260 4.649,261 3.329,262 6.752,263 4.191,264 3.221,265 4.588,266 0.86,267 11.116,268 3.13,269 4.233,270 3.133,271 6.161,272 3.822,273 2.866,274 3.885,275 0.86,276 9.154,277 2.739,278 4.002,279 2.988,280 5.827,281 3.657,282 2.693,283 3.522,284 0.86,285 8.22,286 2.635,287 3.679,288 2.823,289 5.521,290 3.654,291 2.667,292 3.015,293 0.86,294 7.425,295 2.627,296 3.673,297 2.702,298 5.504,299 3.543,300 2.59,301 2.848,302 0.86,303 7.409,304 2.433,305 3.596,306 2.598,307 5.395,308 3.2,309 2.29,310 2.733,312 6.968,313 2.09,314 3.486,315 2.428,316 5.287,317 3.051,318 2.116,319 2.643,320 6.648,321 1.946,322 3.331,323 2.319,324 4.991,325 2.973,326 2.057,327 2.523,328 5.973,329 1.871,330 3.09,331 2.254,332 4.729,333 2.693,334 1.776,335 2.305,336 5.037,337 1.628,338 2.679,339 1.812,340 4.276,341 2.387,342 1.456,343 1.718,344 3.707,345 1.338,346 2.482,347 1.735,348 3.638,349 2.318,350 1.412,351 1.481,352 2.722,353 1.268,354 2.369,355 1.483,356 3.417,357 2.056,358 1.14,359 1.351,360 2.448,361 1.036,362 1.941,363 1.256,364 3.348,365 1.769,366 0.862,367 0.913,368 2.017,369 0.772,370 1.898,371 1.161,372 3.307,373 1.711,374 0.79,375 0.853,376 1.872,377 0.718,378 1.842,379 1.056,380 3.165,381 1.514,382 0.625,383 0.737,384 1.287,385 0.55,386 16.633,387 0.462,388 0.683,389 0.019,390 42.5,391 1.181,392 18.5,393 0.514,394 24,395 0.667,396 35.28,397 0.98,398 40.967,399 0.602,400 35.659,401 0.991,402 8.019,403 0.223,404 9.642,405 0.268,406 0.07,408 0.331,410 0.922,411 1.348,412 0.803,413 1.236,414 0.934,415 1.032,416 1.222,417 1.078,418 1.007,419 1.041,420 0.99,421 0.992,422 1.094,423 0.984,424 0.841,425 0.845,426 0.857,427 0.795,428 1.063,429 0.982,430 0.875,431 0.855,432 0.729,433 0.816,434 0.847,435 1.083,436 0.892,437 1.047,438 0.632,439 0.99,440 0.93,441 1.259,442 1.029,443 1.218,444 0.797,445 1.153,446 0.84,447 1.056,448 0.922,449 1.058,450 0.747,451 1.007,452 1.149,453 1.198,454 1.145,455 1.171,456 1.077,457 1.158,458 7,459 0.206,460 3,461 1.882,462 2.252,463 1.223,464 1.001,465 0.714,466 0.46,467 0.379,468 18502,469 47212,470 2.137,471 47.1,472 8,473 20,476 2,478 2,480 1.785,481 2.038,482 3.471,483 0.176,487 103.914,488 1.528,489 3.287,490 4.38,491 4.9,492 4.988,493 5.076,494 2.931,495 4.593,496 5.133,497 3.675,498 2314.97,499 9.092,500 36540.9,505 413.947,506 1.256,507 5.118,508 0.175,509 0.004,510 0.061,511 0.034,512 0.039,513 0.019,514 0.015,515 0.011,516 0.008,517 0.007,518 0.374,519 0.33,520 0.63,521 1.204,522 193.777,523 -0.07,524 -0.139,525 0.057,526 -0.072,527 -0.08,528 0.007,529 -0.102,530 -0.006,531 -0.042,532 -0.004,533 -0.042,534 -0.015,535 0.034,536 0.033,537 0.156,538 0.148,539 0.055,540 0.173,541 -0.062,542 0.119,543 0.086,544 0.153,545 -0.043,546 0.156,547 0.058,548 0.06,549 0.028,550 0.01,551 0.089,552 0.007,553 0.002,554 -0.151,555 -0.1,556 -0.167,557 -0.015,558 -0.157,559 0.112,560 0.002,561 0.042,562 -0.059,563 0.074,564 -0.026,565 -0.089,566 -0.164,567 -0.173,568 -0.163,569 -0.115,570 -0.183,571 1.659,572 3.254,573 0.611,574 44.515,575 1.011,576 1.128,577 1.732,578 2.999,579 0.641,580 3.714,581 4.025,582 4.234,583 4.522,584 4.844,585 5.043,586 5.263,587 5.451,588 5.613,589 5.68,590 7.182,591 0.617,592 496.61,593 3.714,594 5.252,595 6.107,596 6.989,597 7.868,598 8.762,599 9.652,600 10.552,601 11.449,602 12.352,603 2.9,610 2,612 2,613 5,614 2,617 7,618 17,627 5,629 68,630 17,631 2,632 40,633 72,634 27,635 14,636 7,637 5,639 5,640 6,642 2,645 4,646 2,647 4,649 14,650 13,651 2,663 32,664 9,665 2,666 9,668 2,669 0.8,670 7,671 2,673 1,674 2,676 3,677 1,685 2,687 4,690 1,693 36,696 2,697 10,699 5,701 2,709 10.3,710 2,714 5,716 17.667,717 12.217,718 8.111,719 4.192,720 3.5,721 1.427,722 0.93,723 8.193,724 11.691,725 3.902,726 4.477,727 5.045,728 5.694,729 6.369,730 6.823,731 7.332,732 7.803,733 8.249,734 8.512,735 0.875,736 55,737 13.374,738 5.704,739 7.727,740 25.755,741 21.436,742 2.227,743 80.167,747 353.133,748 122.791,749 33.571,751 140.366,754 122.791,755 493.499,756 33.571,757 10.883,758 28.508,759 132.748,760 33.571,761 86.633,762 4.386,763 353.133,765 353.133,766 156.362,767 140.366,769 329.591,770 78.542,771 85.367,773 37.794,774 84.997,775 33.571,777 353.133,778 173.937,779 122.791,781 353.133,782 64.527,783 58.264,785 173.937,786 353.133,787 173.937,788 122.791,789 0.566,790 0.302,791 0.166,792 0.102,793 26,794 11,795 0.194,796 14,797 1,798 1.091,799 4.654,800 354.88,801 0.091,802 22,803 168.117,806 25.181,807 11.713,808 7.063,809 1.304,810 173.937,811 9.385,812 9.2,815 3.946,816 85.367,817 649.861,818 48.5,825 68.749,826 76.69,827 0.251,828 0.54,829 0.719,830 0.805,831 0.819,832 0.834,833 5.149,834 2.057,835 6.075,836 6.648,837 4.71,838 5.165,839 2.128,840 6.878,841 4.592,842 6.346,843 1.776,844 7.625,845 5.973,846 4.369,847 5.075,849 7.811,850 4.261,851 7.656,852 1.456,853 9.273,854 5.037,855 6.319,856 7.375,857 1.867,858 10.852,859 6.127,860 9,861 1.412,862 10.978,863 3.707,864 6.735,865 8.082,867 12.558,868 6.553,869 10.375,870 1.14,871 12.719,872 2.722,873 8.185,874 9.918,875 1.619,876 15.16,877 7.941,878 11.771,879 0.862,880 14.484,881 2.448,882 8.955,883 11.019,885 17.224,886 8.712,887 13.186,888 0.79,889 16.267,890 2.017,891 10.203,892 12.663,893 1.384,894 19.678,895 9.915,896 3.221,897 0.625,898 18.066,899 1.872,900 11.152,901 13.971,903 21.918,904 10.853,905 2.866,906 11.116,907 19.877,908 1.287,909 12.32,910 15.533,911 1.167,912 24.325,913 11.986,914 2.693,915 9.154,916 21.699,917 4.588,918 13.361,919 16.945,921 26.65,922 13.008,923 2.667,924 8.22,925 23.531,926 3.885,927 14.5,928 18.474,929 0.97,930 29.046,931 14.117,932 2.59,933 7.425,934 25.372,935 3.522,936 15.59,937 19.939,939 31.411,940 15.183,941 2.29,942 7.409,943 27.221,944 3.015,945 16.724,946 21.456,947 0.793,948 33.807,949 16.289,950 2.116,951 6.968,952 29.076,953 2.848,954 17.84,955 22.947,957 36.192,958 17.38,959 17500,960 28150,961 27.334,962 43.614,963 58.2,964 60.851,965 60.296,966 57.875,967 58.172,968 71.365,969 8.6,970 165.654,971 54.435,972 5.6,973 5.329,974 6.614,975 5.29,976 5.221,977 7.588,978 1.72,979 18.387,980 5.13,981 14.536,982 1.455,983 1.521,984 1.507,985 1.447,986 1.454,987 1.784,988 0.215,989 4.141,990 1.361,991 4.109,992 4.129,993 4.085,994 4.02,995 6.459,996 4.032,997 3.935,998 3.972,999 3.856,1000 3.826,1001 6.454,1002 3.826,1003 3.89,1004 3.94,1005 3.76,1006 3.784,1007 5.126,1008 3.771,1009 3.808,1010 3.834,1011 3.716,1012 3.732,1013 4.878,1014 3.726,1015 3.592,1016 3.622,1017 3.514,1018 3.342,1019 4.787,1020 3.377,1021 3.508,1022 3.554,1023 3.356,1024 3.27,1025 4.55,1026 3.28,1027 3.371,1028 3.416,1029 3.241,1030 3.139,1031 4.446,1032 3.156,1033 3.157,1034 3.219,1035 3.023,1036 2.946,1037 4.353,1038 2.955,1039 0.116,1040 0.083,1041 0.169,1042 0.105,1043 0.081,1044 4.649,1045 0.115,1046 3.329,1047 0.022,1048 6.752,1049 0.278,1050 4.191,1051 0.078,1052 3.221,1053 4.588,1054 0.86,1055 11.116,1056 3.13,1057 2.034,1058 2.019,1059 2.079,1060 2.137,1061 1.231,1062 2.118,1063 1.826,1064 1.814,1065 1.913,1066 1.946,1067 1.071,1068 1.934,1069 1.494,1070 1.456,1071 1.741,1072 1.776,1073 1.03,1074 1.759,1075 1.441,1076 1.389,1077 1.719,1078 1.714,1079 0.977,1080 1.714,1081 1.42,1082 1.372,1083 1.673,1084 1.643,1085 0.949,1086 1.651,1087 1.382,1088 1.327,1089 1.639,1090 1.594,1091 0.93,1092 1.602,1093 1.276,1094 1.226,1095 1.579,1096 1.542,1097 0.825,1098 1.557,1099 1.153,1100 1.064,1101 1.513,1102 1.376,1103 0.825,1104 1.429,1105 4.394,1106 2.565,1107 5.707,1108 4.394,1109 7.219,1110 6.107,1111 8.83,1112 7.779,1113 10.499,1114 1.558,1118 18.449,1119 6.068,1121 29.027,1123 1.23,1128 41.948,1129 103.914,1130 223.512,1131 297.809,1132 333.193,1133 339.193,1134 345.193,1135 65.34,1136 8.191,1137 112.39,1138 112.39,1139 24,1140 12.873,1141 4.17,1142 3.248,1143 53.844,1144 147,1145 180,1146 0.17,1147 250.94,1148 443.57,1149 604.053,1150 39953,1152 24.907,1153 0.692,1154 0.568,1155 24.907,1156 20.443,1157 17.661,1158 0.442,1159 0.311,1160 12.198,1161 16.693,1162 11.992,1163 9.831,1164 17.661,1165 12.447,1166 15.35,1167 0.279,1168 0.168,1169 15.35,1170 9.221,1171 11.99,1172 0.176,1173 0.082,1174 11.99,1175 5.573,1176 9.918,1177 0.109,1178 0.04,1179 9.918,1180 3.601,1181 8.683,1182 0.069,1183 0.02,1184 8.683,1185 2.551,1186 0.262,1187 112.944,1188 0.191,1189 32.553,1190 0.485,1191 190,1192 610.267,1193 214.313,1194 555.611,1195 758.37,1196 528,1197 224,1198 545.028,1199 248.096,1200 541.901,1201 803.71,1202 510,1203 7.097}
{0 CHEMBL98730,1 1.523,2 11.579,3 4.741,4 22.481,5 143.043,6 7.146,7 0.395,8 4.407,9 4.509,10 3.947,11 3.881,12 5.413,13 3.878,14 4.971,15 5.141,16 4.22,17 4.215,18 5.94,19 4.187,20 5.152,21 5.352,22 4.332,23 4.325,24 6.127,25 4.288,26 5.134,27 5.335,28 4.343,29 4.365,30 6.107,31 4.323,32 5.168,33 5.35,34 4.457,35 4.476,36 6.181,37 4.432,38 5.271,39 5.438,40 4.511,41 4.577,42 6.269,43 4.52,44 5.409,45 5.61,46 4.549,47 4.612,48 6.367,49 4.548,50 5.443,51 5.64,52 4.492,53 4.597,54 6.366,55 4.526,56 0.059,57 1.026,58 16.416,59 7.206,60 9.427,61 9.194,62 0.528,63 1.6,64 32.504,65 11.313,66 40.597,67 14.781,68 0.824,69 1.847,70 40.262,71 12.971,72 57.483,73 17.901,74 0.665,75 1.913,76 38.724,77 12.727,78 50.949,79 17.878,80 0.678,81 2.044,82 38.897,83 14.106,84 53.454,85 19.411,86 0.548,87 2.251,88 42.311,89 16.276,90 52.56,91 21.939,92 0.795,93 2.433,94 50.753,95 17.977,96 66.176,97 24.801,98 0.907,99 2.444,100 53.315,101 18.15,102 68.891,103 24.711,104 11,105 60,106 0.237,107 0.516,108 0.706,109 0.786,110 0.786,111 0.786,112 3.669,113 0.947,114 -3.36,115 -3.34,116 -3.2,117 39.7,119 4,120 2,122 1,123 8,128 5,129 2,130 4,132 2,135 1,145 9,147 3,148 12,152 5,155 2,156 13,157 1,159 5,162 2,163 8,167 7,170 6,171 9,174 1,175 13,178 2,179 7,181 1,182 1,183 7,186 5,187 15,189 1,190 1,191 7,194 2,195 8,200 7,202 3,203 5,205 2,207 1,208 10,210 3140,211 26.582,212 26.582,213 26.582,214 26.582,215 26.582,216 24.741,217 29.233,218 15.884,219 27.544,220 21.227,221 21.227,222 21.227,223 21.227,224 21.227,225 18.107,226 36.415,227 7.538,228 22.694,229 4.667,230 2.871,231 1.646,232 1.134,233 1.134,234 1.134,235 4.375,239 1,240 977,241 3.742,242 137.222,244 427.989,245 169.438,246 1.737,247 38.744,250 0.75,251 0.33,252 0.67,253 0.9,254 1,255 0.67,256 0.5,257 0.69,258 83.5,259 440,260 4.657,261 3.341,262 6.765,263 4.204,264 3.236,265 4.592,266 0.86,267 11.164,268 3.138,269 4.233,270 3.146,271 6.167,272 3.822,273 2.866,274 3.885,275 0.86,276 9.172,277 2.739,278 4.056,279 3.09,280 6.105,281 3.715,282 2.797,283 3.549,284 0.86,285 8.961,286 2.635,287 3.809,288 2.841,289 5.802,290 3.654,291 2.667,292 3.129,293 0.86,294 8.087,295 2.627,296 3.679,297 2.823,298 5.518,299 3.638,300 2.657,301 2.914,302 0.86,303 7.425,304 2.547,305 3.649,306 2.629,307 5.504,308 3.459,309 2.511,310 2.733,311 0.8,312 7.394,313 2.359,314 3.523,315 2.428,316 5.392,317 3.108,318 2.156,319 2.643,320 6.872,321 2.044,322 3.331,323 2.341,324 4.991,325 2.973,326 2.057,327 2.523,328 5.973,329 1.871,330 3.113,331 2.285,332 4.764,333 2.742,334 1.828,335 2.325,336 5.133,337 1.671,338 2.951,339 2.236,340 4.484,341 2.647,342 1.745,343 2.018,344 4.513,345 1.568,346 2.674,347 1.735,348 4.27,349 2.387,350 1.455,351 1.711,352 3.695,353 1.338,354 2.39,355 1.523,356 3.619,357 2.08,358 1.177,359 1.375,360 2.763,361 1.056,362 2.244,363 1.481,364 3.454,365 1.989,366 1.113,367 1.225,368 2.439,369 0.967,370 2,371 1.256,372 3.349,373 1.952,374 1,375 1,376 2.136,377 0.946,378 1.94,379 1.242,380 3.307,381 1.768,382 0.861,383 0.912,384 2.016,385 0.771,386 17.7,387 0.466,388 0.735,389 0.019,390 44.5,391 1.171,392 18.5,393 0.487,394 26,395 0.684,396 39.206,397 1.032,398 42.9,399 0.588,400 37.078,401 0.976,402 8.264,403 0.217,404 10.431,405 0.275,406 0.047,408 0.333,410 0.895,411 1.436,412 0.801,413 1.264,414 0.87,415 1.053,416 1.333,417 1.05,418 1.027,419 1.003,420 1.044,421 0.965,422 1.151,423 1.027,424 0.9,425 0.871,426 0.93,427 0.84,428 1.028,429 1.029,430 0.905,431 0.871,432 0.866,433 0.852,434 0.809,435 1.022,436 0.879,437 0.953,438 0.737,439 0.928,440 0.854,441 1.272,442 1.019,443 1.232,444 0.849,445 1.167,446 0.874,447 1.081,448 0.951,449 1.096,450 0.853,451 1.044,452 1.163,453 1.191,454 1.12,455 1.156,456 1.113,457 1.133,458 7,459 0.229,460 3.444,461 1.819,462 2.243,463 1.438,464 0.961,465 0.783,466 0.53,467 0.334,468 21903,469 50983,470 2.192,471 47.9,472 8,473 24,476 1,478 2,480 1.799,481 2.111,482 3.467,483 -0.374,487 111.186,488 1.523,489 3.318,490 4.544,491 5.056,492 5.056,493 5.056,494 2.915,495 4.261,496 5.213,497 3.671,498 2580.48,499 9.255,500 41962.1,505 451.857,506 1.167,507 5.205,508 0.163,509 0.004,510 0.064,511 0.03,512 0.036,513 0.021,514 0.013,515 0.011,516 0.008,517 0.005,518 0.355,519 0.33,520 0.63,521 0.861,522 207.109,523 -0.037,524 -0.212,525 0.082,526 -0.108,527 -0.024,528 -0.008,529 -0.144,530 0.042,531 -0.041,532 0.015,533 -0.04,534 0.003,535 0.002,536 0.011,537 0.101,538 0.114,539 0.047,540 0.124,541 -0.045,542 0.069,543 0.067,544 0.121,545 -0.039,546 0.12,547 0.073,548 0.117,549 0.06,550 0.083,551 0.067,552 0.068,553 0.013,554 -0.145,555 -0.095,556 -0.163,557 0.003,558 -0.152,559 0.061,560 -0.016,561 0.009,562 -0.08,563 0.032,564 -0.051,565 -0.069,566 -0.16,567 -0.136,568 -0.149,569 -0.126,570 -0.154,571 1.591,572 3.294,573 0.737,574 45.895,575 1.006,576 1.129,577 2.125,578 4.517,579 0.643,580 3.784,581 4.111,582 4.344,583 4.635,584 4.963,585 5.159,586 5.403,587 5.62,588 5.82,589 5.93,590 7.238,591 0.613,592 521.67,593 3.784,594 5.333,595 6.196,596 7.083,597 7.967,598 8.862,599 9.757,600 10.658,601 11.559,602 12.465,603 4.1,607 1,610 2,612 2,613 5,614 2,617 7,618 17,625 1,627 4,629 73,630 17,631 2,632 43,633 78,634 29,635 14,636 7,637 5,639 6,640 7,642 1,645 4,646 2,647 4,649 14,650 15,651 2,663 35,664 9,665 1,666 9,668 3,669 0.833,670 6,671 1,673 1,674 2,676 4,677 1,685 1,686 1,687 5,690 1,693 38,696 1,697 12,699 5,701 2,702 1,709 8.2,710 1,713 1,714 4,716 18,717 13.217,718 8.389,719 4.633,720 3.476,721 1.41,722 0.964,723 7.953,724 11.962,725 3.961,726 4.533,727 5.101,728 5.742,729 6.416,730 6.883,731 7.41,732 7.898,733 8.361,734 8.653,735 0.875,736 60,737 14.146,738 6.087,739 7.583,740 27.687,741 23.494,742 2.083,743 79.167,747 400.217,748 129.108,749 36.695,751 97.683,754 129.108,755 497.9,756 36.695,757 10.883,758 37.311,759 90.065,760 44.571,761 78.757,762 1.899,763 400.217,765 400.217,766 165.803,767 97.683,769 376.675,770 67.542,771 53.683,773 44.111,774 88.121,775 33.571,777 400.217,778 134.378,779 129.108,781 400.217,782 70.844,783 61.389,785 131.254,786 400.217,787 134.378,788 129.108,789 0.573,790 0.311,791 0.17,792 0.102,793 30,794 12,795 0.154,796 12,797 1,798 1.071,799 4.823,800 395.059,801 0.071,802 28,803 177.421,806 25.779,807 11.723,808 6.76,809 1.567,810 134.378,811 9.835,812 9.98,815 4.972,816 42.683,817 663.704,818 51.5,825 73.407,826 82.395,827 0.246,828 0.536,829 0.734,830 0.817,831 0.817,832 0.817,833 5.222,834 2.057,835 6.168,836 6.872,837 4.796,838 5.22,839 2.236,840 6.978,841 4.678,842 6.412,843 1.828,844 7.722,845 5.973,846 4.443,847 5.112,848 0.325,849 7.915,850 4.327,851 7.721,852 1.745,853 9.375,854 5.133,855 6.412,856 7.411,857 1.936,858 10.968,859 6.213,860 9.062,861 1.455,862 11.085,863 4.513,864 6.825,865 8.113,866 0.268,867 12.683,868 6.629,869 10.435,870 1.177,871 12.832,872 3.695,873 8.287,874 9.944,875 1.671,876 15.286,877 8.025,878 11.831,879 1.113,880 14.603,881 2.763,882 9.058,883 11.045,884 0.188,885 17.351,886 8.787,887 13.245,888 1,889 16.392,890 2.439,891 10.313,892 12.684,893 1.426,894 19.801,895 9.992,896 3.236,897 0.861,898 18.195,899 2.136,900 11.262,901 13.991,902 0.125,903 22.036,904 10.924,905 2.866,906 11.164,907 20.01,908 2.016,909 12.432,910 15.55,911 1.2,912 24.437,913 12.055,914 2.797,915 9.172,916 21.835,917 4.592,918 13.473,919 16.962,920 0.082,921 26.757,922 13.072,923 2.667,924 8.961,925 23.669,926 3.885,927 14.614,928 18.49,929 0.995,930 29.148,931 14.179,932 2.657,933 8.087,934 25.51,935 3.549,936 15.703,937 19.954,938 0.054,939 31.509,940 15.242,941 2.511,942 7.425,943 27.358,944 3.129,945 16.838,946 21.471,947 0.813,948 33.902,949 16.347,950 2.156,951 7.394,952 29.212,953 2.914,954 17.954,955 22.962,956 0.035,957 36.285,958 17.436,959 20199,960 31014,961 29.819,962 46.926,963 63.491,964 65.754,965 65.021,966 63.227,967 63.454,968 76.649,969 10.2,970 182.309,971 59.407,972 5.657,973 5.341,974 6.626,975 5.307,976 5.236,977 7.592,978 1.72,979 18.438,980 5.138,981 12.196,982 1.477,983 1.529,984 1.512,985 1.47,986 1.476,987 1.783,988 0.237,989 4.24,990 1.382,991 4.118,992 4.142,993 4.092,994 4.025,995 6.457,996 4.037,997 3.936,998 3.974,999 3.857,1000 3.826,1001 5.093,1002 3.826,1003 3.89,1004 3.94,1005 3.76,1006 3.784,1007 4.876,1008 3.771,1009 3.81,1010 3.839,1011 3.717,1012 3.733,1013 4.74,1014 3.726,1015 3.761,1016 3.809,1017 3.66,1018 3.544,1019 4.592,1020 3.563,1021 3.538,1022 3.578,1023 3.43,1024 3.304,1025 4.55,1026 3.326,1027 3.383,1028 3.426,1029 3.264,1030 3.151,1031 4.443,1032 3.171,1033 3.159,1034 3.223,1035 3.023,1036 2.946,1037 4.304,1038 2.955,1039 0.108,1040 0.078,1041 0.157,1042 0.098,1043 0.075,1044 4.657,1045 0.107,1046 3.341,1047 0.02,1048 6.765,1049 0.26,1050 4.204,1051 0.073,1052 3.236,1053 4.592,1054 0.86,1055 11.164,1056 3.138,1057 2.039,1058 2.022,1059 2.085,1060 2.148,1061 1.249,1062 2.128,1063 1.828,1064 1.815,1065 1.923,1066 1.955,1067 1.176,1068 1.945,1069 1.69,1070 1.635,1071 1.894,1072 1.924,1073 1.07,1074 1.914,1075 1.46,1076 1.416,1077 1.724,1078 1.731,1079 1.03,1080 1.726,1081 1.42,1082 1.372,1083 1.673,1084 1.643,1085 0.977,1086 1.651,1087 1.382,1088 1.328,1089 1.639,1090 1.597,1091 0.931,1092 1.602,1093 1.281,1094 1.233,1095 1.579,1096 1.544,1097 0.825,1098 1.558,1099 1.153,1100 1.064,1101 1.513,1102 1.376,1103 0.825,1104 1.429,1105 4.466,1106 2.565,1107 5.79,1108 4.394,1109 7.315,1110 6.107,1111 8.935,1112 7.779,1113 10.607,1114 1.603,1118 9.294,1119 9.116,1121 29.374,1123 1.285,1124 2.142,1128 44.782,1129 111.186,1130 242.247,1131 331.718,1132 369.102,1133 369.102,1134 369.102,1135 61.851,1136 8.486,1137 95.4,1138 95.4,1139 30,1140 12.984,1141 4.17,1142 3.248,1143 52.435,1144 156,1145 192,1146 0.155,1147 265.529,1148 468.02,1149 639.651,1150 56848,1152 25.899,1153 0.682,1154 0.575,1155 25.899,1156 21.857,1157 18.695,1158 0.435,1159 0.316,1160 13.309,1161 17.703,1162 13.082,1163 10.688,1164 18.695,1165 13.571,1166 16.5,1167 0.275,1168 0.171,1169 16.5,1170 10.266,1171 13.279,1172 0.175,1173 0.086,1174 13.279,1175 6.553,1176 11.105,1177 0.109,1178 0.042,1179 11.105,1180 4.314,1181 9.711,1182 0.068,1183 0.022,1184 9.711,1185 3.073,1186 0.237,1187 119.111,1188 0.183,1189 33.878,1190 0.444,1191 206,1192 613.763,1193 230.514,1194 561.944,1195 776.39,1196 536,1197 245,1198 566.511,1199 270.6,1200 564.421,1201 839.69,1202 532,1203 5.602}
{0 CHEMBL99101,1 1.559,2 11.543,3 5.782,4 33.433,5 137.194,6 7.413,7 0.436,8 4.307,9 4.404,10 3.906,11 3.847,12 5.327,13 3.811,14 4.843,15 5.006,16 4.183,17 4.157,18 5.821,19 4.095,20 4.998,21 5.19,22 4.265,23 4.237,24 5.995,25 4.178,26 4.969,27 5.147,28 4.312,29 4.283,30 5.985,31 4.23,32 5.037,33 5.198,34 4.427,35 4.426,36 6.062,37 4.355,38 5.169,39 5.332,40 4.471,41 4.506,42 6.178,43 4.419,44 5.271,45 5.473,46 4.499,47 4.492,48 6.239,49 4.41,50 5.262,51 5.454,52 4.363,53 4.492,54 6.186,55 4.373,56 0.034,57 0.917,58 15.099,59 7.096,60 9.681,61 8.601,62 0.348,63 1.456,64 31.602,65 11.255,66 35.262,67 13.938,68 0.609,69 1.628,70 37.631,71 12.993,72 50.581,73 16.194,74 0.546,75 1.653,76 33.532,77 12.021,78 45.352,79 15.284,80 0.486,81 1.832,82 35.785,83 13.983,84 43.121,85 17.515,86 0.455,87 2.051,88 42.742,89 16.365,90 50.646,91 20.294,92 0.646,93 2.167,94 48.475,95 16.737,96 61.669,97 21.607,98 0.728,99 2.143,100 48.446,101 17.493,102 60.042,103 21.839,104 24,105 54,106 0.247,107 0.532,108 0.734,109 0.797,110 0.797,111 0.797,112 3.589,113 1.025,114 -4.04,115 -3.99,116 -3.78,117 40.3,118 1,119 4,120 2,122 1,123 5,128 5,129 2,130 4,132 2,135 1,145 9,147 1,148 14,152 6,155 1,156 13,157 1,159 5,162 2,163 7,167 10,170 4,171 6,174 1,175 16,178 1,179 8,181 1,182 1,183 10,186 2,187 14,189 1,190 1,191 11,194 2,195 6,200 7,202 2,203 6,205 1,207 2,208 13,210 2497,211 24.384,212 24.384,213 24.384,214 24.384,215 24.384,216 22.518,217 21.689,218 14.629,219 25.439,220 19.205,221 19.205,222 19.205,223 19.205,224 19.205,225 16.054,226 23.248,227 6.844,228 20.709,229 4.507,230 2.708,231 1.431,232 1.037,233 1.037,234 1.037,235 4.284,239 1,240 883,241 3.937,242 128.659,244 294.959,245 158.039,246 1.816,247 33.355,250 1,251 0.67,252 0.83,253 1,254 1,255 0.83,256 0.5,257 0.83,258 76,259 404,260 4.649,261 4.405,262 6.752,263 4.19,264 3.221,265 4.588,266 2.95,267 11.116,268 3.127,269 4.233,270 3.305,271 6.161,272 3.822,273 2.866,274 3.885,275 0.86,276 9.154,277 2.739,278 4.002,279 3.128,280 5.827,281 3.657,282 2.693,283 3.522,284 0.86,285 8.22,286 2.635,287 3.679,288 2.927,289 5.521,290 3.654,291 2.667,292 3.015,293 0.86,294 7.425,295 2.627,296 3.673,297 2.823,298 5.504,299 3.539,300 2.589,301 2.847,302 0.86,303 7.409,304 2.427,305 3.595,306 2.675,307 5.395,308 3.18,309 2.284,310 2.733,312 6.965,313 2.072,314 3.485,315 2.592,316 5.285,317 3.031,318 2.113,319 2.643,320 6.638,321 1.877,322 3.331,323 2.428,324 4.991,325 2.973,326 2.057,327 2.523,328 5.973,329 1.871,330 3.089,331 2.319,332 4.729,333 2.69,334 1.775,335 2.304,336 5.036,337 1.621,338 2.678,339 2.253,340 4.276,341 2.387,342 1.455,343 1.717,344 3.705,345 1.338,346 2.389,347 1.735,348 3.605,349 2.067,350 1.155,351 1.372,352 2.524,353 1.044,354 2.186,355 1.484,356 3.349,357 1.949,358 1.088,359 1.166,360 2.02,361 0.915,362 1.94,363 1.261,364 3.31,365 1.768,366 0.861,367 0.912,368 1.964,369 0.771,370 1.898,371 1.161,372 3.307,373 1.711,374 0.79,375 0.853,376 1.872,377 0.718,378 1.791,379 1.032,380 3.014,381 1.466,382 0.57,383 0.677,384 1.109,385 0.505,386 16.8,387 0.48,388 0.683,389 0.02,390 41.25,391 1.179,392 18.5,393 0.529,394 22.75,395 0.65,396 36.166,397 1.033,398 39,399 0.582,400 32.113,401 0.918,402 7.234,403 0.207,404 9.927,405 0.284,406 0.079,408 0.327,410 0.884,411 1.253,412 0.779,413 1.091,414 0.895,415 1.003,416 1.249,417 1.154,418 1.031,419 1.095,420 0.988,421 0.986,422 1.17,423 0.993,424 0.921,425 0.893,426 0.913,427 0.801,428 1.186,429 0.917,430 0.827,431 0.761,432 0.893,433 0.795,434 0.923,435 1.004,436 0.934,437 0.957,438 0.794,439 0.957,440 0.934,441 1.261,442 1.095,443 1.239,444 0.888,445 1.164,446 0.994,447 1.033,448 0.869,449 1.014,450 0.904,451 0.985,452 1.136,453 1.148,454 1.181,455 1.13,456 1.144,457 1.154,458 7,459 0.177,460 3,461 1.882,462 2.252,463 1.223,464 0.98,465 0.686,466 0.448,467 0.354,468 17237,469 41191,470 2.141,471 47.8,472 8,473 18,476 1,478 5,480 1.777,481 2.039,482 3.452,483 -0.373,487 104.436,488 1.559,489 3.358,490 4.635,491 5.029,492 5.029,493 5.029,494 2.919,495 4.558,496 5.093,497 3.654,498 2174.35,499 9.007,500 33470.8,505 406.428,506 1.271,507 5.076,508 0.179,509 0.004,510 0.063,511 0.035,512 0.04,513 0.019,514 0.016,515 0.011,516 0.008,517 0.007,518 0.382,519 0.33,520 0.63,521 1.137,522 186.654,523 -0.033,524 -0.105,525 0.078,526 -0.022,527 -0.041,528 0.015,529 -0.1,530 -0.093,531 0.002,532 -0.043,534 -0.005,535 0.041,536 0.026,537 0.105,538 0.112,539 0.086,540 0.166,541 -0.045,542 0.161,543 0.089,544 0.187,545 -0.031,546 0.154,547 0.029,548 0.11,549 0.02,550 0.07,551 0.02,552 0.027,553 0.015,554 -0.175,555 -0.091,556 -0.176,557 0.008,558 -0.167,559 0.036,560 0.005,561 0.082,562 -0.049,563 0.033,564 -0.018,565 -0.056,566 -0.119,567 -0.162,568 -0.107,569 -0.148,570 -0.176,571 1.579,572 3.208,573 0.629,574 41.858,575 1.003,576 1.122,577 2.813,578 7.913,579 0.662,580 3.689,581 4.007,582 4.22,583 4.511,584 4.828,585 5.03,586 5.242,587 5.421,588 5.576,589 5.631,590 7.044,591 0.622,592 496.68,593 3.689,594 5.231,595 6.089,596 6.974,597 7.855,598 8.751,599 9.642,600 10.543,601 11.44,602 12.344,603 3,610 2,612 2,613 5,614 2,617 7,618 17,627 4,629 67,630 17,631 2,632 39,633 71,634 27,635 14,636 7,637 5,639 5,640 6,642 2,645 4,646 2,647 4,649 14,650 13,651 2,663 32,664 7,665 1,666 8,667 1,668 2,669 0.8,670 5,671 1,673 1,674 2,676 3,677 1,685 1,687 4,688 1,689 1,690 2,693 35,696 1,697 9,699 4,700 1,701 2,709 7.5,710 1,714 4,716 17.167,717 12.517,718 7.861,719 4.342,720 3.505,721 1.431,722 0.953,723 7.981,724 11.646,725 3.882,726 4.466,727 5.039,728 5.691,729 6.364,730 6.818,731 7.323,732 7.79,733 8.232,734 8.489,735 0.875,736 54,737 13.007,738 5.526,739 7.586,740 25.441,741 21.338,742 2.086,743 73,747 364.904,748 156.45,749 33.571,751 86.683,753 32.22,754 124.231,755 451.587,756 33.571,757 19.708,758 24.815,759 90.065,760 33.571,761 75.633,762 0.693,763 397.124,765 364.904,766 157.802,767 86.683,768 32.22,769 306.049,770 102.855,771 42.683,773 39.234,774 84.997,775 33.571,776 32.22,777 364.904,778 120.254,779 156.45,781 364.904,782 89.361,783 67.089,785 120.254,786 364.904,787 120.254,788 156.45,789 0.568,790 0.305,791 0.17,792 0.102,793 26,794 11,795 0.183,796 13,797 1,798 1.091,799 4.574,800 342.868,801 0.091,802 22,803 161.525,804 1,806 24.634,807 11.339,808 6.793,809 1.607,810 120.254,811 9.821,812 9.697,815 5.113,816 42.683,817 641.608,818 47.5,825 67.171,826 75.192,827 0.257,828 0.554,829 0.764,830 0.829,831 0.829,832 0.829,833 5.131,834 2.057,835 6.061,836 6.638,837 4.691,838 5.153,839 3.191,840 6.87,841 4.567,842 6.334,843 1.775,844 7.615,845 5.973,846 4.369,847 5.075,849 7.811,850 4.254,851 7.647,852 1.455,853 9.267,854 5.036,855 6.308,856 7.371,857 5.055,858 10.85,859 6.108,860 8.994,861 1.155,862 10.974,863 3.705,864 6.735,865 8.082,867 12.558,868 6.546,869 10.37,870 1.088,871 12.716,872 2.524,873 8.179,874 9.917,875 7.187,876 15.16,877 7.929,878 11.768,879 0.861,880 14.482,881 2.02,882 8.955,883 11.019,885 17.223,886 8.704,887 13.184,888 0.79,889 16.266,890 1.964,891 10.2,892 12.663,893 9.348,894 19.678,895 9.906,896 3.221,897 0.57,898 18.065,899 1.872,900 11.152,901 13.971,903 21.918,904 10.846,905 2.866,906 11.116,907 19.877,908 1.109,909 12.318,910 15.533,911 11.511,912 24.325,913 11.978,914 2.693,915 9.154,916 21.699,917 4.588,918 13.36,919 16.945,921 26.65,922 13,923 2.667,924 8.22,925 23.531,926 3.885,927 14.499,928 18.474,929 13.675,930 29.046,931 14.109,932 2.589,933 7.425,934 25.372,935 3.522,936 15.589,937 19.939,939 31.411,940 15.175,941 2.284,942 7.409,943 27.221,944 3.015,945 16.723,946 21.456,947 15.838,948 33.807,949 16.281,950 2.113,951 6.965,952 29.076,953 2.847,954 17.84,955 22.947,957 36.192,958 17.371,959 16253,960 25331,961 26.641,962 44.353,963 57.024,964 62.131,965 59.093,966 56.686,967 56.901,968 70.086,969 12.78,970 163.078,971 53.02,972 5.6,973 6.405,974 6.613,975 5.289,976 5.221,977 7.588,978 5.9,979 18.387,980 5.127,981 14.186,982 1.462,983 1.593,984 1.515,985 1.453,986 1.459,987 1.797,988 0.328,989 4.181,990 1.359,991 4.107,992 4.126,993 4.129,994 4.027,995 6.457,996 4.035,997 3.935,998 3.972,999 3.869,1000 3.827,1001 5.083,1002 3.826,1003 3.89,1004 3.94,1005 3.778,1006 3.784,1007 4.876,1008 3.771,1009 3.808,1010 3.834,1011 3.76,1012 3.732,1013 4.719,1014 3.726,1015 3.57,1016 3.605,1017 3.716,1018 3.477,1019 4.55,1020 3.411,1021 3.482,1022 3.541,1023 3.397,1024 3.29,1025 4.443,1026 3.288,1027 3.358,1028 3.413,1029 3.234,1030 3.139,1031 4.306,1032 3.15,1033 3.154,1034 3.217,1035 3.022,1036 2.946,1037 4.113,1038 2.955,1039 0.119,1040 0.113,1041 0.173,1042 0.107,1043 0.083,1044 4.649,1045 0.118,1046 4.405,1047 0.076,1048 6.752,1049 0.285,1050 4.19,1051 0.08,1052 3.221,1053 4.588,1054 2.95,1055 11.116,1056 3.127,1057 2.035,1058 2.02,1059 2.076,1060 2.129,1061 1.234,1062 2.115,1063 1.827,1064 1.814,1065 1.912,1066 1.945,1067 1.072,1068 1.933,1069 1.52,1070 1.476,1071 1.774,1072 1.741,1073 1.03,1074 1.749,1075 1.45,1076 1.396,1077 1.724,1078 1.669,1079 0.992,1080 1.714,1081 1.42,1082 1.372,1083 1.673,1084 1.643,1085 0.977,1086 1.651,1087 1.382,1088 1.327,1089 1.639,1090 1.591,1091 0.931,1092 1.602,1093 1.278,1094 1.225,1095 1.579,1096 1.541,1097 0.825,1098 1.557,1099 1.153,1100 1.064,1101 1.513,1102 1.376,1103 0.825,1104 1.429,1105 4.369,1106 2.565,1107 5.687,1108 4.394,1109 7.204,1110 6.107,1111 8.82,1112 7.779,1113 10.492,1114 3.683,1118 9.208,1119 7.355,1121 23.613,1122 1.589,1123 1.312,1128 41.706,1129 104.436,1130 224.997,1131 310.554,1132 336.918,1133 336.918,1134 336.918,1135 59.305,1136 8.141,1137 82.93,1138 108.23,1139 24,1140 12.865,1141 4.17,1142 3.248,1143 51.652,1144 141,1145 174,1146 0.171,1147 254.078,1148 444.5,1149 611.711,1150 37619,1152 24.2,1153 0.691,1154 0.603,1155 24.554,1156 21.105,1157 17.161,1158 0.44,1159 0.342,1160 12.23,1161 15.878,1162 11.855,1163 9.76,1164 17.615,1165 13.323,1166 14.997,1167 0.278,1168 0.191,1169 15.68,1170 10.313,1171 11.721,1172 0.175,1173 0.093,1174 12.236,1175 6.254,1176 9.833,1177 0.109,1178 0.046,1179 10.359,1180 4.17,1181 8.463,1182 0.068,1183 0.024,1184 8.951,1185 2.969,1186 0.263,1187 112.87,1188 0.194,1189 31.802,1190 0.489,1191 186,1192 545.242,1193 228.505,1194 525.35,1195 724.93,1196 500,1197 220,1198 516.115,1199 254.7,1200 528.636,1201 784.69,1202 498,1203 6.357}
{0 CHEMBL99470,1 1.406,2 13.053,3 7.116,4 50.637,5 144.664,6 7.093,7 0.535,8 4.373,9 4.476,10 3.916,11 3.933,12 5.382,13 3.906,14 4.908,15 5.073,16 4.186,17 4.258,18 5.871,19 4.207,20 5.091,21 5.289,22 4.295,23 4.341,24 6.056,25 4.29,26 5.098,27 5.294,28 4.288,29 4.357,30 6.073,31 4.304,32 5.107,33 5.279,34 4.38,35 4.468,36 6.084,37 4.407,38 5.222,39 5.395,40 4.436,41 4.564,42 6.182,43 4.492,44 5.362,45 5.571,46 4.47,47 4.58,48 6.291,49 4.507,50 5.345,51 5.535,52 4.373,53 4.565,54 6.274,55 4.476,56 0.026,57 0.957,58 15.619,59 7.304,60 9.364,61 9.308,62 0.264,63 1.539,64 29.498,65 11.796,66 31.646,67 15.207,68 0.427,69 1.817,70 36.769,71 13.482,72 42.96,73 17.918,74 0.579,75 1.832,76 37.363,77 13.277,78 51.982,79 17.522,80 0.481,81 1.877,82 36.155,83 14.558,84 42.925,85 19.113,86 0.284,87 2.136,88 40.023,89 16.334,90 42.29,91 21.602,92 0.542,93 2.365,94 48.624,95 17.885,96 58.161,97 23.91,98 0.793,99 2.309,100 47.924,101 17.388,102 64.969,103 22.695,104 9,105 60,106 0.217,107 0.511,108 0.723,109 0.786,110 0.792,111 0.792,112 3.668,113 0.952,114 -5.54,115 -5.42,116 -5.06,117 44.4,118 1,119 5,120 2,122 1,123 3,128 10,129 3,130 4,132 2,134 1,145 16,147 1,148 15,152 11,155 1,156 17,159 8,162 2,163 7,167 11,170 4,171 8,175 22,178 1,179 11,183 15,186 2,187 19,191 13,194 2,195 12,200 13,202 2,203 6,208 20,210 3092,211 26.53,212 26.53,213 26.53,214 26.53,215 26.53,216 23.913,217 24.885,218 15.655,219 27.163,220 21.184,221 21.184,222 21.184,223 21.184,224 21.184,225 16.967,226 26.862,227 7.401,228 22.141,229 4.764,230 2.868,231 1.493,232 1.087,233 1.049,234 1.049,235 4.374,240 1110,241 3.742,242 140.053,244 450.805,245 172.557,246 2.269,247 28.895,250 0.5,251 0.5,252 0.67,253 0.9,254 1,255 0.67,256 0.5,257 0.68,258 81,259 496,260 4.649,261 3.33,262 6.752,263 4.194,264 3.221,265 4.588,266 1.151,267 11.115,268 3.135,269 4.234,270 3.139,271 6.162,272 3.824,273 2.869,274 3.885,275 0.86,276 9.159,277 2.74,278 4.01,279 2.97,280 5.828,281 3.662,282 2.699,283 3.532,284 0.86,285 8.22,286 2.635,287 3.881,288 2.823,289 5.521,290 3.654,291 2.667,292 3.431,293 0.86,294 7.425,295 2.628,296 3.679,297 2.756,298 5.504,299 3.565,300 2.595,301 3.011,303 7.408,304 2.506,305 3.671,306 2.651,307 5.395,308 3.475,309 2.491,310 2.84,312 6.968,313 2.425,314 3.589,315 2.466,316 5.338,317 3.218,318 2.265,319 2.733,320 6.931,321 2.15,322 3.477,323 2.428,324 5.258,325 3.054,326 2.098,327 2.643,328 6.527,329 1.997,330 3.331,331 2.252,332 4.991,333 2.973,334 2.057,335 2.523,336 5.973,337 1.871,338 3.086,339 2.143,340 4.722,341 2.666,342 1.728,343 2.304,344 5.009,345 1.618,346 2.921,347 1.622,348 4.263,349 2.484,350 1.495,351 2.092,352 3.653,353 1.477,354 2.596,355 1.483,356 3.652,357 2.158,358 1.239,359 1.628,360 3.089,361 1.129,362 2.5,363 1.257,364 3.47,365 2,366 1,367 1.5,368 2.136,369 1,370 1.988,371 1.161,372 3.344,373 1.775,374 0.869,375 0.926,376 2.035,377 0.777,378 1.934,379 1.028,380 3.307,381 1.711,382 0.79,383 0.866,384 1.872,385 0.718,386 18.133,387 0.477,388 0.752,389 0.02,390 48.5,391 1.276,392 24,393 0.632,394 24.5,395 0.645,396 36.764,397 0.967,398 40.667,399 0.565,400 38.508,401 1.013,402 8.9,403 0.234,404 9.779,405 0.257,406 0.055,408 0.331,410 0.835,411 1.224,412 0.803,413 1.13,414 0.811,415 0.989,416 1.295,417 1.113,418 0.976,419 1.042,420 1.037,421 0.982,422 1.261,423 1.063,424 0.895,425 0.946,426 1.116,427 0.878,428 1.427,429 0.898,430 0.983,431 0.835,432 1.355,433 0.838,434 1.039,435 0.998,436 0.928,437 0.972,438 0.961,439 0.946,440 1.014,441 1.236,442 1.042,443 1.2,444 1.036,445 1.135,446 1.248,447 1.023,448 0.98,449 0.995,450 1.165,451 0.953,452 1.543,453 1.117,454 1.266,455 1.072,456 1.489,457 1.122,458 7.5,459 0.177,460 3.222,461 1.819,462 2.323,463 1.285,464 0.961,465 0.714,466 0.497,467 0.405,468 23623,469 49948,470 2.192,471 47.2,472 11,473 19,477 2,478 2,480 1.794,481 2.111,482 3.618,483 -0.836,487 101.261,488 1.406,489 3.302,490 4.677,491 5.083,492 5.121,493 5.121,494 3.144,495 4.261,496 5.211,497 3.846,498 2703.8,499 9.227,500 44418.4,505 444.235,506 1.167,507 5.205,508 0.174,509 0.004,510 0.06,511 0.031,512 0.039,513 0.019,514 0.014,515 0.01,516 0.008,517 0.007,518 0.367,519 0.17,520 0.5,521 0.585,522 209.359,523 0.013,524 -0.113,525 0.084,526 -0.061,527 0.033,528 0.009,529 -0.077,530 -0.072,531 -0.002,532 -0.035,533 0.069,534 -0.017,535 0.02,536 -0.032,537 0.112,538 0.027,539 0.085,540 0.075,541 -0.037,542 0.151,543 0.036,544 0.127,545 -0.056,546 0.1,547 0.083,548 0.045,549 0.038,550 0.038,551 0.095,552 0.027,553 -0.018,554 -0.183,555 -0.092,556 -0.19,557 -0.037,558 -0.157,559 -0.018,560 -0.001,561 0.026,562 -0.024,563 0.003,564 0.004,565 -0.115,566 -0.095,567 -0.25,568 -0.101,569 -0.207,570 -0.181,571 1.052,572 2.694,573 0.737,574 50.249,575 0.995,576 1.118,577 4.315,578 18.616,579 0.667,580 3.784,581 4.111,582 4.331,583 4.605,584 4.92,585 5.088,586 5.298,587 5.485,588 5.659,589 5.749,590 7.824,591 0.63,592 510.68,593 3.784,594 5.333,595 6.192,596 7.074,597 7.951,598 8.841,599 9.727,600 10.621,601 11.513,602 12.412,603 2.8,610 2,612 2,613 10,614 2,617 8,618 23,627 4,629 72,630 23,631 3,632 43,633 77,634 32,635 20,636 8,637 10,639 6,640 7,642 1,645 4,646 2,647 5,649 20,650 12,651 2,663 34,664 6,666 6,668 2,669 0.833,670 4,673 1,674 2,676 4,677 1,687 5,690 2,693 38,697 8,699 4,701 2,709 5.6,714 4,716 18,717 13.567,718 8.361,719 4.728,720 4.331,721 1.507,722 0.995,723 7.484,724 12.873,725 4.016,726 4.62,727 5.193,728 5.819,729 6.475,730 6.866,731 7.365,732 7.839,733 8.31,734 8.613,735 0.889,736 59,737 14.111,738 6.035,739 7.482,740 27.788,741 23.523,742 1.982,743 75.333,747 400.217,748 178.067,749 33.571,751 44,754 178.067,755 444.217,756 33.571,757 19.708,758 26.45,759 94.762,760 33.571,761 81.146,763 400.217,765 400.217,766 211.638,767 44,769 379.003,770 67.542,773 40.176,774 135.563,775 33.571,777 400.217,778 77.571,779 178.067,781 400.217,782 63.596,783 114.471,785 77.571,786 400.217,787 77.571,788 178.067,789 0.576,790 0.314,791 0.168,792 0.099,793 30,794 12,795 0.156,796 12,797 1,798 1.071,799 4.916,800 386.854,801 0.071,802 28,803 174.666,806 25.152,807 11.307,808 6.661,809 1.721,810 77.571,811 20.191,812 9.809,815 6.6,817 655.855,818 54.5,825 71.65,826 80.477,827 0.228,828 0.535,829 0.758,830 0.824,831 0.83,832 0.83,833 5.261,834 2.098,835 6.163,836 6.931,837 4.796,838 5.308,839 2.09,840 6.961,841 4.713,842 6.469,843 2.057,844 7.711,845 6.527,846 4.443,847 5.156,849 7.874,850 4.355,851 7.778,852 1.728,853 9.355,854 5.973,855 6.405,856 7.52,857 2.053,858 10.908,859 6.259,860 9.119,861 1.495,862 11.053,863 5.009,864 6.804,865 8.154,867 12.597,868 6.65,869 10.488,870 1.239,871 12.787,872 3.653,873 8.261,874 10.034,875 2.089,876 15.191,877 8.062,878 11.878,879 1,880 14.545,881 3.089,882 9.012,883 11.076,885 17.244,886 8.799,887 13.285,888 0.869,889 16.321,890 2.136,891 10.264,892 12.745,893 2.191,894 19.693,895 10.015,896 3.221,897 0.79,898 18.113,899 2.035,900 11.198,901 14.012,903 21.927,904 10.928,905 2.869,906 11.115,907 19.918,908 1.872,909 12.365,910 15.585,911 2.349,912 24.332,913 12.065,914 2.699,915 9.159,916 21.735,917 4.588,918 13.395,919 16.972,921 26.654,922 13.071,923 2.667,924 8.22,925 23.562,926 3.885,927 14.533,928 18.505,929 2.547,930 29.048,931 14.18,932 2.595,933 7.425,934 25.398,935 3.532,936 15.615,937 19.956,939 31.412,940 15.237,941 2.491,942 7.408,943 27.242,944 3.431,945 16.746,946 21.474,947 2.774,948 33.807,949 16.341,950 2.265,951 6.968,952 29.094,953 3.011,954 17.858,955 22.958,957 36.191,958 17.427,959 21586,960 31614,961 29.819,962 48.012,963 63.742,964 65.02,965 64.709,966 63.271,967 63.398,968 80.761,969 7.462,970 181.627,971 60.574,972 5.599,973 5.33,974 6.554,975 5.293,976 5.221,977 7.588,978 2.302,979 18.386,980 5.135,981 11.841,982 1.482,983 1.512,984 1.505,985 1.471,986 1.474,987 1.878,988 0.174,989 4.224,990 1.409,991 4.118,992 4.14,993 4.09,994 4.031,995 5.091,996 4.042,997 3.936,998 3.974,999 3.858,1000 3.841,1001 4.878,1002 3.835,1003 3.902,1004 3.94,1005 3.827,1006 3.827,1007 4.789,1008 3.826,1009 3.89,1010 3.932,1011 3.76,1012 3.784,1013 4.693,1014 3.771,1015 3.803,1016 3.83,1017 3.711,1018 3.729,1019 4.55,1020 3.722,1021 3.588,1022 3.639,1023 3.502,1024 3.428,1025 4.421,1026 3.433,1027 3.323,1028 3.378,1029 3.178,1030 3.14,1031 4.307,1032 3.147,1033 3.24,1034 3.292,1035 3.079,1036 3.002,1037 4.113,1038 3.007,1039 0.108,1040 0.077,1041 0.157,1042 0.098,1043 0.075,1044 4.649,1045 0.107,1046 3.33,1047 0.027,1048 6.752,1049 0.258,1050 4.194,1051 0.073,1052 3.221,1053 4.588,1054 1.151,1055 11.115,1056 3.135,1057 2.043,1058 2.026,1059 2.094,1060 2.144,1061 1.246,1062 2.129,1063 1.903,1064 1.876,1065 2.03,1066 1.992,1067 1.133,1068 2.005,1069 1.825,1070 1.81,1071 1.915,1072 1.938,1073 1.074,1074 1.93,1075 1.565,1076 1.508,1077 1.821,1078 1.757,1079 1.03,1080 1.776,1081 1.42,1082 1.372,1083 1.673,1084 1.643,1085 1.004,1086 1.651,1087 1.387,1088 1.333,1089 1.64,1090 1.581,1091 0.965,1092 1.601,1093 1.259,1094 1.21,1095 1.575,1096 1.524,1097 0.825,1098 1.543,1099 1.189,1100 1.128,1101 1.513,1102 1.447,1103 0.825,1104 1.451,1105 4.466,1106 2.565,1107 5.79,1108 4.394,1109 7.311,1110 6.107,1111 8.923,1112 7.779,1113 10.586,1114 3.73,1119 7.635,1121 24.313,1123 1.333,1128 45.331,1129 101.261,1130 237.757,1131 336.751,1132 365.97,1133 368.725,1134 368.725,1135 57.496,1136 8.542,1137 62.7,1138 62.7,1139 30,1140 12.936,1141 4.585,1142 3.644,1143 52.714,1144 172,1145 204,1146 0.143,1147 270.737,1148 472.52,1149 652.359,1150 65919,1152 25.899,1153 0.682,1154 0.582,1155 25.899,1156 22.112,1157 18.678,1158 0.434,1159 0.317,1160 13.474,1161 18.018,1162 13.135,1163 10.874,1164 18.678,1165 13.646,1166 16.555,1167 0.276,1168 0.172,1169 16.555,1170 10.338,1171 13.343,1172 0.178,1173 0.087,1174 13.343,1175 6.522,1176 10.982,1177 0.111,1178 0.042,1179 10.982,1180 4.207,1181 9.529,1182 0.07,1183 0.022,1184 9.529,1185 3.018,1186 0.223,1187 116.728,1188 0.183,1189 34.318,1190 0.399,1191 206,1192 550.232,1193 223.671,1194 520.812,1195 732.14,1196 496,1197 244,1198 550.543,1199 262.892,1200 555.893,1201 820.23,1202 524,1203 4}