@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4394 @attribute molecule_id {CHEMBL1076555,CHEMBL1209256,CHEMBL1209322,CHEMBL1209323,CHEMBL1209324,CHEMBL1209325,CHEMBL1209326,CHEMBL1209384,CHEMBL1209385,CHEMBL1209386,CHEMBL1209387,CHEMBL1209388,CHEMBL1209460,CHEMBL1209461,CHEMBL1209462,CHEMBL1209463,CHEMBL1209464,CHEMBL1209542,CHEMBL1209543,CHEMBL1209544,CHEMBL1209545,CHEMBL1209546,CHEMBL1209614,CHEMBL1209615,CHEMBL1209616,CHEMBL1209617,CHEMBL1209685,CHEMBL1209686,CHEMBL1209687,CHEMBL1241832,CHEMBL1289102,CHEMBL1774553,CHEMBL1774554,CHEMBL1774555,CHEMBL1774556,CHEMBL1774557,CHEMBL1774558,CHEMBL1774559,CHEMBL1774560,CHEMBL1774561,CHEMBL1774562,CHEMBL1774563,CHEMBL1774564,CHEMBL1774565,CHEMBL1774566,CHEMBL1774567,CHEMBL1774568,CHEMBL1774569,CHEMBL1774570,CHEMBL1774571,CHEMBL1774572,CHEMBL1774573,CHEMBL1774574,CHEMBL1774585,CHEMBL1774586,CHEMBL1774587,CHEMBL1774588,CHEMBL1927562,CHEMBL1927579,CHEMBL1927581,CHEMBL1927583,CHEMBL1927588,CHEMBL1927590,CHEMBL1927592,CHEMBL1927596,CHEMBL2158693,CHEMBL2158694,CHEMBL2158695,CHEMBL2158696,CHEMBL2158697,CHEMBL2158698,CHEMBL2316958,CHEMBL322333,CHEMBL427579,CHEMBL495798,CHEMBL495816,CHEMBL551092,CHEMBL551232,CHEMBL559072,CHEMBL561025,CHEMBL561296,CHEMBL561434,CHEMBL568698,CHEMBL572686,CHEMBL572687,CHEMBL572723,CHEMBL572912,CHEMBL572954,CHEMBL572955,CHEMBL572985,CHEMBL574237,CHEMBL574238,CHEMBL574941,CHEMBL575137,CHEMBL575356,CHEMBL575357,CHEMBL575358,CHEMBL575560,CHEMBL575748,CHEMBL575772,CHEMBL575959,CHEMBL575960,CHEMBL578596,CHEMBL583709,CHEMBL583979,CHEMBL584561,CHEMBL585551,CHEMBL67166} @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.011 numeric @attribute C.012 numeric @attribute C.016 numeric @attribute C.017 numeric @attribute C.022 numeric @attribute C.024 numeric @attribute C.025 numeric @attribute C.026 numeric @attribute C.027 numeric @attribute C.028 numeric @attribute C.029 numeric @attribute C.031 numeric @attribute C.033 numeric @attribute C.034 numeric @attribute C.037 numeric @attribute C.038 numeric @attribute C.039 numeric @attribute C.040 numeric @attribute C.041 numeric @attribute C.043 numeric @attribute C.044 numeric @attribute CATS2D_00_DD numeric @attribute CATS2D_00_DP numeric @attribute CATS2D_00_PP numeric @attribute CATS2D_01_AA numeric @attribute CATS2D_01_DA numeric @attribute CATS2D_01_LL numeric @attribute CATS2D_02_AA numeric @attribute CATS2D_02_AL numeric @attribute CATS2D_02_DA numeric @attribute CATS2D_02_DD numeric @attribute CATS2D_02_DL numeric @attribute CATS2D_02_DP numeric @attribute CATS2D_02_LL numeric @attribute CATS2D_02_PL numeric @attribute CATS2D_03_AA numeric @attribute CATS2D_03_AL numeric @attribute CATS2D_03_AP numeric @attribute CATS2D_03_DA numeric @attribute CATS2D_03_DD numeric @attribute CATS2D_03_DL numeric @attribute CATS2D_03_DP numeric @attribute CATS2D_03_LL numeric @attribute CATS2D_03_PL numeric @attribute CATS2D_04_AA numeric @attribute CATS2D_04_AL numeric @attribute CATS2D_04_AP numeric @attribute CATS2D_04_DA numeric @attribute CATS2D_04_DD numeric @attribute CATS2D_04_DL numeric @attribute CATS2D_04_DP numeric @attribute CATS2D_04_LL numeric @attribute CATS2D_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_DD numeric @attribute CATS2D_05_DL numeric @attribute CATS2D_05_DP numeric @attribute CATS2D_05_LL numeric @attribute CATS2D_05_PL numeric @attribute CATS2D_06_AA numeric @attribute CATS2D_06_AL numeric @attribute CATS2D_06_DA numeric @attribute CATS2D_06_DD numeric @attribute CATS2D_06_DL numeric @attribute CATS2D_06_DP numeric @attribute CATS2D_06_LL numeric @attribute CATS2D_06_PL numeric @attribute CATS2D_07_AA numeric @attribute CATS2D_07_AL numeric @attribute CATS2D_07_DA numeric @attribute CATS2D_07_DD numeric @attribute CATS2D_07_DL numeric @attribute CATS2D_07_LL numeric @attribute CATS2D_07_PL numeric @attribute CATS2D_08_AA numeric @attribute CATS2D_08_AL numeric @attribute CATS2D_08_DA numeric @attribute CATS2D_08_DL numeric @attribute CATS2D_08_LL numeric @attribute CATS2D_08_PL numeric @attribute CATS2D_09_AA numeric @attribute CATS2D_09_AL numeric @attribute CATS2D_09_AP numeric @attribute CATS2D_09_DA numeric @attribute CATS2D_09_DD numeric @attribute CATS2D_09_DL numeric @attribute CATS2D_09_LL numeric @attribute CATS2D_09_PL numeric @attribute CENT numeric @attribute Chi0_AEA.bo. numeric @attribute Chi0_AEA.dm. numeric @attribute Chi0_AEA.ed. numeric @attribute Chi0_AEA.ri. numeric @attribute Chi0_EA numeric @attribute Chi0_EA.bo. numeric @attribute Chi0_EA.dm. numeric @attribute Chi0_EA.ed. numeric @attribute Chi0_EA.ri. numeric @attribute Chi1_AEA.bo. numeric @attribute Chi1_AEA.dm. numeric @attribute Chi1_AEA.ed. numeric @attribute Chi1_AEA.ri. numeric @attribute Chi1_EA numeric @attribute Chi1_EA.bo. numeric @attribute Chi1_EA.dm. numeric @attribute Chi1_EA.ed. numeric @attribute Chi1_EA.ri. numeric @attribute CIC0 numeric @attribute CIC1 numeric @attribute CIC2 numeric @attribute CIC3 numeric @attribute CIC4 numeric @attribute CIC5 numeric @attribute CID numeric @attribute Cl.089 numeric @attribute CMC.50 numeric @attribute CMC.80 numeric @attribute cRo5 numeric @attribute CSI numeric @attribute DBI numeric @attribute D.Dtr03 numeric @attribute D.Dtr04 numeric @attribute D.Dtr05 numeric @attribute D.Dtr06 numeric @attribute D.Dtr07 numeric @attribute D.Dtr08 numeric @attribute D.Dtr09 numeric @attribute D.Dtr10 numeric @attribute DECC numeric @attribute DELS numeric @attribute Depressant.80 numeric @attribute DLS_01 numeric @attribute DLS_02 numeric @attribute DLS_03 numeric @attribute DLS_04 numeric @attribute DLS_05 numeric @attribute DLS_06 numeric @attribute DLS_07 numeric @attribute DLS_cons numeric @attribute Dz numeric @attribute ECC numeric @attribute Eig01_AEA.bo. numeric @attribute Eig01_AEA.dm. numeric @attribute Eig01_AEA.ed. numeric @attribute Eig01_AEA.ri. numeric @attribute Eig01_EA numeric @attribute Eig01_EA.bo. numeric @attribute Eig01_EA.dm. numeric @attribute Eig01_EA.ed. numeric @attribute Eig01_EA.ri. numeric @attribute Eig02_AEA.bo. numeric @attribute Eig02_AEA.dm. numeric @attribute Eig02_AEA.ed. numeric @attribute Eig02_AEA.ri. numeric @attribute Eig02_EA numeric @attribute Eig02_EA.bo. numeric @attribute Eig02_EA.dm. numeric @attribute Eig02_EA.ed. numeric @attribute Eig02_EA.ri. numeric @attribute Eig03_AEA.bo. numeric @attribute Eig03_AEA.dm. numeric @attribute Eig03_AEA.ed. numeric @attribute Eig03_AEA.ri. numeric @attribute Eig03_EA numeric @attribute Eig03_EA.bo. numeric @attribute Eig03_EA.dm. numeric @attribute Eig03_EA.ed. numeric @attribute Eig03_EA.ri. numeric @attribute Eig04_AEA.bo. numeric @attribute Eig04_AEA.dm. numeric @attribute Eig04_AEA.ed. numeric @attribute Eig04_AEA.ri. numeric @attribute Eig04_EA numeric @attribute Eig04_EA.bo. numeric @attribute Eig04_EA.dm. numeric @attribute Eig04_EA.ed. numeric @attribute Eig04_EA.ri. numeric @attribute Eig05_AEA.bo. numeric @attribute Eig05_AEA.dm. numeric @attribute Eig05_AEA.ed. numeric @attribute Eig05_AEA.ri. numeric @attribute Eig05_EA numeric @attribute Eig05_EA.bo. numeric @attribute Eig05_EA.dm. numeric @attribute Eig05_EA.ed. numeric @attribute Eig05_EA.ri. numeric @attribute Eig06_AEA.bo. numeric @attribute Eig06_AEA.dm. numeric @attribute Eig06_AEA.ed. numeric @attribute Eig06_AEA.ri. numeric @attribute Eig06_EA numeric @attribute Eig06_EA.bo. numeric @attribute Eig06_EA.dm. numeric @attribute Eig06_EA.ed. numeric @attribute Eig06_EA.ri. numeric @attribute Eig07_AEA.bo. numeric @attribute Eig07_AEA.dm. numeric @attribute Eig07_AEA.ed. numeric @attribute Eig07_AEA.ri. numeric @attribute Eig07_EA numeric @attribute Eig07_EA.bo. numeric @attribute Eig07_EA.dm. numeric @attribute Eig07_EA.ed. numeric @attribute Eig07_EA.ri. numeric @attribute Eig08_AEA.bo. numeric @attribute Eig08_AEA.dm. numeric @attribute Eig08_AEA.ed. numeric @attribute Eig08_AEA.ri. numeric @attribute Eig08_EA numeric @attribute Eig08_EA.bo. numeric @attribute Eig08_EA.dm. numeric @attribute Eig08_EA.ed. numeric @attribute Eig08_EA.ri. numeric @attribute Eig09_AEA.bo. numeric @attribute Eig09_AEA.dm. numeric @attribute Eig09_AEA.ed. numeric @attribute Eig09_AEA.ri. numeric @attribute Eig09_EA numeric @attribute Eig09_EA.bo. numeric @attribute Eig09_EA.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 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 I.099 numeric @attribute IAC numeric @attribute IC0 numeric @attribute IC1 numeric @attribute IC2 numeric @attribute IC3 numeric @attribute IC4 numeric @attribute IC5 numeric @attribute ICR numeric @attribute IDDE numeric @attribute IDDM numeric @attribute IDE numeric @attribute IDET numeric @attribute IDM numeric @attribute IDMT numeric @attribute Infective.80 numeric @attribute Inflammat.80 numeric @attribute ISIZ numeric @attribute IVDE numeric @attribute IVDM numeric @attribute JGI1 numeric @attribute JGI10 numeric @attribute JGI2 numeric @attribute JGI3 numeric @attribute JGI4 numeric @attribute JGI5 numeric @attribute JGI6 numeric @attribute JGI7 numeric @attribute JGI8 numeric @attribute JGI9 numeric @attribute JGT numeric @attribute LLS_01 numeric @attribute LLS_02 numeric @attribute LOC numeric @attribute LPRS numeric @attribute MATS1e numeric @attribute MATS1i numeric @attribute MATS1m numeric @attribute MATS1p numeric @attribute MATS1s numeric @attribute MATS1v numeric @attribute MATS2e numeric @attribute MATS2i numeric @attribute MATS2m numeric @attribute MATS2p numeric @attribute MATS2s numeric @attribute MATS2v numeric @attribute MATS3e numeric @attribute MATS3i numeric @attribute MATS3m numeric @attribute MATS3p numeric @attribute MATS3s numeric @attribute MATS3v numeric @attribute MATS4e numeric @attribute MATS4i numeric @attribute MATS4m numeric @attribute MATS4p numeric @attribute MATS4s numeric @attribute MATS4v numeric @attribute MATS5e numeric @attribute MATS5i numeric @attribute MATS5m numeric @attribute MATS5p numeric @attribute MATS5s numeric @attribute MATS5v numeric @attribute MATS6e numeric @attribute MATS6i numeric @attribute MATS6m numeric @attribute MATS6p numeric @attribute MATS6s numeric @attribute MATS6v numeric @attribute MATS7e numeric @attribute MATS7i numeric @attribute MATS7m numeric @attribute MATS7p numeric @attribute MATS7s numeric @attribute MATS7v numeric @attribute MATS8e numeric @attribute MATS8i numeric @attribute MATS8m numeric @attribute MATS8p numeric @attribute MATS8s numeric @attribute MATS8v numeric @attribute MAXDN numeric @attribute MAXDP numeric @attribute MCD numeric @attribute MDDD numeric @attribute Me numeric @attribute Mi numeric @attribute MLOGP numeric @attribute MLOGP2 numeric @attribute Mp numeric @attribute MPC01 numeric @attribute MPC02 numeric @attribute MPC03 numeric @attribute MPC04 numeric @attribute MPC05 numeric @attribute MPC06 numeric @attribute MPC07 numeric @attribute MPC08 numeric @attribute MPC09 numeric @attribute MPC10 numeric @attribute MSD numeric @attribute Mv numeric @attribute MW numeric @attribute MWC01 numeric @attribute MWC02 numeric @attribute MWC03 numeric @attribute MWC04 numeric @attribute MWC05 numeric @attribute MWC06 numeric @attribute MWC07 numeric @attribute MWC08 numeric @attribute MWC09 numeric @attribute MWC10 numeric @attribute N. numeric @attribute N.066 numeric @attribute N.067 numeric @attribute N.068 numeric @attribute N.070 numeric @attribute N.071 numeric @attribute N.072 numeric @attribute N.073 numeric @attribute N.074 numeric @attribute N.075 numeric @attribute N.079 numeric @attribute NaaaC numeric @attribute NaaCH numeric @attribute NaaN numeric @attribute NaaNH numeric @attribute NaaO numeric @attribute NaaS numeric @attribute NaasC numeric @attribute NaasN numeric @attribute nAB numeric @attribute nArCONHR numeric @attribute nArCONR2 numeric @attribute nArNHR numeric @attribute nArNR2 numeric @attribute nArOH numeric @attribute nArOR numeric @attribute nArX numeric @attribute nAT numeric @attribute nBM numeric @attribute nBnz numeric @attribute nBO numeric @attribute nBT numeric @attribute nC numeric @attribute nCar numeric @attribute nCb. numeric @attribute nCbH numeric @attribute nCconj numeric @attribute nCIC numeric @attribute nCIR numeric @attribute nCL numeric @attribute nC.N.N. 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 NdNH numeric @attribute NdO numeric @attribute NdsCH numeric @attribute NdsN numeric @attribute NdssC numeric @attribute Neoplastic.50 numeric @attribute Neoplastic.80 numeric @attribute nH numeric @attribute nHAcc numeric @attribute nHDon numeric @attribute nHet numeric @attribute nHM numeric @attribute nI numeric @attribute nImidazoles numeric @attribute nN numeric @attribute nN. numeric @attribute nN.C.N. numeric @attribute nNq numeric @attribute NNRS numeric @attribute nO numeric @attribute nOHp numeric @attribute nOHs numeric @attribute nOHt numeric @attribute nOxazoles numeric @attribute nPyrazoles numeric @attribute nPyrimidines numeric @attribute nPyrrolidines numeric @attribute nR03 numeric @attribute nR04 numeric @attribute nR05 numeric @attribute nR06 numeric @attribute nR07 numeric @attribute nR08 numeric @attribute nR09 numeric @attribute nR10 numeric @attribute nR.C. numeric @attribute nRCO numeric @attribute nRCONHR numeric @attribute nRCONR2 numeric @attribute nR.Cs numeric @attribute nR.Ct numeric @attribute nRNH2 numeric @attribute nRNHR numeric @attribute nRNR2 numeric @attribute nROCON numeric @attribute nROH numeric @attribute nROR numeric @attribute NRS numeric @attribute nS numeric @attribute NsCH3 numeric @attribute NsCl numeric @attribute NsI numeric @attribute nSK numeric @attribute NsNH2 numeric @attribute NsOH numeric @attribute NssCH2 numeric @attribute NssNH numeric @attribute NssO numeric @attribute NsssCH numeric @attribute NsssN numeric @attribute NssssC numeric @attribute NssssN. numeric @attribute nTB numeric @attribute nThiazoles numeric @attribute nThiophenes numeric @attribute nTriazoles numeric @attribute NtsC numeric @attribute nX numeric @attribute O. numeric @attribute O.056 numeric @attribute O.057 numeric @attribute O.058 numeric @attribute O.059 numeric @attribute O.060 numeric @attribute 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_i_1 numeric @attribute P_VSA_i_2 numeric @attribute P_VSA_i_3 numeric @attribute P_VSA_i_4 numeric @attribute P_VSA_LogP_1 numeric @attribute P_VSA_LogP_2 numeric @attribute P_VSA_LogP_3 numeric @attribute P_VSA_LogP_4 numeric @attribute P_VSA_LogP_5 numeric @attribute P_VSA_LogP_6 numeric @attribute P_VSA_LogP_7 numeric @attribute P_VSA_LogP_8 numeric @attribute P_VSA_m_1 numeric @attribute P_VSA_m_2 numeric @attribute P_VSA_m_3 numeric @attribute P_VSA_m_4 numeric @attribute P_VSA_m_5 numeric @attribute P_VSA_MR_1 numeric @attribute P_VSA_MR_2 numeric @attribute P_VSA_MR_3 numeric @attribute P_VSA_MR_5 numeric @attribute P_VSA_MR_6 numeric @attribute P_VSA_MR_7 numeric @attribute P_VSA_MR_8 numeric @attribute P_VSA_p_1 numeric @attribute P_VSA_p_2 numeric @attribute P_VSA_p_3 numeric @attribute P_VSA_p_4 numeric @attribute P_VSA_s_2 numeric @attribute P_VSA_s_3 numeric @attribute P_VSA_s_4 numeric @attribute P_VSA_s_5 numeric @attribute P_VSA_s_6 numeric @attribute P_VSA_v_1 numeric @attribute P_VSA_v_2 numeric @attribute P_VSA_v_3 numeric @attribute P_VSA_v_4 numeric @attribute PW2 numeric @attribute PW3 numeric @attribute PW4 numeric @attribute PW5 numeric @attribute Qindex numeric @attribute Ram numeric @attribute RBF numeric @attribute RBN numeric @attribute Rbrid numeric @attribute RCI numeric @attribute RDCHI numeric @attribute RDSQ numeric @attribute RFD numeric @attribute Rperim numeric @attribute S0K numeric @attribute S.107 numeric @attribute S1K numeric @attribute S2K numeric @attribute S3K numeric @attribute SaaaC numeric @attribute SAacc numeric @attribute SaaCH numeric @attribute SaaN numeric @attribute SaaNH numeric @attribute SaaO numeric @attribute SaaS numeric @attribute SaasC numeric @attribute SaasN numeric @attribute SAdon numeric @attribute SAtot numeric @attribute SCBO numeric @attribute SdNH numeric @attribute SdO numeric @attribute SdsCH numeric @attribute SdsN numeric @attribute SdssC numeric @attribute Se numeric @attribute Si numeric @attribute SIC0 numeric @attribute SIC1 numeric @attribute SIC2 numeric @attribute SIC3 numeric @attribute SIC4 numeric @attribute SIC5 numeric @attribute SM02_AEA.bo. numeric @attribute SM02_AEA.dm. numeric @attribute SM02_AEA.ed. numeric @attribute SM02_AEA.ri. numeric @attribute SM02_EA numeric @attribute SM02_EA.bo. numeric @attribute SM02_EA.dm. numeric @attribute SM02_EA.ed. numeric @attribute SM02_EA.ri. numeric @attribute SM03_AEA.bo. numeric @attribute SM03_AEA.dm. numeric @attribute SM03_AEA.ed. numeric @attribute SM03_AEA.ri. numeric @attribute SM03_EA numeric @attribute SM03_EA.bo. numeric @attribute SM03_EA.dm. numeric @attribute SM03_EA.ed. numeric @attribute SM03_EA.ri. numeric @attribute SM04_AEA.bo. numeric @attribute SM04_AEA.dm. numeric @attribute SM04_AEA.ed. numeric @attribute SM04_AEA.ri. numeric @attribute SM04_EA numeric @attribute SM04_EA.bo. numeric @attribute SM04_EA.dm. numeric @attribute SM04_EA.ed. numeric @attribute SM04_EA.ri. numeric @attribute SM05_AEA.bo. numeric @attribute SM05_AEA.dm. numeric @attribute SM05_AEA.ed. numeric @attribute SM05_AEA.ri. numeric @attribute SM05_EA numeric @attribute SM05_EA.bo. numeric @attribute SM05_EA.dm. numeric @attribute SM05_EA.ed. numeric @attribute SM05_EA.ri. numeric @attribute SM06_AEA.bo. numeric @attribute SM06_AEA.dm. numeric @attribute SM06_AEA.ed. numeric @attribute SM06_AEA.ri. numeric @attribute SM06_EA numeric @attribute SM06_EA.bo. numeric @attribute SM06_EA.dm. numeric @attribute SM06_EA.ed. numeric @attribute SM06_EA.ri. numeric @attribute SM07_AEA.bo. numeric @attribute SM07_AEA.dm. numeric @attribute SM07_AEA.ed. numeric @attribute SM07_AEA.ri. numeric @attribute SM07_EA numeric @attribute SM07_EA.bo. numeric @attribute SM07_EA.dm. numeric @attribute SM07_EA.ed. numeric @attribute SM07_EA.ri. numeric @attribute SM08_AEA.bo. numeric @attribute SM08_AEA.dm. numeric @attribute SM08_AEA.ed. numeric @attribute SM08_AEA.ri. numeric @attribute SM08_EA numeric @attribute SM08_EA.bo. numeric @attribute SM08_EA.dm. numeric @attribute SM08_EA.ed. numeric @attribute SM08_EA.ri. numeric @attribute SM09_AEA.bo. numeric @attribute SM09_AEA.dm. numeric @attribute SM09_AEA.ed. numeric @attribute SM09_AEA.ri. numeric @attribute SM09_EA numeric @attribute SM09_EA.bo. numeric @attribute SM09_EA.dm. numeric @attribute SM09_EA.ed. numeric @attribute SM09_EA.ri. numeric @attribute SM10_AEA.bo. numeric @attribute SM10_AEA.dm. numeric @attribute SM10_AEA.ed. numeric @attribute SM10_AEA.ri. numeric @attribute SM10_EA numeric @attribute SM10_EA.bo. numeric @attribute SM10_EA.dm. numeric @attribute SM10_EA.ed. numeric @attribute SM10_EA.ri. numeric @attribute SM11_AEA.bo. numeric @attribute SM11_AEA.dm. numeric @attribute SM11_AEA.ed. numeric @attribute SM11_AEA.ri. numeric @attribute SM11_EA numeric @attribute SM11_EA.bo. numeric @attribute SM11_EA.dm. numeric @attribute SM11_EA.ed. numeric @attribute SM11_EA.ri. numeric @attribute SM12_AEA.bo. numeric @attribute SM12_AEA.dm. numeric @attribute SM12_AEA.ed. numeric @attribute SM12_AEA.ri. numeric @attribute SM12_EA numeric @attribute SM12_EA.bo. numeric @attribute SM12_EA.dm. numeric @attribute SM12_EA.ed. numeric @attribute SM12_EA.ri. numeric @attribute SM13_AEA.bo. numeric @attribute SM13_AEA.dm. numeric @attribute SM13_AEA.ed. numeric @attribute SM13_AEA.ri. numeric @attribute SM13_EA numeric @attribute SM13_EA.bo. numeric @attribute SM13_EA.dm. numeric @attribute SM13_EA.ed. numeric @attribute SM13_EA.ri. numeric @attribute SM14_AEA.bo. numeric @attribute SM14_AEA.dm. numeric @attribute SM14_AEA.ed. numeric @attribute SM14_AEA.ri. numeric @attribute SM14_EA numeric @attribute SM14_EA.bo. numeric @attribute SM14_EA.dm. numeric @attribute SM14_EA.ed. numeric @attribute SM14_EA.ri. numeric @attribute SM15_AEA.bo. numeric @attribute SM15_AEA.dm. numeric @attribute SM15_AEA.ed. numeric @attribute SM15_AEA.ri. numeric @attribute SM15_EA numeric @attribute SM15_EA.bo. numeric @attribute SM15_EA.dm. numeric @attribute SM15_EA.ed. numeric @attribute SM15_EA.ri. numeric @attribute SMTI numeric @attribute SMTIV numeric @attribute SNar numeric @attribute Sp numeric @attribute SpAD_AEA.bo. numeric @attribute SpAD_AEA.dm. numeric @attribute SpAD_AEA.ed. numeric @attribute SpAD_AEA.ri. numeric @attribute SpAD_EA numeric @attribute SpAD_EA.bo. numeric @attribute SpAD_EA.dm. numeric @attribute SpAD_EA.ed. numeric @attribute SpAD_EA.ri. numeric @attribute SpDiam_AEA.bo. numeric @attribute SpDiam_AEA.dm. numeric @attribute SpDiam_AEA.ed. numeric @attribute SpDiam_AEA.ri. numeric @attribute SpDiam_EA numeric @attribute SpDiam_EA.bo. numeric @attribute SpDiam_EA.dm. numeric @attribute SpDiam_EA.ed. numeric @attribute SpDiam_EA.ri. numeric @attribute SPI numeric @attribute SpMAD_AEA.bo. numeric @attribute SpMAD_AEA.dm. numeric @attribute SpMAD_AEA.ed. numeric @attribute SpMAD_AEA.ri. numeric @attribute SpMAD_EA numeric @attribute SpMAD_EA.bo. numeric @attribute SpMAD_EA.dm. numeric @attribute SpMAD_EA.ed. numeric @attribute SpMAD_EA.ri. numeric @attribute SpMax1_Bh.e. numeric @attribute SpMax1_Bh.i. numeric @attribute SpMax1_Bh.m. numeric @attribute SpMax1_Bh.p. numeric @attribute SpMax1_Bh.s. numeric @attribute SpMax1_Bh.v. numeric @attribute SpMax2_Bh.e. numeric @attribute SpMax2_Bh.i. numeric @attribute SpMax2_Bh.m. numeric @attribute SpMax2_Bh.p. numeric @attribute SpMax2_Bh.s. numeric @attribute SpMax2_Bh.v. numeric @attribute SpMax3_Bh.e. numeric @attribute SpMax3_Bh.i. numeric @attribute SpMax3_Bh.m. numeric @attribute SpMax3_Bh.p. numeric @attribute SpMax3_Bh.s. numeric @attribute SpMax3_Bh.v. numeric @attribute SpMax4_Bh.e. numeric @attribute SpMax4_Bh.i. numeric @attribute SpMax4_Bh.m. numeric @attribute SpMax4_Bh.p. numeric @attribute SpMax4_Bh.s. numeric @attribute SpMax4_Bh.v. numeric @attribute SpMax5_Bh.e. numeric @attribute SpMax5_Bh.i. numeric @attribute SpMax5_Bh.m. numeric @attribute SpMax5_Bh.p. numeric @attribute SpMax5_Bh.s. numeric @attribute SpMax5_Bh.v. numeric @attribute SpMax6_Bh.e. numeric @attribute SpMax6_Bh.i. numeric @attribute SpMax6_Bh.m. numeric @attribute SpMax6_Bh.p. numeric @attribute SpMax6_Bh.s. numeric @attribute SpMax6_Bh.v. numeric @attribute SpMax7_Bh.e. numeric @attribute SpMax7_Bh.i. numeric @attribute SpMax7_Bh.m. numeric @attribute SpMax7_Bh.p. numeric @attribute SpMax7_Bh.s. numeric @attribute SpMax7_Bh.v. numeric @attribute SpMax8_Bh.e. numeric @attribute SpMax8_Bh.i. numeric @attribute SpMax8_Bh.m. numeric @attribute SpMax8_Bh.p. numeric @attribute SpMax8_Bh.s. numeric @attribute SpMax8_Bh.v. numeric @attribute SpMaxA_AEA.bo. numeric @attribute SpMaxA_AEA.dm. numeric @attribute SpMaxA_AEA.ed. numeric @attribute SpMaxA_AEA.ri. numeric @attribute SpMaxA_EA numeric @attribute SpMax_AEA.bo. numeric @attribute SpMaxA_EA.bo. numeric @attribute SpMax_AEA.dm. numeric @attribute SpMaxA_EA.dm. numeric @attribute SpMax_AEA.ed. numeric @attribute SpMaxA_EA.ed. numeric @attribute SpMax_AEA.ri. numeric @attribute SpMaxA_EA.ri. numeric @attribute SpMax_EA numeric @attribute SpMax_EA.bo. numeric @attribute SpMax_EA.dm. numeric @attribute SpMax_EA.ed. numeric @attribute SpMax_EA.ri. numeric @attribute SpMin1_Bh.e. numeric @attribute SpMin1_Bh.i. numeric @attribute SpMin1_Bh.m. numeric @attribute SpMin1_Bh.p. numeric @attribute SpMin1_Bh.s. numeric @attribute SpMin1_Bh.v. numeric @attribute SpMin2_Bh.e. numeric @attribute SpMin2_Bh.i. numeric @attribute SpMin2_Bh.m. numeric @attribute SpMin2_Bh.p. numeric @attribute SpMin2_Bh.s. numeric @attribute SpMin2_Bh.v. numeric @attribute SpMin3_Bh.e. numeric @attribute SpMin3_Bh.i. numeric @attribute SpMin3_Bh.m. numeric @attribute SpMin3_Bh.p. numeric @attribute SpMin3_Bh.s. numeric @attribute SpMin3_Bh.v. numeric @attribute SpMin4_Bh.e. numeric @attribute SpMin4_Bh.i. numeric @attribute SpMin4_Bh.m. numeric @attribute SpMin4_Bh.p. numeric @attribute SpMin4_Bh.s. numeric @attribute SpMin4_Bh.v. numeric @attribute SpMin5_Bh.e. numeric @attribute SpMin5_Bh.i. numeric @attribute SpMin5_Bh.m. numeric @attribute SpMin5_Bh.p. numeric @attribute SpMin5_Bh.s. numeric @attribute SpMin5_Bh.v. numeric @attribute SpMin6_Bh.e. numeric @attribute SpMin6_Bh.i. numeric @attribute SpMin6_Bh.m. numeric @attribute SpMin6_Bh.p. numeric @attribute SpMin6_Bh.s. numeric @attribute SpMin6_Bh.v. numeric @attribute SpMin7_Bh.e. numeric @attribute SpMin7_Bh.i. numeric @attribute SpMin7_Bh.m. numeric @attribute SpMin7_Bh.p. numeric @attribute SpMin7_Bh.s. numeric @attribute SpMin7_Bh.v. numeric @attribute SpMin8_Bh.e. numeric @attribute SpMin8_Bh.i. numeric @attribute SpMin8_Bh.m. numeric @attribute SpMin8_Bh.p. numeric @attribute SpMin8_Bh.s. numeric @attribute SpMin8_Bh.v. numeric @attribute SRW02 numeric @attribute 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 SsI numeric @attribute SsNH2 numeric @attribute SsOH numeric @attribute SssCH2 numeric @attribute SssNH numeric @attribute SssO numeric @attribute SsssCH numeric @attribute SsssN numeric @attribute SssssC numeric @attribute SssssN. numeric @attribute StsC numeric @attribute Sv numeric @attribute TIC0 numeric @attribute TIC1 numeric @attribute TIC2 numeric @attribute TIC3 numeric @attribute TIC4 numeric @attribute TIC5 numeric @attribute TIE numeric @attribute TPC numeric @attribute TPSA.NO. numeric @attribute TPSA.Tot. numeric @attribute TRS numeric @attribute TWC numeric @attribute Uc numeric @attribute Ui numeric @attribute Uindex numeric @attribute UNIP numeric @attribute VAR numeric @attribute Vindex numeric @attribute VvdwMG numeric @attribute VvdwZAZ numeric @attribute Vx numeric @attribute Wap numeric @attribute X. numeric @attribute X0 numeric @attribute X0A numeric @attribute X0Av numeric @attribute X0sol numeric @attribute X0v numeric @attribute X1 numeric @attribute X1A numeric @attribute X1Av numeric @attribute X1Kup numeric @attribute X1Mad numeric @attribute X1MulPer numeric @attribute X1Per numeric @attribute X1sol numeric @attribute X1v numeric @attribute X2 numeric @attribute X2A numeric @attribute X2Av numeric @attribute X2sol numeric @attribute X2v numeric @attribute X3 numeric @attribute X3A numeric @attribute X3Av numeric @attribute X3sol numeric @attribute X3v numeric @attribute X4 numeric @attribute X4A numeric @attribute X4Av numeric @attribute X4sol numeric @attribute X4v numeric @attribute X5 numeric @attribute X5A numeric @attribute X5Av numeric @attribute X5sol numeric @attribute X5v numeric @attribute Xindex numeric @attribute XMOD numeric @attribute Xt numeric @attribute Xu numeric @attribute Yindex numeric @attribute ZM1 numeric @attribute ZM1Kup numeric @attribute ZM1Mad numeric @attribute ZM1MulPer numeric @attribute ZM1Per numeric @attribute ZM1V numeric @attribute ZM2 numeric @attribute ZM2Kup numeric @attribute ZM2Mad numeric @attribute ZM2MulPer numeric @attribute ZM2Per numeric @attribute ZM2V numeric @attribute pXC50 numeric @data {1 1.772,2 9.85,3 4.721,4 22.29,5 82.433,6 9.768,7 0.773,8 3.561,9 3.644,10 3.41,11 3.271,12 4.772,13 3.218,14 3.981,15 4.079,16 3.793,17 3.617,18 5.207,19 3.549,20 4.188,21 4.35,22 3.675,23 3.628,24 5.349,25 3.525,26 4.127,27 4.324,28 3.558,29 3.528,30 5.188,31 3.381,32 3.959,33 4.16,34 3.508,35 3.43,36 4.986,37 3.264,38 3.752,39 3.901,40 3.368,41 3.258,42 4.887,43 3.125,44 3.633,45 3.799,46 3.391,47 3.116,48 4.802,49 2.995,50 3.525,51 3.697,52 2.925,53 2.968,54 4.66,55 2.875,56 0.056,57 0.402,58 3.802,59 2.471,60 7.286,61 2.643,62 0.084,63 0.652,64 7.744,65 4.09,66 6.993,67 4.554,68 0.191,69 0.774,70 14.254,71 5.635,72 23.43,73 6.057,74 0.207,75 0.759,76 15.004,77 5.745,78 25.061,79 6.286,80 0.184,81 0.698,82 16.542,83 5.931,84 17.222,85 6.125,86 0.162,87 0.543,88 12.1,89 4.292,90 14.38,91 3.856,92 0.163,93 0.418,94 12.435,95 3.629,96 13.888,97 3.967,98 0.091,99 0.37,100 6.942,101 3.007,102 8.861,103 3.642,104 5,105 30,106 0.33,107 0.606,108 0.73,109 0.826,110 0.826,111 0.826,112 3.057,113 0.987,114 -4.75,115 -4.66,116 -4.38,117 48.4,130 8,131 1,132 3,134 1,137 1,145 1,151 6,153 2,154 1,156 5,158 8,161 2,165 4,167 7,170 4,174 1,176 5,179 2,182 1,183 2,185 4,188 1,191 2,193 2,197 1,199 1,200 7,205 1,206 8,213 1,214 4,216 474,217 13.533,218 13.533,219 13.533,220 13.533,221 13.533,222 11.45,223 13.245,224 8.035,225 14.023,226 10.87,227 10.87,228 10.87,229 10.87,230 10.87,231 7.858,232 19.304,233 3.882,234 11.768,235 3.182,236 1.694,237 1.032,238 0.516,239 0.516,240 0.516,241 3.738,242 1,244 1,245 1,246 425,247 2,250 55.109,251 133.738,256 1.58,257 14.483,259 1,260 1,261 1,262 0.4,264 1,265 1,266 0.77,267 42.333,268 197,269 4.314,270 3.025,271 6.188,272 3.887,273 2.941,274 3.982,275 0.4,276 9.253,277 2.802,278 4.034,279 2.892,280 5.575,281 3.615,282 2.655,283 3.63,285 7.64,286 2.549,287 3.843,288 2.727,289 5.187,290 3.322,291 2.42,292 3.411,294 6.507,295 2.144,296 3.52,297 2.482,298 5.008,299 3.1,300 2.192,301 2.833,303 5.984,304 1.962,305 3.305,306 2.086,307 4.81,308 2.831,309 1.922,310 2.597,312 5.441,313 1.69,314 2.693,315 1.397,316 4.161,317 2.194,318 1.267,319 1.772,321 3.577,322 1.142,323 2.5,324 1,325 3.414,326 2,327 1,328 1.5,330 2.275,331 1,332 2.5,333 1,334 3.414,335 2,336 1,337 1.5,339 2.275,340 1,341 2.184,342 0.737,343 3.276,344 1.491,345 0.7,346 1.032,347 1.696,348 0.542,349 1.406,350 0.424,351 2.868,352 1.059,353 0.139,354 0.169,355 0.334,356 0.126,357 1.114,358 0.308,359 2.388,360 0.636,361 -0.208,362 -0.261,363 -0.46,364 -0.142,365 0.692,366 -0.272,367 2,368 0.326,369 -0.575,370 -0.698,371 -1.485,372 -0.508,373 0.5,374 -0.855,375 2,377 -1,378 -1.368,379 -2.93,380 -0.858,381 0.5,382 -1,383 1.854,385 -1,386 -1.5,387 -3,388 -1,389 0.116,390 -1,391 1.617,392 -0.331,393 -1.147,394 -1.5,395 -3,396 -1,397 10.181,398 0.509,399 0.468,400 0.023,401 29.5,402 1.475,403 17,404 0.85,405 12.5,406 0.625,407 12.398,408 0.62,409 19.819,410 0.639,411 17.582,412 0.879,413 5.742,414 0.287,415 3.962,416 0.198,417 0.103,419 0.295,420 0.879,421 0.93,422 0.606,423 0.667,424 0.94,425 0.68,426 0.618,427 1.258,428 0.764,429 1.069,430 0.559,431 0.962,432 1.193,433 1.133,434 1.033,435 0.999,436 1.077,437 1.075,438 1.095,439 1,440 0.991,441 0.911,442 1.035,443 1.014,444 0.607,445 1.003,446 1.117,447 1.124,448 0.449,449 0.872,450 1.083,451 1.126,452 1.412,453 1.351,454 0.905,455 1.103,456 0.726,457 0.87,458 0.76,459 0.888,460 0.798,461 0.928,462 0.574,463 0.916,464 0.701,465 1.013,466 0.74,467 1.065,468 4.5,469 0.082,470 2,471 0.847,472 0.814,473 0.452,474 0.358,475 0.208,476 0.072,477 0.102,478 4187,479 14266,480 2.107,481 35.5,483 8,484 1,486 2,490 1.611,491 2,492 3.288,493 0.361,497 54.923,498 1.772,499 3.26,500 3.922,501 4.438,502 4.438,503 4.438,504 2.746,505 3.822,506 4.292,507 3.395,508 645.045,509 7.3,510 6694.27,511 1,513 153.58,514 1.295,515 4.266,516 0.205,517 0.01,518 0.067,519 0.033,520 0.039,521 0.023,522 0.021,523 0.014,524 0.006,525 0.01,526 0.426,527 0.5,528 1,529 0.548,530 89.96,531 -0.133,532 0.054,533 0.005,534 0.115,535 -0.202,536 0.077,537 0.079,538 -0.264,539 -0.017,540 -0.211,541 0.067,542 -0.155,543 -0.205,544 -0.142,545 -0.158,546 -0.116,547 -0.125,548 -0.167,549 -0.18,550 0.029,551 -0.045,552 0.074,553 -0.177,554 -0.022,555 0.084,556 0.128,557 0.016,558 0.122,559 0.129,560 0.196,561 -0.137,562 0.008,563 -0.263,564 -0.192,565 -0.085,566 -0.166,567 0.247,568 0.07,569 0.274,570 0.074,571 0.131,572 0.055,573 0.166,574 -0.034,575 -0.006,576 -0.162,577 0.095,578 -0.096,579 1.42,580 3.246,581 0.85,582 15.84,583 1.011,584 1.101,585 3.518,586 12.376,587 0.767,588 3.135,589 3.434,590 3.638,591 3.85,592 4.043,593 4.025,594 4.078,595 4.143,596 4.205,597 4.205,598 5.649,599 0.723,600 302.8,601 3.135,602 4.654,603 5.476,604 6.33,605 7.169,606 8.025,607 8.871,608 9.728,609 10.579,610 11.436,611 6.5,618 1,620 1,623 9,624 1,627 1,628 6,630 17,633 1,635 1,637 1,638 31,639 17,640 2,641 22,642 33,643 15,644 15,645 4,646 8,648 3,649 3,650 1,659 15,670 11,671 3,672 2,673 5,674 2,677 2,681 1,682 1,692 1,693 2,710 3,711 1,713 1,715 20,717 1,719 1,726 1,730 1,731 3.2,733 1,737 10,738 5.46,739 4.361,740 1.665,741 3.053,742 1.462,743 0.995,744 3.894,745 9.663,746 3.45,747 4.065,748 4.609,749 5.164,750 5.635,751 5.794,752 6.135,753 6.517,754 6.873,755 7.116,756 0.857,757 26,758 7.312,759 3.069,760 7.772,761 13.861,762 11.196,763 2.272,764 45.444,765 0.001,768 105.94,769 127.437,770 34.796,771 39.149,772 42.683,773 31.278,774 96.159,775 187.772,776 34.796,779 83.459,780 59.469,781 30.711,782 11.771,783 125.447,784 39.149,785 105.94,786 130.956,787 42.683,788 70.426,790 105.94,791 42.683,793 21.268,794 92.902,795 55.934,796 31.278,797 105.94,798 77.48,799 166.586,801 105.94,802 43.978,803 83.459,804 18.011,805 98.618,806 105.94,807 77.48,808 166.586,810 0.58,811 0.321,812 0.163,813 0.093,814 15,815 6,816 0.091,817 3,819 1,820 3.379,821 144.703,823 17,824 78.439,825 1,826 13.401,827 5.812,828 3.312,830 77.48,831 16.464,832 4.53,835 1.53,836 4.598,838 60.694,839 350.005,840 30.5,846 31.349,847 34.146,848 0.358,849 0.658,850 0.792,851 0.896,852 0.896,853 0.896,854 4.647,855 1,856 5.442,857 2.275,858 4.111,859 4.749,860 0.278,861 6.176,862 3.966,863 5.853,864 0.7,865 6.952,866 2.275,867 3.611,868 4.407,870 6.88,871 3.346,872 7.141,873 0.139,874 8.55,875 1.696,876 5.638,877 6.919,878 0.05,879 9.906,880 5.381,881 8.462,882 -0.208,883 10.199,884 0.334,885 5.916,886 7.361,888 11.419,889 5.549,890 9.808,891 -0.575,892 11.88,893 -0.46,894 7.405,895 9.313,896 0.008,897 13.937,898 7.053,899 11.171,900 -1,901 13.584,902 -1.485,903 8.051,904 10.139,906 15.814,907 7.608,908 12.549,909 -1,910 15.305,911 -2.93,912 9.306,913 11.825,914 0.001,915 18.145,916 8.866,917 2.941,918 -1.147,919 17.04,920 -3,921 10.143,922 12.868,924 20.199,925 9.629,926 2.655,927 9.253,928 18.786,929 -3,930 11.289,931 14.411,933 22.457,934 10.764,935 2.42,936 7.64,937 20.542,938 3.982,939 12.229,940 15.581,942 24.596,943 11.643,944 2.192,945 6.507,946 22.306,947 3.63,948 13.325,949 17.045,951 26.827,952 12.716,953 1.922,954 5.984,955 24.077,956 3.411,957 14.321,958 18.292,960 29.008,961 13.657,962 1.267,963 5.441,964 25.855,965 2.833,966 15.395,967 19.712,969 31.23,970 14.7,971 1,972 3.577,973 27.638,974 2.597,975 16.423,976 21.006,978 33.431,979 15.676,980 4043,981 7564,982 14.909,983 23.779,984 32.871,985 32.933,986 33.26,987 32.635,988 32.472,989 44.852,990 0.8,991 89.963,992 29.913,993 5.079,994 5.025,995 5.602,996 4.997,997 4.941,998 6.982,999 0.8,1000 15.541,1001 4.802,1002 8.115,1003 1.494,1004 1.497,1005 1.512,1006 1.483,1007 1.476,1008 2.039,1009 0.036,1010 4.089,1011 1.36,1012 3.993,1013 4.016,1014 4.236,1015 3.955,1016 6.471,1017 3.928,1018 3.882,1019 3.906,1020 3.959,1021 3.813,1022 4.982,1023 3.811,1024 3.654,1025 3.671,1026 3.816,1027 3.65,1028 4.82,1029 3.581,1030 3.063,1031 3.109,1032 3.319,1033 2.886,1034 4.6,1035 2.894,1036 2.854,1037 2.925,1038 2.967,1039 2.747,1040 4.235,1041 2.715,1042 2.854,1043 2.925,1044 2.687,1045 2.735,1046 3.73,1047 2.715,1048 2.8,1049 2.812,1050 2.687,1051 2.735,1052 3.674,1053 2.713,1054 2.509,1055 2.587,1056 2.554,1057 2.236,1058 3.674,1059 2.247,1060 0.196,1061 0.137,1062 0.281,1063 0.177,1064 0.134,1065 4.314,1066 0.181,1067 3.025,1068 0.018,1069 6.188,1070 0.421,1071 3.887,1072 0.127,1073 2.941,1074 3.982,1075 0.4,1076 9.253,1077 2.802,1078 1.902,1079 1.882,1080 1.987,1081 1.988,1082 1.094,1083 1.99,1084 1.876,1085 1.852,1086 1.977,1087 1.96,1088 1.052,1089 1.974,1090 1.314,1091 1.319,1092 1.363,1093 1.481,1094 0.559,1095 1.454,1096 1.263,1097 1.223,1098 1.249,1099 1.352,1100 0.36,1101 1.406,1102 0.886,1103 0.821,1104 1.181,1105 1.062,1106 0.218,1107 1.107,1108 0.886,1109 0.821,1110 1.181,1111 1.062,1112 0.218,1113 1.107,1114 0.814,1115 0.796,1116 0.908,1117 1.028,1118 0.047,1119 1.025,1120 0.616,1121 0.578,1122 0.819,1123 0.779,1125 0.819,1126 3.807,1128 5.106,1129 2.398,1130 6.583,1131 4.595,1132 8.135,1133 6.581,1134 9.725,1136 5.874,1139 9.246,1141 3.203,1148 22.406,1149 54.923,1150 101.051,1151 121.58,1152 137.58,1153 137.58,1154 137.58,1155 23.899,1156 6.611,1157 45.15,1158 73.39,1159 17,1160 11.99,1161 4.17,1162 3.248,1163 30.185,1164 68,1165 64,1166 0.221,1167 146.105,1168 241.67,1169 348.256,1170 5975,1171 3.2,1172 13.949,1173 0.697,1174 0.597,1175 14.803,1176 11.949,1177 9.704,1178 0.441,1179 0.329,1180 6.041,1181 8.749,1182 5.798,1183 4.805,1184 10.446,1185 7.239,1186 8.821,1187 0.294,1188 0.184,1189 9.806,1190 5.511,1191 7.111,1192 0.192,1193 0.102,1194 8.039,1195 3.772,1196 5.549,1197 0.121,1198 0.057,1199 6.46,1200 2.618,1201 4.52,1202 0.081,1203 0.031,1204 5.34,1205 1.759,1206 0.35,1207 67.332,1208 0.259,1209 20.251,1210 0.595,1211 104,1212 303.191,1213 149.181,1214 352.585,1215 472.4,1216 328,1217 119,1218 311.363,1219 153.234,1220 342.532,1221 495.39,1222 322,1223 4.921} {0 CHEMBL1209256,1 1.53,2 13.852,3 2.632,4 6.926,5 100.939,6 6.773,7 0.379,8 4.088,9 4.219,10 3.559,11 3.561,12 5.125,13 3.531,14 4.654,15 4.847,16 3.881,17 3.951,18 5.63,19 3.882,20 4.948,21 5.208,22 3.852,23 4.016,24 5.902,25 3.908,26 4.902,27 5.167,28 3.807,29 3.911,30 5.98,31 3.823,32 4.757,33 5.005,34 3.655,35 3.815,36 5.767,37 3.732,38 4.619,39 4.855,40 3.604,41 3.782,42 5.567,43 3.684,44 4.622,45 4.866,46 3.525,47 3.763,48 5.553,49 3.645,50 4.587,51 4.852,52 3.419,53 3.648,54 5.537,55 3.518,56 0.091,57 0.798,58 12.907,59 5.039,60 12.413,61 7.145,62 0.215,63 1.256,64 23.625,65 8.419,66 28.301,67 12.423,68 0.47,69 1.414,70 33.441,71 10.127,72 57.97,73 15.575,74 0.555,75 1.307,76 32.456,77 8.707,78 82.867,79 13.879,80 0.441,81 1.146,82 27.986,83 7.723,84 60.397,85 11.838,86 0.293,87 1.073,88 23.627,89 7.811,90 36.235,91 11.473,92 0.271,93 1.067,94 23.641,95 7.648,96 34.883,97 11.614,98 0.332,99 0.963,100 23.206,101 7.236,102 45.784,103 11.1,104 16,105 38,106 0.256,107 0.584,108 0.757,109 0.849,110 0.878,111 0.878,112 3.339,113 1.016,114 -5.13,115 -5.02,116 -4.7,117 36.4,118 1,119 7,123 1,124 2,130 4,131 1,132 1,136 1,142 1,144 1,149 1,151 10,152 2,153 4,154 1,156 4,158 9,161 8,163 1,164 2,165 2,167 6,170 12,172 1,173 1,174 2,176 4,179 7,183 2,185 5,188 4,189 2,191 4,193 8,196 3,197 1,199 3,200 7,202 2,203 3,205 2,206 6,208 1,209 1,211 2,213 1,214 5,216 1250,217 18.491,218 18.491,219 18.491,220 18.491,221 18.491,222 17.106,223 16.36,224 11.373,225 18.707,226 14.298,227 14.298,228 14.298,229 14.298,230 14.298,231 12.14,232 19.302,233 5.396,234 14.663,235 4.251,236 2.286,237 1.246,238 0.696,239 0.523,240 0.523,241 4.021,243 1,244 1,245 1,246 787,247 3.606,250 178.622,251 97.245,256 2.598,257 28.637,258 1,259 1,260 1,261 0.83,262 1,263 1,264 1,265 1,266 0.98,267 59,268 374,269 4.312,270 3.774,271 6.403,272 3.966,273 2.993,274 3.979,275 1.956,276 9.696,277 2.907,278 4.107,279 2.98,280 6.186,281 3.889,282 2.923,283 3.491,284 0.465,285 9.24,286 2.824,287 3.864,288 2.781,289 5.425,290 3.487,291 2.517,292 3.176,293 0.132,294 7.187,295 2.439,296 3.525,297 2.601,298 5.272,299 3.232,300 2.256,301 2.795,303 6.689,304 2.195,305 3.136,306 2.335,307 4.776,308 2.859,309 1.862,310 2.185,312 4.993,313 1.845,314 2.855,315 1.801,316 4.24,317 2.784,318 1.785,319 1.905,321 3.876,322 1.78,323 2.705,324 1.617,325 3.778,326 2.395,327 1.414,328 1.739,330 3.433,331 1.385,332 2.5,333 1.493,334 3.667,335 2.135,336 1.159,337 1.5,339 2.586,340 1.129,341 2.272,342 1.212,343 3.414,344 2.049,345 1.133,346 1.254,347 2.302,348 1.032,349 2.169,350 1.181,351 3.382,352 2,353 1,354 1.142,355 2.275,356 1,357 2.145,358 1,359 3.298,360 1.764,361 0.782,362 1.028,363 1.965,364 0.763,365 1.889,366 0.745,367 3.218,368 1.668,369 0.694,370 0.819,371 1.676,372 0.673,373 1.565,374 0.518,375 2.73,376 1.478,377 0.494,378 0.524,379 0.876,380 0.486,381 1.286,382 0.466,383 2.585,384 0.911,385 -0.078,386 -0.097,387 -0.187,388 -0.077,389 0.817,390 -0.045,391 2.271,392 0.734,393 -0.257,394 -0.273,395 -0.462,396 -0.254,397 12.6,398 0.467,399 0.503,400 0.019,401 29.25,402 1.083,403 12,404 0.444,405 17.25,406 0.639,407 24.91,408 0.923,409 31.2,410 0.567,411 20.247,412 0.75,413 5.204,414 0.193,415 7.965,416 0.295,417 0.093,419 0.278,420 0.783,421 1.38,422 0.894,423 1.204,424 0.72,425 1.085,426 0.661,427 1.364,428 0.932,429 1.28,430 0.63,431 1.171,432 0.938,433 1.015,434 0.917,435 0.978,436 0.985,437 0.95,438 1.133,439 0.961,440 0.928,441 0.866,442 1.098,443 0.854,444 1.535,445 0.888,446 1.093,447 0.83,448 1.556,449 0.877,450 1.014,451 0.985,452 0.997,453 1.028,454 0.844,455 1.016,456 0.894,457 1.129,458 1.055,459 1.137,460 0.771,461 1.122,462 0.848,463 1.04,464 0.935,465 1.026,466 0.716,467 1.006,468 4.5,469 0.097,470 2.667,471 1.347,472 1.047,473 0.681,474 0.332,475 0.278,476 0.217,477 0.17,478 10161,479 23216,480 2.057,481 50.9,482 13,483 8,486 3,487 2,489 2,490 1.693,491 1.952,492 3.716,493 0.945,494 1,495 1,497 84.175,498 1.53,499 3.495,500 4.535,501 5.086,502 5.259,503 5.259,504 3.236,505 4.357,506 4.717,507 3.928,508 1378.89,509 8.152,510 19180.7,511 1,512 1,513 317.975,514 1.277,515 4.698,516 0.155,517 0.005,518 0.07,519 0.038,520 0.032,521 0.023,522 0.012,523 0.011,524 0.01,525 0.008,526 0.365,527 0.17,528 1,529 1.585,530 138.644,531 0.028,532 -0.055,533 0.04,534 0.008,535 -0.024,536 0.021,537 0.124,538 -0.19,539 0.009,540 -0.168,541 0.061,542 -0.114,543 0.041,544 -0.038,545 0.067,546 -0.004,547 0.024,548 0.028,549 0.023,551 0.089,552 0.056,553 0.12,554 0.085,555 -0.242,556 0.093,557 -0.064,558 0.112,559 -0.171,560 0.065,561 -0.051,562 0.051,563 -0.024,564 -0.002,565 -0.032,566 -0.01,567 -0.032,568 -0.095,569 -0.095,570 -0.116,571 -0.051,572 -0.115,573 0.072,574 -0.086,575 0.037,576 -0.041,577 0.077,578 -0.017,579 1.969,580 5.176,581 0.593,582 34.626,583 1,584 1.138,585 3.895,586 15.174,587 0.628,588 3.401,589 3.664,590 3.892,591 4.094,592 4.143,593 4.22,594 4.304,595 4.407,596 4.511,597 4.554,598 7.978,599 0.592,600 372.52,601 3.401,602 4.905,603 5.727,604 6.572,605 7.412,606 8.265,607 9.113,608 9.972,609 10.825,610 11.686,611 7.3,613 1,617 1,620 2,623 4,624 2,626 1,628 4,630 11,638 55,639 12,640 1,641 29,642 57,643 20,644 8,645 2,646 4,648 3,649 3,652 1,655 3,657 9,659 9,660 11,662 1,664 1,667 1,668 1,669 1,670 28,671 7,672 3,673 7,677 4,681 1,682 3,684 1,689 1,692 2,693 1,700 1,705 1,708 1,710 3,712 1,715 27,717 1,718 8,719 2,721 2,731 5.5,732 1,734 1,736 1,737 13.833,738 9.683,739 6.167,740 3.771,741 2.084,742 1.291,743 0.917,744 7.247,745 9.237,746 3.597,747 4.073,748 4.555,749 5.062,750 5.409,751 5.691,752 6.055,753 6.408,754 6.696,755 6.851,756 1,757 35,758 10.051,759 4.234,760 7.741,761 19.413,762 15.883,763 2.241,764 60.5,767 1,768 294.278,769 84.573,770 72.404,772 77.562,774 84.573,775 371.84,776 72.404,777 8.825,778 37.858,779 98.599,780 71.252,781 18.004,783 294.278,785 294.278,786 156.976,787 77.562,790 273.063,791 58.421,792 42.683,793 69.714,794 48.552,795 36.382,797 294.278,798 149.966,799 84.573,801 294.278,802 37.842,803 46.73,804 36.022,805 113.945,806 294.278,807 149.966,808 84.573,810 0.562,811 0.322,812 0.168,813 0.077,814 16,815 7,816 0.158,817 9,819 1,820 4.102,821 209.148,823 16,824 124.382,826 19.842,827 9.861,828 5.534,830 149.966,831 7.304,832 8.502,834 5.333,836 2.738,838 78.705,839 528.816,840 35.5,842 12.176,845 -0.224,846 54.992,847 62.604,848 0.265,849 0.605,850 0.784,851 0.88,852 0.91,853 0.91,854 4.81,855 1.159,856 5.673,857 3.433,858 4.344,859 4.758,860 2.068,861 6.418,862 4.291,863 5.951,864 1.133,865 7.189,866 2.586,867 3.761,868 4.369,869 1.593,870 7.195,871 3.672,872 7.214,873 1,874 8.808,875 2.302,876 5.866,877 6.786,878 3.03,879 10.275,880 5.756,881 8.515,882 0.782,883 10.49,884 2.275,885 6.176,886 7.282,887 3.114,888 11.922,889 6.02,890 9.853,891 0.694,892 12.213,893 1.965,894 7.677,895 9.126,896 4.207,897 14.474,898 7.503,899 11.213,900 0.494,901 13.965,902 1.676,903 8.395,904 10.024,905 4.559,906 16.463,907 8.175,908 12.592,909 -0.078,910 15.737,911 0.876,912 9.65,913 11.627,914 5.466,915 18.833,916 9.41,917 2.993,918 -0.257,919 17.524,920 -0.187,921 10.561,922 12.731,923 5.96,924 20.968,925 10.278,926 2.923,927 9.696,928 19.322,929 -0.462,930 11.712,931 14.218,932 6.763,933 23.269,934 11.406,935 2.517,936 9.24,937 21.129,938 3.979,939 12.713,940 15.435,941 7.334,942 25.468,943 12.369,944 2.256,945 7.187,946 22.942,947 3.491,948 13.822,949 16.864,950 8.08,951 27.742,952 13.452,953 1.862,954 6.689,955 24.761,956 3.176,957 14.865,958 18.145,959 8.694,960 29.971,961 14.46,962 1.785,963 4.993,964 26.584,965 2.795,966 15.957,967 19.546,968 9.407,969 32.234,970 15.524,971 1.414,972 3.876,973 28.41,974 2.185,975 17.021,976 20.865,977 10.046,978 34.478,979 16.555,980 9950,981 15304,982 19.474,983 34.523,984 42.384,985 43,986 43.441,987 42.041,988 42.026,989 51.075,990 5.104,991 113.586,992 40.919,993 5.26,994 5.774,995 6.355,996 5.011,997 4.993,998 6.979,999 3.423,1000 16.328,1001 4.907,1002 12.29,1003 1.462,1004 1.483,1005 1.498,1006 1.45,1007 1.449,1008 1.761,1009 0.176,1010 3.917,1011 1.411,1012 4.004,1013 4.038,1014 3.961,1015 3.889,1016 7.428,1017 3.897,1018 3.861,1019 3.909,1020 3.782,1021 3.679,1022 6.449,1023 3.692,1024 3.786,1025 3.841,1026 3.68,1027 3.662,1028 5.287,1029 3.651,1030 3.675,1031 3.728,1032 3.543,1033 3.479,1034 4.71,1035 3.495,1036 3.435,1037 3.511,1038 3.264,1039 3.245,1040 4.282,1041 3.247,1042 3.287,1043 3.331,1044 3.183,1045 3.05,1046 4.203,1047 3.074,1048 3.073,1049 3.165,1050 2.854,1051 2.883,1052 3.97,1053 2.868,1054 2.898,1055 2.97,1056 2.706,1057 2.735,1058 3.921,1059 2.715,1060 0.149,1061 0.13,1062 0.221,1063 0.137,1064 0.103,1065 4.312,1066 0.137,1067 3.774,1068 0.067,1069 6.403,1070 0.334,1071 3.966,1072 0.1,1073 2.993,1074 3.979,1075 1.956,1076 9.696,1077 2.907,1078 1.909,1079 1.882,1080 2.041,1081 2.009,1082 1.384,1083 2.009,1084 1.787,1085 1.727,1086 2.005,1087 1.949,1088 1.167,1089 1.981,1090 1.601,1091 1.564,1092 1.855,1093 1.801,1094 1.136,1095 1.803,1096 1.576,1097 1.513,1098 1.812,1099 1.774,1100 1.095,1101 1.79,1102 1.481,1103 1.408,1104 1.689,1105 1.73,1106 0.923,1107 1.737,1108 1.275,1109 1.204,1110 1.576,1111 1.518,1112 0.795,1113 1.532,1114 1.157,1115 1.108,1116 1.29,1117 1.437,1118 0.449,1119 1.383,1120 0.898,1121 0.821,1122 1.241,1123 1.24,1124 0.33,1125 1.228,1126 4.078,1128 5.352,1129 3.045,1130 6.801,1131 5.283,1132 8.334,1133 7.261,1134 9.914,1135 2.204,1139 9.786,1140 8.053,1141 5.817,1143 -1.189,1148 32.552,1149 84.175,1150 192.226,1151 249.445,1152 279.71,1153 289.22,1154 289.22,1155 58.263,1156 7.153,1157 100.28,1158 100.28,1159 16,1160 12.238,1161 3.7,1162 2.907,1163 47.461,1164 128,1165 152,1166 0.179,1167 202.039,1168 350.21,1169 484.734,1170 12837,1172 19.062,1173 0.706,1174 0.584,1175 19.062,1176 15.779,1177 13.169,1178 0.454,1179 0.339,1180 9.7,1181 12.656,1182 9.533,1183 7.952,1184 13.169,1185 9.824,1186 11.208,1187 0.295,1188 0.185,1189 11.208,1190 7.03,1191 9.22,1192 0.192,1193 0.101,1194 9.22,1195 4.845,1196 7.456,1197 0.126,1198 0.055,1199 7.456,1200 3.233,1201 5.015,1202 0.081,1203 0.03,1204 5.015,1205 1.842,1206 0.293,1207 82.802,1208 0.227,1209 26.907,1210 0.457,1211 134,1212 389.577,1213 149.576,1214 370.288,1215 502.04,1216 346,1217 153,1218 372.411,1219 169.188,1220 368.195,1221 535.73,1222 348,1223 5} {0 CHEMBL1209322,1 1.51,2 14.607,3 2.639,4 6.963,5 105.774,6 6.665,7 0.367,8 4.135,9 4.268,10 3.592,11 3.61,12 5.155,13 3.575,14 4.708,15 4.905,16 3.906,17 4.003,18 5.662,19 3.927,20 4.998,21 5.258,22 3.882,23 4.077,24 5.928,25 3.959,26 4.972,27 5.239,28 3.82,29 3.971,30 6.016,31 3.868,32 4.831,33 5.095,34 3.66,35 3.871,36 5.77,37 3.77,38 4.69,39 4.93,40 3.608,41 3.828,42 5.612,43 3.72,44 4.679,45 4.934,46 3.609,47 3.812,48 5.608,49 3.703,50 4.647,51 4.888,52 3.532,53 3.771,54 5.588,55 3.655,56 0.098,57 0.836,58 13.782,59 5.375,60 12.461,61 7.665,62 0.248,63 1.318,64 25.225,65 8.937,66 28.495,67 13.241,68 0.46,69 1.489,70 34.948,71 10.981,72 56.815,73 16.765,74 0.598,75 1.395,76 34.766,77 9.343,78 86.352,79 14.977,80 0.453,81 1.224,82 30.071,83 8.287,84 56.121,85 12.993,86 0.274,87 1.117,88 25.437,89 8.343,90 38.887,91 12.403,92 0.309,93 1.129,94 25.214,95 8.009,96 39.206,97 12.157,98 0.31,99 1.076,100 24.419,101 7.707,102 37.248,103 11.709,104 16,105 39,106 0.249,107 0.576,108 0.767,109 0.853,110 0.88,111 0.88,112 3.373,113 1.028,114 -5.08,115 -4.98,116 -4.66,117 36.2,118 1,119 7,123 2,124 2,130 4,131 2,136 1,142 1,144 1,149 1,151 12,152 2,153 4,154 1,156 3,158 11,161 8,163 1,164 2,165 2,167 7,170 11,172 1,173 1,174 3,176 4,179 9,183 2,185 5,188 6,191 3,193 7,196 4,197 2,199 4,200 8,203 3,204 1,205 3,206 8,208 2,209 1,213 2,214 7,216 1392,217 19.198,218 19.198,219 19.198,220 19.198,221 19.198,222 17.813,223 16.585,224 11.822,225 19.413,226 14.781,227 14.781,228 14.781,229 14.781,230 14.781,231 12.597,232 18.297,233 5.601,234 15.131,235 4.348,236 2.372,237 1.216,238 0.694,239 0.53,240 0.53,241 4.057,244 1,245 1,246 859,247 3.742,250 189,251 103.068,256 2.75,257 28.706,259 1,260 0.83,261 0.83,262 1,263 1,264 1,265 1,266 0.95,267 61,268 409,269 4.309,270 3.767,271 6.393,272 3.947,273 2.973,274 3.978,275 1.957,276 9.645,277 2.889,278 4.077,279 2.988,280 6.187,281 3.898,282 2.931,283 3.461,284 0.589,285 9.241,286 2.838,287 3.897,288 2.785,289 5.391,290 3.509,291 2.526,292 3.196,293 0.42,294 7.11,295 2.479,296 3.528,297 2.696,298 5.246,299 3.234,300 2.25,301 2.823,303 6.624,304 2.212,305 3.2,306 2.432,307 4.88,308 2.961,309 1.972,310 2.236,312 5.274,313 1.932,314 2.866,315 1.806,316 4.248,317 2.797,318 1.799,319 1.931,321 3.917,322 1.795,323 2.718,324 1.617,325 3.779,326 2.416,327 1.437,328 1.75,330 3.442,331 1.405,332 2.5,333 1.546,334 3.743,335 2.153,336 1.174,337 1.5,339 2.7,340 1.148,341 2.277,342 1.238,343 3.414,344 2.051,345 1.139,346 1.259,347 2.317,348 1.034,349 2.172,350 1.207,351 3.4,352 2,353 1,354 1.147,355 2.275,356 1,357 2.149,358 1.079,359 3.302,360 1.885,361 0.924,362 1.041,363 2.198,364 0.884,365 1.969,366 1,367 3.219,368 1.683,369 0.709,370 0.94,371 1.689,372 0.688,373 1.726,374 0.713,375 2.978,376 1.48,377 0.498,378 0.534,379 0.968,380 0.488,381 1.56,382 0.5,383 2.627,384 1.397,385 0.397,386 0.473,387 0.846,388 0.392,389 0.975,390 0.114,391 2.367,392 0.758,393 -0.231,394 -0.244,395 -0.41,396 -0.229,397 13.1,398 0.468,399 0.503,400 0.018,401 29.25,402 1.045,403 11.5,404 0.411,405 17.75,406 0.634,407 26.689,408 0.953,409 32.5,410 0.56,411 20.425,412 0.729,413 5.265,414 0.188,415 8.404,416 0.3,417 0.089,419 0.267,420 0.781,421 1.386,422 0.912,423 1.218,424 0.72,425 1.103,426 0.69,427 1.307,428 0.961,429 1.248,430 0.644,431 1.161,432 0.899,433 1.054,434 0.921,435 1.026,436 0.977,437 0.989,438 1.188,439 0.993,440 0.983,441 0.893,442 1.22,443 0.898,444 1.415,445 0.834,446 1.064,447 0.803,448 1.288,449 0.857,450 1.126,451 1.086,452 1.009,453 1.051,454 1.032,455 1.025,456 0.934,457 0.94,458 0.968,459 0.972,460 0.849,461 0.969,462 1.071,463 1.118,464 1.103,465 1.114,466 0.825,467 1.114,468 4.5,469 0.12,470 2.889,471 1.222,472 0.967,473 0.702,474 0.371,475 0.262,476 0.211,477 0.172,478 11530,479 26001,480 2.055,481 51.7,482 13,483 10,486 3,487 2,489 2,490 1.702,491 1.953,492 3.793,493 0.917,494 1,495 1,497 87.563,498 1.51,499 3.486,500 4.642,501 5.164,502 5.328,503 5.328,504 3.253,505 4.423,506 4.77,507 4.009,508 1515.48,509 8.254,510 22038.9,511 1,512 1,513 339.763,514 1.255,515 4.752,516 0.15,517 0.006,518 0.074,519 0.034,520 0.029,521 0.024,522 0.013,523 0.009,524 0.008,525 0.008,526 0.357,527 0.17,528 1,529 1.547,530 146.311,531 0.033,532 -0.053,533 0.04,534 0.007,535 -0.02,536 0.02,537 0.109,538 -0.127,539 -0.007,540 -0.137,541 0.049,542 -0.1,543 0.059,544 -0.072,545 0.057,546 -0.035,547 0.025,548 0.001,550 -0.031,551 0.036,552 0.027,553 0.065,554 0.039,555 -0.209,556 0.145,557 -0.043,558 0.125,559 -0.123,560 0.082,561 -0.107,562 -0.083,563 -0.028,564 -0.021,565 -0.059,566 -0.015,567 -0.031,568 0.095,569 0.007,570 0.024,571 -0.035,572 0.023,573 -0.072,574 -0.085,575 -0.12,576 -0.102,577 -0.056,578 -0.117,579 1.943,580 5.099,581 0.571,582 37.837,583 0.998,584 1.138,585 3.85,586 14.825,587 0.626,588 3.434,589 3.689,590 3.912,591 4.094,592 4.143,593 4.205,594 4.277,595 4.357,596 4.477,597 4.511,598 8.418,599 0.588,600 386.55,601 3.434,602 4.934,603 5.753,604 6.592,605 7.427,606 8.274,607 9.118,608 9.969,609 10.818,610 11.672,611 6.9,613 1,617 1,620 2,623 4,624 2,626 1,628 4,630 11,638 58,639 12,640 1,641 30,642 60,643 21,644 8,645 2,646 4,648 3,649 3,652 1,655 3,657 9,659 9,660 12,662 1,664 1,667 1,669 1,670 30,671 7,672 3,673 7,677 4,681 1,682 3,684 1,689 1,692 2,693 1,700 1,705 1,708 1,710 3,712 1,715 28,717 1,718 9,719 2,721 2,731 5.2,732 1,734 1,736 1,737 14.333,738 10.183,739 6.417,740 3.958,741 2.077,742 1.288,743 0.916,744 7.869,745 9.284,746 3.624,747 4.09,748 4.566,749 5.043,750 5.391,751 5.66,752 5.99,753 6.314,754 6.657,755 6.737,756 0.9,757 36,758 10.429,759 4.37,760 7.714,761 20.229,762 16.542,763 2.214,764 62,767 1,768 317.82,769 87.107,770 72.404,772 77.562,774 87.107,775 395.382,776 72.404,777 8.825,778 39.964,779 98.599,780 71.252,781 18.433,783 317.82,785 317.82,786 159.511,787 77.562,790 296.605,791 58.421,792 42.683,793 71.82,794 48.981,795 36.382,797 317.82,798 149.966,799 87.107,801 317.82,802 40.377,803 46.73,804 36.022,805 113.945,806 317.82,807 149.966,808 87.107,810 0.561,811 0.321,812 0.164,813 0.076,814 16,815 7,816 0.167,817 10,819 1,820 4.227,821 216.94,823 16,824 130.606,826 20.816,827 10.585,828 6.043,830 149.966,831 7.74,832 8.553,834 5.353,836 3.149,838 78.705,839 554.893,840 36.5,842 12.099,845 -0.171,846 57.876,847 66.019,848 0.258,849 0.595,850 0.792,851 0.881,852 0.909,853 0.909,854 4.834,855 1.174,856 5.694,857 3.442,858 4.369,859 4.775,860 2.135,861 6.428,862 4.321,863 5.969,864 1.139,865 7.204,866 2.7,867 3.761,868 4.369,869 1.593,870 7.195,871 3.687,872 7.228,873 1,874 8.818,875 2.317,876 5.883,877 6.792,878 3.045,879 10.264,880 5.784,881 8.526,882 0.924,883 10.495,884 2.275,885 6.176,886 7.282,887 3.114,888 11.912,889 6.041,890 9.86,891 0.709,892 12.215,893 2.198,894 7.684,895 9.126,896 4.214,897 14.452,898 7.527,899 11.218,900 0.498,901 13.963,902 1.689,903 8.389,904 10.019,905 4.563,906 16.443,907 8.192,908 12.593,909 0.397,910 15.733,911 0.968,912 9.646,913 11.621,914 5.473,915 18.804,916 9.428,917 2.973,918 -0.231,919 17.517,920 0.846,921 10.547,922 12.721,923 5.966,924 20.94,925 10.289,926 2.931,927 9.645,928 19.313,929 -0.41,930 11.698,931 14.208,932 6.771,933 23.233,934 11.416,935 2.526,936 9.241,937 21.118,938 3.978,939 12.692,940 15.422,941 7.343,942 25.432,943 12.372,944 2.25,945 7.11,946 22.93,947 3.461,948 13.799,949 16.851,950 8.089,951 27.7,952 13.453,953 1.972,954 6.624,955 24.747,956 3.196,957 14.837,958 18.131,959 8.704,960 29.927,961 14.456,962 1.799,963 5.274,964 26.568,965 2.823,966 15.926,967 19.532,968 9.418,969 32.185,970 15.517,971 1.437,972 3.917,973 28.394,974 2.236,975 16.986,976 20.85,977 10.058,978 34.425,979 16.543,980 11271,981 17173,982 20.167,983 36.285,984 43.83,985 44.308,986 44.813,987 43.475,988 43.454,989 52.535,990 5.931,991 116.49,992 42.37,993 5.269,994 5.767,995 6.346,996 4.987,997 4.973,998 6.978,999 3.426,1000 16.16,1001 4.889,1002 12.692,1003 1.461,1004 1.477,1005 1.494,1006 1.449,1007 1.448,1008 1.751,1009 0.198,1010 3.883,1011 1.412,1012 4.006,1013 4.039,1014 3.96,1015 3.904,1016 7.428,1017 3.908,1018 3.868,1019 3.917,1020 3.784,1021 3.688,1022 6.449,1023 3.701,1024 3.796,1025 3.848,1026 3.699,1027 3.665,1028 5.287,1029 3.657,1030 3.685,1031 3.739,1032 3.547,1033 3.49,1034 4.694,1035 3.506,1036 3.454,1037 3.529,1038 3.308,1039 3.275,1040 4.29,1041 3.271,1042 3.371,1043 3.433,1044 3.224,1045 3.129,1046 4.203,1047 3.149,1048 3.095,1049 3.18,1050 2.92,1051 2.924,1052 4.017,1053 2.914,1054 2.977,1055 3.044,1056 2.775,1057 2.764,1058 3.967,1059 2.759,1060 0.144,1061 0.126,1062 0.213,1063 0.132,1064 0.099,1065 4.309,1066 0.133,1067 3.767,1068 0.065,1069 6.393,1070 0.321,1071 3.947,1072 0.096,1073 2.973,1074 3.978,1075 1.957,1076 9.645,1077 2.889,1078 1.928,1079 1.901,1080 2.042,1081 2.017,1082 1.384,1083 2.024,1084 1.787,1085 1.727,1086 2.032,1087 1.949,1088 1.185,1089 1.982,1090 1.617,1091 1.579,1092 1.855,1093 1.832,1094 1.154,1095 1.815,1096 1.578,1097 1.514,1098 1.815,1099 1.775,1100 1.133,1101 1.8,1102 1.495,1103 1.421,1104 1.714,1105 1.735,1106 0.933,1107 1.749,1108 1.31,1109 1.247,1110 1.577,1111 1.535,1112 0.797,1113 1.54,1114 1.246,1115 1.179,1116 1.498,1117 1.518,1118 0.697,1119 1.513,1120 0.978,1121 0.908,1122 1.262,1123 1.314,1124 0.445,1125 1.248,1126 4.111,1128 5.38,1129 3.045,1130 6.823,1131 5.283,1132 8.349,1133 7.261,1134 9.921,1135 2.209,1139 9.767,1140 8.553,1141 5.872,1143 -1.125,1148 34.078,1149 87.563,1150 202.211,1151 269.234,1152 299.498,1153 309.008,1154 309.008,1155 61.801,1156 7.208,1157 100.28,1158 100.28,1159 16,1160 12.228,1161 3.7,1162 2.907,1163 50.218,1164 141,1165 162,1166 0.171,1167 211.631,1168 367.51,1169 508.14,1170 14194,1172 19.769,1173 0.706,1174 0.589,1175 19.769,1176 16.486,1177 13.669,1178 0.456,1179 0.343,1180 10.154,1181 13.153,1182 9.969,1183 8.313,1184 13.669,1185 10.281,1186 11.55,1187 0.296,1188 0.189,1189 11.55,1190 7.378,1191 9.545,1192 0.195,1193 0.104,1194 9.545,1195 5.113,1196 7.521,1197 0.127,1198 0.057,1199 7.521,1200 3.381,1201 5.134,1202 0.083,1203 0.032,1204 5.134,1205 1.969,1206 0.283,1207 85.848,1208 0.223,1209 27.884,1210 0.433,1211 138,1212 393.577,1213 153.243,1214 374.149,1215 506.04,1216 350,1217 157,1218 371.848,1219 173.022,1220 368.459,1221 535.51,1222 348,1223 7.167} {0 CHEMBL1209323,1 1.51,2 14.607,3 3.088,4 9.536,5 105.54,6 6.665,7 0.367,8 4.135,9 4.268,10 3.592,11 3.61,12 5.156,13 3.575,14 4.707,15 4.902,16 3.909,17 4.001,18 5.663,19 3.925,20 5.006,21 5.27,22 3.881,23 4.071,24 5.935,25 3.954,26 4.962,27 5.232,28 3.837,29 3.972,30 6.01,31 3.872,32 4.826,33 5.08,34 3.69,35 3.881,36 5.805,37 3.786,38 4.698,39 4.942,40 3.64,41 3.85,42 5.612,43 3.741,44 4.701,45 4.952,46 3.564,47 3.833,48 5.599,49 3.704,50 4.668,51 4.939,52 3.463,53 3.726,54 5.579,55 3.585,56 0.098,57 0.836,58 13.782,59 5.375,60 12.456,61 7.665,62 0.23,63 1.318,64 25.142,65 8.98,66 28.147,67 13.298,68 0.484,69 1.491,70 35.339,71 10.826,72 58.011,73 16.684,74 0.567,75 1.384,76 34.33,77 9.4,78 83.162,79 14.989,80 0.448,81 1.222,82 29.899,83 8.434,84 60.525,85 12.983,86 0.307,87 1.15,88 25.608,89 8.539,90 37.217,91 12.619,92 0.286,93 1.143,94 25.61,95 8.37,96 35.927,97 12.751,98 0.346,99 1.04,100 25.085,101 7.948,102 46.157,103 12.203,104 17,105 39,106 0.249,107 0.564,108 0.734,109 0.829,110 0.868,111 0.88,112 3.373,113 1.032,114 -5.35,115 -5.23,116 -4.89,117 36.2,118 1,119 8,123 1,124 2,130 4,131 1,132 1,136 1,142 1,144 1,149 1,151 11,152 2,153 4,154 1,156 4,158 10,161 8,163 1,164 2,165 2,167 7,170 12,172 1,173 1,174 2,176 5,179 7,183 2,185 6,188 4,189 2,191 4,193 9,196 3,197 1,199 3,200 8,202 2,203 3,205 2,206 6,208 1,209 3,211 2,213 1,214 5,216 1428,217 19.198,218 19.198,219 19.198,220 19.198,221 19.198,222 17.813,223 16.36,224 11.873,225 19.414,226 14.798,227 14.798,228 14.798,229 14.798,230 14.798,231 12.64,232 19.302,233 5.646,234 15.163,235 4.348,236 2.443,237 1.415,238 0.841,239 0.599,240 0.53,241 4.057,244 1,245 1,246 860,247 3.742,250 187.331,251 102.132,256 2.75,257 28.841,259 1,260 0.83,261 0.83,262 1,263 1,264 1,265 1,266 0.95,267 61,268 409,269 4.312,270 3.774,271 6.403,272 3.966,273 2.993,274 3.979,275 1.956,276 9.696,277 2.907,278 4.107,279 2.98,280 6.186,281 3.889,282 2.923,283 3.491,284 0.465,285 9.24,286 2.824,287 3.864,288 2.781,289 5.425,290 3.487,291 2.517,292 3.176,293 0.132,294 7.187,295 2.439,296 3.525,297 2.601,298 5.272,299 3.232,300 2.256,301 2.795,303 6.689,304 2.195,305 3.136,306 2.335,307 4.776,308 2.869,309 1.872,310 2.185,312 4.993,313 1.859,314 2.878,315 1.845,316 4.24,317 2.82,318 1.82,319 1.915,321 3.887,322 1.812,323 2.737,324 1.617,325 3.829,326 2.476,327 1.486,328 1.783,330 3.554,331 1.471,332 2.5,333 1.536,334 3.668,335 2.231,336 1.259,337 1.5,339 2.658,340 1.221,341 2.406,342 1.315,343 3.414,344 2.05,345 1.137,346 1.401,347 2.572,348 1.033,349 2.185,350 1.211,351 3.407,352 2,353 1,354 1.142,355 2.275,356 1,357 2.145,358 1,359 3.377,360 1.809,361 0.82,362 1.043,363 1.976,364 0.809,365 1.89,366 0.82,367 3.267,368 1.739,369 0.751,370 0.821,371 1.707,372 0.737,373 1.826,374 0.688,375 2.859,376 1.635,377 0.671,378 0.793,379 1.384,380 0.645,381 1.296,382 0.489,383 2.685,384 1.112,385 0.122,386 0.127,387 0.214,388 0.12,389 1.157,390 0.149,391 2.336,392 0.896,393 -0.094,394 -0.118,395 -0.228,396 -0.092,397 13.1,398 0.468,399 0.503,400 0.018,401 29.75,402 1.063,403 12,404 0.429,405 17.75,406 0.634,407 26.69,408 0.953,409 32.5,410 0.56,411 20.51,412 0.732,413 5.204,414 0.186,415 8.465,416 0.302,417 0.089,419 0.267,420 0.781,421 1.386,422 0.912,423 1.218,424 0.717,425 1.103,426 0.658,427 1.37,428 0.949,429 1.291,430 0.626,431 1.185,432 0.924,433 1.013,434 0.913,435 0.979,436 0.969,437 0.951,438 1.111,439 0.961,440 0.923,441 0.874,442 1.077,443 0.861,444 1.489,445 0.892,446 1.075,447 0.842,448 1.509,449 0.884,450 0.976,451 0.981,452 0.984,453 1.025,454 0.813,455 1.012,456 0.862,457 1.115,458 1.037,459 1.125,460 0.744,461 1.109,462 0.817,463 1.032,464 0.926,465 1.023,466 0.705,467 1.002,468 4.5,469 0.117,470 2.667,471 1.347,472 1.047,473 0.681,474 0.332,475 0.278,476 0.217,477 0.17,478 11446,479 25327,480 2.055,481 51.7,482 15,483 8,486 3,487 2,489 2,490 1.702,491 1.953,492 3.787,493 0.917,494 1,495 1,497 87.563,498 1.51,499 3.415,500 4.443,501 5.017,502 5.259,503 5.328,504 3.288,505 4.664,506 4.768,507 4.007,508 1514.46,509 8.253,510 21953.4,511 1,512 1,513 339.763,514 1.255,515 4.752,516 0.15,517 0.005,518 0.068,519 0.037,520 0.031,521 0.023,522 0.011,523 0.011,524 0.009,525 0.007,526 0.354,527 0.17,528 1,529 1.719,530 146.179,531 0.033,532 -0.053,533 0.04,534 0.007,535 -0.017,536 0.02,537 0.127,538 -0.193,539 0.002,540 -0.173,541 0.065,542 -0.12,543 0.05,544 -0.036,545 0.071,546 -0.003,547 0.032,548 0.029,549 0.034,551 0.091,552 0.052,553 0.13,554 0.082,555 -0.217,556 0.086,557 -0.049,558 0.104,559 -0.149,560 0.064,561 -0.035,562 0.047,563 -0.01,564 0.001,565 -0.018,566 -0.003,567 -0.019,568 -0.088,569 -0.076,570 -0.103,571 -0.037,572 -0.099,573 0.08,574 -0.08,575 0.042,576 -0.036,577 0.069,578 -0.012,579 1.969,580 5.193,581 0.571,582 38.286,583 0.998,584 1.138,585 4.118,586 16.961,587 0.626,588 3.434,589 3.689,590 3.912,591 4.111,592 4.159,593 4.234,594 4.317,595 4.419,596 4.533,597 4.575,598 8.395,599 0.588,600 386.55,601 3.434,602 4.934,603 5.753,604 6.594,605 7.431,606 8.282,607 9.127,608 9.984,609 10.835,610 11.695,611 6.9,613 1,617 1,620 2,623 4,624 2,626 1,628 4,630 11,638 58,639 12,640 1,641 30,642 60,643 21,644 8,645 2,646 4,648 3,649 3,652 1,655 3,657 10,659 9,660 12,662 1,664 1,667 1,669 1,670 30,671 7,672 3,673 7,677 4,681 1,682 3,684 1,689 1,692 2,693 1,700 1,705 1,708 1,710 3,712 1,715 28,717 1,718 9,719 2,721 2,731 5.2,732 1,734 1,736 1,737 14.333,738 10.183,739 6.417,740 4.021,741 2.09,742 1.289,743 0.916,744 7.869,745 9.315,746 3.624,747 4.09,748 4.566,749 5.069,750 5.414,751 5.695,752 6.057,753 6.409,754 6.7,755 6.856,756 0.9,757 36,758 10.43,759 4.377,760 7.714,761 20.229,762 16.55,763 2.214,764 62,767 1,768 317.82,769 87.107,770 72.404,772 77.562,774 87.107,775 395.382,776 72.404,777 8.825,778 40.393,779 98.599,780 71.252,781 18.004,783 317.82,785 317.82,786 159.511,787 77.562,790 296.605,791 58.421,792 42.683,793 72.249,794 48.552,795 36.382,797 317.82,798 149.966,799 87.107,801 317.82,802 40.377,803 46.73,804 36.022,805 113.945,806 317.82,807 149.966,808 87.107,810 0.56,811 0.319,812 0.166,813 0.077,814 16,815 7,816 0.167,817 10,819 1,820 4.221,821 217.655,823 16,824 128.606,826 20.816,827 10.585,828 6.043,830 149.966,831 7.317,832 8.532,834 5.354,836 2.747,838 78.705,839 554.893,840 36.5,842 12.193,845 -0.224,846 57.876,847 66.019,848 0.258,849 0.583,850 0.758,851 0.857,852 0.898,853 0.909,854 4.834,855 1.259,856 5.694,857 3.554,858 4.369,859 4.775,860 2.068,861 6.431,862 4.318,863 5.969,864 1.137,865 7.204,866 2.658,867 3.761,868 4.369,869 1.593,870 7.195,871 3.672,872 7.228,873 1,874 8.818,875 2.572,876 5.883,877 6.792,878 3.03,879 10.278,880 5.774,881 8.526,882 0.82,883 10.497,884 2.275,885 6.176,886 7.282,887 3.114,888 11.922,889 6.02,890 9.86,891 0.751,892 12.218,893 1.976,894 7.687,895 9.128,896 4.207,897 14.475,898 7.514,899 11.219,900 0.671,901 13.968,902 1.707,903 8.395,904 10.024,905 4.559,906 16.463,907 8.175,908 12.595,909 0.122,910 15.739,911 1.384,912 9.655,913 11.628,914 5.466,915 18.833,916 9.416,917 2.993,918 -0.094,919 17.525,920 0.214,921 10.561,922 12.731,923 5.96,924 20.968,925 10.278,926 2.923,927 9.696,928 19.323,929 -0.228,930 11.714,931 14.218,932 6.763,933 23.269,934 11.409,935 2.517,936 9.24,937 21.129,938 3.979,939 12.713,940 15.435,941 7.334,942 25.468,943 12.369,944 2.256,945 7.187,946 22.942,947 3.491,948 13.823,949 16.864,950 8.08,951 27.742,952 13.453,953 1.872,954 6.689,955 24.761,956 3.176,957 14.865,958 18.145,959 8.694,960 29.971,961 14.46,962 1.82,963 4.993,964 26.584,965 2.795,966 15.958,967 19.546,968 9.407,969 32.234,970 15.525,971 1.486,972 3.887,973 28.41,974 2.185,975 17.021,976 20.865,977 10.046,978 34.478,979 16.555,980 11213,981 16996,982 20.167,983 36.285,984 43.545,985 44.176,986 44.819,987 43.285,988 43.254,989 52.302,990 5.104,991 116.061,992 42.147,993 5.26,994 5.774,995 6.366,996 5.011,997 4.993,998 6.979,999 3.423,1000 16.328,1001 4.907,1002 12.664,1003 1.451,1004 1.473,1005 1.494,1006 1.443,1007 1.442,1008 1.743,1009 0.17,1010 3.869,1011 1.405,1012 4.005,1013 4.038,1014 3.961,1015 3.889,1016 7.428,1017 3.897,1018 3.861,1019 3.909,1020 3.782,1021 3.68,1022 6.449,1023 3.692,1024 3.794,1025 3.851,1026 3.681,1027 3.675,1028 5.287,1029 3.661,1030 3.696,1031 3.747,1032 3.568,1033 3.511,1034 4.71,1035 3.522,1036 3.496,1037 3.568,1038 3.322,1039 3.306,1040 4.282,1041 3.31,1042 3.299,1043 3.35,1044 3.202,1045 3.082,1046 4.213,1047 3.095,1048 3.18,1049 3.261,1050 2.968,1051 2.97,1052 4.018,1053 2.969,1054 2.903,1055 2.978,1056 2.718,1057 2.735,1058 3.921,1059 2.715,1060 0.144,1061 0.126,1062 0.213,1063 0.132,1064 0.1,1065 4.312,1066 0.133,1067 3.774,1068 0.065,1069 6.403,1070 0.323,1071 3.966,1072 0.097,1073 2.993,1074 3.979,1075 1.956,1076 9.696,1077 2.907,1078 1.909,1079 1.882,1080 2.051,1081 2.009,1082 1.401,1083 2.01,1084 1.8,1085 1.739,1086 2.005,1087 1.959,1088 1.196,1089 1.992,1090 1.626,1091 1.568,1092 1.897,1093 1.815,1094 1.167,1095 1.842,1096 1.598,1097 1.556,1098 1.812,1099 1.798,1100 1.097,1101 1.791,1102 1.481,1103 1.408,1104 1.69,1105 1.73,1106 0.923,1107 1.737,1108 1.361,1109 1.291,1110 1.66,1111 1.591,1112 0.903,1113 1.611,1114 1.17,1115 1.118,1116 1.384,1117 1.437,1118 0.587,1119 1.386,1120 1.027,1121 0.952,1122 1.269,1123 1.328,1124 0.341,1125 1.336,1126 4.111,1128 5.38,1129 3.045,1130 6.823,1131 5.283,1132 8.351,1133 7.261,1134 9.927,1135 2.22,1139 9.798,1140 9.429,1141 5.824,1143 -1.19,1148 34.078,1149 87.563,1150 198.069,1151 257.705,1152 291.008,1153 305.008,1154 309.008,1155 62.022,1156 7.225,1157 100.28,1158 100.28,1159 16,1160 12.247,1161 3.7,1162 2.907,1163 50.228,1164 139,1165 168,1166 0.173,1167 211.631,1168 367.51,1169 508.14,1170 14346,1172 19.769,1173 0.706,1174 0.589,1175 19.769,1176 16.486,1177 13.669,1178 0.456,1179 0.344,1180 10.2,1181 13.156,1182 10.023,1183 8.369,1184 13.669,1185 10.324,1186 11.561,1187 0.296,1188 0.189,1189 11.561,1190 7.384,1191 9.47,1192 0.193,1193 0.104,1194 9.47,1195 5.095,1196 7.633,1197 0.127,1198 0.057,1199 7.633,1200 3.41,1201 5.14,1202 0.082,1203 0.031,1204 5.14,1205 1.967,1206 0.285,1207 85.802,1208 0.223,1209 27.869,1210 0.437,1211 138,1212 393.577,1213 153.576,1214 374.449,1215 507.8,1216 350,1217 157,1218 376.411,1219 173.188,1220 372.357,1221 541.49,1222 352,1223 5} {0 CHEMBL1209324,1 1.49,2 15.345,3 3.095,4 9.578,5 110.375,6 6.567,7 0.355,8 4.18,9 4.315,10 3.623,11 3.656,12 5.185,13 3.617,14 4.758,15 4.958,16 3.932,17 4.05,18 5.694,19 3.968,20 5.053,21 5.317,22 3.909,23 4.128,24 5.96,25 4.003,26 5.028,27 5.3,28 3.85,29 4.028,30 6.045,31 3.916,32 4.895,33 5.164,34 3.695,35 3.933,36 5.808,37 3.822,38 4.763,39 5.011,40 3.645,41 3.893,42 5.656,43 3.775,44 4.754,45 5.015,46 3.646,47 3.878,48 5.652,49 3.759,50 4.723,51 4.972,52 3.571,53 3.84,54 5.628,55 3.713,56 0.105,57 0.874,58 14.647,59 5.72,60 12.437,61 8.181,62 0.261,63 1.381,64 26.712,65 9.511,66 28.274,67 14.11,68 0.474,69 1.565,70 36.823,71 11.694,72 56.611,73 17.862,74 0.608,75 1.472,76 36.603,77 10.053,78 86.168,79 16.075,80 0.46,81 1.301,82 31.916,83 9.01,84 56.045,85 14.114,86 0.286,87 1.193,88 27.356,89 9.069,90 39.342,91 13.528,92 0.322,93 1.206,94 27.129,95 8.74,96 39.892,97 13.281,98 0.324,99 1.153,100 26.354,101 8.437,102 37.538,103 12.837,104 17,105 40,106 0.244,107 0.557,108 0.744,109 0.833,110 0.871,111 0.881,112 3.407,113 1.043,114 -5.3,115 -5.19,116 -4.85,117 36.1,118 1,119 8,123 2,124 2,130 4,131 2,136 1,142 1,144 1,149 1,151 13,152 2,153 4,154 1,156 3,158 12,161 8,163 1,164 2,165 2,167 8,170 11,172 1,173 1,174 3,176 5,179 9,183 2,185 6,188 6,191 3,193 8,196 4,197 2,199 4,200 9,203 3,204 1,205 3,206 8,208 2,209 3,213 2,214 7,216 1594,217 19.905,218 19.905,219 19.905,220 19.905,221 19.905,222 18.52,223 16.585,224 12.322,225 20.12,226 15.281,227 15.281,228 15.281,229 15.281,230 15.281,231 13.097,232 18.297,233 5.851,234 15.631,235 4.44,236 2.52,237 1.378,238 0.832,239 0.603,240 0.537,241 4.091,244 1,245 1,246 933,247 3.873,250 197.736,251 107.954,256 2.908,257 28.901,259 1,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.86,267 63,268 445,269 4.309,270 3.767,271 6.393,272 3.947,273 2.973,274 3.978,275 1.957,276 9.645,277 2.889,278 4.077,279 2.988,280 6.187,281 3.898,282 2.931,283 3.461,284 0.589,285 9.241,286 2.838,287 3.897,288 2.785,289 5.391,290 3.509,291 2.526,292 3.196,293 0.42,294 7.11,295 2.479,296 3.528,297 2.696,298 5.246,299 3.234,300 2.25,301 2.823,303 6.624,304 2.212,305 3.2,306 2.432,307 4.88,308 2.961,309 1.972,310 2.236,312 5.274,313 1.933,314 2.886,315 1.847,316 4.248,317 2.841,318 1.842,319 1.937,321 3.925,322 1.839,323 2.752,324 1.618,325 3.829,326 2.49,327 1.501,328 1.796,330 3.564,331 1.483,332 2.5,333 1.578,334 3.745,335 2.255,336 1.28,337 1.5,339 2.715,340 1.245,341 2.409,342 1.354,343 3.414,344 2.052,345 1.143,346 1.404,347 2.633,348 1.034,349 2.19,350 1.214,351 3.41,352 2,353 1,354 1.148,355 2.275,356 1,357 2.149,358 1.11,359 3.394,360 1.897,361 0.933,362 1.058,363 2.215,364 0.897,365 1.97,366 1,367 3.267,368 1.784,369 0.793,370 0.94,371 1.726,372 0.785,373 1.827,374 0.793,375 2.987,376 1.641,377 0.676,378 0.795,379 1.385,380 0.65,381 1.722,382 0.678,383 2.835,384 1.402,385 0.402,386 0.484,387 0.94,388 0.397,389 1.172,390 0.173,391 2.418,392 1.105,393 0.115,394 0.12,395 0.2,396 0.114,397 13.6,398 0.469,399 0.503,400 0.017,401 29.75,402 1.026,403 11.5,404 0.397,405 18.25,406 0.629,407 28.492,408 0.982,409 33.8,410 0.554,411 20.683,412 0.713,413 5.265,414 0.182,415 8.904,416 0.307,417 0.086,419 0.257,420 0.78,421 1.391,422 0.929,423 1.23,424 0.718,425 1.119,426 0.687,427 1.315,428 0.977,429 1.26,430 0.64,431 1.175,432 0.887,433 1.05,434 0.918,435 1.024,436 0.962,437 0.987,438 1.168,439 0.992,440 0.976,441 0.899,442 1.199,443 0.901,444 1.378,445 0.841,446 1.05,447 0.816,448 1.255,449 0.865,450 1.088,451 1.076,452 0.996,453 1.047,454 0.997,455 1.02,456 0.903,457 0.94,458 0.958,459 0.973,460 0.821,461 0.969,462 1.031,463 1.104,464 1.082,465 1.104,466 0.812,467 1.102,468 4.5,469 0.14,470 2.889,471 1.222,472 0.967,473 0.702,474 0.371,475 0.262,476 0.211,477 0.172,478 12911,479 28236,480 2.053,481 52.5,482 15,483 10,486 3,487 2,489 2,490 1.711,491 1.955,492 3.859,493 0.891,495 1,497 90.913,498 1.49,499 3.41,500 4.553,501 5.099,502 5.328,503 5.394,504 3.375,505 4.487,506 4.82,507 4.082,508 1657.39,509 8.353,510 25066.9,511 1,513 361.775,514 1.233,515 4.804,516 0.145,517 0.006,518 0.072,519 0.033,520 0.028,521 0.023,522 0.013,523 0.009,524 0.008,525 0.007,526 0.346,527 0.17,528 0.88,529 1.679,530 153.889,531 0.038,532 -0.051,533 0.04,534 0.006,535 -0.014,536 0.019,537 0.112,538 -0.133,539 -0.013,540 -0.143,541 0.053,542 -0.107,543 0.065,544 -0.069,545 0.06,546 -0.032,547 0.033,548 0.004,549 0.011,550 -0.029,551 0.041,552 0.025,553 0.075,554 0.038,555 -0.19,556 0.136,557 -0.033,558 0.117,559 -0.107,560 0.079,561 -0.091,562 -0.077,563 -0.016,564 -0.017,565 -0.045,566 -0.009,567 -0.018,568 0.088,569 0.016,570 0.024,571 -0.023,572 0.026,573 -0.056,574 -0.079,575 -0.101,576 -0.092,577 -0.057,578 -0.102,579 1.943,580 5.114,581 0.552,582 41.755,583 0.996,584 1.138,585 4.069,586 16.558,587 0.624,588 3.466,589 3.714,590 3.932,591 4.111,592 4.159,593 4.22,594 4.29,595 4.369,596 4.5,597 4.533,598 8.827,599 0.584,600 400.58,601 3.466,602 4.963,603 5.778,604 6.613,605 7.446,606 8.29,607 9.132,608 9.981,609 10.828,610 11.681,611 6.6,613 1,617 1,620 2,623 4,624 2,626 1,628 4,630 11,638 61,639 12,640 1,641 31,642 63,643 22,644 8,645 2,646 4,648 3,649 3,652 1,655 3,657 10,659 9,660 13,662 1,664 1,667 1,669 1,670 32,671 7,672 3,673 7,677 4,681 1,682 3,684 1,689 1,692 2,693 1,700 1,705 1,708 1,710 3,712 1,715 29,717 1,718 10,719 2,721 2,731 4.9,732 1,734 1,736 1,737 14.833,738 10.683,739 6.667,740 4.208,741 2.083,742 1.286,743 0.915,744 8.507,745 9.362,746 3.651,747 4.107,748 4.576,749 5.049,750 5.396,751 5.664,752 5.993,753 6.316,754 6.661,755 6.742,756 1,757 37,758 10.808,759 4.513,760 7.69,761 21.046,762 17.209,763 2.19,764 63.5,767 1,768 341.362,769 89.642,770 72.404,772 77.562,774 89.642,775 418.924,776 72.404,777 8.825,778 42.498,779 98.599,780 71.252,781 18.433,783 341.362,785 341.362,786 162.045,787 77.562,790 320.148,791 58.421,792 42.683,793 74.354,794 48.981,795 36.382,797 341.362,798 149.966,799 89.642,801 341.362,802 42.911,803 46.73,804 36.022,805 113.945,806 341.362,807 149.966,808 89.642,810 0.559,811 0.318,812 0.163,813 0.076,814 16,815 7,816 0.175,817 11,819 1,820 4.345,821 225.522,823 16,824 136.881,826 21.792,827 11.321,828 6.547,830 149.966,831 7.753,832 8.583,834 5.374,836 3.158,838 78.705,839 580.97,840 37.5,842 12.114,845 -0.17,846 60.76,847 69.434,848 0.251,849 0.575,850 0.768,851 0.86,852 0.898,853 0.909,854 4.858,855 1.28,856 5.714,857 3.564,858 4.394,859 4.792,860 2.135,861 6.441,862 4.347,863 5.987,864 1.143,865 7.219,866 2.715,867 3.761,868 4.369,869 1.593,870 7.195,871 3.687,872 7.242,873 1,874 8.828,875 2.633,876 5.9,877 6.799,878 3.045,879 10.268,880 5.802,881 8.536,882 0.933,883 10.502,884 2.275,885 6.176,886 7.282,887 3.114,888 11.912,889 6.041,890 9.867,891 0.793,892 12.219,893 2.215,894 7.693,895 9.128,896 4.214,897 14.453,898 7.538,899 11.223,900 0.676,901 13.966,902 1.726,903 8.389,904 10.019,905 4.563,906 16.443,907 8.192,908 12.597,909 0.402,910 15.735,911 1.385,912 9.651,913 11.622,914 5.473,915 18.804,916 9.433,917 2.973,918 0.115,919 17.519,920 0.94,921 10.547,922 12.721,923 5.966,924 20.94,925 10.289,926 2.931,927 9.645,928 19.314,929 0.2,930 11.7,931 14.208,932 6.771,933 23.233,934 11.419,935 2.526,936 9.241,937 21.119,938 3.978,939 12.692,940 15.422,941 7.343,942 25.432,943 12.372,944 2.25,945 7.11,946 22.93,947 3.461,948 13.8,949 16.852,950 8.089,951 27.7,952 13.454,953 1.972,954 6.624,955 24.747,956 3.196,957 14.837,958 18.131,959 8.704,960 29.927,961 14.456,962 1.842,963 5.274,964 26.569,965 2.823,966 15.927,967 19.532,968 9.418,969 32.185,970 15.517,971 1.501,972 3.925,973 28.394,974 2.236,975 16.986,976 20.85,977 10.058,978 34.425,979 16.543,980 12630,981 18975,982 20.86,983 38.046,984 44.961,985 45.485,986 46.197,987 44.708,988 44.672,989 53.751,990 5.931,991 118.945,992 43.589,993 5.269,994 5.767,995 6.357,996 4.987,997 4.973,998 6.978,999 3.426,1000 16.16,1001 4.889,1002 13.061,1003 1.45,1004 1.467,1005 1.49,1006 1.442,1007 1.441,1008 1.734,1009 0.191,1010 3.837,1011 1.406,1012 4.007,1013 4.04,1014 3.96,1015 3.904,1016 7.428,1017 3.908,1018 3.868,1019 3.917,1020 3.784,1021 3.69,1022 6.449,1023 3.701,1024 3.803,1025 3.857,1026 3.701,1027 3.675,1028 5.287,1029 3.666,1030 3.707,1031 3.759,1032 3.573,1033 3.52,1034 4.694,1035 3.532,1036 3.505,1037 3.578,1038 3.336,1039 3.326,1040 4.291,1041 3.326,1042 3.389,1043 3.45,1044 3.271,1045 3.159,1046 4.214,1047 3.173,1048 3.193,1049 3.279,1050 2.991,1051 3.001,1052 4.025,1053 2.995,1054 3.004,1055 3.062,1056 2.849,1057 2.821,1058 4.008,1059 2.818,1060 0.139,1061 0.122,1062 0.206,1063 0.127,1064 0.096,1065 4.309,1066 0.128,1067 3.767,1068 0.063,1069 6.393,1070 0.311,1071 3.947,1072 0.093,1073 2.973,1074 3.978,1075 1.957,1076 9.645,1077 2.889,1078 1.928,1079 1.901,1080 2.052,1081 2.017,1082 1.401,1083 2.024,1084 1.8,1085 1.74,1086 2.034,1087 1.959,1088 1.198,1089 1.993,1090 1.627,1091 1.58,1092 1.897,1093 1.833,1094 1.183,1095 1.842,1096 1.614,1097 1.56,1098 1.815,1099 1.811,1100 1.153,1101 1.812,1102 1.495,1103 1.422,1104 1.715,1105 1.735,1106 0.933,1107 1.749,1108 1.366,1109 1.298,1110 1.661,1111 1.591,1112 0.904,1113 1.612,1114 1.284,1115 1.224,1116 1.5,1117 1.534,1118 0.7,1119 1.521,1120 1.041,1121 0.958,1122 1.379,1123 1.339,1124 0.584,1125 1.337,1126 4.143,1128 5.407,1129 3.045,1130 6.845,1131 5.283,1132 8.365,1133 7.261,1134 9.934,1135 2.224,1139 9.777,1140 9.934,1141 5.878,1143 -1.125,1148 35.605,1149 90.913,1150 208.027,1151 277.717,1152 311.02,1153 325.02,1154 329.02,1155 65.671,1156 7.279,1157 100.28,1158 100.28,1159 16,1160 12.238,1161 3.7,1162 2.907,1163 53.044,1164 152,1165 179,1166 0.166,1167 221.223,1168 384.81,1169 531.545,1170 15821,1172 20.476,1173 0.706,1174 0.593,1175 20.476,1176 17.193,1177 14.169,1178 0.457,1179 0.348,1180 10.654,1181 13.653,1182 10.459,1183 8.73,1184 14.169,1185 10.781,1186 11.903,1187 0.298,1188 0.193,1189 11.903,1190 7.732,1191 9.795,1192 0.196,1193 0.107,1194 9.795,1195 5.363,1196 7.698,1197 0.128,1198 0.059,1199 7.698,1200 3.558,1201 5.259,1202 0.083,1203 0.033,1204 5.259,1205 2.094,1206 0.276,1207 88.848,1208 0.219,1209 28.829,1210 0.417,1211 142,1212 397.577,1213 157.243,1214 378.311,1215 511.8,1216 354,1217 161,1218 375.848,1219 177.022,1220 372.621,1221 541.27,1222 352,1223 7.066} {0 CHEMBL1209325,1 1.467,2 14.552,3 2.835,4 8.034,5 112.916,6 6.445,7 0.355,8 4.192,9 4.337,10 3.62,11 3.663,12 5.172,13 3.619,14 4.774,15 4.988,16 3.944,17 4.06,18 5.693,19 3.979,20 5.055,21 5.318,22 3.948,23 4.158,24 5.976,25 4.037,26 5.052,27 5.325,28 3.872,29 4.085,30 6.058,31 3.965,32 4.942,33 5.222,34 3.739,35 4.019,36 5.82,37 3.893,38 4.855,39 5.114,40 3.705,41 4.015,42 5.718,43 3.876,44 4.882,45 5.162,46 3.683,47 3.996,48 5.73,49 3.849,50 4.816,51 5.09,52 3.598,53 3.927,54 5.656,55 3.778,56 0.091,57 0.915,58 15.061,59 5.623,60 10.838,61 8.33,62 0.279,63 1.434,64 27.457,65 9.148,66 26.906,67 14.135,68 0.473,69 1.622,70 36.793,71 11.291,72 54.68,73 17.783,74 0.6,75 1.562,76 37.207,77 10.043,78 82.932,79 16.605,80 0.416,81 1.423,82 32.966,83 9.419,84 51.055,85 15.303,86 0.257,87 1.36,88 29.623,89 9.998,90 37.965,91 15.369,92 0.326,93 1.366,94 30.556,95 9.961,96 41.944,97 15.514,98 0.283,99 1.278,100 28.579,101 9.183,102 35.411,103 14.428,104 23,105 41,106 0.239,107 0.561,108 0.772,109 0.852,110 0.877,111 0.877,112 3.407,113 1.042,114 -5.3,115 -5.19,116 -4.85,117 35.5,118 1,119 7,122 1,123 2,124 2,130 4,131 2,136 1,142 1,144 1,149 1,151 12,152 2,153 4,154 1,156 3,158 11,161 8,163 1,164 2,165 2,167 7,170 11,172 1,173 1,174 3,176 4,179 9,183 2,185 5,188 6,191 3,193 7,196 4,197 2,199 4,200 8,203 3,204 1,205 3,206 8,208 2,209 1,213 2,214 7,216 1531,217 19.698,218 19.698,219 19.698,220 19.698,221 19.698,222 18.26,223 17.916,224 12.018,225 19.968,226 15.259,227 15.259,228 15.259,229 15.259,230 15.259,231 12.988,232 19.515,233 5.682,234 15.712,235 4.487,236 2.512,237 1.214,238 0.726,239 0.573,240 0.573,241 4.088,244 1,245 1,246 884,247 3.808,250 196.45,251 107.076,256 2.709,257 26.694,259 1,260 0.83,261 0.83,262 1,263 1,264 1,265 1,266 0.95,267 62.5,268 422,269 4.406,270 3.767,271 6.393,272 3.984,273 3.033,274 4.106,275 1.957,276 9.678,277 2.897,278 4.082,279 3.125,280 6.323,281 3.943,282 2.97,283 3.579,284 0.589,285 9.644,286 2.877,287 3.99,288 2.812,289 5.839,290 3.601,291 2.624,292 3.201,293 0.42,294 7.99,295 2.556,296 3.603,297 2.727,298 5.324,299 3.293,300 2.317,301 2.918,303 6.867,304 2.257,305 3.201,306 2.48,307 4.881,308 2.961,309 1.973,310 2.237,312 5.276,313 1.932,314 2.887,315 1.874,316 4.32,317 2.828,318 1.831,319 1.94,321 4.107,322 1.825,323 2.727,324 1.643,325 4.179,326 2.482,327 1.499,328 1.788,330 3.616,331 1.472,332 2.655,333 1.617,334 3.768,335 2.244,336 1.3,337 1.687,339 3.376,340 1.223,341 2.5,342 1.439,343 3.745,344 2.096,345 1.142,346 1.5,347 2.694,348 1.091,349 2.237,350 1.214,351 3.414,352 2.051,353 1.119,354 1.22,355 2.275,356 1.034,357 2.149,358 1.167,359 3.399,360 2,361 1,362 1.147,363 2.247,364 1,365 1.972,366 1.065,367 3.257,368 1.874,369 0.915,370 0.954,371 2.201,372 0.875,373 1.728,374 1,375 2.989,376 1.485,377 0.499,378 0.534,379 0.976,380 0.491,381 1.57,382 0.501,383 2.665,384 1.405,385 0.404,386 0.481,387 0.863,388 0.4,389 0.978,390 0.119,391 2.497,392 0.78,393 -0.201,394 -0.215,395 -0.365,396 -0.196,397 13.667,398 0.471,399 0.592,400 0.02,401 29.75,402 1.026,403 11.5,404 0.397,405 18.25,406 0.629,407 29.06,408 1.002,409 33.733,410 0.544,411 21.453,412 0.74,413 5.317,414 0.183,415 8.763,416 0.302,417 0.122,419 0.285,420 0.836,421 1.456,422 0.956,423 1.256,424 0.752,425 1.14,426 0.788,427 1.275,428 0.978,429 1.173,430 0.657,431 1.106,432 0.977,433 1.077,434 0.958,435 1.025,436 1.013,437 0.996,438 1.237,439 1.043,440 1.047,441 0.937,442 1.233,443 0.957,444 1.25,445 0.88,446 1.032,447 0.832,448 1.174,449 0.883,450 0.894,451 1.118,452 1.006,453 1.106,454 0.891,455 1.078,456 0.768,457 0.956,458 0.947,459 0.996,460 0.729,461 0.991,462 0.837,463 1.054,464 1.016,465 1.074,466 0.683,467 1.065,468 5,469 0.14,470 3.333,471 1.667,472 1.207,473 0.869,474 0.432,475 0.353,476 0.26,477 0.177,478 12295,479 26092,480 2.033,481 53.2,482 13,483 13,486 3,487 2,489 2,490 1.713,491 1.912,492 3.787,493 0.891,495 1,497 90.978,498 1.467,499 3.443,500 4.74,501 5.228,502 5.381,503 5.381,504 3.263,505 4.556,506 4.821,507 4.004,508 1625.55,509 8.364,510 23989,511 1,513 369.16,514 1.358,515 4.792,516 0.161,517 0.007,518 0.081,519 0.043,520 0.034,521 0.027,522 0.014,523 0.012,524 0.01,525 0.008,526 0.397,527 0.17,528 1,529 1.567,530 152.6,532 -0.094,533 0.041,534 -0.021,535 -0.051,536 0.006,537 0.082,538 -0.082,539 0.013,540 -0.076,541 0.043,542 -0.048,543 0.062,544 -0.062,545 0.036,546 -0.028,547 0.025,548 -0.005,549 -0.001,550 -0.048,551 -0.024,552 -0.003,553 0.059,554 -0.012,555 -0.173,556 0.122,557 -0.028,558 0.116,559 -0.09,560 0.075,561 -0.061,562 -0.09,563 -0.042,564 -0.057,565 -0.031,566 -0.049,567 0.015,568 0.05,569 0.015,570 0.007,571 -0.008,572 0.01,573 -0.031,574 -0.038,575 -0.051,576 -0.068,577 -0.017,578 -0.062,579 1.937,580 5.146,581 0.552,582 38.806,583 0.992,584 1.141,585 4.069,586 16.558,587 0.623,588 3.466,589 3.738,590 3.97,591 4.159,592 4.234,593 4.29,594 4.357,595 4.454,596 4.585,597 4.585,598 8.387,599 0.579,600 399.6,601 3.466,602 4.977,603 5.802,604 6.65,605 7.495,606 8.351,607 9.205,608 10.066,609 10.925,610 11.789,611 8.1,613 1,617 1,618 1,620 2,623 4,624 2,628 4,629 1,630 11,638 62,639 12,640 1,641 31,642 64,643 22,644 8,645 2,646 4,648 3,649 3,652 1,655 3,657 9,659 9,660 13,662 1,664 1,667 1,669 1,670 33,671 6,672 3,673 7,677 5,681 1,682 2,684 1,689 1,692 2,693 1,700 1,705 1,708 1,710 3,712 2,715 29,717 1,718 9,719 2,721 2,728 1,731 3.2,732 1,734 1,737 15.167,738 11.217,739 6.611,740 4.173,741 2.082,742 1.286,743 0.92,744 8.077,745 9.365,746 3.651,747 4.139,748 4.626,749 5.109,750 5.486,751 5.75,752 6.079,753 6.429,754 6.792,755 6.843,756 0.9,757 39,758 10.811,759 4.508,760 7.655,761 21.109,762 17.275,763 2.155,764 62.5,767 1,768 353.133,769 92.811,770 71.247,772 67.828,774 92.811,775 420.961,776 71.247,777 17.222,778 39.964,779 98.599,780 65.626,781 10.476,783 353.133,785 353.133,786 164.058,787 67.828,790 331.919,791 48.687,792 42.683,793 70.904,794 57.377,795 33.449,797 353.133,798 139.075,799 92.811,801 353.133,802 37.685,803 56.903,804 36.022,805 101.277,806 353.133,807 139.075,808 92.811,810 0.566,811 0.327,812 0.167,813 0.08,814 17,815 8,816 0.156,817 10,819 1,820 4.25,821 230.601,823 16,824 136.881,826 21.792,827 10.749,828 6.035,830 137.298,831 7.943,832 9.269,836 3.739,837 1.878,838 78.705,839 585.019,840 37.5,842 12.146,845 -0.158,846 61.534,847 70.723,848 0.246,849 0.578,850 0.796,851 0.878,852 0.904,853 0.904,854 4.873,855 1.3,856 5.759,857 3.616,858 4.419,859 4.824,860 2.135,861 6.518,862 4.358,863 6.024,864 1.142,865 7.288,866 3.376,867 3.892,868 4.527,869 1.593,870 7.334,871 3.79,872 7.298,873 1.119,874 8.921,875 2.694,876 5.958,877 6.879,878 3.045,879 10.41,880 5.831,881 8.61,882 1,883 10.617,884 2.275,885 6.312,886 7.462,887 3.114,888 12.086,889 6.133,890 9.96,891 0.915,892 12.352,893 2.247,894 7.795,895 9.27,896 4.214,897 14.643,898 7.593,899 11.333,900 0.499,901 14.115,902 2.201,903 8.547,904 10.248,905 4.563,906 16.653,907 8.291,908 12.725,909 0.404,910 15.897,911 0.976,912 9.797,913 11.833,914 5.473,915 19.029,916 9.514,917 3.033,918 -0.201,919 17.693,920 0.863,921 10.733,922 13.006,923 5.966,924 21.179,925 10.397,926 2.97,927 9.678,928 19.499,929 -0.365,930 11.887,931 14.492,932 6.771,933 23.486,934 11.52,935 2.624,936 9.644,937 21.312,938 4.106,939 12.907,940 15.768,941 7.343,942 25.698,943 12.491,944 2.317,945 7.99,946 23.131,947 3.579,948 14.023,949 17.207,950 8.089,951 27.979,952 13.572,953 1.973,954 6.867,955 24.955,956 3.201,957 15.082,958 18.539,959 8.704,960 30.219,961 14.585,962 1.831,963 5.276,964 26.782,965 2.918,966 16.184,967 19.958,968 9.418,969 32.49,970 15.649,971 1.499,972 4.107,973 28.613,974 2.237,975 17.262,976 21.322,977 10.058,978 34.743,979 16.683,980 12060,981 17824,982 20.572,983 38.597,984 45.546,985 46.269,986 46.928,987 45.308,988 45.257,989 54.582,990 5.931,991 123.619,992 43.863,993 5.366,994 5.767,995 6.345,996 5.026,997 5.033,998 7.106,999 3.426,1000 16.262,1001 4.897,1002 14.769,1003 1.469,1004 1.493,1005 1.514,1006 1.462,1007 1.46,1008 1.761,1009 0.191,1010 3.988,1011 1.415,1012 4.031,1013 4.083,1014 3.987,1015 3.915,1016 7.428,1017 3.921,1018 3.877,1019 3.933,1020 3.795,1021 3.69,1022 6.449,1023 3.705,1024 3.815,1025 3.864,1026 3.725,1027 3.686,1028 5.052,1029 3.684,1030 3.715,1031 3.786,1032 3.557,1033 3.546,1034 4.661,1035 3.55,1036 3.46,1037 3.541,1038 3.309,1039 3.292,1040 4.29,1041 3.279,1042 3.396,1043 3.464,1044 3.239,1045 3.165,1046 4.202,1047 3.18,1048 3.102,1049 3.207,1050 2.953,1051 2.924,1052 4.011,1053 2.921,1054 3.084,1055 3.146,1056 2.842,1057 2.888,1058 3.963,1059 2.865,1060 0.142,1061 0.122,1062 0.206,1063 0.129,1064 0.098,1065 4.406,1066 0.132,1067 3.767,1068 0.063,1069 6.393,1070 0.312,1071 3.984,1072 0.093,1073 3.033,1074 4.106,1075 1.957,1076 9.678,1077 2.897,1078 1.928,1079 1.902,1080 2.044,1081 2.017,1082 1.386,1083 2.024,1084 1.795,1085 1.733,1086 2.033,1087 1.962,1088 1.185,1089 1.99,1090 1.62,1091 1.579,1092 1.872,1093 1.842,1094 1.155,1095 1.848,1096 1.615,1097 1.547,1098 1.815,1099 1.83,1100 1.145,1101 1.814,1102 1.496,1103 1.422,1104 1.716,1105 1.736,1106 0.933,1107 1.75,1108 1.409,1109 1.318,1110 1.697,1111 1.668,1112 0.845,1113 1.689,1114 1.309,1115 1.247,1116 1.544,1117 1.534,1118 0.711,1119 1.534,1120 1.148,1121 1.051,1122 1.489,1123 1.41,1124 0.671,1125 1.444,1126 4.143,1128 5.425,1129 3.045,1130 6.882,1131 5.352,1132 8.422,1133 7.38,1134 10.009,1135 4.179,1139 9.796,1140 8.91,1141 5.909,1143 -1.11,1148 35.912,1149 90.978,1150 213.439,1151 293.876,1152 324.141,1153 333.65,1154 333.65,1155 64.021,1156 7.283,1157 92.07,1158 92.07,1159 16,1160 12.337,1161 3.7,1162 2.907,1163 52.938,1164 145,1165 167,1166 0.175,1167 224.021,1168 387.02,1169 538.372,1170 15261,1172 20.64,1173 0.712,1174 0.604,1175 20.64,1176 17.525,1177 14.08,1178 0.454,1179 0.347,1180 10.634,1181 13.587,1182 10.377,1183 8.679,1184 14.08,1185 10.766,1186 12.079,1187 0.295,1188 0.191,1189 12.079,1190 7.842,1191 10.01,1192 0.193,1193 0.106,1194 10.01,1195 5.508,1196 7.865,1197 0.125,1198 0.058,1199 7.865,1200 3.671,1201 5.514,1202 0.081,1203 0.032,1204 5.514,1205 2.2,1206 0.288,1207 88.017,1208 0.22,1209 28.567,1210 0.448,1211 144,1212 375.486,1213 158.06,1214 362.661,1215 494.44,1216 340,1217 165,1218 362.639,1219 180.282,1220 364.528,1221 531.76,1222 344,1223 6.215} {0 CHEMBL1209326,1 1.51,2 14.607,3 2.548,4 6.491,5 108.4,6 6.665,7 0.367,8 4.135,9 4.269,10 3.591,11 3.608,12 5.151,13 3.575,14 4.71,15 4.904,16 3.91,17 4.001,18 5.668,19 3.927,20 4.999,21 5.257,22 3.885,23 4.074,24 5.931,25 3.958,26 4.974,27 5.238,28 3.821,29 3.969,30 6.018,31 3.868,32 4.829,33 5.096,34 3.656,35 3.874,36 5.766,37 3.771,38 4.687,39 4.931,40 3.608,41 3.831,42 5.608,43 3.72,44 4.682,45 4.933,46 3.611,47 3.811,48 5.614,49 3.703,50 4.645,51 4.889,52 3.53,53 3.771,54 5.584,55 3.655,56 0.071,57 0.837,58 13.755,59 5.439,60 11.794,61 7.654,62 0.275,63 1.306,64 25.326,65 8.937,66 29.202,67 13.233,68 0.461,69 1.478,70 35.022,71 11.045,72 57.188,73 16.747,74 0.617,75 1.384,76 34.922,77 9.426,78 86.938,79 14.949,80 0.453,81 1.235,82 29.997,83 8.223,84 55.747,85 13.011,86 0.255,87 1.128,88 25.281,89 8.259,90 38.303,91 12.431,92 0.354,93 1.117,94 25.397,95 8.028,96 40.206,97 12.14,98 0.274,99 1.083,100 24.313,101 7.729,102 36.538,103 11.712,104 16,105 39,106 0.249,107 0.57,108 0.767,109 0.853,110 0.88,111 0.88,112 3.373,113 1.028,114 -5.08,115 -4.98,116 -4.66,117 36.2,118 1,119 7,123 2,124 2,130 4,131 2,142 1,144 2,149 1,151 12,152 2,153 4,154 1,156 3,158 11,161 8,163 1,164 2,165 2,167 7,170 11,172 1,173 1,174 3,176 4,179 9,183 2,185 5,188 6,191 3,193 7,196 4,197 2,199 4,200 8,203 3,204 1,205 3,206 8,208 2,209 1,213 2,214 7,216 1392,217 19.198,218 19.198,219 19.198,220 19.198,221 19.198,222 17.813,223 16.585,224 11.822,225 19.396,226 14.781,227 14.781,228 14.781,229 14.781,230 14.781,231 12.597,232 18.297,233 5.601,234 15.084,235 4.348,236 2.406,237 1.216,238 0.694,239 0.53,240 0.53,241 4.057,244 1,245 1,246 859,247 3.742,250 189,251 103.068,256 2.75,257 28.982,259 1,260 0.83,261 0.83,262 1,263 1,264 1,265 1,266 0.95,267 61,268 409,269 4.309,270 3.767,271 6.393,272 3.947,273 2.973,274 3.978,275 1.957,276 9.645,277 2.895,278 4.077,279 2.988,280 6.187,281 3.913,282 2.931,283 3.461,284 0.589,285 9.241,286 2.873,287 3.897,288 2.785,289 5.391,290 3.512,291 2.526,292 3.196,293 0.42,294 7.11,295 2.488,296 3.528,297 2.696,298 5.246,299 3.231,300 2.25,301 2.823,303 6.624,304 2.206,305 3.2,306 2.432,307 4.88,308 2.961,309 1.972,310 2.236,312 5.274,313 1.933,314 2.866,315 1.806,316 4.248,317 2.797,318 1.799,319 1.931,321 3.917,322 1.795,323 2.718,324 1.617,325 3.779,326 2.423,327 1.437,328 1.75,330 3.442,331 1.415,332 2.5,333 1.546,334 3.743,335 2.154,336 1.174,337 1.5,339 2.7,340 1.15,341 2.277,342 1.238,343 3.414,344 2.052,345 1.139,346 1.259,347 2.317,348 1.034,349 2.172,350 1.207,351 3.4,352 2,353 1,354 1.147,355 2.275,356 1,357 2.149,358 1.079,359 3.302,360 1.885,361 0.924,362 1.041,363 2.198,364 0.885,365 1.969,366 1,367 3.219,368 1.697,369 0.709,370 0.94,371 1.689,372 0.699,373 1.726,374 0.713,375 2.978,376 1.494,377 0.498,378 0.534,379 0.968,380 0.495,381 1.56,382 0.5,383 2.627,384 1.398,385 0.397,386 0.473,387 0.846,388 0.393,389 0.975,390 0.114,391 2.367,392 0.765,393 -0.231,394 -0.244,395 -0.41,396 -0.23,397 13.1,398 0.468,399 0.503,400 0.018,401 29,402 1.036,403 11.5,404 0.411,405 17.5,406 0.625,407 26.812,408 0.958,409 32.5,410 0.56,411 20.302,412 0.725,413 5.245,414 0.187,415 8.424,416 0.301,417 0.089,419 0.267,420 0.83,421 1.351,422 0.914,423 1.23,424 0.729,425 1.104,426 0.703,427 1.31,428 0.962,429 1.25,430 0.645,431 1.161,432 0.929,433 1.042,434 0.923,435 1.033,436 0.979,437 0.99,438 1.265,439 0.989,440 0.994,441 0.889,442 1.233,443 0.895,444 1.379,445 0.848,446 1.063,447 0.795,448 1.285,449 0.856,450 1.024,451 1.092,452 0.994,453 1.057,454 1.016,455 1.028,456 1.009,457 0.954,458 0.982,459 0.959,460 0.863,461 0.965,462 1.046,463 1.1,464 1.096,465 1.124,466 0.819,467 1.116,468 4.5,469 0.12,470 2.889,471 1.222,472 0.967,473 0.702,474 0.371,475 0.262,476 0.211,477 0.172,478 11530,479 25947,480 2.055,481 51.7,482 13,483 10,486 3,487 2,489 2,490 1.702,491 1.953,492 3.793,493 0.917,494 1,495 1,497 87.563,498 1.51,499 3.452,500 4.642,501 5.164,502 5.328,503 5.328,504 3.253,505 4.423,506 4.77,507 4.009,508 1515.48,509 8.254,510 22038.9,511 1,512 1,513 339.763,514 1.255,515 4.752,516 0.15,517 0.006,518 0.074,519 0.034,520 0.029,521 0.024,522 0.013,523 0.009,524 0.008,525 0.008,526 0.357,527 0.17,528 1,529 1.547,530 146.311,531 -0.016,532 -0.018,533 0.038,534 -0.006,535 -0.029,536 0.018,537 0.136,538 -0.137,539 -0.003,540 -0.137,541 0.055,542 -0.101,543 0.059,544 -0.066,545 0.059,546 -0.04,547 0.027,549 -0.015,550 -0.038,551 0.032,552 0.034,553 0.062,554 0.04,555 -0.21,556 0.137,557 -0.045,558 0.131,559 -0.126,560 0.083,561 -0.088,562 -0.074,563 -0.022,564 -0.03,565 -0.055,566 -0.018,567 -0.023,568 0.066,569 0.002,570 0.041,571 -0.036,572 0.026,573 -0.091,574 -0.06,575 -0.118,576 -0.115,577 -0.057,578 -0.119,579 1.944,580 5.098,581 0.571,582 37.837,583 0.998,584 1.138,585 3.85,586 14.825,587 0.626,588 3.434,589 3.689,590 3.912,591 4.094,592 4.143,593 4.205,594 4.277,595 4.357,596 4.477,597 4.511,598 8.418,599 0.588,600 386.55,601 3.434,602 4.934,603 5.753,604 6.592,605 7.427,606 8.274,607 9.118,608 9.969,609 10.818,610 11.672,611 6.9,613 1,617 1,620 2,623 4,624 2,626 1,628 4,630 11,638 58,639 12,640 1,641 30,642 60,643 21,644 8,645 2,646 4,648 3,649 3,652 1,655 3,657 9,659 9,660 12,662 1,664 1,667 1,669 1,670 30,671 7,672 3,673 7,677 4,681 1,682 3,684 1,689 1,692 2,693 1,700 1,705 1,708 1,710 3,712 1,715 28,717 1,718 9,719 2,721 2,731 5.2,732 1,734 1,736 1,737 14.333,738 10.183,739 6.417,740 3.957,741 2.077,742 1.288,743 0.917,744 7.869,745 9.284,746 3.624,747 4.09,748 4.566,749 5.043,750 5.391,751 5.66,752 5.99,753 6.314,754 6.657,755 6.737,756 0.9,757 36,758 10.432,759 4.371,760 7.714,761 20.229,762 16.534,763 2.214,764 62,767 1,768 317.82,769 89.799,770 69.348,772 77.336,774 89.799,775 395.155,776 69.348,777 8.825,778 39.964,779 98.599,780 73.216,781 15.878,783 317.82,785 317.82,786 159.147,787 77.336,790 294.278,791 58.194,792 42.683,793 76.84,794 48.981,795 33.326,797 317.82,798 146.683,799 89.799,801 317.82,802 43.069,803 46.73,804 36.022,805 110.662,806 317.82,807 146.683,808 89.799,810 0.561,811 0.321,812 0.164,813 0.076,814 16,815 7,816 0.167,817 10,819 1,820 4.227,821 216.94,823 16,824 130.606,826 20.816,827 10.585,828 6.043,830 146.683,831 7.705,832 8.283,834 5.766,836 3.052,838 78.705,839 554.302,840 36.5,842 12.098,845 -0.172,846 57.876,847 66.019,848 0.258,849 0.589,850 0.792,851 0.881,852 0.909,853 0.909,854 4.834,855 1.174,856 5.694,857 3.442,858 4.369,859 4.775,860 2.135,861 6.428,862 4.328,863 5.969,864 1.139,865 7.204,866 2.7,867 3.761,868 4.369,869 1.593,870 7.195,871 3.701,872 7.228,873 1,874 8.818,875 2.317,876 5.883,877 6.792,878 3.045,879 10.264,880 5.802,881 8.526,882 0.924,883 10.495,884 2.275,885 6.176,886 7.282,887 3.114,888 11.912,889 6.068,890 9.86,891 0.709,892 12.215,893 2.198,894 7.684,895 9.126,896 4.214,897 14.452,898 7.558,899 11.218,900 0.498,901 13.963,902 1.689,903 8.389,904 10.019,905 4.563,906 16.443,907 8.234,908 12.593,909 0.397,910 15.733,911 0.968,912 9.646,913 11.621,914 5.473,915 18.804,916 9.474,917 2.973,918 -0.231,919 17.517,920 0.846,921 10.547,922 12.721,923 5.966,924 20.94,925 10.345,926 2.931,927 9.645,928 19.313,929 -0.41,930 11.698,931 14.208,932 6.771,933 23.233,934 11.477,935 2.526,936 9.241,937 21.118,938 3.978,939 12.692,940 15.422,941 7.343,942 25.432,943 12.442,944 2.25,945 7.11,946 22.93,947 3.461,948 13.799,949 16.851,950 8.089,951 27.7,952 13.529,953 1.972,954 6.624,955 24.747,956 3.196,957 14.837,958 18.131,959 8.704,960 29.927,961 14.54,962 1.799,963 5.274,964 26.568,965 2.823,966 15.926,967 19.532,968 9.418,969 32.185,970 15.607,971 1.437,972 3.917,973 28.394,974 2.236,975 16.986,976 20.85,977 10.058,978 34.425,979 16.64,980 11271,981 17156,982 20.167,983 36.285,984 43.83,985 44.308,986 44.813,987 43.484,988 43.454,989 52.535,990 5.931,991 116.49,992 42.519,993 5.269,994 5.767,995 6.346,996 4.986,997 4.973,998 6.978,999 3.426,1000 16.16,1001 4.895,1002 12.692,1003 1.461,1004 1.477,1005 1.494,1006 1.449,1007 1.448,1008 1.751,1009 0.198,1010 3.883,1011 1.417,1012 4.008,1013 4.038,1014 3.963,1015 3.902,1016 7.428,1017 3.907,1018 3.869,1019 3.917,1020 3.784,1021 3.688,1022 6.449,1023 3.7,1024 3.795,1025 3.849,1026 3.697,1027 3.665,1028 5.255,1029 3.657,1030 3.685,1031 3.74,1032 3.547,1033 3.488,1034 4.681,1035 3.505,1036 3.455,1037 3.529,1038 3.307,1039 3.273,1040 4.29,1041 3.271,1042 3.37,1043 3.434,1044 3.223,1045 3.129,1046 4.202,1047 3.149,1048 3.095,1049 3.179,1050 2.918,1051 2.924,1052 4.008,1053 2.914,1054 2.975,1055 3.045,1056 2.773,1057 2.765,1058 3.976,1059 2.759,1060 0.144,1061 0.126,1062 0.213,1063 0.132,1064 0.099,1065 4.309,1066 0.133,1067 3.767,1068 0.065,1069 6.393,1070 0.321,1071 3.947,1072 0.097,1073 2.973,1074 3.978,1075 1.957,1076 9.645,1077 2.895,1078 1.926,1079 1.902,1080 2.042,1081 2.019,1082 1.384,1083 2.024,1084 1.787,1085 1.727,1086 2.032,1087 1.948,1088 1.184,1089 1.982,1090 1.616,1091 1.579,1092 1.855,1093 1.833,1094 1.154,1095 1.815,1096 1.578,1097 1.514,1098 1.815,1099 1.773,1100 1.133,1101 1.799,1102 1.495,1103 1.421,1104 1.714,1105 1.735,1106 0.933,1107 1.749,1108 1.3,1109 1.253,1110 1.576,1111 1.546,1112 0.795,1113 1.542,1114 1.253,1115 1.175,1116 1.497,1117 1.503,1118 0.695,1119 1.511,1120 0.97,1121 0.911,1122 1.261,1123 1.311,1124 0.445,1125 1.249,1126 4.111,1128 5.38,1129 3.045,1130 6.823,1131 5.283,1132 8.349,1133 7.261,1134 9.921,1135 2.209,1139 9.766,1140 8.55,1141 5.869,1143 -1.126,1148 34.078,1149 87.563,1150 200.211,1151 269.234,1152 299.498,1153 309.008,1154 309.008,1155 61.862,1156 7.208,1157 100.28,1158 100.28,1159 16,1160 12.228,1161 3.7,1162 2.907,1163 50.218,1164 141,1165 162,1166 0.171,1167 211.631,1168 367.51,1169 508.14,1170 14194,1172 19.769,1173 0.706,1174 0.589,1175 19.769,1176 16.486,1177 13.669,1178 0.456,1179 0.343,1180 10.15,1181 13.158,1182 9.966,1183 8.31,1184 13.669,1185 10.279,1186 11.55,1187 0.296,1188 0.189,1189 11.55,1190 7.368,1191 9.545,1192 0.195,1193 0.104,1194 9.545,1195 5.1,1196 7.521,1197 0.127,1198 0.057,1199 7.521,1200 3.372,1201 5.134,1202 0.083,1203 0.032,1204 5.134,1205 1.963,1206 0.283,1207 85.802,1208 0.223,1209 27.884,1210 0.433,1211 138,1212 393.577,1213 153.63,1214 373.816,1215 505.74,1216 350,1217 157,1218 369.742,1219 173.298,1220 367.255,1221 535.55,1222 347,1223 5.658} {0 CHEMBL1209384,1 1.486,2 14.607,3 3.03,4 9.178,5 111.237,6 6.535,7 0.367,8 4.147,9 4.293,10 3.589,11 3.621,12 5.147,13 3.579,14 4.721,15 4.927,16 3.898,17 4.02,18 5.642,19 3.938,20 5.021,21 5.288,22 3.882,23 4.106,24 5.932,25 3.979,26 4.997,27 5.274,28 3.811,29 4.016,30 6.008,31 3.896,32 4.869,33 5.151,34 3.653,35 3.927,36 5.768,37 3.801,38 4.733,39 4.997,40 3.605,41 3.866,42 5.616,43 3.74,44 4.705,45 4.971,46 3.603,47 3.845,48 5.596,49 3.722,50 4.69,51 4.955,52 3.532,53 3.81,54 5.592,55 3.674,56 0.11,57 0.877,58 14.235,59 5.415,60 12.235,61 7.875,62 0.221,63 1.369,64 25.743,65 8.764,66 24.77,67 13.489,68 0.462,69 1.541,70 35.602,71 10.932,72 54.16,73 17.183,74 0.579,75 1.451,76 35.28,77 9.578,78 81.775,79 15.74,80 0.398,81 1.306,82 30.788,83 8.61,84 52.147,85 14.07,86 0.29,87 1.188,88 26.452,89 8.416,90 37.465,91 13.083,92 0.262,93 1.177,94 25.668,95 8.042,96 35.601,97 12.719,98 0.313,99 1.146,100 25.378,101 7.825,102 36.802,103 12.446,104 16,105 39,106 0.244,107 0.574,108 0.771,109 0.856,110 0.882,111 0.882,112 3.373,113 1.037,114 -4.27,115 -4.21,116 -3.97,117 35.6,118 1,119 7,123 2,124 2,130 4,131 1,132 1,134 1,137 1,142 1,149 2,151 10,152 1,153 3,154 1,156 3,158 9,161 7,163 1,164 2,165 2,167 6,170 10,172 1,173 1,174 3,176 3,179 8,183 1,185 4,188 6,189 1,191 3,193 6,196 3,197 1,199 4,200 7,202 1,203 3,204 1,205 2,206 7,208 1,209 2,211 1,213 1,214 5,216 1392,217 19.198,218 19.198,219 19.198,220 19.198,221 19.198,222 17.813,223 22.909,224 11.822,225 19.427,226 14.781,227 14.781,228 14.781,229 14.781,230 14.781,231 12.597,232 25.215,233 5.601,234 15.152,235 4.397,236 2.393,237 1.195,238 0.682,239 0.521,240 0.521,241 4.057,244 1,245 1,246 859,247 3.742,250 189,251 103.068,256 2.75,257 24.996,259 1,260 0.83,261 0.83,262 1,263 1,264 1,265 1,266 0.95,267 60.5,268 409,269 4.309,270 3.767,271 6.393,272 3.946,273 2.973,274 3.978,275 1.957,276 9.645,277 2.888,278 4.077,279 3.069,280 6.187,281 3.891,282 2.931,283 3.461,284 0.589,285 9.241,286 2.813,287 3.897,288 2.786,289 5.391,290 3.511,291 2.526,292 3.196,293 0.42,294 7.11,295 2.485,296 3.528,297 2.696,298 5.246,299 3.223,300 2.25,301 2.823,303 6.624,304 2.185,305 3.2,306 2.486,307 4.88,308 2.961,309 1.972,310 2.236,312 5.274,313 1.932,314 2.866,315 1.806,316 4.248,317 2.796,318 1.799,319 1.931,321 3.917,322 1.794,323 2.718,324 1.618,325 3.779,326 2.429,327 1.437,328 1.75,330 3.442,331 1.424,332 2.5,333 1.548,334 3.743,335 2.158,336 1.174,337 1.5,339 2.7,340 1.155,341 2.277,342 1.244,343 3.414,344 2.052,345 1.139,346 1.259,347 2.317,348 1.034,349 2.172,350 1.208,351 3.4,352 2,353 1,354 1.147,355 2.275,356 1,357 2.149,358 1.08,359 3.302,360 1.886,361 0.924,362 1.041,363 2.198,364 0.886,365 1.969,366 1,367 3.219,368 1.679,369 0.709,370 0.94,371 1.689,372 0.685,373 1.726,374 0.721,375 2.978,376 1.494,377 0.498,378 0.534,379 0.968,380 0.496,381 1.56,382 0.501,383 2.627,384 1.396,385 0.397,386 0.473,387 0.846,388 0.392,389 0.975,390 0.123,391 2.367,392 0.763,393 -0.231,394 -0.244,395 -0.41,396 -0.23,397 13.167,398 0.47,399 0.503,400 0.018,401 28.75,402 1.027,403 11.5,404 0.411,405 17.25,406 0.616,407 26.935,408 0.962,409 32.433,410 0.55,411 20.179,412 0.721,413 5.184,414 0.185,415 8.485,416 0.303,417 0.089,419 0.258,420 0.782,421 1.335,422 0.937,423 1.217,424 0.718,425 1.117,426 0.761,427 1.376,428 0.996,429 1.26,430 0.654,431 1.172,432 0.938,433 1.064,434 0.956,435 1.037,436 0.989,437 1.007,438 1.173,439 0.996,440 0.988,441 0.899,442 1.195,443 0.912,444 1.243,445 0.892,446 1.027,447 0.839,448 1.213,449 0.885,450 0.981,451 0.995,452 0.984,453 0.994,454 0.965,455 0.989,456 0.874,457 1.04,458 0.959,459 1.01,460 0.795,461 0.992,462 0.864,463 1.082,464 1.06,465 1.093,466 0.742,467 1.097,468 4.5,469 0.12,470 2.889,471 1.222,472 0.967,473 0.702,474 0.371,475 0.262,476 0.211,477 0.172,478 11530,479 24939,480 2.055,481 52.5,482 13,483 10,484 1,486 3,487 2,489 2,490 1.702,491 1.953,492 3.793,493 0.917,495 1,497 87.648,498 1.486,499 3.49,500 4.687,501 5.2,502 5.361,503 5.361,504 3.253,505 4.423,506 4.77,507 4.009,508 1515.48,509 8.254,510 22038.9,511 1,512 1,513 347.076,514 1.255,515 4.752,516 0.15,517 0.006,518 0.074,519 0.034,520 0.029,521 0.024,522 0.013,523 0.009,524 0.008,525 0.008,526 0.357,527 0.17,528 1,529 1.547,530 146.311,531 0.05,532 0.023,533 0.043,534 0.007,535 -0.022,536 0.015,537 0.059,538 -0.184,539 -0.024,540 -0.145,541 0.028,542 -0.106,543 0.067,544 -0.074,545 0.03,546 -0.045,547 0.021,548 -0.019,549 0.025,550 -0.035,551 0.026,552 0.033,553 0.078,554 0.032,555 -0.168,556 0.09,557 -0.026,558 0.101,559 -0.097,560 0.068,561 -0.058,562 0.02,563 -0.008,564 0.017,565 -0.033,566 0.012,567 -0.03,568 -0.007,569 0.011,570 -0.004,571 -0.017,572 0.01,573 0.008,574 -0.042,575 -0.086,576 -0.095,577 -0.024,578 -0.102,579 1.935,580 5.109,581 0.571,582 37.837,583 0.994,584 1.141,585 3.038,586 9.232,587 0.624,588 3.434,589 3.689,590 3.912,591 4.094,592 4.143,593 4.205,594 4.277,595 4.357,596 4.477,597 4.511,598 8.418,599 0.583,600 385.57,601 3.434,602 4.934,603 5.753,604 6.592,605 7.427,606 8.274,607 9.118,608 9.969,609 10.818,610 11.672,611 8.5,613 1,617 1,618 1,620 2,623 5,624 2,628 3,629 1,630 11,638 59,639 12,640 1,641 30,642 61,643 21,644 8,645 2,646 4,648 3,649 3,652 1,655 3,657 9,659 9,660 12,662 1,664 1,667 1,669 1,670 31,671 6,672 3,673 7,677 5,681 1,682 2,684 1,689 1,692 2,693 1,700 1,705 1,708 1,710 3,712 1,715 28,717 1,718 9,719 2,721 2,728 1,731 3.4,732 1,734 1,737 14.333,738 10.3,739 6.417,740 4.001,741 2.077,742 1.288,743 0.92,744 7.869,745 9.284,746 3.624,747 4.09,748 4.566,749 5.043,750 5.391,751 5.66,752 5.99,753 6.314,754 6.657,755 6.737,756 0.9,757 36,758 10.426,759 4.353,760 7.673,761 20.334,762 16.662,763 2.173,764 60.833,767 1,768 329.591,769 91.134,770 71.002,772 67.828,774 91.134,775 397.419,776 71.002,777 8.825,778 39.964,779 107.647,780 63.053,781 10.476,782 11.771,783 317.82,785 329.591,786 162.136,787 67.828,790 306.049,791 48.687,792 42.683,793 71.333,794 57.599,795 33.203,797 329.591,798 138.83,799 91.134,801 329.591,802 35.357,803 57.554,804 36.022,805 101.032,806 329.591,807 138.83,808 91.134,810 0.561,811 0.321,812 0.164,813 0.076,814 16,815 7,816 0.164,817 10,819 1,820 4.227,821 216.94,823 16,824 130.606,826 20.816,827 10.585,828 6.043,830 137.053,831 9.887,832 8.496,836 2.976,837 1.794,838 78.705,839 559.555,840 36.5,842 12.109,845 -0.158,846 58.65,847 67.308,848 0.253,849 0.593,850 0.797,851 0.884,852 0.911,853 0.911,854 4.834,855 1.174,856 5.694,857 3.442,858 4.369,859 4.775,860 2.135,861 6.428,862 4.318,863 5.969,864 1.139,865 7.204,866 2.7,867 3.761,868 4.369,869 1.593,870 7.195,871 3.672,872 7.228,873 1,874 8.818,875 2.317,876 5.883,877 6.792,878 3.045,879 10.264,880 5.773,881 8.526,882 0.924,883 10.495,884 2.275,885 6.176,886 7.282,887 3.114,888 11.912,889 6.02,890 9.86,891 0.709,892 12.215,893 2.198,894 7.684,895 9.126,896 4.214,897 14.452,898 7.508,899 11.218,900 0.498,901 13.963,902 1.689,903 8.389,904 10.019,905 4.563,906 16.443,907 8.165,908 12.593,909 0.397,910 15.733,911 0.968,912 9.646,913 11.621,914 5.473,915 18.804,916 9.4,917 2.973,918 -0.231,919 17.517,920 0.846,921 10.547,922 12.721,923 5.966,924 20.94,925 10.255,926 2.931,927 9.645,928 19.313,929 -0.41,930 11.698,931 14.208,932 6.771,933 23.233,934 11.38,935 2.526,936 9.241,937 21.118,938 3.978,939 12.692,940 15.422,941 7.343,942 25.432,943 12.332,944 2.25,945 7.11,946 22.93,947 3.461,948 13.799,949 16.851,950 8.089,951 27.7,952 13.409,953 1.972,954 6.624,955 24.747,956 3.196,957 14.837,958 18.131,959 8.704,960 29.927,961 14.408,962 1.799,963 5.274,964 26.568,965 2.823,966 15.926,967 19.532,968 9.418,969 32.185,970 15.466,971 1.437,972 3.917,973 28.394,974 2.236,975 16.986,976 20.85,977 10.058,978 34.425,979 16.488,980 11271,981 16827,982 20.167,983 36.836,984 43.83,985 44.247,986 44.813,987 43.496,988 43.454,989 52.535,990 5.931,991 116.49,992 42.338,993 5.269,994 5.767,995 6.346,996 4.993,997 4.973,998 6.978,999 3.426,1000 16.16,1001 4.888,1002 12.692,1003 1.461,1004 1.475,1005 1.494,1006 1.45,1007 1.448,1008 1.751,1009 0.198,1010 3.883,1011 1.411,1012 4.03,1013 4.082,1014 3.983,1015 3.905,1016 7.428,1017 3.913,1018 3.873,1019 3.927,1020 3.787,1021 3.689,1022 6.449,1023 3.703,1024 3.798,1025 3.852,1026 3.7,1027 3.685,1028 5.106,1029 3.677,1030 3.698,1031 3.766,1032 3.552,1033 3.537,1034 4.672,1035 3.538,1036 3.461,1037 3.542,1038 3.309,1039 3.278,1040 4.291,1041 3.271,1042 3.374,1043 3.44,1044 3.228,1045 3.147,1046 4.203,1047 3.162,1048 3.102,1049 3.192,1050 2.923,1051 2.912,1052 4.013,1053 2.905,1054 2.978,1055 3.048,1056 2.776,1057 2.789,1058 3.953,1059 2.774,1060 0.144,1061 0.126,1062 0.213,1063 0.132,1064 0.099,1065 4.309,1066 0.133,1067 3.767,1068 0.065,1069 6.393,1070 0.321,1071 3.946,1072 0.096,1073 2.973,1074 3.978,1075 1.957,1076 9.645,1077 2.888,1078 1.929,1079 1.898,1080 2.047,1081 2.038,1082 1.387,1083 2.039,1084 1.793,1085 1.733,1086 2.031,1087 1.948,1088 1.187,1089 1.983,1090 1.623,1091 1.581,1092 1.867,1093 1.842,1094 1.158,1095 1.824,1096 1.6,1097 1.541,1098 1.815,1099 1.775,1100 1.139,1101 1.803,1102 1.495,1103 1.421,1104 1.716,1105 1.736,1106 0.933,1107 1.75,1108 1.364,1109 1.293,1110 1.617,1111 1.599,1112 0.832,1113 1.594,1114 1.251,1115 1.171,1116 1.503,1117 1.507,1118 0.701,1119 1.518,1120 1.038,1121 0.946,1122 1.345,1123 1.371,1124 0.506,1125 1.342,1126 4.111,1128 5.38,1129 3.045,1130 6.823,1131 5.283,1132 8.349,1133 7.261,1134 9.921,1135 2.224,1139 9.774,1140 8.943,1141 5.895,1143 -1.106,1148 34.385,1149 87.648,1150 205.915,1151 276.547,1152 306.811,1153 316.321,1154 316.321,1155 60.112,1156 7.208,1157 92.07,1158 92.07,1159 16,1160 12.228,1161 3.7,1162 2.907,1163 50.218,1164 141,1165 162,1166 0.171,1167 214.429,1168 369.72,1169 514.967,1170 14194,1172 19.769,1173 0.706,1174 0.593,1175 19.769,1176 16.603,1177 13.669,1178 0.456,1179 0.346,1180 10.245,1181 13.177,1182 10.049,1183 8.392,1184 13.669,1185 10.368,1186 11.55,1187 0.296,1188 0.192,1189 11.55,1190 7.491,1191 9.545,1192 0.195,1193 0.106,1194 9.545,1195 5.217,1196 7.521,1197 0.127,1198 0.059,1199 7.521,1200 3.471,1201 5.134,1202 0.083,1203 0.033,1204 5.134,1205 2.029,1206 0.283,1207 85.56,1208 0.223,1209 27.884,1210 0.433,1211 138,1212 367.486,1213 151.671,1214 355.092,1215 482.01,1216 332,1217 157,1218 355.171,1219 172.005,1220 355.032,1221 513.44,1222 335,1223 5.959} {0 CHEMBL1209385,1 1.51,2 14.607,3 2.639,4 6.963,5 105.774,6 6.665,7 0.367,8 4.135,9 4.268,10 3.592,11 3.61,12 5.155,13 3.575,14 4.708,15 4.905,16 3.906,17 4.003,18 5.663,19 3.927,20 4.997,21 5.258,22 3.884,23 4.076,24 5.928,25 3.959,26 4.974,27 5.238,28 3.821,29 3.969,30 6.018,31 3.868,32 4.829,33 5.096,34 3.656,35 3.874,36 5.766,37 3.771,38 4.687,39 4.931,40 3.608,41 3.831,42 5.608,43 3.72,44 4.682,45 4.933,46 3.611,47 3.811,48 5.614,49 3.703,50 4.645,51 4.889,52 3.53,53 3.771,54 5.583,55 3.655,56 0.098,57 0.836,58 13.782,59 5.375,60 12.461,61 7.665,62 0.248,63 1.318,64 25.225,65 8.937,66 28.493,67 13.241,68 0.442,69 1.489,70 34.866,71 10.961,72 56.602,73 16.775,74 0.617,75 1.384,76 34.922,77 9.426,78 86.938,79 14.949,80 0.453,81 1.235,82 29.997,83 8.223,84 55.747,85 13.011,86 0.255,87 1.128,88 25.281,89 8.259,90 38.303,91 12.431,92 0.354,93 1.117,94 25.397,95 8.028,96 40.206,97 12.14,98 0.274,99 1.083,100 24.313,101 7.729,102 36.374,103 11.712,104 16,105 39,106 0.249,107 0.576,108 0.767,109 0.853,110 0.88,111 0.88,112 3.373,113 1.028,114 -5.08,115 -4.98,116 -4.66,117 36.2,118 1,119 7,123 2,124 2,130 4,131 2,136 1,142 1,144 1,149 1,151 12,152 2,153 4,154 1,156 3,158 11,161 8,163 1,164 2,165 2,167 7,170 11,172 1,173 1,174 3,176 4,179 9,183 2,185 5,188 6,191 3,193 7,196 4,197 2,199 4,200 8,203 3,204 1,205 3,206 8,208 2,209 1,213 2,214 7,216 1392,217 19.198,218 19.198,219 19.198,220 19.198,221 19.198,222 17.813,223 16.585,224 11.822,225 19.417,226 14.781,227 14.781,228 14.781,229 14.781,230 14.781,231 12.597,232 18.297,233 5.601,234 15.136,235 4.348,236 2.372,237 1.216,238 0.694,239 0.53,240 0.53,241 4.057,244 1,245 1,246 859,247 3.742,250 189,251 103.068,256 2.75,257 28.745,259 1,260 0.83,261 0.83,262 1,263 1,264 1,265 1,266 0.95,267 61,268 409,269 4.309,270 3.767,271 6.393,272 3.947,273 2.973,274 3.978,275 1.957,276 9.645,277 2.891,278 4.077,279 2.988,280 6.187,281 3.905,282 2.931,283 3.461,284 0.589,285 9.241,286 2.859,287 3.897,288 2.785,289 5.391,290 3.503,291 2.526,292 3.196,293 0.42,294 7.11,295 2.465,296 3.528,297 2.696,298 5.246,299 3.224,300 2.25,301 2.823,303 6.624,304 2.186,305 3.2,306 2.432,307 4.88,308 2.961,309 1.972,310 2.236,312 5.274,313 1.933,314 2.866,315 1.806,316 4.248,317 2.795,318 1.799,319 1.931,321 3.917,322 1.791,323 2.718,324 1.617,325 3.779,326 2.429,327 1.437,328 1.75,330 3.442,331 1.424,332 2.5,333 1.546,334 3.743,335 2.156,336 1.174,337 1.5,339 2.7,340 1.152,341 2.277,342 1.238,343 3.414,344 2.052,345 1.139,346 1.259,347 2.317,348 1.034,349 2.172,350 1.207,351 3.4,352 2,353 1,354 1.147,355 2.275,356 1,357 2.149,358 1.079,359 3.302,360 1.886,361 0.924,362 1.041,363 2.198,364 0.886,365 1.969,366 1,367 3.219,368 1.674,369 0.709,370 0.94,371 1.689,372 0.681,373 1.726,374 0.713,375 2.978,376 1.483,377 0.498,378 0.534,379 0.968,380 0.49,381 1.56,382 0.5,383 2.627,384 1.396,385 0.397,386 0.473,387 0.846,388 0.392,389 0.975,390 0.114,391 2.367,392 0.759,393 -0.231,394 -0.244,395 -0.41,396 -0.229,397 13.1,398 0.468,399 0.503,400 0.018,401 29.25,402 1.045,403 11.5,404 0.411,405 17.75,406 0.634,407 26.685,408 0.953,409 32.5,410 0.56,411 20.429,412 0.73,413 5.265,414 0.188,415 8.404,416 0.3,417 0.089,419 0.267,420 0.781,421 1.386,422 0.912,423 1.218,424 0.72,425 1.103,426 0.69,427 1.307,428 0.961,429 1.248,430 0.643,431 1.161,432 0.855,433 1.046,434 0.912,435 1.037,436 0.967,437 0.992,438 1.265,439 0.989,440 0.994,441 0.889,442 1.233,443 0.895,444 1.379,445 0.848,446 1.063,447 0.795,448 1.285,449 0.856,450 1.024,451 1.092,452 0.994,453 1.057,454 1.016,455 1.028,456 1.009,457 0.954,458 0.982,459 0.959,460 0.863,461 0.965,462 1.046,463 1.1,464 1.096,465 1.124,466 0.821,467 1.116,468 4.5,469 0.12,470 2.889,471 1.222,472 0.967,473 0.702,474 0.371,475 0.262,476 0.211,477 0.172,478 11530,479 25959,480 2.055,481 51.7,482 13,483 10,486 3,487 2,489 2,490 1.702,491 1.953,492 3.793,493 0.917,494 1,495 1,497 87.563,498 1.51,499 3.486,500 4.642,501 5.164,502 5.328,503 5.328,504 3.253,505 4.423,506 4.77,507 4.009,508 1515.48,509 8.254,510 22038.9,511 1,512 1,513 339.763,514 1.255,515 4.752,516 0.15,517 0.006,518 0.074,519 0.034,520 0.029,521 0.024,522 0.013,523 0.009,524 0.008,525 0.008,526 0.357,527 0.17,528 1,529 1.547,530 146.311,531 0.033,532 -0.053,533 0.04,534 0.007,535 -0.02,536 0.02,537 0.109,538 -0.127,539 -0.007,540 -0.137,541 0.05,542 -0.1,543 0.073,544 -0.059,545 0.064,546 -0.047,547 0.03,548 -0.002,549 -0.015,550 -0.038,551 0.032,552 0.034,553 0.062,554 0.04,555 -0.21,556 0.137,557 -0.045,558 0.131,559 -0.126,560 0.083,561 -0.088,562 -0.074,563 -0.022,564 -0.03,565 -0.055,566 -0.018,567 -0.023,568 0.066,569 0.002,570 0.041,571 -0.036,572 0.026,573 -0.091,574 -0.06,575 -0.118,576 -0.115,577 -0.059,578 -0.119,579 1.944,580 5.098,581 0.571,582 37.837,583 0.998,584 1.138,585 3.85,586 14.825,587 0.626,588 3.434,589 3.689,590 3.912,591 4.094,592 4.143,593 4.205,594 4.277,595 4.357,596 4.477,597 4.511,598 8.418,599 0.588,600 386.55,601 3.434,602 4.934,603 5.753,604 6.592,605 7.427,606 8.274,607 9.118,608 9.969,609 10.818,610 11.672,611 6.9,613 1,617 1,620 2,623 4,624 2,626 1,628 4,630 11,638 58,639 12,640 1,641 30,642 60,643 21,644 8,645 2,646 4,648 3,649 3,652 1,655 3,657 9,659 9,660 12,662 1,664 1,667 1,669 1,670 30,671 7,672 3,673 7,677 4,681 1,682 3,684 1,689 1,692 2,693 1,700 1,705 1,708 1,710 3,712 1,715 28,717 1,718 9,719 2,721 2,731 5.2,732 1,734 1,736 1,737 14.333,738 10.183,739 6.417,740 3.958,741 2.077,742 1.288,743 0.916,744 7.869,745 9.284,746 3.624,747 4.09,748 4.566,749 5.043,750 5.391,751 5.66,752 5.99,753 6.314,754 6.657,755 6.737,756 0.9,757 36,758 10.429,759 4.37,760 7.714,761 20.229,762 16.542,763 2.214,764 62,767 1,768 317.82,769 87.107,770 72.404,772 77.562,774 87.107,775 395.382,776 72.404,777 8.825,778 39.964,779 98.599,780 71.252,781 18.433,783 317.82,785 317.82,786 159.511,787 77.562,790 296.605,791 58.421,792 42.683,793 71.82,794 48.981,795 36.382,797 317.82,798 149.966,799 87.107,801 317.82,802 40.377,803 46.73,804 36.022,805 113.945,806 317.82,807 149.966,808 87.107,810 0.561,811 0.321,812 0.164,813 0.076,814 16,815 7,816 0.167,817 10,819 1,820 4.227,821 216.94,823 16,824 130.606,826 20.816,827 10.585,828 6.043,830 149.966,831 7.705,832 8.549,834 5.379,836 3.121,838 78.705,839 554.893,840 36.5,842 12.098,845 -0.172,846 57.876,847 66.019,848 0.258,849 0.595,850 0.792,851 0.881,852 0.909,853 0.909,854 4.834,855 1.174,856 5.694,857 3.442,858 4.369,859 4.775,860 2.135,861 6.428,862 4.321,863 5.969,864 1.139,865 7.204,866 2.7,867 3.761,868 4.369,869 1.593,870 7.195,871 3.687,872 7.228,873 1,874 8.818,875 2.317,876 5.883,877 6.792,878 3.045,879 10.264,880 5.785,881 8.526,882 0.924,883 10.495,884 2.275,885 6.176,886 7.282,887 3.114,888 11.912,889 6.045,890 9.86,891 0.709,892 12.215,893 2.198,894 7.684,895 9.126,896 4.214,897 14.452,898 7.533,899 11.218,900 0.498,901 13.963,902 1.689,903 8.389,904 10.019,905 4.563,906 16.443,907 8.204,908 12.593,909 0.397,910 15.733,911 0.968,912 9.646,913 11.621,914 5.473,915 18.804,916 9.441,917 2.973,918 -0.231,919 17.517,920 0.846,921 10.547,922 12.721,923 5.966,924 20.94,925 10.308,926 2.931,927 9.645,928 19.313,929 -0.41,930 11.698,931 14.208,932 6.771,933 23.233,934 11.438,935 2.526,936 9.241,937 21.118,938 3.978,939 12.692,940 15.422,941 7.343,942 25.432,943 12.4,944 2.25,945 7.11,946 22.93,947 3.461,948 13.799,949 16.851,950 8.089,951 27.7,952 13.484,953 1.972,954 6.624,955 24.747,956 3.196,957 14.837,958 18.131,959 8.704,960 29.927,961 14.492,962 1.799,963 5.274,964 26.568,965 2.823,966 15.926,967 19.532,968 9.418,969 32.185,970 15.557,971 1.437,972 3.917,973 28.394,974 2.236,975 16.986,976 20.85,977 10.058,978 34.425,979 16.588,980 11271,981 17164,982 20.167,983 36.285,984 43.83,985 44.308,986 44.813,987 43.476,988 43.454,989 52.535,990 5.931,991 116.49,992 42.37,993 5.269,994 5.767,995 6.346,996 4.988,997 4.973,998 6.978,999 3.426,1000 16.16,1001 4.891,1002 12.692,1003 1.461,1004 1.477,1005 1.494,1006 1.449,1007 1.448,1008 1.751,1009 0.198,1010 3.883,1011 1.412,1012 4.007,1013 4.038,1014 3.962,1015 3.903,1016 7.428,1017 3.907,1018 3.868,1019 3.917,1020 3.784,1021 3.688,1022 6.449,1023 3.7,1024 3.794,1025 3.849,1026 3.695,1027 3.666,1028 5.29,1029 3.657,1030 3.684,1031 3.74,1032 3.548,1033 3.492,1034 4.685,1035 3.506,1036 3.456,1037 3.528,1038 3.308,1039 3.272,1040 4.29,1041 3.27,1042 3.37,1043 3.434,1044 3.226,1045 3.13,1046 4.206,1047 3.149,1048 3.098,1049 3.178,1050 2.918,1051 2.922,1052 4.008,1053 2.913,1054 2.976,1055 3.045,1056 2.779,1057 2.764,1058 3.99,1059 2.759,1060 0.144,1061 0.126,1062 0.213,1063 0.132,1064 0.099,1065 4.309,1066 0.133,1067 3.767,1068 0.065,1069 6.393,1070 0.321,1071 3.947,1072 0.096,1073 2.973,1074 3.978,1075 1.957,1076 9.645,1077 2.891,1078 1.927,1079 1.902,1080 2.043,1081 2.019,1082 1.384,1083 2.024,1084 1.788,1085 1.726,1086 2.032,1087 1.947,1088 1.185,1089 1.982,1090 1.616,1091 1.579,1092 1.856,1093 1.833,1094 1.154,1095 1.815,1096 1.581,1097 1.512,1098 1.815,1099 1.77,1100 1.134,1101 1.799,1102 1.495,1103 1.421,1104 1.714,1105 1.735,1106 0.933,1107 1.749,1108 1.307,1109 1.25,1110 1.58,1111 1.544,1112 0.799,1113 1.54,1114 1.249,1115 1.176,1116 1.496,1117 1.507,1118 0.695,1119 1.513,1120 0.967,1121 0.914,1122 1.265,1123 1.332,1124 0.448,1125 1.253,1126 4.111,1128 5.38,1129 3.045,1130 6.823,1131 5.283,1132 8.349,1133 7.261,1134 9.921,1135 2.21,1139 9.766,1140 8.599,1141 5.869,1143 -1.126,1148 34.078,1149 87.563,1150 202.211,1151 269.234,1152 299.498,1153 309.008,1154 309.008,1155 61.812,1156 7.208,1157 100.28,1158 100.28,1159 16,1160 12.228,1161 3.7,1162 2.907,1163 50.218,1164 141,1165 162,1166 0.171,1167 211.631,1168 367.51,1169 508.14,1170 14194,1172 19.769,1173 0.706,1174 0.589,1175 19.769,1176 16.486,1177 13.669,1178 0.456,1179 0.343,1180 10.154,1181 13.155,1182 9.968,1183 8.314,1184 13.669,1185 10.281,1186 11.55,1187 0.296,1188 0.189,1189 11.55,1190 7.383,1191 9.545,1192 0.195,1193 0.104,1194 9.545,1195 5.111,1196 7.521,1197 0.127,1198 0.057,1199 7.521,1200 3.381,1201 5.134,1202 0.083,1203 0.032,1204 5.134,1205 1.971,1206 0.283,1207 85.848,1208 0.223,1209 27.884,1210 0.433,1211 138,1212 393.577,1213 153.243,1214 374.233,1215 506.08,1216 350,1217 157,1218 371.848,1219 173.188,1220 368.68,1221 535.93,1222 348,1223 7.215} {0 CHEMBL1209386,1 1.502,2 14.607,3 3.514,4 12.347,5 115.028,6 6.807,7 0.367,8 4.136,9 4.268,10 3.655,11 3.695,12 5.102,13 3.619,14 4.714,15 4.909,16 4.009,17 4.103,18 5.612,19 3.982,20 5.006,21 5.261,22 3.969,23 4.185,24 5.897,25 4.016,26 4.982,27 5.246,28 3.907,29 4.107,30 5.973,31 3.937,32 4.846,33 5.11,34 3.727,35 4.016,36 5.722,37 3.845,38 4.727,39 4.975,40 3.681,41 3.96,42 5.586,43 3.79,44 4.713,45 4.967,46 3.693,47 3.938,48 5.572,49 3.768,50 4.659,51 4.901,52 3.609,53 3.9,54 5.528,55 3.721,56 0.067,57 0.851,58 14.601,59 6.065,60 9.758,61 8.179,62 0.218,63 1.399,64 27.756,65 10.25,66 22.656,67 14.196,68 0.424,69 1.642,70 39.218,71 13.712,72 48.571,73 18.49,74 0.535,75 1.576,76 39.849,77 12.649,78 76.072,79 17.123,80 0.342,81 1.398,82 34.379,83 11.237,84 45.872,85 15.249,86 0.203,87 1.257,88 28.794,89 10.709,90 33.172,91 14.47,92 0.25,93 1.27,94 30.391,95 10.357,96 33.102,97 14.084,98 0.183,99 1.205,100 27.745,101 10.02,102 28.998,103 13.489,104 16,105 39,106 0.247,107 0.574,108 0.771,109 0.856,110 0.882,111 0.882,112 3.373,113 1.122,114 -4.39,115 -4.33,116 -4.08,117 37.3,118 1,119 7,123 2,124 2,130 4,131 2,133 1,138 1,142 1,144 1,151 12,153 2,154 1,156 3,158 13,161 3,163 1,164 2,165 2,167 10,170 5,172 1,173 1,174 3,176 7,179 4,183 2,185 7,188 3,191 3,193 8,196 2,197 1,199 5,200 9,203 1,205 3,206 9,208 1,209 2,213 2,214 7,216 1392,217 19.198,218 19.198,219 19.198,220 19.198,221 19.198,222 17.813,223 16.585,224 11.822,225 19.558,226 14.781,227 14.781,228 14.781,229 14.781,230 14.781,231 12.597,232 18.297,233 5.601,234 15.407,235 4.38,236 2.393,237 1.195,238 0.682,239 0.521,240 0.521,241 4.057,244 1,245 1,246 859,247 3.742,250 189,251 103.068,256 2.75,257 23.692,259 1,260 0.83,261 0.83,262 1,263 1,264 1,265 1,266 0.95,267 59.5,268 409,269 4.309,270 3.767,271 6.393,272 3.946,273 2.973,274 3.978,275 1.957,276 9.645,277 2.887,278 4.077,279 2.988,280 6.187,281 3.861,282 2.931,283 3.461,284 0.589,285 9.241,286 2.752,287 3.897,288 2.785,289 5.391,290 3.485,291 2.526,292 3.196,293 0.42,294 7.11,295 2.394,296 3.528,297 2.696,298 5.246,299 3.217,300 2.25,301 2.823,303 6.624,304 2.159,305 3.2,306 2.432,307 4.88,308 2.96,309 1.972,310 2.236,312 5.274,313 1.93,314 2.866,315 1.806,316 4.248,317 2.792,318 1.799,319 1.931,321 3.917,322 1.783,323 2.718,324 1.617,325 3.779,326 2.398,327 1.437,328 1.75,330 3.442,331 1.373,332 2.5,333 1.546,334 3.743,335 2.14,336 1.174,337 1.5,339 2.7,340 1.124,341 2.277,342 1.238,343 3.414,344 2.051,345 1.139,346 1.259,347 2.317,348 1.034,349 2.172,350 1.207,351 3.4,352 2,353 1,354 1.147,355 2.275,356 1,357 2.149,358 1.079,359 3.302,360 1.882,361 0.924,362 1.041,363 2.198,364 0.881,365 1.969,366 1,367 3.219,368 1.614,369 0.709,370 0.94,371 1.689,372 0.627,373 1.726,374 0.713,375 2.978,376 1.435,377 0.498,378 0.534,379 0.968,380 0.462,381 1.56,382 0.5,383 2.627,384 1.386,385 0.397,386 0.473,387 0.846,388 0.389,389 0.975,390 0.114,391 2.367,392 0.74,393 -0.231,394 -0.244,395 -0.41,396 -0.223,397 13.7,398 0.489,399 0.503,400 0.018,401 28.5,402 1.018,403 11.5,404 0.411,405 17,406 0.607,407 28.701,408 1.025,409 31.9,410 0.541,411 18.413,412 0.658,413 4.845,414 0.173,415 8.824,416 0.315,417 0.085,419 0.255,420 0.862,421 1.255,422 0.88,423 1.038,424 0.742,425 1.047,426 0.77,427 1.212,428 0.931,429 1.081,430 0.675,431 1.096,432 0.899,433 1.016,434 0.997,435 1.028,436 0.974,437 1.001,438 1.167,439 0.959,440 1.096,441 0.962,442 1.197,443 0.922,444 1.235,445 0.873,446 1.153,447 0.951,448 1.207,449 0.928,450 0.864,451 1.056,452 0.978,453 1.046,454 0.923,455 1.037,456 0.786,457 1.021,458 1.117,459 1.112,460 0.756,461 1.004,462 0.835,463 1.176,464 1.158,465 1.204,466 0.722,467 1.157,468 4.5,469 0.12,470 2.889,471 1.222,472 0.967,473 0.702,474 0.371,475 0.262,476 0.211,477 0.172,478 11530,479 24871,480 2.055,481 52.5,482 13,483 10,485 1,486 3,487 2,489 2,490 1.702,491 1.953,492 3.793,493 0.882,495 1,497 88.633,498 1.502,499 3.49,500 4.687,501 5.2,502 5.361,503 5.361,504 3.253,505 4.423,506 4.77,507 4.009,508 1515.48,509 8.254,510 22038.9,511 1,512 1,513 347.076,514 1.255,515 4.752,516 0.15,517 0.006,518 0.074,519 0.034,520 0.029,521 0.024,522 0.013,523 0.009,524 0.008,525 0.008,526 0.357,527 0.17,528 1,529 1.547,530 146.311,531 -0.062,532 -0.01,533 0.053,534 0.068,535 -0.051,536 0.047,537 0.048,538 -0.073,539 0.041,540 -0.026,541 0.011,542 -0.054,543 0.109,544 -0.024,545 0.026,546 -0.013,547 0.038,548 -0.009,549 0.064,550 0.034,551 0.006,552 0.05,553 0.095,554 0.041,555 -0.161,556 0.139,557 -0.073,558 0.07,559 -0.09,560 0.048,561 -0.032,562 -0.067,563 -0.008,564 -0.022,565 -0.016,566 -0.019,567 0.016,568 0.011,569 -0.019,570 -0.033,571 0.002,572 0.011,573 -0.052,574 -0.139,575 -0.111,576 -0.136,577 -0.029,578 -0.134,579 1.923,580 5.123,581 0.571,582 37.837,583 0.99,584 1.13,585 3.164,586 10.012,587 0.648,588 3.434,589 3.689,590 3.912,591 4.094,592 4.143,593 4.205,594 4.277,595 4.357,596 4.477,597 4.511,598 8.418,599 0.594,600 401.63,601 3.434,602 4.934,603 5.753,604 6.592,605 7.427,606 8.274,607 9.118,608 9.969,609 10.818,610 11.672,611 5.1,613 1,617 1,620 1,623 5,624 1,627 1,628 4,630 11,638 59,639 12,640 1,641 30,642 61,643 22,644 9,645 2,646 4,648 3,649 3,652 1,655 3,657 9,659 10,660 12,662 1,664 1,667 1,669 1,670 31,671 5,672 3,673 6,674 1,677 3,681 1,682 2,684 1,689 1,692 2,693 1,700 1,705 1,708 1,710 3,711 1,712 1,715 28,717 1,718 9,719 2,721 2,726 1,731 3.4,732 1,734 1,737 14.333,738 10.317,739 6.417,740 4.017,741 2.077,742 1.288,743 0.93,744 8.289,745 9.284,746 3.624,747 4.09,748 4.566,749 5.043,750 5.391,751 5.66,752 5.99,753 6.314,754 6.657,755 6.737,756 0.9,757 36,758 10.453,759 4.372,760 7.619,761 20.563,762 17.025,763 2.119,764 59.333,766 1,767 1,768 329.591,769 122.372,770 52.807,772 67.828,773 31.278,774 91.095,775 397.419,776 52.807,777 8.825,778 39.964,779 98.599,780 59.336,781 15.419,782 1.358,783 349.097,785 329.591,786 143.902,787 67.828,788 31.278,790 306.049,791 48.687,792 42.683,793 76.777,794 50.339,795 16.786,796 31.278,797 329.591,798 120.635,799 122.372,801 329.591,802 66.595,803 55.778,804 36.022,805 84.614,806 329.591,807 120.635,808 122.372,810 0.561,811 0.321,812 0.164,813 0.076,814 16,815 7,816 0.164,817 10,819 1,820 4.227,821 216.94,823 16,824 130.606,825 1,826 21.259,827 10.918,828 6.275,830 120.635,831 10.19,832 4.579,835 1.774,836 4.561,838 78.705,839 572.598,840 36.5,842 12.123,845 -0.141,846 58.407,847 66.647,848 0.255,849 0.593,850 0.797,851 0.884,852 0.911,853 0.911,854 4.834,855 1.174,856 5.694,857 3.442,858 4.369,859 4.775,860 2.135,861 6.428,862 4.286,863 5.969,864 1.139,865 7.204,866 2.7,867 3.761,868 4.369,869 1.593,870 7.195,871 3.629,872 7.228,873 1,874 8.818,875 2.317,876 5.883,877 6.792,878 3.045,879 10.264,880 5.716,881 8.526,882 0.924,883 10.495,884 2.275,885 6.176,886 7.282,887 3.114,888 11.912,889 5.944,890 9.86,891 0.709,892 12.215,893 2.198,894 7.684,895 9.126,896 4.214,897 14.452,898 7.428,899 11.218,900 0.498,901 13.963,902 1.689,903 8.389,904 10.019,905 4.563,906 16.443,907 8.068,908 12.593,909 0.397,910 15.733,911 0.968,912 9.646,913 11.621,914 5.473,915 18.804,916 9.3,917 2.973,918 -0.231,919 17.517,920 0.846,921 10.547,922 12.721,923 5.966,924 20.94,925 10.142,926 2.931,927 9.645,928 19.313,929 -0.41,930 11.698,931 14.208,932 6.771,933 23.233,934 11.264,935 2.526,936 9.241,937 21.118,938 3.978,939 12.692,940 15.422,941 7.343,942 25.432,943 12.206,944 2.25,945 7.11,946 22.93,947 3.461,948 13.799,949 16.851,950 8.089,951 27.7,952 13.281,953 1.972,954 6.624,955 24.747,956 3.196,957 14.837,958 18.131,959 8.704,960 29.927,961 14.272,962 1.799,963 5.274,964 26.568,965 2.823,966 15.926,967 19.532,968 9.418,969 32.185,970 15.327,971 1.437,972 3.917,973 28.394,974 2.236,975 16.986,976 20.85,977 10.058,978 34.425,979 16.344,980 11271,981 16798,982 20.167,983 38.233,984 43.83,985 44.308,986 44.813,987 43.452,988 43.454,989 52.535,990 5.931,991 116.49,992 41.587,993 5.269,994 5.767,995 6.346,996 5.049,997 4.973,998 6.978,999 3.426,1000 16.16,1001 4.887,1002 12.692,1003 1.461,1004 1.477,1005 1.494,1006 1.448,1007 1.448,1008 1.751,1009 0.198,1010 3.883,1011 1.386,1012 4.006,1013 4.032,1014 4.252,1015 3.981,1016 7.428,1017 3.942,1018 3.868,1019 3.915,1020 3.831,1021 3.747,1022 6.449,1023 3.719,1024 3.798,1025 3.849,1026 3.742,1027 3.688,1028 4.889,1029 3.69,1030 3.688,1031 3.738,1032 3.571,1033 3.594,1034 4.618,1035 3.562,1036 3.454,1037 3.528,1038 3.308,1039 3.306,1040 4.29,1041 3.281,1042 3.375,1043 3.438,1044 3.248,1045 3.16,1046 4.201,1047 3.171,1048 3.094,1049 3.18,1050 2.921,1051 2.928,1052 4.002,1053 2.916,1054 2.985,1055 3.053,1056 2.795,1057 2.812,1058 3.947,1059 2.789,1060 0.144,1061 0.126,1062 0.213,1063 0.132,1064 0.099,1065 4.309,1066 0.133,1067 3.767,1068 0.065,1069 6.393,1070 0.321,1071 3.946,1072 0.096,1073 2.973,1074 3.978,1075 1.957,1076 9.645,1077 2.887,1078 1.929,1079 1.906,1080 2.041,1081 2.01,1082 1.389,1083 2.021,1084 1.794,1085 1.738,1086 2.03,1087 1.945,1088 1.19,1089 1.982,1090 1.618,1091 1.581,1092 1.859,1093 1.829,1094 1.16,1095 1.812,1096 1.606,1097 1.553,1098 1.815,1099 1.761,1100 1.147,1101 1.803,1102 1.495,1103 1.423,1104 1.713,1105 1.735,1106 0.934,1107 1.749,1108 1.331,1109 1.279,1110 1.595,1111 1.533,1112 0.841,1113 1.551,1114 1.311,1115 1.256,1116 1.495,1117 1.491,1118 0.712,1119 1.517,1120 1.048,1121 0.971,1122 1.342,1123 1.311,1124 0.519,1125 1.321,1126 4.111,1128 5.38,1129 3.045,1130 6.823,1131 5.283,1132 8.349,1133 7.261,1134 9.921,1135 2.242,1139 9.784,1140 9.374,1141 5.929,1143 -1.08,1148 35.056,1149 88.633,1150 205.915,1151 276.547,1152 306.811,1153 316.321,1154 316.321,1155 60.254,1156 7.208,1157 74.25,1158 102.49,1159 16,1160 12.228,1161 3.7,1162 2.907,1163 50.218,1164 141,1165 162,1166 0.171,1167 221.564,1168 383.53,1169 532.375,1170 14194,1172 19.769,1173 0.706,1174 0.623,1175 20.123,1176 17.433,1177 13.669,1178 0.456,1179 0.374,1180 10.385,1181 12.882,1182 10.085,1183 8.409,1184 14.077,1185 11.219,1186 11.55,1187 0.296,1188 0.221,1189 12.218,1190 8.614,1191 9.545,1192 0.195,1193 0.129,1194 10.336,1195 6.326,1196 7.521,1197 0.127,1198 0.075,1199 8.316,1200 4.44,1201 5.134,1202 0.083,1203 0.044,1204 5.726,1205 2.727,1206 0.283,1207 88.614,1208 0.223,1209 27.884,1210 0.433,1211 138,1212 345.056,1213 173.66,1214 355.996,1215 481.74,1216 334,1217 157,1218 327.215,1219 188.945,1220 347.875,1221 508.61,1222 329,1223 7.155} {0 CHEMBL1209387,1 1.438,2 14.607,3 3.524,4 12.42,5 111.713,6 6.41,7 0.367,8 4.157,9 4.301,10 3.578,11 3.653,12 5.134,13 3.603,14 4.732,15 4.935,16 3.888,17 4.057,18 5.638,19 3.965,20 5.034,21 5.298,22 3.876,23 4.147,24 5.931,25 4.009,26 5.015,27 5.29,28 3.808,29 4.062,30 6.006,31 3.928,32 4.913,33 5.198,34 3.65,35 3.98,36 5.781,37 3.837,38 4.771,39 5.038,40 3.599,41 3.918,42 5.624,43 3.775,44 4.731,45 4.997,46 3.598,47 3.892,48 5.592,49 3.754,50 4.733,51 5.003,52 3.521,53 3.862,54 5.595,55 3.712,56 0.101,57 0.873,58 14.565,59 5.675,60 11.136,61 8.202,62 0.206,63 1.385,64 26.109,65 9.366,66 23.493,67 14.122,68 0.446,69 1.593,70 35.813,71 11.851,72 51.349,73 18.033,74 0.543,75 1.513,76 35.554,77 10.609,78 78.465,79 16.743,80 0.379,81 1.378,82 31.817,83 9.624,84 50.576,85 15.227,86 0.239,87 1.239,88 27.183,89 9.372,90 35.987,91 14.206,92 0.241,93 1.218,94 26.113,95 8.922,96 33.243,97 13.621,98 0.261,99 1.202,100 26.252,101 8.707,102 34.825,103 13.429,104 16,105 39,106 0.236,107 0.565,108 0.766,109 0.859,110 0.885,111 0.885,112 3.373,113 1.05,114 -4.43,115 -4.36,116 -4.11,117 36.7,118 1,119 7,123 2,124 2,130 5,131 2,134 1,138 1,142 1,150 1,151 12,153 2,154 1,156 5,158 13,161 2,163 1,164 2,165 5,167 10,170 5,172 1,173 1,174 6,176 7,179 5,183 4,185 7,188 4,191 4,193 8,196 2,198 1,199 6,200 9,203 1,204 1,205 4,206 9,209 1,211 1,213 3,214 7,216 1392,217 19.198,218 19.198,219 19.198,220 19.198,221 19.198,222 17.813,223 16.585,224 11.822,225 19.396,226 14.781,227 14.781,228 14.781,229 14.781,230 14.781,231 12.597,232 18.297,233 5.601,234 15.084,235 4.468,236 2.459,237 1.236,238 0.671,239 0.513,240 0.513,241 4.057,244 1,245 1,246 859,247 3.742,250 189,251 103.068,256 2.75,257 24.705,259 1,260 0.83,261 0.83,262 1,263 1,264 1,265 1,266 0.95,267 60,268 409,269 4.309,270 3.767,271 6.393,272 3.947,273 2.973,274 3.978,275 1.957,276 9.645,277 2.895,278 4.077,279 2.988,280 6.187,281 3.913,282 2.931,283 3.461,284 0.589,285 9.241,286 2.873,287 3.897,288 2.785,289 5.391,290 3.512,291 2.526,292 3.196,293 0.42,294 7.11,295 2.488,296 3.528,297 2.696,298 5.246,299 3.231,300 2.25,301 2.823,303 6.624,304 2.206,305 3.2,306 2.432,307 4.88,308 2.961,309 1.972,310 2.236,312 5.274,313 1.933,314 2.866,315 1.806,316 4.248,317 2.797,318 1.799,319 1.931,321 3.917,322 1.795,323 2.718,324 1.617,325 3.779,326 2.423,327 1.437,328 1.75,330 3.442,331 1.415,332 2.5,333 1.546,334 3.743,335 2.154,336 1.174,337 1.5,339 2.7,340 1.15,341 2.277,342 1.238,343 3.414,344 2.052,345 1.139,346 1.259,347 2.317,348 1.034,349 2.172,350 1.207,351 3.4,352 2,353 1,354 1.147,355 2.275,356 1,357 2.149,358 1.079,359 3.302,360 1.885,361 0.924,362 1.041,363 2.198,364 0.885,365 1.969,366 1,367 3.219,368 1.697,369 0.709,370 0.94,371 1.689,372 0.699,373 1.726,374 0.713,375 2.978,376 1.494,377 0.498,378 0.534,379 0.968,380 0.495,381 1.56,382 0.5,383 2.627,384 1.398,385 0.397,386 0.473,387 0.846,388 0.393,389 0.975,390 0.114,391 2.367,392 0.765,393 -0.231,394 -0.244,395 -0.41,396 -0.23,397 13.267,398 0.474,399 0.503,400 0.018,401 28.5,402 1.018,403 11.5,404 0.411,405 17,406 0.607,407 27.411,408 0.979,409 32.333,410 0.539,411 19.703,412 0.704,413 5.106,414 0.182,415 8.563,416 0.306,417 0.088,419 0.264,420 0.855,421 1.28,422 0.975,423 1.162,424 0.747,425 1.092,426 0.779,427 1.341,428 1.023,429 1.234,430 0.672,431 1.167,432 0.922,433 1.046,434 0.975,435 1.046,436 0.992,437 1.025,438 1.131,439 1.015,440 0.992,441 0.939,442 1.173,443 0.945,444 1.206,445 0.87,446 1.017,447 0.842,448 1.162,449 0.888,450 0.906,451 1.044,452 0.955,453 1.022,454 0.921,455 1.001,456 0.802,457 1.03,458 0.952,459 1.026,460 0.754,461 1.007,462 0.878,463 1.038,464 1.045,465 1.067,466 0.714,467 1.069,468 4.5,469 0.12,470 2.889,471 1.222,472 0.967,473 0.702,474 0.371,475 0.262,476 0.211,477 0.172,478 11530,479 24011,480 2.055,481 53.3,482 13,483 11,486 4,487 2,489 2,490 1.702,491 1.953,492 3.793,493 1.627,495 1,497 86.306,498 1.438,499 3.448,500 4.671,501 5.236,502 5.394,503 5.394,504 3.253,505 4.423,506 4.77,507 4.009,508 1515.48,509 8.254,510 22038.9,511 1,513 354.413,514 1.255,515 4.752,516 0.15,517 0.006,518 0.074,519 0.034,520 0.029,521 0.024,522 0.013,523 0.009,524 0.008,525 0.008,526 0.357,528 1,529 1.547,530 146.311,531 -0.017,532 0.056,533 0.027,534 0.052,535 -0.046,536 0.043,537 0.03,538 -0.158,539 -0.041,540 -0.119,541 0.014,542 -0.094,543 0.083,544 -0.046,545 0.011,546 -0.046,547 0.019,548 -0.032,549 0.061,550 -0.043,551 0.018,552 0.009,553 0.089,554 0.009,555 -0.145,556 0.112,557 -0.019,558 0.1,559 -0.08,560 0.066,561 -0.044,562 -0.047,563 0.012,564 -0.002,565 -0.016,566 0.01,568 -0.002,569 0.015,570 -0.01,571 -0.003,572 0.003,573 -0.04,574 -0.012,575 -0.073,576 -0.07,577 -0.022,578 -0.074,579 1.927,580 5.118,581 0.571,582 37.837,583 0.991,584 1.137,585 3.204,586 10.268,587 0.627,588 3.434,589 3.689,590 3.912,591 4.094,592 4.143,593 4.205,594 4.277,595 4.357,596 4.477,597 4.511,598 8.418,599 0.582,600 384.58,601 3.434,602 4.934,603 5.753,604 6.592,605 7.427,606 8.274,607 9.118,608 9.969,609 10.818,610 11.672,611 6.7,613 1,617 1,618 1,620 1,623 5,624 1,625 1,628 4,630 11,638 60,639 12,640 1,641 30,642 62,643 22,644 9,645 2,646 4,648 3,649 3,652 1,655 3,657 9,659 10,660 12,662 1,664 1,667 1,669 1,670 32,671 5,672 4,673 6,677 4,681 1,682 2,684 1,687 1,689 1,692 2,693 1,700 1,705 1,708 1,710 3,712 1,715 28,717 1,718 9,719 2,721 2,731 3.3,732 1,734 1,737 14.333,738 10.4,739 6.417,740 4.062,741 2.077,742 1.288,743 0.929,744 7.928,745 9.284,746 3.624,747 4.09,748 4.566,749 5.043,750 5.391,751 5.66,752 5.99,753 6.314,754 6.657,755 6.737,756 0.9,757 36,758 10.44,759 4.367,760 7.643,761 20.457,762 16.876,763 2.143,764 60,766 1,767 1,768 329.591,769 94.749,770 69.348,772 67.828,774 94.749,775 397.419,776 69.348,777 8.825,778 39.964,779 108.075,780 46.513,781 25.791,782 2.757,783 329.591,785 329.591,786 164.096,787 67.828,790 306.049,791 48.687,792 42.683,793 86.22,794 61.214,795 16.663,797 329.591,798 137.176,799 94.749,801 329.591,802 38.542,803 56.206,804 52.685,805 84.491,806 329.591,807 137.176,808 94.749,810 0.561,811 0.321,812 0.164,813 0.076,814 16,815 7,816 0.161,817 10,819 1,820 4.227,821 216.94,823 16,824 130.606,826 20.879,827 10.632,828 6.076,830 120.513,831 10.244,832 4.431,833 3.13,836 4.26,838 95.368,839 561.516,840 36.5,842 12.118,845 -0.147,846 59.432,847 68.225,848 0.244,849 0.584,850 0.791,851 0.886,852 0.913,853 0.913,854 4.834,855 1.174,856 5.694,857 3.442,858 4.369,859 4.775,860 2.135,861 6.428,862 4.328,863 5.969,864 1.139,865 7.204,866 2.7,867 3.761,868 4.369,869 1.593,870 7.195,871 3.701,872 7.228,873 1,874 8.818,875 2.317,876 5.883,877 6.792,878 3.045,879 10.264,880 5.802,881 8.526,882 0.924,883 10.495,884 2.275,885 6.176,886 7.282,887 3.114,888 11.912,889 6.068,890 9.86,891 0.709,892 12.215,893 2.198,894 7.684,895 9.126,896 4.214,897 14.452,898 7.558,899 11.218,900 0.498,901 13.963,902 1.689,903 8.389,904 10.019,905 4.563,906 16.443,907 8.234,908 12.593,909 0.397,910 15.733,911 0.968,912 9.646,913 11.621,914 5.473,915 18.804,916 9.474,917 2.973,918 -0.231,919 17.517,920 0.846,921 10.547,922 12.721,923 5.966,924 20.94,925 10.345,926 2.931,927 9.645,928 19.313,929 -0.41,930 11.698,931 14.208,932 6.771,933 23.233,934 11.477,935 2.526,936 9.241,937 21.118,938 3.978,939 12.692,940 15.422,941 7.343,942 25.432,943 12.442,944 2.25,945 7.11,946 22.93,947 3.461,948 13.799,949 16.851,950 8.089,951 27.7,952 13.529,953 1.972,954 6.624,955 24.747,956 3.196,957 14.837,958 18.131,959 8.704,960 29.927,961 14.54,962 1.799,963 5.274,964 26.568,965 2.823,966 15.926,967 19.532,968 9.418,969 32.185,970 15.607,971 1.437,972 3.917,973 28.394,974 2.236,975 16.986,976 20.85,977 10.058,978 34.425,979 16.64,980 11271,981 16500,982 20.167,983 37.591,984 43.83,985 44.308,986 44.813,987 43.484,988 43.454,989 52.535,990 5.931,991 116.49,992 42.519,993 5.269,994 5.767,995 6.346,996 4.986,997 4.973,998 6.978,999 3.426,1000 16.16,1001 4.895,1002 12.692,1003 1.461,1004 1.477,1005 1.494,1006 1.449,1007 1.448,1008 1.751,1009 0.198,1010 3.883,1011 1.417,1012 4.038,1013 4.082,1014 3.986,1015 3.942,1016 7.428,1017 3.946,1018 3.876,1019 3.929,1020 3.79,1021 3.703,1022 6.449,1023 3.713,1024 3.803,1025 3.854,1026 3.708,1027 3.686,1028 5.011,1029 3.684,1030 3.71,1031 3.777,1032 3.555,1033 3.568,1034 4.667,1035 3.56,1036 3.465,1037 3.544,1038 3.308,1039 3.305,1040 4.29,1041 3.289,1042 3.38,1043 3.446,1044 3.235,1045 3.149,1046 4.201,1047 3.166,1048 3.108,1049 3.199,1050 2.919,1051 2.932,1052 4.007,1053 2.918,1054 2.986,1055 3.053,1056 2.793,1057 2.798,1058 3.949,1059 2.786,1060 0.144,1061 0.126,1062 0.213,1063 0.132,1064 0.099,1065 4.309,1066 0.133,1067 3.767,1068 0.065,1069 6.393,1070 0.321,1071 3.947,1072 0.097,1073 2.973,1074 3.978,1075 1.957,1076 9.645,1077 2.895,1078 1.94,1079 1.915,1080 2.052,1081 2.026,1082 1.387,1083 2.034,1084 1.793,1085 1.734,1086 2.036,1087 1.949,1088 1.198,1089 1.984,1090 1.626,1091 1.585,1092 1.867,1093 1.838,1094 1.161,1095 1.821,1096 1.601,1097 1.545,1098 1.815,1099 1.78,1100 1.14,1101 1.808,1102 1.499,1103 1.427,1104 1.72,1105 1.736,1106 0.937,1107 1.751,1108 1.399,1109 1.339,1110 1.622,1111 1.626,1112 0.842,1113 1.605,1114 1.292,1115 1.208,1116 1.54,1117 1.534,1118 0.738,1119 1.56,1120 1.097,1121 1.008,1122 1.363,1123 1.415,1124 0.514,1125 1.405,1126 4.111,1128 5.38,1129 3.045,1130 6.823,1131 5.283,1132 8.349,1133 7.261,1134 9.921,1135 2.233,1139 9.78,1140 9.124,1141 5.917,1143 -1.09,1148 34.89,1149 86.306,1150 206.888,1151 280.274,1152 314.149,1153 323.659,1154 323.659,1155 60.388,1156 7.208,1157 90.04,1158 90.04,1159 16,1160 12.228,1161 3.7,1162 2.907,1163 50.218,1164 141,1165 162,1166 0.171,1167 217.227,1168 376.02,1169 521.794,1170 14194,1172 19.769,1173 0.706,1174 0.597,1175 19.769,1176 16.708,1177 13.669,1178 0.456,1179 0.35,1180 10.395,1181 13.269,1182 10.181,1183 8.501,1184 13.669,1185 10.499,1186 11.55,1187 0.296,1188 0.196,1189 11.55,1190 7.64,1191 9.545,1192 0.195,1193 0.11,1194 9.545,1195 5.371,1196 7.521,1197 0.127,1198 0.061,1199 7.521,1200 3.607,1201 5.134,1202 0.083,1203 0.034,1204 5.134,1205 2.129,1206 0.283,1207 84.985,1208 0.223,1209 27.884,1210 0.433,1211 138,1212 344.529,1213 149.201,1214 335.211,1215 454.64,1216 314,1217 157,1218 328.459,1219 168.869,1220 331.932,1221 481.59,1222 314,1223 5.959} {0 CHEMBL1209388,1 1.53,2 13.852,3 2.183,4 4.763,5 101.173,6 6.773,7 0.379,8 4.088,9 4.219,10 3.559,11 3.561,12 5.124,13 3.531,14 4.656,15 4.85,16 3.878,17 3.953,18 5.63,19 3.885,20 4.94,21 5.195,22 3.853,23 4.023,24 5.895,25 3.914,26 4.913,27 5.176,28 3.79,29 3.911,30 5.985,31 3.818,32 4.762,33 5.021,34 3.625,35 3.804,36 5.731,37 3.714,38 4.61,39 4.842,40 3.571,41 3.758,42 5.566,43 3.661,44 4.599,45 4.847,46 3.572,47 3.741,48 5.567,49 3.644,50 4.564,51 4.794,52 3.453,53 3.708,54 5.529,55 3.594,56 0.091,57 0.798,58 12.907,59 5.039,60 12.454,61 7.145,62 0.234,63 1.256,64 23.712,65 8.374,66 28.653,67 12.363,68 0.445,69 1.412,70 33.03,71 10.28,72 56.915,73 15.653,74 0.587,75 1.319,76 32.889,77 8.652,78 86.405,79 13.864,80 0.447,81 1.147,82 28.185,83 7.578,84 56.038,85 11.855,86 0.261,87 1.04,88 23.468,89 7.621,90 38.194,91 11.259,92 0.295,93 1.053,94 23.249,95 7.283,96 38.783,97 11.015,98 0.317,99 1.003,100 22.429,101 7.069,102 36.393,103 10.623,104 15,105 38,106 0.256,107 0.595,108 0.789,109 0.866,110 0.878,111 0.878,112 3.339,113 1.012,114 -3.95,115 -3.9,116 -3.7,117 36.4,118 1,119 6,123 2,124 2,130 4,131 2,136 1,142 1,144 1,149 1,151 11,152 2,153 4,154 1,156 3,158 10,161 8,163 1,164 2,165 2,167 6,170 11,172 1,173 1,174 3,176 3,179 9,183 2,185 4,188 6,191 3,193 6,196 4,197 2,199 4,200 8,203 1,204 1,205 3,206 8,208 2,213 2,214 7,216 1197,217 18.491,218 18.491,219 18.491,220 18.491,221 18.491,222 17.106,223 16.585,224 11.322,225 18.706,226 14.281,227 14.281,228 14.281,229 14.281,230 14.281,231 12.097,232 18.297,233 5.351,234 14.631,235 4.251,236 2.215,237 1.054,238 0.596,239 0.523,240 0.523,241 4.021,243 1,244 1,245 1,246 787,247 3.606,250 180.355,251 98.255,256 2.598,257 28.47,258 1,259 1,260 1,261 0.83,262 1,263 1,264 1,265 1,266 0.98,267 59,268 374,269 4.309,270 3.767,271 6.393,272 3.947,273 2.973,274 3.978,275 1.957,276 9.645,277 2.889,278 4.077,279 2.988,280 6.187,281 3.898,282 2.931,283 3.461,284 0.589,285 9.241,286 2.838,287 3.897,288 2.785,289 5.391,290 3.509,291 2.526,292 3.196,293 0.42,294 7.11,295 2.479,296 3.528,297 2.696,298 5.246,299 3.233,300 2.25,301 2.823,303 6.624,304 2.211,305 3.2,306 2.432,307 4.88,308 2.96,309 1.972,310 2.236,312 5.274,313 1.932,314 2.846,315 1.749,316 4.248,317 2.734,318 1.737,319 1.923,321 3.906,322 1.731,323 2.662,324 1.617,325 3.748,326 2.355,327 1.384,328 1.681,330 3.258,331 1.342,332 2.5,333 1.511,334 3.697,335 2.053,336 1.144,337 1.5,339 2.697,340 1.035,341 2.205,342 1.216,343 3.414,344 2,345 1,346 1.149,347 2.275,348 1,349 2.149,350 1.14,351 3.399,352 1.985,353 1,354 1.102,355 2.221,356 0.984,357 2.034,358 1,359 3.28,360 1.869,361 0.904,362 0.973,363 1.871,364 0.869,365 1.968,366 0.953,367 3.055,368 1.659,369 0.693,370 0.94,371 1.614,372 0.667,373 1.724,374 0.696,375 2.959,376 1.402,377 0.403,378 0.486,379 0.943,380 0.398,381 1.217,382 0.204,383 2.445,384 1.133,385 0.145,386 0.153,387 0.244,388 0.143,389 0.959,390 0.095,391 2.237,392 0.597,393 -0.394,394 -0.483,395 -0.911,396 -0.388,397 12.6,398 0.467,399 0.503,400 0.019,401 28.75,402 1.065,403 11.5,404 0.426,405 17.25,406 0.639,407 24.915,408 0.923,409 31.2,410 0.567,411 20.143,412 0.746,413 5.265,414 0.195,415 7.904,416 0.293,417 0.093,419 0.278,420 0.783,421 1.38,422 0.894,423 1.204,424 0.722,425 1.085,426 0.693,427 1.298,428 0.944,429 1.235,430 0.649,431 1.144,432 0.913,433 1.058,434 0.926,435 1.029,436 0.993,437 0.991,438 1.212,439 0.995,440 0.992,441 0.887,442 1.244,443 0.893,444 1.458,445 0.826,446 1.081,447 0.788,448 1.327,449 0.848,450 1.171,451 1.099,452 1.024,453 1.057,454 1.073,455 1.03,456 0.971,457 0.941,458 0.981,459 0.97,460 0.866,461 0.969,462 1.155,463 1.098,464 1.201,465 1.127,466 0.884,467 1.166,468 4.5,469 0.12,470 2.889,471 1.222,472 0.967,473 0.702,474 0.371,475 0.262,476 0.211,477 0.148,478 10269,479 23950,480 2.057,481 50.9,482 11,483 10,486 3,487 2,489 2,490 1.693,491 1.952,492 3.721,493 0.945,494 1,495 1,497 84.175,498 1.53,499 3.566,500 4.727,501 5.186,502 5.259,503 5.259,504 3.236,505 4.607,506 4.719,507 3.935,508 1381.03,509 8.152,510 19295.8,511 1,512 1,513 317.975,514 1.277,515 4.698,516 0.155,517 0.006,518 0.076,519 0.035,520 0.03,521 0.025,522 0.014,523 0.01,524 0.009,525 0.008,526 0.368,527 0.33,528 1,529 1.409,530 138.838,531 0.028,532 -0.055,533 0.04,534 0.008,535 -0.026,536 0.021,537 0.105,538 -0.121,540 -0.13,541 0.045,542 -0.093,543 0.051,544 -0.076,545 0.053,546 -0.038,547 0.016,548 -0.003,549 -0.013,550 -0.033,551 0.031,552 0.029,553 0.053,554 0.039,555 -0.233,556 0.155,557 -0.056,558 0.135,559 -0.142,560 0.085,561 -0.127,562 -0.09,563 -0.044,564 -0.026,565 -0.076,566 -0.024,567 -0.047,568 0.103,569 -0.005,570 0.024,571 -0.034,572 0.019,573 -0.132,574 -0.049,575 -0.221,576 -0.111,577 -0.1,578 -0.172,579 1.943,580 5.082,581 0.593,582 34.074,583 1,584 1.138,585 2.715,586 7.373,587 0.628,588 3.401,589 3.664,590 3.892,591 4.078,592 4.127,593 4.19,594 4.263,595 4.331,596 4.454,597 4.477,598 8.019,599 0.592,600 372.52,601 3.401,602 4.905,603 5.727,604 6.569,605 7.408,606 8.258,607 9.104,608 9.957,609 10.808,610 11.663,611 7.3,613 1,617 1,620 2,623 4,624 2,626 1,628 4,630 11,638 55,639 12,640 1,641 29,642 57,643 20,644 8,645 2,646 4,648 3,649 3,652 1,655 3,657 8,659 9,660 11,662 1,664 1,667 1,668 1,669 1,670 28,671 7,672 3,673 7,677 4,681 1,682 3,684 1,689 1,692 2,693 1,700 1,705 1,708 1,710 3,712 1,715 27,717 1,718 8,719 2,721 2,731 5.5,732 1,734 1,736 1,737 13.833,738 9.683,739 6.167,740 3.708,741 2.068,742 1.29,743 0.917,744 7.247,745 9.2,746 3.597,747 4.073,748 4.555,749 5.037,750 5.386,751 5.657,752 5.988,753 6.308,754 6.651,755 6.726,756 1,757 35,758 10.05,759 4.226,760 7.741,761 19.413,762 15.875,763 2.241,764 60.5,768 294.278,769 84.573,770 72.404,772 77.562,774 84.573,775 371.84,776 72.404,777 8.825,778 37.429,779 98.599,780 71.252,781 18.433,783 294.278,785 294.278,786 156.976,787 77.562,790 273.063,791 58.421,792 42.683,793 69.285,794 48.981,795 36.382,797 294.278,798 149.966,799 84.573,801 294.278,802 37.842,803 46.73,804 36.022,805 113.945,806 294.278,807 149.966,808 84.573,810 0.563,811 0.324,812 0.166,813 0.077,814 16,815 7,816 0.158,817 9,819 1,820 4.109,821 208.328,823 16,824 124.382,826 19.842,827 9.861,828 5.534,830 149.966,831 7.725,832 8.517,834 5.327,836 3.138,838 78.705,839 528.816,840 35.5,842 12.082,845 -0.171,846 54.992,847 62.604,848 0.265,849 0.617,850 0.818,851 0.897,852 0.91,853 0.91,854 4.81,855 1.144,856 5.673,857 3.258,858 4.344,859 4.758,860 2.135,861 6.415,862 4.294,863 5.951,864 1,865 7.189,866 2.697,867 3.761,868 4.369,869 1.593,870 7.195,871 3.687,872 7.214,873 1,874 8.807,875 2.275,876 5.866,877 6.786,878 3.045,879 10.261,880 5.765,881 8.515,882 0.904,883 10.488,884 2.221,885 6.176,886 7.282,887 3.114,888 11.912,889 6.041,890 9.852,891 0.693,892 12.21,893 1.871,894 7.675,895 9.124,896 4.214,897 14.451,898 7.516,899 11.212,900 0.403,901 13.961,902 1.614,903 8.389,904 10.019,905 4.563,906 16.443,907 8.192,908 12.589,909 0.145,910 15.731,911 0.943,912 9.642,913 11.621,914 5.473,915 18.804,916 9.422,917 2.973,918 -0.394,919 17.516,920 0.244,921 10.547,922 12.721,923 5.966,924 20.94,925 10.289,926 2.931,927 9.645,928 19.313,929 -0.911,930 11.696,931 14.208,932 6.771,933 23.233,934 11.413,935 2.526,936 9.241,937 21.118,938 3.978,939 12.692,940 15.422,941 7.343,942 25.432,943 12.372,944 2.25,945 7.11,946 22.929,947 3.461,948 13.798,949 16.851,950 8.089,951 27.7,952 13.451,953 1.972,954 6.624,955 24.747,956 3.196,957 14.837,958 18.131,959 8.704,960 29.927,961 14.456,962 1.737,963 5.274,964 26.568,965 2.823,966 15.926,967 19.532,968 9.418,969 32.185,970 15.516,971 1.384,972 3.906,973 28.394,974 2.236,975 16.986,976 20.85,977 10.058,978 34.425,979 16.543,980 10028,981 15519,982 19.474,983 34.523,984 42.371,985 42.915,986 43.655,987 42.153,988 42.121,989 51.199,990 5.931,991 113.847,992 41.038,993 5.269,994 5.767,995 6.329,996 4.987,997 4.973,998 6.978,999 3.426,1000 16.16,1001 4.889,1002 12.317,1003 1.461,1004 1.48,1005 1.505,1006 1.454,1007 1.452,1008 1.765,1009 0.205,1010 3.926,1011 1.415,1012 4.005,1013 4.038,1014 3.96,1015 3.904,1016 7.428,1017 3.907,1018 3.868,1019 3.917,1020 3.784,1021 3.688,1022 6.449,1023 3.7,1024 3.789,1025 3.839,1026 3.698,1027 3.65,1028 5.287,1029 3.646,1030 3.656,1031 3.713,1032 3.513,1033 3.453,1034 4.694,1035 3.472,1036 3.416,1037 3.485,1038 3.297,1039 3.222,1040 4.29,1041 3.221,1042 3.32,1043 3.392,1044 3.138,1045 3.086,1046 4.189,1047 3.103,1048 3.025,1049 3.086,1050 2.883,1051 2.859,1052 4.016,1053 2.855,1054 2.903,1055 2.997,1056 2.702,1057 2.735,1058 3.907,1059 2.715,1060 0.149,1061 0.13,1062 0.22,1063 0.136,1064 0.103,1065 4.309,1066 0.137,1067 3.767,1068 0.067,1069 6.393,1070 0.333,1071 3.947,1072 0.1,1073 2.973,1074 3.978,1075 1.957,1076 9.645,1077 2.889,1078 1.928,1079 1.901,1080 2.037,1081 2.017,1082 1.359,1083 2.024,1084 1.77,1085 1.71,1086 2.023,1087 1.936,1088 1.185,1089 1.968,1090 1.616,1091 1.579,1092 1.815,1093 1.831,1094 1.154,1095 1.813,1096 1.519,1097 1.454,1098 1.798,1099 1.736,1100 1.051,1101 1.752,1102 1.493,1103 1.42,1104 1.714,1105 1.727,1106 0.933,1107 1.745,1108 1.296,1109 1.236,1110 1.505,1111 1.534,1112 0.703,1113 1.523,1114 1.141,1115 1.069,1116 1.46,1117 1.428,1118 0.653,1119 1.429,1120 0.97,1121 0.905,1122 1.181,1123 1.308,1124 0.282,1125 1.248,1126 4.078,1128 5.352,1129 3.045,1130 6.801,1131 5.283,1132 8.332,1133 7.261,1134 9.909,1135 2.189,1139 9.756,1140 7.198,1141 5.865,1143 -1.124,1148 32.552,1149 84.175,1150 196.126,1151 260.001,1152 285.22,1153 289.22,1154 289.22,1155 58.018,1156 7.132,1157 100.28,1158 100.28,1159 16,1160 12.218,1161 3.7,1162 2.907,1163 47.467,1164 131,1165 145,1166 0.177,1167 202.039,1168 350.21,1169 484.734,1170 12665,1172 19.062,1173 0.706,1174 0.584,1175 19.062,1176 15.779,1177 13.169,1178 0.454,1179 0.337,1180 9.654,1181 12.653,1182 9.478,1183 7.897,1184 13.169,1185 9.781,1186 11.196,1187 0.295,1188 0.185,1189 11.196,1190 7.025,1191 9.295,1192 0.194,1193 0.101,1194 9.295,1195 4.863,1196 7.344,1197 0.127,1198 0.055,1199 7.344,1200 3.204,1201 5.009,1202 0.082,1203 0.03,1204 5.009,1205 1.844,1206 0.29,1207 82.848,1208 0.227,1209 26.932,1210 0.45,1211 134,1212 389.577,1213 149.243,1214 369.988,1215 500.28,1216 346,1217 153,1218 367.848,1219 169.022,1220 364.297,1221 529.75,1222 344,1223 7.31} {0 CHEMBL1209460,1 1.553,2 13.115,3 1.726,4 2.98,5 96.572,6 6.894,7 0.393,8 4.038,9 4.168,10 3.525,11 3.509,12 5.092,13 3.485,14 4.6,15 4.791,16 3.85,17 3.9,18 5.596,19 3.84,20 4.879,21 5.128,22 3.824,23 3.966,24 5.861,25 3.866,26 4.85,27 5.107,28 3.758,29 3.847,30 5.954,31 3.766,32 4.688,33 4.941,34 3.588,35 3.732,36 5.691,37 3.656,38 4.524,39 4.745,40 3.532,41 3.683,42 5.524,43 3.6,44 4.512,45 4.749,46 3.496,47 3.675,48 5.508,49 3.582,50 4.486,51 4.721,52 3.367,53 3.651,54 5.432,55 3.524,56 0.097,57 0.759,58 12.022,59 4.704,60 12.404,61 6.622,62 0.243,63 1.194,64 22.17,65 7.811,66 28.721,67 11.475,68 0.455,69 1.336,70 31.059,71 9.576,72 56.872,73 14.523,74 0.599,75 1.242,76 30.965,77 7.96,78 86.276,79 12.733,80 0.458,81 1.071,82 26.25,83 6.865,84 55.716,85 10.696,86 0.267,87 0.963,88 21.439,89 6.895,90 37.607,91 10.094,92 0.319,93 0.98,94 21.223,95 6.635,96 38.015,97 9.908,98 0.256,99 0.937,100 20.43,101 6.911,102 30.915,103 10.272,104 14,105 37,106 0.262,107 0.616,108 0.811,109 0.876,110 0.876,111 0.876,112 3.303,113 0.994,114 -3.72,115 -3.68,116 -3.5,117 36.5,118 1,119 5,123 2,124 2,130 4,131 2,136 1,142 1,144 1,149 1,151 10,152 2,153 4,154 1,156 3,158 9,161 8,163 1,164 2,165 2,167 5,170 11,172 1,173 1,174 3,176 2,179 9,183 2,185 3,188 6,191 3,193 6,196 2,197 2,199 4,200 8,204 1,205 3,206 8,208 2,213 2,214 6,216 1010,217 17.784,218 17.784,219 17.784,220 17.784,221 17.784,222 16.399,223 16.585,224 10.822,225 17.999,226 13.781,227 13.781,228 13.781,229 13.781,230 13.781,231 11.597,232 18.297,233 5.101,234 14.131,235 4.148,236 2.052,237 0.899,238 0.515,239 0.515,240 0.515,241 3.985,243 1,244 1,245 1,246 720,247 3.464,250 171.817,251 93.527,256 2.432,257 28.177,258 1,259 1,260 1,261 1,262 1,263 1,264 1,265 1,266 1,267 57,268 341,269 4.309,270 3.767,271 6.393,272 3.947,273 2.973,274 3.978,275 1.957,276 9.645,277 2.889,278 4.077,279 2.988,280 6.187,281 3.898,282 2.931,283 3.461,284 0.589,285 9.241,286 2.838,287 3.897,288 2.785,289 5.391,290 3.509,291 2.526,292 3.196,293 0.42,294 7.11,295 2.479,296 3.528,297 2.696,298 5.246,299 3.233,300 2.249,301 2.823,303 6.624,304 2.211,305 3.2,306 2.432,307 4.88,308 2.96,309 1.971,310 2.236,312 5.274,313 1.932,314 2.827,315 1.679,316 4.247,317 2.644,318 1.65,319 1.914,321 3.891,322 1.64,323 2.567,324 1.617,325 3.746,326 2.296,327 1.328,328 1.573,330 2.97,331 1.282,332 2.5,333 1.45,334 3.579,335 2.052,336 1.143,337 1.5,339 2.692,340 1.034,341 2.193,342 1.215,343 3.414,344 2,345 1,346 1.148,347 2.275,348 1,349 2.149,350 1.114,351 3.399,352 1.894,353 0.932,354 1.06,355 2.215,356 0.893,357 1.97,358 1,359 3.273,360 1.727,361 0.741,362 0.94,363 1.716,364 0.729,365 1.752,366 0.743,367 2.987,368 1.585,369 0.618,370 0.693,371 1.127,372 0.596,373 1.709,374 0.618,375 2.771,376 1.4,377 0.4,378 0.481,379 0.926,380 0.395,381 0.975,382 0.115,383 2.381,384 0.697,385 -0.29,386 -0.315,387 -0.513,388 -0.285,389 0.746,390 -0.103,391 2.097,392 0.558,393 -0.434,394 -0.522,395 -0.972,396 -0.427,397 12.1,398 0.465,399 0.503,400 0.019,401 28.25,402 1.087,403 11.5,404 0.442,405 16.75,406 0.644,407 23.17,408 0.891,409 29.9,410 0.575,411 19.834,412 0.763,413 5.265,414 0.202,415 7.404,416 0.285,417 0.096,419 0.289,420 0.785,421 1.374,422 0.875,423 1.189,424 0.725,425 1.066,426 0.698,427 1.289,428 0.927,429 1.219,430 0.654,431 1.126,432 0.93,433 1.063,434 0.931,435 1.032,436 1.011,437 0.994,438 1.239,439 0.997,440 1.002,441 0.88,442 1.272,443 0.889,444 1.509,445 0.818,446 1.102,447 0.77,448 1.373,449 0.838,450 1.225,451 1.115,452 1.045,453 1.064,454 1.105,455 1.037,456 1.053,457 0.905,458 1.074,459 0.969,460 0.93,461 1.009,462 0.862,463 1.134,464 1.133,465 1.212,466 0.786,467 1.22,468 4.5,469 0.12,470 2.889,471 1.222,472 0.967,473 0.702,474 0.371,475 0.262,476 0.18,477 0.148,478 9124,479 22079,480 2.059,481 50,482 9,483 10,486 3,487 2,489 2,490 1.683,491 1.95,492 3.648,493 0.974,494 1,495 1,497 80.746,498 1.553,499 3.648,500 4.801,501 5.186,502 5.186,503 5.186,504 3.142,505 4.027,506 4.666,507 3.858,508 1253.86,509 8.046,510 16823.6,511 1,512 1,513 296.423,514 1.3,515 4.642,516 0.161,517 0.007,518 0.078,519 0.036,520 0.031,521 0.026,522 0.014,523 0.01,524 0.009,525 0.008,526 0.38,527 0.33,528 1,529 1.263,530 131.482,531 0.021,532 -0.058,533 0.039,534 0.01,535 -0.033,536 0.023,537 0.101,538 -0.115,539 0.007,540 -0.123,541 0.039,542 -0.085,543 0.041,544 -0.081,545 0.047,546 -0.043,547 0.005,548 -0.008,549 -0.029,550 -0.035,551 0.023,552 0.031,553 0.038,554 0.039,555 -0.261,556 0.167,557 -0.073,558 0.146,559 -0.164,560 0.088,561 -0.152,562 -0.098,563 -0.065,564 -0.032,565 -0.079,566 -0.035,567 -0.108,568 0.158,569 -0.102,570 0.027,571 -0.079,572 -0.026,573 -0.047,574 -0.095,575 -0.191,576 -0.17,577 -0.063,578 -0.201,579 1.942,580 5.062,581 0.615,582 30.361,583 1.002,584 1.138,585 2.488,586 6.19,587 0.63,588 3.367,589 3.638,590 3.871,591 4.06,592 4.111,593 4.174,594 4.234,595 4.304,596 4.419,597 4.419,598 7.633,599 0.597,600 358.49,601 3.367,602 4.875,603 5.7,604 6.547,605 7.388,606 8.241,607 9.089,608 9.945,609 10.797,610 11.654,611 7.7,613 1,617 1,620 2,623 4,624 2,626 1,628 4,630 11,638 52,639 12,640 1,641 28,642 54,643 19,644 8,645 2,646 4,648 3,649 3,652 1,655 3,657 7,659 9,660 10,662 1,664 1,667 1,668 1,669 1,670 26,671 7,672 3,673 7,677 4,681 1,682 3,684 1,689 1,692 2,693 1,700 1,705 1,708 1,710 3,712 1,715 26,717 1,718 7,719 2,721 2,731 5.8,732 1,734 1,736 1,737 13.333,738 9.183,739 5.917,740 3.458,741 2.057,742 1.292,743 0.918,744 6.641,745 9.109,746 3.57,747 4.056,748 4.545,749 5.03,750 5.382,751 5.653,752 5.98,753 6.3,754 6.639,755 6.702,756 0.889,757 34,758 9.67,759 4.081,760 7.769,761 18.596,762 15.209,763 2.269,764 59,768 270.735,769 82.038,770 72.404,772 77.562,774 82.038,775 348.298,776 72.404,777 8.825,778 34.895,779 98.599,780 71.252,781 18.433,783 270.735,785 270.735,786 154.442,787 77.562,790 249.521,791 58.421,792 42.683,793 66.751,794 48.981,795 36.382,797 270.735,798 149.966,799 82.038,801 270.735,802 35.308,803 46.73,804 36.022,805 113.945,806 270.735,807 149.966,808 82.038,810 0.565,811 0.326,812 0.168,813 0.079,814 16,815 7,816 0.148,817 8,819 1,820 3.992,821 199.663,823 16,824 118.211,826 18.869,827 9.151,828 5.062,830 149.966,831 7.706,832 8.471,834 5.293,836 3.123,838 78.705,839 502.739,840 34.5,842 12.062,845 -0.172,846 52.109,847 59.189,848 0.272,849 0.64,850 0.842,851 0.91,852 0.91,853 0.91,854 4.785,855 1.143,856 5.652,857 2.97,858 4.317,859 4.741,860 2.135,861 6.402,862 4.266,863 5.933,864 1,865 7.174,866 2.692,867 3.761,868 4.369,869 1.593,870 7.195,871 3.687,872 7.2,873 0.932,874 8.797,875 2.275,876 5.849,877 6.779,878 3.045,879 10.257,880 5.746,881 8.505,882 0.741,883 10.481,884 2.215,885 6.176,886 7.282,887 3.114,888 11.912,889 6.041,890 9.845,891 0.618,892 12.206,893 1.716,894 7.665,895 9.121,896 4.214,897 14.451,898 7.505,899 11.207,900 0.4,901 13.958,902 1.127,903 8.389,904 10.019,905 4.563,906 16.443,907 8.192,908 12.585,909 -0.29,910 15.729,911 0.926,912 9.637,913 11.62,914 5.473,915 18.804,916 9.416,917 2.973,918 -0.434,919 17.515,920 -0.513,921 10.547,922 12.721,923 5.966,924 20.94,925 10.289,926 2.931,927 9.645,928 19.312,929 -0.972,930 11.694,931 14.208,932 6.771,933 23.233,934 11.41,935 2.526,936 9.241,937 21.117,938 3.978,939 12.692,940 15.422,941 7.343,942 25.432,943 12.372,944 2.249,945 7.11,946 22.929,947 3.461,948 13.797,949 16.851,950 8.089,951 27.7,952 13.45,953 1.971,954 6.624,955 24.746,956 3.196,957 14.837,958 18.131,959 8.704,960 29.927,961 14.456,962 1.65,963 5.274,964 26.568,965 2.823,966 15.925,967 19.532,968 9.418,969 32.185,970 15.515,971 1.328,972 3.891,973 28.394,974 2.236,975 16.985,976 20.85,977 10.058,978 34.425,979 16.543,980 8897,981 14009,982 18.781,983 32.762,984 41.32,985 41.797,986 42.313,987 40.939,988 40.92,989 50.003,990 5.931,991 111.412,992 39.836,993 5.269,994 5.767,995 6.303,996 4.987,997 4.973,998 6.978,999 3.426,1000 16.16,1001 4.889,1002 11.934,1003 1.476,1004 1.493,1005 1.511,1006 1.462,1007 1.461,1008 1.786,1009 0.212,1010 3.979,1011 1.423,1012 4.005,1013 4.037,1014 3.959,1015 3.903,1016 7.428,1017 3.907,1018 3.868,1019 3.917,1020 3.784,1021 3.688,1022 6.449,1023 3.7,1024 3.782,1025 3.828,1026 3.696,1027 3.632,1028 5.287,1029 3.632,1030 3.616,1031 3.677,1032 3.466,1033 3.408,1034 4.694,1035 3.427,1036 3.399,1037 3.462,1038 3.29,1039 3.179,1040 4.29,1041 3.19,1042 3.22,1043 3.303,1044 3.025,1045 3.014,1046 4.169,1047 3.016,1048 2.998,1049 3.056,1050 2.847,1051 2.808,1052 4.015,1053 2.809,1054 2.888,1055 2.959,1056 2.701,1057 2.735,1058 3.843,1059 2.715,1060 0.154,1061 0.135,1062 0.228,1063 0.141,1064 0.106,1065 4.309,1066 0.142,1067 3.767,1068 0.07,1069 6.393,1070 0.344,1071 3.947,1072 0.103,1073 2.973,1074 3.978,1075 1.957,1076 9.645,1077 2.889,1078 1.928,1079 1.901,1080 2.035,1081 2.017,1082 1.323,1083 2.024,1084 1.747,1085 1.686,1086 2.004,1087 1.918,1088 1.185,1089 1.948,1090 1.616,1091 1.579,1092 1.815,1093 1.831,1094 1.154,1095 1.813,1096 1.496,1097 1.423,1098 1.723,1099 1.735,1100 0.941,1101 1.749,1102 1.435,1103 1.37,1104 1.711,1105 1.663,1106 0.931,1107 1.677,1108 1.289,1109 1.23,1110 1.5,1111 1.534,1112 0.699,1113 1.521,1114 1.008,1115 0.926,1116 1.321,1117 1.332,1118 0.483,1119 1.302,1120 0.951,1121 0.894,1122 1.181,1123 1.283,1124 0.218,1125 1.247,1126 4.043,1128 5.323,1129 3.045,1130 6.779,1131 5.283,1132 8.315,1133 7.261,1134 9.896,1135 2.162,1139 9.743,1140 5.878,1141 5.857,1143 -1.123,1148 31.025,1149 80.746,1150 189.712,1151 249.668,1152 269.668,1153 269.668,1154 269.668,1155 54.333,1156 7.052,1157 100.28,1158 100.28,1159 16,1160 12.207,1161 3.7,1162 2.907,1163 44.79,1164 122,1165 128,1166 0.182,1167 192.446,1168 332.91,1169 461.329,1170 11233,1172 18.355,1173 0.706,1174 0.58,1175 18.355,1176 15.072,1177 12.669,1178 0.452,1179 0.331,1180 9.154,1181 12.153,1182 8.988,1183 7.48,1184 12.669,1185 9.281,1186 10.842,1187 0.293,1188 0.18,1189 10.842,1190 6.671,1191 9.045,1192 0.192,1193 0.098,1194 9.045,1195 4.613,1196 7.167,1197 0.126,1198 0.053,1199 7.167,1200 3.028,1201 4.875,1202 0.081,1203 0.028,1204 4.875,1205 1.704,1206 0.298,1207 79.848,1208 0.231,1209 25.977,1210 0.467,1211 130,1212 385.577,1213 145.243,1214 365.826,1215 494.52,1216 342,1217 149,1218 363.848,1219 165.022,1220 360.136,1221 523.99,1222 340,1223 6.367} {0 CHEMBL1209461,1 1.55,2 12.519,3 1.817,4 3.302,5 99.344,6 6.991,7 0.367,8 4.073,9 4.198,10 3.582,11 3.567,12 5.1,13 3.545,14 4.659,15 4.839,16 3.938,17 4.001,18 5.629,19 3.94,20 4.982,21 5.228,22 3.932,23 4.093,24 5.925,25 3.986,26 4.963,27 5.225,28 3.854,29 3.935,30 6.036,31 3.855,32 4.736,33 4.988,34 3.653,35 3.765,36 5.749,37 3.703,38 4.484,39 4.689,40 3.548,41 3.712,42 5.492,43 3.633,44 4.497,45 4.722,46 3.546,47 3.752,48 5.47,49 3.65,50 4.573,51 4.805,52 3.446,53 3.765,54 5.488,55 3.626,56 0.097,57 0.79,58 12.15,59 4.928,60 12.008,61 6.795,62 0.236,63 1.299,64 22.978,65 8.591,66 28.556,67 12.287,68 0.435,69 1.523,70 34.07,71 11.154,72 56.047,73 16.574,74 0.671,75 1.399,76 34.937,77 8.982,78 91.379,79 14.133,80 0.535,81 1.144,82 27.757,83 6.851,84 60.227,85 10.619,86 0.263,87 0.977,88 20.227,89 6.81,90 35.387,91 9.683,92 0.224,93 1.023,94 20.2,95 7.351,96 31.461,97 10.567,98 0.235,99 1.038,100 22.008,101 8.097,102 31.173,103 11.705,104 5,105 41,106 0.26,107 0.599,108 0.752,109 0.829,110 0.846,111 0.846,112 3.339,113 0.983,114 -3.95,115 -3.9,116 -3.7,117 37.7,119 6,120 1,123 2,124 2,130 4,131 2,136 1,142 1,144 1,149 1,151 12,152 2,153 4,154 1,156 3,158 12,161 10,163 1,164 2,165 2,167 6,170 14,172 1,173 1,174 3,176 1,179 10,183 2,185 4,188 4,191 3,193 9,196 1,197 2,199 4,200 12,204 1,205 3,206 10,208 2,213 2,214 5,216 1091,217 18.568,218 18.568,219 18.568,220 18.568,221 18.568,222 17.208,223 17.798,224 11.049,225 18.78,226 14.803,227 14.803,228 14.803,229 14.803,230 14.803,231 12.65,232 19.768,233 5.24,234 15.148,235 4.177,236 2.155,237 1.241,238 0.783,239 0.679,240 0.679,241 4.037,243 1,244 1,245 1,246 742,247 2.915,250 170.939,251 191.901,256 2.277,257 28.917,258 1,259 1,260 1,261 1,262 1,263 1,264 1,265 1,266 1,267 59,268 338,269 4.34,270 3.767,271 6.393,272 3.971,273 3.001,274 3.996,275 1.957,276 9.645,277 2.913,278 4.08,279 3.138,280 6.289,281 3.943,282 2.969,283 3.503,284 0.589,285 9.572,286 2.884,287 3.977,288 2.846,289 5.995,290 3.694,291 2.701,292 3.199,293 0.42,294 8.557,295 2.682,296 3.66,297 2.748,298 5.335,299 3.384,300 2.402,301 2.926,303 6.927,304 2.356,305 3.215,306 2.568,307 4.883,308 2.98,309 1.996,310 2.285,312 5.293,313 1.949,314 3.114,315 1.916,316 4.629,317 2.859,318 1.867,319 2.206,321 4.932,322 1.848,323 2.67,324 1.617,325 4.094,326 2.416,327 1.435,328 1.703,330 3.519,331 1.405,332 2.5,333 1.527,334 3.745,335 2.053,336 1.145,337 1.5,339 2.71,340 1.035,341 2.236,342 1.22,343 3.466,344 2,345 1,346 1.171,347 2.451,348 1,349 2.149,350 1.166,351 3.414,352 2,353 1,354 1.141,355 2.275,356 1,357 2.077,358 1,359 3.398,360 1.973,361 1,362 1,363 2.192,364 0.971,365 2,366 1,367 3.263,368 1.842,369 0.875,370 0.952,371 2.136,372 0.843,373 1.967,374 0.904,375 3.247,376 1.622,377 0.667,378 0.939,379 1.635,380 0.635,381 1.722,382 0.669,383 2.978,384 1.399,385 0.399,386 0.482,387 0.937,388 0.394,389 0.966,390 0.11,391 2.469,392 0.598,393 -0.392,394 -0.481,395 -0.929,396 -0.385,397 12.6,398 0.467,399 0.554,400 0.021,401 29.25,402 1.083,403 11.5,404 0.426,405 17.75,406 0.657,407 24.928,408 0.923,409 30.6,410 0.577,411 20.263,412 0.75,413 5.236,414 0.194,415 7.968,416 0.295,417 0.053,419 0.317,420 0.772,421 1.309,422 0.848,423 1.134,424 0.696,425 1.022,426 0.677,427 1.271,428 0.943,429 1.223,430 0.628,431 1.141,432 0.841,433 1.116,434 0.931,435 1.101,436 0.918,437 1.047,438 1.314,439 0.985,440 0.999,441 0.852,442 1.224,443 0.862,444 1.716,445 0.755,446 1.149,447 0.672,448 1.45,449 0.775,450 1.283,451 1.076,452 1.131,453 1.053,454 1.197,455 1.069,456 0.735,457 0.968,458 1.009,459 1.087,460 0.83,461 1.089,462 0.737,463 1.159,464 1.1,465 1.262,466 0.71,467 1.254,468 4.5,469 0.091,470 3.333,471 1.188,472 0.963,473 0.851,474 0.376,475 0.178,476 0.204,477 0.165,478 10628,479 24523,480 2.142,481 49.1,482 10,483 10,486 3,487 1,489 2,490 1.693,491 2.051,492 3.597,493 0.945,494 1,495 1,497 82.175,498 1.55,499 3.573,500 4.487,501 4.945,502 5.049,503 5.049,504 3.115,505 4.459,506 4.726,507 3.816,508 1339.44,509 8.16,510 18220.7,511 1,512 1,513 303.58,514 1.218,515 4.706,516 0.15,517 0.005,518 0.081,519 0.031,520 0.028,521 0.029,522 0.014,523 0.007,524 0.009,525 0.009,526 0.364,527 0.33,528 1,529 0.454,530 137.387,531 0.021,532 -0.02,533 0.048,534 0.04,535 -0.014,536 0.046,537 0.09,538 -0.098,539 -0.026,540 -0.125,541 0.04,542 -0.103,543 0.064,544 -0.136,545 0.036,546 -0.1,547 0.026,548 -0.05,549 -0.047,550 -0.042,551 0.039,552 0.043,553 0.035,554 0.057,555 -0.33,556 0.237,557 -0.097,558 0.208,559 -0.201,560 0.122,561 -0.21,562 -0.019,563 -0.161,564 -0.014,565 -0.127,566 -0.071,567 -0.015,568 0.113,569 -0.081,570 -0.036,571 -0.04,572 -0.064,573 -0.004,574 -0.148,575 -0.173,576 -0.202,577 -0.044,578 -0.218,579 1.941,580 5.105,581 0.815,582 29.712,583 1.002,584 1.136,585 2.715,586 7.373,587 0.637,588 3.434,589 3.738,590 4.007,591 4.22,592 4.317,593 4.369,594 4.466,595 4.543,596 4.682,597 4.745,598 7.529,599 0.604,600 370.5,601 3.434,602 4.963,603 5.808,604 6.668,605 7.525,606 8.388,607 9.248,608 10.113,609 10.975,610 11.841,611 7.5,613 1,617 1,620 2,623 4,624 2,626 1,628 4,630 11,638 53,639 12,640 1,641 30,642 56,643 20,644 8,645 2,646 4,648 4,649 4,655 8,656 1,657 8,659 9,660 11,661 1,662 1,664 1,667 1,668 1,669 1,670 26,671 7,672 3,673 7,677 4,681 1,682 3,684 1,689 1,692 2,693 2,700 1,705 1,708 1,710 4,715 27,717 1,718 8,719 2,721 3,731 5.7,732 1,734 1,736 1,737 13.167,738 9.017,739 5.944,740 3.5,741 2.111,742 1.283,743 0.94,744 5.745,745 9.562,746 3.624,747 4.123,748 4.626,749 5.115,750 5.485,751 5.781,752 6.122,753 6.451,754 6.818,755 6.977,756 1,757 38,758 10.073,759 4.392,760 7.716,761 19.572,762 16.751,763 2.216,764 59.833,768 270.735,769 75.747,770 72.404,772 77.562,774 75.747,775 348.298,776 72.404,778 37.429,779 98.599,780 71.252,781 18.433,783 270.735,785 270.735,786 148.151,787 77.562,790 249.521,791 58.421,792 42.683,793 60.46,794 48.981,795 36.382,797 270.735,798 149.966,799 75.747,801 270.735,802 37.842,803 37.905,804 36.022,805 113.945,806 270.735,807 149.966,808 75.747,810 0.578,811 0.341,812 0.179,813 0.085,814 20,815 8,816 0.089,817 5,819 1,820 4.102,821 221.935,823 22,824 120.382,826 18.454,827 8.406,828 4.333,830 149.966,831 7.787,832 8.719,834 5.486,836 3.257,838 78.705,839 496.449,840 36.5,842 12.105,845 -0.167,846 53.109,847 60.189,848 0.271,849 0.624,850 0.783,851 0.863,852 0.881,853 0.881,854 4.866,855 1.145,856 5.771,857 3.519,858 4.419,859 4.808,860 2.135,861 6.547,862 4.372,863 6.014,864 1,865 7.309,866 2.71,867 3.892,868 4.443,869 1.593,870 7.38,871 3.827,872 7.287,873 1,874 8.947,875 2.451,876 5.979,877 6.836,878 3.045,879 10.454,880 5.888,881 8.595,882 1,883 10.645,884 2.275,885 6.33,886 7.35,887 3.114,888 12.138,889 6.211,890 9.939,891 0.875,892 12.384,893 2.192,894 7.824,895 9.177,896 4.214,897 14.687,898 7.684,899 11.305,900 0.667,901 14.149,902 2.136,903 8.564,904 10.086,905 4.563,906 16.696,907 8.39,908 12.688,909 0.399,910 15.932,911 1.635,912 9.819,913 11.678,914 5.473,915 19.064,916 9.626,917 3.001,918 -0.392,919 17.728,920 0.937,921 10.74,922 12.789,923 5.966,924 21.209,925 10.511,926 2.969,927 9.645,928 19.534,929 -0.929,930 11.894,931 14.271,932 6.771,933 23.507,934 11.643,935 2.701,936 9.572,937 21.347,938 3.996,939 12.9,940 15.494,941 7.343,942 25.711,943 12.615,944 2.402,945 8.557,946 23.165,947 3.503,948 14.012,949 16.921,950 8.089,951 27.982,952 13.702,953 1.996,954 6.927,955 24.988,956 3.199,957 15.059,958 18.208,959 8.704,960 30.213,961 14.715,962 1.867,963 5.293,964 26.813,965 2.926,966 16.154,967 19.609,968 9.418,969 32.475,970 15.783,971 1.435,972 4.932,973 28.642,974 2.285,975 17.221,976 20.932,977 10.058,978 34.719,979 16.817,980 9916,981 15216,982 20.572,983 33.762,984 45.344,985 45.735,986 45.724,987 44.927,988 44.916,989 54.007,990 5.931,991 125.56,992 43.831,993 5.34,994 5.767,995 6.195,996 5.012,997 5.001,998 6.996,999 3.426,1000 16.161,1001 4.913,1002 9.716,1003 1.511,1004 1.524,1005 1.524,1006 1.498,1007 1.497,1008 1.8,1009 0.198,1010 4.185,1011 1.461,1012 4.022,1013 4.056,1014 3.973,1015 3.912,1016 7.428,1017 3.917,1018 3.883,1019 3.932,1020 3.795,1021 3.766,1022 6.449,1023 3.757,1024 3.847,1025 3.893,1026 3.745,1027 3.688,1028 5.286,1029 3.7,1030 3.626,1031 3.673,1032 3.539,1033 3.389,1034 4.694,1035 3.426,1036 3.389,1037 3.446,1038 3.286,1039 3.148,1040 4.291,1041 3.171,1042 3.111,1043 3.206,1044 2.935,1045 2.941,1046 4.224,1047 2.922,1048 3.075,1049 3.141,1050 2.866,1051 2.926,1052 4.015,1053 2.91,1054 2.955,1055 3.027,1056 2.771,1057 2.736,1058 3.788,1059 2.738,1060 0.145,1061 0.126,1062 0.213,1063 0.132,1064 0.1,1065 4.34,1066 0.133,1067 3.767,1068 0.065,1069 6.393,1070 0.321,1071 3.971,1072 0.097,1073 3.001,1074 3.996,1075 1.957,1076 9.645,1077 2.913,1078 1.929,1079 1.902,1080 2.096,1081 2.028,1082 1.486,1083 2.051,1084 1.877,1085 1.827,1086 2.033,1087 2.011,1088 1.185,1089 2.021,1090 1.616,1091 1.579,1092 1.815,1093 1.831,1094 1.154,1095 1.813,1096 1.495,1097 1.422,1098 1.714,1099 1.735,1100 0.933,1101 1.749,1102 1.326,1103 1.27,1104 1.53,1105 1.539,1106 0.845,1107 1.535,1108 1.252,1109 1.201,1110 1.513,1111 1.529,1112 0.825,1113 1.501,1114 1.153,1115 1.064,1116 1.49,1117 1.376,1118 0.697,1119 1.429,1120 0.974,1121 0.906,1122 1.181,1123 1.311,1124 0.218,1125 1.248,1126 4.111,1128 5.416,1129 3.045,1130 6.905,1131 5.283,1132 8.47,1133 7.273,1134 10.074,1139 9.769,1140 7.721,1141 5.88,1143 -0.722,1148 32.025,1149 82.175,1150 189.359,1151 237.805,1152 262.07,1153 267.58,1154 267.58,1155 51.382,1156 7.451,1157 100.28,1158 100.28,1159 22,1160 12.388,1161 3.7,1162 2.907,1163 40.603,1164 125,1165 103,1166 0.159,1167 194.645,1168 337.85,1169 466.694,1170 18895,1172 18.64,1173 0.69,1174 0.569,1175 18.64,1176 15.356,1177 13.204,1178 0.44,1179 0.328,1180 9.698,1181 12.693,1182 9.575,1183 7.882,1184 13.204,1185 9.826,1186 11.639,1187 0.284,1188 0.183,1189 11.639,1190 7.494,1191 10.077,1192 0.187,1193 0.103,1194 10.077,1195 5.547,1196 8.195,1197 0.122,1198 0.058,1199 8.195,1200 3.895,1201 5.837,1202 0.079,1203 0.034,1204 5.837,1205 2.48,1206 0.259,1207 83.055,1208 0.22,1209 26.651,1210 0.411,1211 142,1212 397.577,1213 157.243,1214 377.969,1215 514.8,1216 354,1217 166,1218 381.848,1219 182.521,1220 378.572,1221 554.24,1222 358,1223 6.42} {0 CHEMBL1209462,1 1.529,2 12.571,3 2.234,4 4.991,5 103.845,6 6.867,7 0.355,8 4.121,9 4.248,10 3.614,11 3.616,12 5.141,13 3.588,14 4.711,15 4.896,16 3.995,17 4.062,18 5.665,19 4.001,20 5.042,21 5.275,22 4.029,23 4.193,24 5.994,25 4.087,26 5.117,27 5.385,28 3.943,29 4.077,30 6.15,31 3.982,32 4.895,33 5.166,34 3.702,35 3.892,36 5.851,37 3.8,38 4.573,39 4.793,40 3.608,41 3.788,42 5.55,43 3.702,44 4.561,45 4.777,46 3.616,47 3.841,48 5.542,49 3.736,50 4.682,51 4.923,52 3.496,53 3.858,54 5.574,55 3.706,56 0.091,57 0.829,58 13.052,59 5.266,60 12.611,61 7.327,62 0.234,63 1.37,64 24.592,65 9.19,66 30.176,67 13.211,68 0.368,69 1.66,70 35.756,71 12.151,72 54.34,73 17.939,74 0.743,75 1.613,76 40.767,77 10.568,78 99.985,79 16.706,80 0.57,81 1.314,82 32.645,83 8.237,84 66.18,85 13.05,86 0.266,87 1.055,88 22.374,89 7.543,90 37.286,91 10.878,92 0.205,93 1.108,94 21.475,95 8.041,96 32.384,97 11.517,98 0.234,99 1.145,100 24.686,101 9.117,102 34.331,103 13.278,104 10,105 44,106 0.253,107 0.59,108 0.754,109 0.826,110 0.842,111 0.842,112 3.374,113 0.985,114 -4.17,115 -4.11,116 -3.89,117 37.5,118 1,119 6,121 1,123 2,124 2,130 4,131 2,136 1,142 1,144 1,149 1,151 13,152 2,153 4,154 1,156 3,158 14,161 12,163 1,164 2,165 2,167 8,170 15,172 1,173 1,174 3,176 2,179 10,183 2,185 5,188 4,191 3,193 11,196 1,197 2,199 4,200 14,204 1,205 3,206 11,208 2,213 2,214 5,216 1210,217 18.938,218 18.938,219 18.938,220 18.938,221 18.938,222 17.592,223 19.01,224 11.038,225 19.148,226 15.255,227 15.255,228 15.255,229 15.255,230 15.255,231 13.123,232 22.709,233 5.175,234 15.597,235 4.279,236 2.246,237 1.259,238 0.826,239 0.728,240 0.728,241 4.068,244 1,245 1,246 769,247 3.317,250 178.742,251 199.981,256 2.245,257 29.897,259 1,260 1,261 1,262 1,263 1,264 1,265 1,266 1,267 61,268 352,269 4.57,270 3.767,271 7.474,272 4.44,273 3.449,274 4.061,275 1.957,276 13.203,277 3.42,278 4.192,279 3.648,280 6.393,281 3.945,282 2.971,283 3.643,284 0.589,285 9.645,286 2.888,287 4.073,288 2.898,289 6.159,290 3.833,291 2.856,292 3.22,293 0.42,294 9.124,295 2.791,296 3.775,297 2.761,298 5.348,299 3.422,300 2.442,301 3.13,303 6.965,304 2.39,305 3.282,306 2.608,307 5.048,308 2.992,309 2.011,310 2.504,312 5.613,313 1.959,314 3.18,315 1.974,316 4.879,317 2.881,318 1.891,319 2.227,321 5.254,322 1.866,323 2.676,324 1.617,325 4.253,326 2.54,327 1.548,328 1.705,330 3.561,331 1.535,332 2.5,333 1.587,334 3.747,335 2.073,336 1.149,337 1.5,339 2.934,340 1.064,341 2.396,342 1.259,343 3.732,344 2.046,345 1.096,346 1.375,347 2.679,348 1.031,349 2.159,350 1.205,351 3.603,352 2,353 1,354 1.147,355 2.275,356 1,357 2.148,358 1,359 3.414,360 2,361 1,362 1.006,363 2.23,364 1,365 2,366 1,367 3.399,368 1.862,369 0.901,370 1,371 2.206,372 0.862,373 1.968,374 0.994,375 3.279,376 1.633,377 0.676,378 0.94,379 1.655,380 0.645,381 1.723,382 0.679,383 3,384 1.399,385 0.399,386 0.482,387 0.938,388 0.395,389 0.966,390 0.11,391 2.83,392 0.662,393 -0.334,394 -0.343,395 -0.777,396 -0.332,397 13.1,398 0.468,399 0.709,400 0.025,401 29.75,402 1.063,403 11.5,404 0.411,405 18.25,406 0.652,407 27.903,408 0.997,409 31.9,410 0.57,411 21.03,412 0.751,413 5.219,414 0.186,415 8.331,416 0.298,417 0.089,418 0.038,419 0.267,420 0.77,421 1.318,422 0.868,423 1.151,424 0.713,425 1.042,426 0.667,427 1.213,428 0.896,429 1.154,430 0.62,431 1.074,432 0.817,433 1.227,434 0.969,435 1.209,436 0.902,437 1.134,438 1.363,439 0.965,440 1.027,441 0.845,442 1.169,443 0.871,444 1.569,445 0.746,446 1.115,447 0.692,448 1.317,449 0.791,450 1.214,451 1.004,452 1.048,453 0.975,454 1.128,455 0.988,456 0.729,457 1.032,458 1.057,459 1.158,460 0.836,461 1.158,462 0.696,463 1.16,464 1.093,465 1.265,466 0.687,467 1.255,468 6,469 0.107,470 4.222,471 1.528,472 1.279,473 0.963,474 0.458,475 0.201,476 0.249,477 0.185,478 11397,479 25762,480 2.106,481 50,482 13,483 10,486 3,489 2,490 1.703,491 1.988,492 3.586,493 0.917,494 1,495 1,497 85.612,498 1.529,499 3.562,500 4.548,501 4.981,502 5.08,503 5.08,504 3.098,505 4.28,506 4.779,507 3.819,508 1443.52,509 8.267,510 20048.3,511 1,512 1,513 325.212,514 1.454,515 4.74,516 0.194,517 0.006,518 0.096,519 0.036,520 0.035,521 0.032,522 0.016,523 0.007,524 0.01,525 0.01,526 0.441,527 0.33,528 1,529 0.517,530 143.785,531 0.027,532 -0.02,533 0.049,534 0.038,535 -0.025,536 0.044,537 0.101,538 -0.036,539 0.034,540 -0.047,541 0.051,542 -0.025,543 0.072,544 -0.207,545 -0.009,546 -0.18,547 0.031,548 -0.123,549 -0.07,550 -0.028,551 0.012,552 0.047,553 0.023,554 0.046,555 -0.277,556 0.224,557 -0.072,558 0.185,559 -0.167,560 0.113,561 -0.171,562 0.036,563 -0.072,564 0.061,565 -0.092,566 0.017,567 -0.024,568 0.078,569 -0.131,570 -0.083,571 -0.054,572 -0.118,573 0.006,574 -0.155,575 -0.166,576 -0.205,577 -0.044,578 -0.216,579 1.944,580 5.135,581 0.786,582 30.872,583 1,584 1.136,585 2.938,586 8.634,587 0.634,588 3.466,589 3.807,590 4.078,591 4.277,592 4.382,593 4.454,594 4.511,595 4.585,596 4.736,597 4.812,598 7.588,599 0.599,600 384.53,601 3.466,602 5.017,603 5.872,604 6.751,605 7.619,606 8.501,607 9.374,608 10.257,609 11.133,610 12.018,611 7.1,613 1,617 1,620 2,623 4,624 2,626 1,628 4,630 11,638 56,639 12,640 1,641 31,642 59,643 21,644 8,645 2,646 4,648 4,649 4,652 1,653 1,654 1,655 8,657 8,659 9,660 12,662 1,664 1,667 1,669 1,670 28,671 7,672 3,673 7,677 4,681 1,682 3,684 1,689 1,692 2,693 2,700 1,705 1,708 1,710 4,712 1,715 28,717 1,718 8,719 2,721 2,723 1,731 5.4,732 1,734 1,736 1,737 14.083,738 9.933,739 6.083,740 3.646,741 2.113,742 1.281,743 0.927,744 5.698,745 9.622,746 3.651,747 4.171,748 4.674,749 5.153,750 5.529,751 5.847,752 6.165,753 6.498,754 6.882,755 7.072,756 1,757 42,758 10.45,759 4.565,760 7.705,761 20.307,762 17.452,763 2.205,764 61.75,768 294.278,769 84.573,770 72.404,772 77.562,774 84.573,775 371.84,776 72.404,777 8.825,778 37.429,779 98.599,780 71.252,781 18.433,783 294.278,785 294.278,786 156.976,787 77.562,790 273.063,791 58.421,792 42.683,793 69.285,794 48.981,795 36.382,797 294.278,798 149.966,799 84.573,801 294.278,802 37.842,803 46.73,804 36.022,805 113.945,806 294.278,807 149.966,808 84.573,810 0.588,811 0.349,812 0.177,813 0.083,814 22,815 9,816 0.085,817 5,819 1,820 4.103,821 236.915,823 22,824 126.606,826 19.409,827 8.22,828 4.26,830 149.966,831 7.795,832 8.836,834 5.589,836 3.224,838 78.705,839 528.816,840 37.5,842 12.135,845 -0.169,846 55.992,847 63.604,848 0.263,849 0.613,850 0.783,851 0.858,852 0.875,853 0.875,854 4.918,855 1.149,856 5.883,857 3.561,858 4.489,859 4.856,860 2.135,861 6.735,862 4.445,863 6.101,864 1.096,865 7.478,866 2.934,867 4.205,868 4.635,869 1.593,870 7.982,871 4.158,872 7.41,873 1,874 9.191,875 2.679,876 6.168,877 6.925,878 3.045,879 11.019,880 6.092,881 8.758,882 1,883 10.981,884 2.275,885 6.758,886 7.544,887 3.114,888 13.144,889 6.679,890 10.144,891 0.901,892 12.822,893 2.23,894 8.202,895 9.311,896 4.214,897 15.797,898 8.102,899 11.552,900 0.676,901 14.7,902 2.206,903 9.151,904 10.293,905 4.563,906 18.215,907 9.047,908 12.979,909 0.399,910 16.606,911 1.655,912 10.424,913 11.853,914 5.473,915 20.792,916 10.306,917 3.449,918 -0.334,919 18.531,920 0.938,921 11.522,922 13.016,923 5.966,924 23.31,925 11.4,926 2.971,927 13.203,928 20.472,929 -0.777,930 12.743,931 14.483,932 6.771,933 25.877,934 12.611,935 2.856,936 9.645,937 22.426,938 4.061,939 13.906,940 15.743,941 7.343,942 28.431,943 13.769,944 2.442,945 9.124,946 24.389,947 3.643,948 15.115,949 17.167,950 8.089,951 31.002,952 14.972,953 2.011,954 6.965,955 26.361,956 3.22,957 16.308,958 18.481,959 8.704,960 33.57,961 16.159,962 1.891,963 5.613,964 28.338,965 3.13,966 17.519,967 19.884,968 9.418,969 36.145,970 17.365,971 1.548,972 5.254,973 30.322,974 2.504,975 18.727,976 21.23,977 10.058,978 38.72,979 18.568,980 10699,981 16251,982 20.86,983 35.523,984 47.415,985 47.763,986 47.971,987 46.768,988 46.78,989 55.877,990 5.931,991 136.565,992 45.693,993 5.57,994 5.767,995 7.206,996 5.48,997 5.449,998 7.061,999 3.426,1000 20.619,1001 5.42,1002 12.093,1003 1.53,1004 1.541,1005 1.547,1006 1.509,1007 1.509,1008 1.802,1009 0.191,1010 4.405,1011 1.474,1012 4.033,1013 4.067,1014 3.984,1015 3.92,1016 7.428,1017 3.926,1018 3.895,1019 3.941,1020 3.807,1021 3.798,1022 6.449,1023 3.789,1024 3.853,1025 3.899,1026 3.757,1027 3.688,1028 5.287,1029 3.7,1030 3.626,1031 3.674,1032 3.543,1033 3.393,1034 4.694,1035 3.427,1036 3.394,1037 3.454,1038 3.288,1039 3.176,1040 4.299,1041 3.186,1042 3.226,1043 3.306,1044 3.044,1045 3.025,1046 4.269,1047 3.032,1048 3.111,1049 3.206,1050 2.866,1051 2.941,1052 4.015,1053 2.91,1054 2.992,1055 3.049,1056 2.847,1057 2.792,1058 3.818,1059 2.798,1060 0.147,1061 0.122,1062 0.241,1063 0.143,1064 0.111,1065 4.57,1066 0.131,1067 3.767,1068 0.063,1069 7.474,1070 0.426,1071 4.44,1072 0.11,1073 3.449,1074 4.061,1075 1.957,1076 13.203,1077 3.42,1078 1.932,1079 1.904,1080 2.111,1081 2.045,1082 1.498,1083 2.068,1084 1.902,1085 1.858,1086 2.033,1087 2.014,1088 1.185,1089 2.021,1090 1.616,1091 1.579,1092 1.815,1093 1.831,1094 1.154,1095 1.813,1096 1.495,1097 1.422,1098 1.715,1099 1.735,1100 0.934,1101 1.749,1102 1.392,1103 1.331,1104 1.673,1105 1.602,1106 0.924,1107 1.621,1108 1.289,1109 1.23,1110 1.513,1111 1.534,1112 0.825,1113 1.521,1114 1.153,1115 1.064,1116 1.5,1117 1.376,1118 0.699,1119 1.429,1120 0.984,1121 0.91,1122 1.246,1123 1.325,1124 0.409,1125 1.248,1126 4.143,1128 5.476,1129 3.045,1130 6.999,1131 5.283,1132 8.601,1133 7.286,1134 10.245,1135 2.214,1139 9.787,1140 7.585,1141 5.888,1143 -1.126,1145 -0.007,1148 33.552,1149 85.612,1150 199.463,1151 254.683,1152 278.947,1153 284.457,1154 284.457,1155 56.672,1156 7.509,1157 100.28,1158 100.28,1159 22,1160 12.552,1161 3.7,1162 2.907,1163 42.846,1164 130,1165 102,1166 0.161,1167 204.238,1168 355.15,1169 490.1,1170 19989,1172 19.562,1173 0.699,1174 0.581,1175 19.562,1176 16.279,1177 13.549,1178 0.437,1179 0.328,1180 10.05,1181 13.043,1182 9.844,1183 8.128,1184 13.549,1185 10.178,1186 12.392,1187 0.282,1188 0.187,1189 12.392,1190 8.247,1191 10.702,1192 0.185,1193 0.104,1194 10.702,1195 6.05,1196 8.526,1197 0.12,1198 0.059,1199 8.526,1200 4.16,1201 6.04,1202 0.076,1203 0.033,1204 6.04,1205 2.639,1206 0.261,1207 85.13,1208 0.219,1209 27.363,1210 0.418,1211 150,1212 405.577,1213 165.243,1214 387.257,1215 528.44,1216 362,1217 177,1218 393.848,1219 194.019,1220 392.968,1221 575.76,1222 370,1223 6.678} {0 CHEMBL1209463,1 1.574,2 11.885,3 1.361,4 1.852,5 94.743,6 7.129,7 0.379,8 4.023,9 4.146,10 3.549,11 3.516,12 5.068,13 3.5,14 4.604,15 4.78,16 3.912,17 3.951,18 5.595,19 3.898,20 4.909,21 5.152,22 3.864,23 4.004,24 5.88,25 3.903,26 4.853,27 5.111,28 3.811,29 3.815,30 5.98,31 3.762,32 4.612,33 4.845,34 3.579,35 3.686,36 5.672,37 3.634,38 4.404,39 4.609,40 3.471,41 3.65,42 5.406,43 3.564,44 4.439,45 4.663,46 3.506,47 3.698,48 5.419,49 3.599,50 4.532,51 4.768,52 3.374,53 3.698,54 5.449,55 3.556,56 0.105,57 0.752,58 11.234,59 4.59,60 12.017,61 6.258,62 0.248,63 1.236,64 21.332,65 8.015,66 28.661,67 11.357,68 0.45,69 1.409,70 31.648,71 10.185,72 56.079,73 15.101,74 0.689,75 1.254,76 31.522,77 7.648,78 90.67,79 12.03,80 0.524,81 1.042,82 24.221,83 5.974,84 57.205,85 9.003,86 0.223,87 0.905,88 18.328,89 6.585,90 31.659,91 9.227,92 0.22,93 0.963,94 18.888,95 7.033,96 29.99,97 9.989,98 0.254,99 0.983,100 21.167,101 7.674,102 31.355,103 11.107,104 5,105 40,106 0.267,107 0.621,108 0.777,109 0.842,110 0.842,111 0.842,112 3.303,113 0.965,114 -3.72,115 -3.68,116 -3.5,117 38,119 5,120 1,123 2,124 2,130 4,131 2,136 1,142 1,144 1,149 1,151 11,152 2,153 4,154 1,156 3,158 11,161 10,163 1,164 2,165 2,167 3,170 14,172 1,173 1,174 3,176 1,179 8,183 2,185 4,188 3,191 3,193 9,196 1,197 2,199 4,200 11,204 1,205 3,206 8,208 2,213 2,214 3,216 936,217 17.861,218 17.861,219 17.861,220 17.861,221 17.861,222 16.501,223 17.798,224 10.549,225 18.073,226 14.303,227 14.303,228 14.303,229 14.303,230 14.303,231 12.15,232 19.768,233 4.99,234 14.648,235 4.07,236 1.982,237 1.064,238 0.68,239 0.68,240 0.68,241 3.999,243 1,244 1,245 1,246 682,247 2.915,250 245.089,251 90.06,256 2.133,257 28.562,259 1,260 1,261 1,262 1,263 1,264 1,265 1,266 1,267 57,268 309,269 4.341,270 3.767,271 6.393,272 3.975,273 3.004,274 3.996,275 1.957,276 9.645,277 2.916,278 4.08,279 3.143,280 6.29,281 3.943,282 2.969,283 3.503,284 0.589,285 9.575,286 2.884,287 3.98,288 2.848,289 5.997,290 3.701,291 2.708,292 3.199,293 0.42,294 8.563,295 2.688,296 3.664,297 2.749,298 5.335,299 3.387,300 2.405,301 2.929,303 6.928,304 2.359,305 3.217,306 2.571,307 4.883,308 2.98,309 1.996,310 2.294,312 5.294,313 1.948,314 3.119,315 1.907,316 4.638,317 2.844,318 1.854,319 2.21,321 4.959,322 1.831,323 2.624,324 1.617,325 4.098,326 2.305,327 1.333,328 1.654,330 3.459,331 1.293,332 2.5,333 1.451,334 3.745,335 2.052,336 1.143,337 1.5,339 2.697,340 1.034,341 2.197,342 1.215,343 3.414,344 2,345 1,346 1.148,347 2.275,348 1,349 2.149,350 1.125,351 3.4,352 1.906,353 0.942,354 1.073,355 2.226,356 0.906,357 1.971,358 1,359 3.301,360 1.763,361 0.777,362 0.94,363 1.92,364 0.764,365 1.848,366 0.777,367 3.198,368 1.618,369 0.618,370 0.766,371 1.544,372 0.618,373 1.719,374 0.618,375 3,376 1.571,377 0.618,378 0.618,379 1.372,380 0.587,381 1.618,382 0.618,383 2.972,384 1.397,385 0.397,386 0.479,387 0.932,388 0.392,389 0.963,390 0.108,391 2.429,392 0.591,393 -0.4,394 -0.495,395 -0.948,396 -0.393,397 12.1,398 0.465,399 0.554,400 0.021,401 28.75,402 1.106,403 11.5,404 0.442,405 17.25,406 0.663,407 22.973,408 0.884,409 29.3,410 0.586,411 19.845,412 0.763,413 5.236,414 0.201,415 7.468,416 0.287,417 0.055,419 0.331,420 0.774,421 1.3,422 0.828,423 1.115,424 0.698,425 0.999,426 0.68,427 1.26,428 0.926,429 1.208,430 0.632,431 1.124,432 0.865,433 1.14,434 0.952,435 1.126,436 0.945,437 1.071,438 1.406,439 0.94,440 0.973,441 0.763,442 1.312,443 0.777,444 1.811,445 0.762,446 1.273,447 0.698,448 1.559,449 0.84,450 1.066,451 1.092,452 1.072,453 1.114,454 1.124,455 1.105,456 0.685,457 0.964,458 0.967,459 1.092,460 0.8,461 1.081,462 0.731,463 1.156,464 1.105,465 1.27,466 0.701,467 1.266,468 4.5,469 0.086,470 3.333,471 1.028,472 1.022,473 0.733,474 0.341,475 0.194,476 0.201,477 0.149,478 9620,479 22885,480 2.148,481 48,482 8,483 10,486 3,487 1,489 2,490 1.682,491 2.053,492 3.531,493 0.974,494 1,495 1,497 78.688,498 1.574,499 3.662,500 4.579,501 4.964,502 4.964,503 4.964,504 2.936,505 3.873,506 4.672,507 3.757,508 1221.13,509 8.05,510 16116.9,511 1,513 282.193,514 1.239,515 4.65,516 0.155,517 0.005,518 0.083,519 0.029,520 0.031,521 0.027,522 0.014,523 0.007,524 0.01,525 0.009,526 0.371,527 0.33,528 1,529 0.465,530 130.451,531 0.014,532 -0.021,533 0.047,534 0.044,535 -0.02,536 0.049,537 0.084,538 -0.09,539 -0.023,540 -0.119,541 0.035,542 -0.098,543 0.056,544 -0.169,545 0.018,546 -0.134,547 0.017,548 -0.08,549 -0.071,551 0.082,552 0.113,553 0.016,554 0.128,555 -0.412,556 0.269,557 -0.229,558 0.19,559 -0.255,560 0.051,561 -0.145,562 -0.053,563 -0.132,564 -0.052,565 -0.094,566 -0.086,567 0.009,568 0.097,569 -0.05,570 -0.035,571 -0.026,572 -0.051,574 -0.169,575 -0.177,576 -0.223,577 -0.041,578 -0.234,579 1.94,580 5.08,581 0.808,582 27.231,583 1.005,584 1.135,585 2.488,586 6.19,587 0.64,588 3.401,589 3.714,590 3.989,591 4.205,592 4.234,593 4.344,594 4.419,595 4.5,596 4.625,597 4.654,598 7.284,599 0.61,600 356.47,601 3.401,602 4.934,603 5.784,604 6.648,605 7.507,606 8.373,607 9.236,608 10.103,609 10.967,610 11.835,611 8,613 1,617 1,620 2,623 4,624 2,626 1,628 4,630 11,638 50,639 12,640 1,641 29,642 53,643 19,644 8,645 2,646 4,648 4,649 4,655 7,656 1,657 7,659 9,660 10,661 1,662 1,664 1,667 1,668 1,669 1,670 24,671 7,672 3,673 7,677 4,681 1,682 3,684 1,689 1,692 3,693 1,700 1,705 1,708 1,710 4,715 26,717 1,718 7,719 2,721 3,731 6,732 1,734 1,736 1,737 12.667,738 8.517,739 5.694,740 3.25,741 2.1,742 1.286,743 0.942,744 5.228,745 9.433,746 3.597,747 4.107,748 4.616,749 5.109,750 5.459,751 5.775,752 6.108,753 6.437,754 6.798,755 6.939,756 0.875,757 35,758 9.693,759 4.247,760 7.744,761 18.755,762 16.084,763 2.244,764 58.333,768 247.193,769 73.213,770 72.404,772 77.562,774 73.213,775 324.756,776 72.404,778 34.895,779 98.599,780 71.252,781 18.433,783 247.193,785 247.193,786 145.616,787 77.562,790 225.979,791 58.421,792 42.683,793 57.926,794 48.981,795 36.382,797 247.193,798 149.966,799 73.213,801 247.193,802 35.308,803 37.905,804 36.022,805 113.945,806 247.193,807 149.966,808 73.213,810 0.581,811 0.345,812 0.181,813 0.078,814 20,815 8,816 0.094,817 5,819 1,820 4.017,821 211.574,823 21,824 114.211,826 17.502,827 7.767,828 3.943,830 149.966,831 7.764,832 8.647,834 5.43,836 3.243,838 78.705,839 470.372,840 35.5,842 12.08,845 -0.168,846 50.225,847 56.773,848 0.279,849 0.649,850 0.811,851 0.88,852 0.88,853 0.88,854 4.842,855 1.143,856 5.753,857 3.459,858 4.394,859 4.792,860 2.135,861 6.535,862 4.347,863 5.997,864 1,865 7.295,866 2.697,867 3.892,868 4.443,869 1.593,870 7.38,871 3.827,872 7.274,873 0.942,874 8.937,875 2.275,876 5.964,877 6.83,878 3.045,879 10.451,880 5.871,881 8.588,882 0.777,883 10.64,884 2.226,885 6.347,886 7.357,887 3.114,888 12.142,889 6.231,890 9.935,891 0.618,892 12.381,893 1.92,894 7.816,895 9.175,896 4.214,897 14.687,898 7.675,899 11.304,900 0.618,901 14.147,902 1.544,903 8.579,904 10.089,905 4.563,906 16.699,907 8.409,908 12.688,909 0.397,910 15.932,911 1.372,912 9.818,913 11.678,914 5.473,915 19.065,916 9.624,917 3.004,918 -0.4,919 17.729,920 0.932,921 10.753,922 12.791,923 5.966,924 21.211,925 10.528,926 2.969,927 9.645,928 19.535,929 -0.948,930 11.898,931 14.272,932 6.771,933 23.509,934 11.648,935 2.708,936 9.575,937 21.348,938 3.996,939 12.912,940 15.495,941 7.343,942 25.713,943 12.63,944 2.405,945 8.563,946 23.167,947 3.503,948 14.02,949 16.922,950 8.089,951 27.985,952 13.711,953 1.996,954 6.928,955 24.989,956 3.199,957 15.07,958 18.209,959 8.704,960 30.216,961 14.73,962 1.854,963 5.294,964 26.815,965 2.929,966 16.164,967 19.61,968 9.418,969 32.477,970 15.795,971 1.333,972 4.959,973 28.644,974 2.294,975 17.232,976 20.933,977 10.058,978 34.722,979 16.833,980 8946,981 13931,982 19.879,983 32,984 43.776,985 44.151,986 44.086,987 43.558,988 43.529,989 52.618,990 5.931,991 122.777,992 42.444,993 5.301,994 5.767,995 5.99,996 5.016,997 5.004,998 6.996,999 3.426,1000 16.161,1001 4.916,1002 9.433,1003 1.51,1004 1.522,1005 1.52,1006 1.502,1007 1.501,1008 1.814,1009 0.205,1010 4.234,1011 1.464,1012 4.024,1013 4.058,1014 3.975,1015 3.913,1016 7.428,1017 3.918,1018 3.886,1019 3.934,1020 3.798,1021 3.77,1022 6.449,1023 3.762,1024 3.846,1025 3.892,1026 3.747,1027 3.687,1028 5.287,1029 3.699,1030 3.605,1031 3.653,1032 3.52,1033 3.363,1034 4.694,1035 3.402,1036 3.382,1037 3.439,1038 3.282,1039 3.127,1040 4.291,1041 3.158,1042 3.018,1043 3.069,1044 2.894,1045 2.859,1046 4.217,1047 2.859,1048 2.89,1049 2.979,1050 2.702,1051 2.735,1052 4.014,1053 2.715,1054 2.869,1055 2.961,1056 2.687,1057 2.671,1058 3.781,1059 2.635,1060 0.15,1061 0.13,1062 0.22,1063 0.137,1064 0.104,1065 4.341,1066 0.138,1067 3.767,1068 0.067,1069 6.393,1070 0.333,1071 3.975,1072 0.101,1073 3.004,1074 3.996,1075 1.957,1076 9.645,1077 2.916,1078 1.928,1079 1.901,1080 2.035,1081 2.017,1082 1.236,1083 2.023,1084 1.647,1085 1.604,1086 1.86,1087 1.834,1088 1.211,1089 1.826,1090 1.614,1091 1.577,1092 1.847,1093 1.813,1094 1.184,1095 1.809,1096 1.577,1097 1.507,1098 1.815,1099 1.751,1100 1.153,1101 1.793,1102 1.495,1103 1.421,1104 1.714,1105 1.735,1106 0.933,1107 1.749,1108 1.293,1109 1.235,1110 1.5,1111 1.534,1112 0.699,1113 1.522,1114 0.984,1115 0.912,1116 1.181,1117 1.325,1118 0.218,1119 1.248,1120 0.886,1121 0.824,1122 1.131,1123 1.23,1124 0.189,1125 1.177,1126 4.078,1128 5.389,1129 3.434,1130 6.872,1131 5.638,1132 8.431,1133 7.591,1134 10.031,1139 9.753,1140 6.424,1141 5.87,1143 -0.711,1148 30.498,1149 78.688,1150 183.096,1151 228.974,1152 248.193,1153 248.193,1154 248.193,1155 48.196,1156 7.332,1157 100.28,1158 100.28,1159 21,1160 12.38,1161 3.7,1162 2.907,1163 38.426,1164 118,1165 86,1166 0.162,1167 185.053,1168 320.55,1169 443.289,1170 16021,1172 17.933,1173 0.69,1174 0.563,1175 17.933,1176 14.649,1177 12.704,1178 0.438,1179 0.322,1180 9.198,1181 12.193,1182 9.085,1183 7.466,1184 12.704,1185 9.326,1186 11.285,1187 0.282,1188 0.179,1189 11.285,1190 7.14,1191 9.827,1192 0.185,1193 0.1,1194 9.827,1195 5.297,1196 8.018,1197 0.121,1198 0.056,1199 8.018,1200 3.719,1201 5.224,1202 0.077,1203 0.027,1204 5.224,1205 1.868,1206 0.263,1207 80.055,1208 0.224,1209 25.788,1210 0.418,1211 138,1212 393.577,1213 153.243,1214 373.807,1215 509.04,1216 350,1217 162,1218 377.848,1219 178.521,1220 374.41,1221 548.48,1222 354,1223 5.585} {0 CHEMBL1209464,1 1.529,2 12.643,3 2.273,4 5.168,5 103.945,6 6.867,7 0.355,8 4.121,9 4.248,10 3.614,11 3.616,12 5.132,13 3.588,14 4.711,15 4.895,16 3.964,17 4.049,18 5.662,19 3.981,20 5.057,21 5.304,22 4.014,23 4.19,24 5.974,25 4.081,26 5.086,27 5.351,28 3.901,29 4.068,30 6.102,31 3.96,32 4.873,33 5.147,34 3.722,35 3.851,36 5.832,37 3.774,38 4.559,39 4.763,40 3.62,41 3.77,42 5.571,43 3.698,44 4.552,45 4.779,46 3.585,47 3.803,48 5.519,49 3.699,50 4.612,51 4.841,52 3.513,53 3.827,54 5.526,55 3.691,56 0.091,57 0.829,58 13.052,59 5.266,60 11.968,61 7.327,62 0.227,63 1.361,64 24.585,65 9.165,66 28.368,67 13.203,68 0.424,69 1.655,70 36.644,71 12.263,72 55.859,73 18.202,74 0.654,75 1.583,76 39.147,77 10.682,78 91.877,79 16.749,80 0.556,81 1.266,82 32.078,83 7.959,84 64.086,85 12.617,86 0.302,87 1.049,88 22.132,89 7.03,90 38.888,91 10.154,92 0.23,93 1.083,94 21.512,95 7.67,96 32.919,97 11.15,98 0.22,99 1.094,100 22.874,101 8.53,102 31.034,103 12.315,104 5,105 42,106 0.253,107 0.578,108 0.728,109 0.809,110 0.832,111 0.832,112 3.374,113 0.999,114 -4.17,115 -4.11,116 -3.89,117 37.5,119 7,120 1,123 2,124 2,130 4,131 2,136 1,142 1,144 1,149 1,151 13,152 2,153 4,154 1,156 3,158 13,161 10,163 1,164 2,165 2,167 10,170 14,172 1,173 1,174 3,176 1,179 12,183 2,185 4,188 5,191 3,193 9,196 1,197 2,199 4,200 13,204 1,205 3,206 12,208 2,213 2,214 7,216 1238,217 19.275,218 19.275,219 19.275,220 19.275,221 19.275,222 17.915,223 17.798,224 11.549,225 19.487,226 15.303,227 15.303,228 15.303,229 15.303,230 15.303,231 13.15,232 19.768,233 5.49,234 15.648,235 4.279,236 2.319,237 1.416,238 0.929,239 0.786,240 0.786,241 4.073,244 1,245 1,246 774,247 2.915,250 175.877,251 96.224,252 113.286,256 2.311,257 29.273,259 1,260 1,261 1,262 1,263 1,264 1,265 1,266 1,267 61,268 354,269 4.34,270 3.767,271 6.393,272 3.97,273 3,274 3.996,275 1.957,276 9.645,277 2.911,278 4.08,279 3.137,280 6.289,281 3.943,282 2.969,283 3.502,284 0.589,285 9.572,286 2.884,287 3.976,288 2.845,289 5.994,290 3.691,291 2.698,292 3.199,293 0.42,294 8.555,295 2.679,296 3.658,297 2.748,298 5.335,299 3.383,300 2.401,301 2.925,303 6.927,304 2.355,305 3.214,306 2.567,307 4.883,308 2.98,309 1.996,310 2.28,312 5.292,313 1.949,314 3.109,315 1.925,316 4.624,317 2.873,318 1.88,319 2.203,321 4.917,322 1.864,323 2.719,324 1.618,325 4.091,326 2.516,327 1.531,328 1.752,330 3.584,331 1.507,332 2.5,333 1.598,334 3.746,335 2.247,336 1.247,337 1.5,339 2.818,340 1.247,341 2.32,342 1.247,343 3.61,344 2.058,345 1.147,346 1.285,347 2.659,348 1.044,349 2.247,350 1.234,351 3.414,352 2.035,353 1.067,354 1.247,355 2.606,356 1.027,357 2.15,358 1.196,359 3.414,360 2,361 1,362 1.146,363 2.275,364 1,365 2.143,366 1,367 3.399,368 1.861,369 0.9,370 0.998,371 2.204,372 0.862,373 1.968,374 0.977,375 3.269,376 1.638,377 0.679,378 0.94,379 1.654,380 0.649,381 1.723,382 0.682,383 2.98,384 1.4,385 0.4,386 0.483,387 0.939,388 0.395,389 0.975,390 0.114,391 2.522,392 0.784,393 -0.207,394 -0.217,395 -0.463,396 -0.205,397 13.1,398 0.468,399 0.554,400 0.02,401 29.75,402 1.063,403 11.5,404 0.411,405 18.25,406 0.652,407 27.05,408 0.966,409 31.9,410 0.57,411 20.681,412 0.739,413 5.236,414 0.187,415 8.468,416 0.302,417 0.051,419 0.305,420 0.77,421 1.318,422 0.868,423 1.151,424 0.694,425 1.042,426 0.674,427 1.281,428 0.958,429 1.236,430 0.624,431 1.156,432 0.815,433 1.089,434 0.908,435 1.072,436 0.89,437 1.021,438 1.216,439 1.044,440 1.038,441 0.955,442 1.128,443 0.961,444 1.595,445 0.727,446 1.021,447 0.632,448 1.324,449 0.702,450 1.493,451 1.062,452 1.184,453 1,454 1.27,455 1.038,456 0.783,457 0.971,458 1.047,459 1.083,460 0.86,461 1.096,462 0.742,463 1.161,464 1.096,465 1.255,466 0.719,467 1.244,468 4.5,469 0.104,470 3.333,471 1.25,472 0.967,473 0.831,474 0.397,475 0.196,476 0.201,477 0.163,478 11648,479 26173,480 2.137,481 50,482 12,483 10,486 3,487 1,489 2,490 1.702,491 2.049,492 3.614,493 0.917,494 1,495 1,497 85.612,498 1.529,499 3.488,500 4.391,501 4.879,502 5.022,503 5.022,504 3.098,505 4.182,506 4.779,507 3.848,508 1454.61,509 8.266,510 20392.4,511 1,512 1,513 325.212,514 1.198,515 4.76,516 0.145,517 0.006,518 0.079,519 0.03,520 0.028,521 0.027,522 0.014,523 0.007,524 0.008,525 0.008,526 0.351,527 0.33,528 1,529 0.444,530 144.251,531 0.027,532 -0.02,533 0.049,534 0.038,535 -0.008,536 0.044,537 0.094,538 -0.105,539 -0.029,540 -0.131,541 0.045,542 -0.108,543 0.07,544 -0.096,545 0.056,546 -0.059,547 0.034,548 -0.016,549 -0.03,550 -0.097,551 -0.018,552 -0.04,553 0.049,554 -0.027,555 -0.248,556 0.22,557 0.031,558 0.237,559 -0.145,560 0.197,561 -0.267,562 0.011,563 -0.184,564 0.019,565 -0.156,566 -0.057,567 -0.037,568 0.128,569 -0.108,570 -0.037,571 -0.054,572 -0.075,573 -0.008,574 -0.128,575 -0.168,576 -0.181,577 -0.046,578 -0.201,579 1.941,580 5.129,581 0.821,582 31.944,583 1,584 1.136,585 2.938,586 8.634,587 0.634,588 3.466,589 3.761,590 4.025,591 4.234,592 4.331,593 4.454,594 4.489,595 4.585,596 4.718,597 4.796,598 7.725,599 0.599,600 384.53,601 3.466,602 4.99,603 5.832,604 6.688,605 7.542,606 8.402,607 9.26,608 10.123,609 10.984,610 11.848,611 7.1,613 1,617 1,620 2,623 4,624 2,626 1,628 4,630 11,638 56,639 12,640 1,641 31,642 59,643 21,644 8,645 2,646 4,648 4,649 4,655 9,656 1,657 9,659 9,660 12,661 1,662 1,664 1,667 1,669 1,670 28,671 7,672 3,673 7,677 4,681 1,682 3,684 1,689 1,692 2,693 1,694 1,700 1,705 1,708 1,710 4,715 28,717 1,718 9,719 2,721 3,731 5.4,732 1,734 1,736 1,737 13.667,738 9.517,739 6.194,740 3.75,741 2.119,742 1.28,743 0.938,744 6.28,745 9.678,746 3.651,747 4.139,748 4.636,749 5.121,750 5.489,751 5.802,752 6.126,753 6.461,754 6.828,755 6.994,756 1,757 42,758 10.454,759 4.537,760 7.69,761 20.388,762 17.417,763 2.19,764 61.333,768 294.278,769 78.282,770 72.404,772 77.562,774 78.282,775 371.84,776 72.404,778 39.964,779 98.599,780 71.252,781 18.433,783 294.278,785 294.278,786 150.685,787 77.562,790 273.063,791 58.421,792 42.683,793 62.995,794 48.981,795 36.382,797 294.278,798 149.966,799 78.282,801 294.278,802 40.377,803 37.905,804 36.022,805 113.945,806 294.278,807 149.966,808 78.282,810 0.575,811 0.338,812 0.178,813 0.085,814 20,815 8,816 0.085,817 5,819 1,820 4.173,821 232.97,823 23,824 124.606,826 19.409,827 9.06,828 4.755,830 149.966,831 7.809,832 8.792,834 5.542,836 3.271,838 78.705,839 522.525,840 37.5,842 12.129,845 -0.166,846 55.992,847 63.604,848 0.263,849 0.601,850 0.756,851 0.84,852 0.865,853 0.865,854 4.888,855 1.247,856 5.79,857 3.584,858 4.443,859 4.824,860 2.135,861 6.558,862 4.397,863 6.031,864 1.147,865 7.322,866 2.818,867 3.892,868 4.443,869 1.593,870 7.38,871 3.827,872 7.3,873 1.067,874 8.956,875 2.659,876 5.994,877 6.843,878 3.045,879 10.457,880 5.904,881 8.605,882 1,883 10.651,884 2.606,885 6.33,886 7.35,887 3.114,888 12.138,889 6.211,890 9.946,891 0.9,892 12.388,893 2.275,894 7.828,895 9.178,896 4.214,897 14.686,898 7.688,899 11.309,900 0.679,901 14.151,902 2.204,903 8.564,904 10.086,905 4.563,906 16.696,907 8.39,908 12.69,909 0.4,910 15.934,911 1.654,912 9.817,913 11.678,914 5.473,915 19.063,916 9.623,917 3,918 -0.207,919 17.729,920 0.939,921 10.738,922 12.789,923 5.966,924 21.208,925 10.51,926 2.969,927 9.645,928 19.534,929 -0.463,930 11.89,931 14.271,932 6.771,933 23.506,934 11.638,935 2.698,936 9.572,937 21.347,938 3.996,939 12.898,940 15.493,941 7.343,942 25.71,943 12.612,944 2.401,945 8.555,946 23.165,947 3.502,948 14.008,949 16.921,950 8.089,951 27.982,952 13.696,953 1.996,954 6.927,955 24.987,956 3.199,957 15.055,958 18.207,959 8.704,960 30.213,961 14.711,962 1.88,963 5.292,964 26.813,965 2.925,966 16.149,967 19.608,968 9.418,969 32.474,970 15.777,971 1.531,972 4.917,973 28.641,974 2.28,975 17.217,976 20.932,977 10.058,978 34.718,979 16.812,980 10898,981 16513,982 21.266,983 35.523,984 46.423,985 46.849,986 47.011,987 45.824,988 45.829,989 54.912,990 5.931,991 127.293,992 44.744,993 5.3,994 5.767,995 6.186,996 5.012,997 5,998 6.996,999 3.426,1000 16.161,1001 4.911,1002 9.99,1003 1.498,1004 1.511,1005 1.516,1006 1.478,1007 1.478,1008 1.771,1009 0.191,1010 4.106,1011 1.443,1012 4.021,1013 4.055,1014 3.972,1015 3.912,1016 7.428,1017 3.917,1018 3.881,1019 3.93,1020 3.793,1021 3.764,1022 6.449,1023 3.754,1024 3.848,1025 3.895,1026 3.744,1027 3.688,1028 5.286,1029 3.7,1030 3.647,1031 3.693,1032 3.556,1033 3.418,1034 4.694,1035 3.452,1036 3.397,1037 3.457,1038 3.291,1039 3.179,1040 4.292,1041 3.191,1042 3.278,1043 3.364,1044 3.057,1045 3.125,1046 4.23,1047 3.097,1048 3.195,1049 3.265,1050 3.036,1051 3.009,1052 4.015,1053 3.017,1054 2.987,1055 3.046,1056 2.841,1057 2.785,1058 3.799,1059 2.791,1060 0.14,1061 0.122,1062 0.206,1063 0.128,1064 0.097,1065 4.34,1066 0.129,1067 3.767,1068 0.063,1069 6.393,1070 0.311,1071 3.97,1072 0.094,1073 3,1074 3.996,1075 1.957,1076 9.645,1077 2.911,1078 1.928,1079 1.902,1080 2.035,1081 2.017,1082 1.353,1083 2.024,1084 1.751,1085 1.703,1086 1.975,1087 1.907,1088 1.336,1089 1.924,1090 1.712,1091 1.647,1092 1.962,1093 1.873,1094 1.185,1095 1.912,1096 1.615,1097 1.579,1098 1.815,1099 1.831,1100 1.153,1101 1.812,1102 1.495,1103 1.422,1104 1.714,1105 1.735,1106 0.933,1107 1.749,1108 1.298,1109 1.24,1110 1.501,1111 1.534,1112 0.701,1113 1.523,1114 1.058,1115 1.007,1116 1.288,1117 1.385,1118 0.546,1119 1.324,1120 0.959,1121 0.902,1122 1.253,1123 1.298,1124 0.528,1125 1.247,1126 4.143,1128 5.442,1129 3.045,1130 6.913,1131 5.352,1132 8.461,1133 7.368,1134 10.052,1139 9.785,1140 9.018,1141 5.89,1143 -0.734,1148 33.552,1149 85.612,1150 195.322,1151 245.909,1152 273.212,1153 281.212,1154 281.212,1155 54.664,1156 7.559,1157 100.28,1158 100.28,1159 23,1160 12.396,1161 3.7,1162 2.907,1163 42.831,1164 132,1165 99,1166 0.157,1167 204.238,1168 355.15,1169 490.1,1170 21968,1172 19.347,1173 0.691,1174 0.574,1175 19.347,1176 16.064,1177 13.704,1178 0.442,1179 0.333,1180 10.198,1181 13.193,1182 10.065,1183 8.299,1184 13.704,1185 10.326,1186 11.992,1187 0.286,1188 0.187,1189 11.992,1190 7.847,1191 10.327,1192 0.188,1193 0.105,1194 10.327,1195 5.797,1196 8.372,1197 0.123,1198 0.06,1199 8.372,1200 4.072,1201 5.962,1202 0.079,1203 0.035,1204 5.962,1205 2.605,1206 0.256,1207 86.055,1208 0.217,1209 27.472,1210 0.407,1211 146,1212 401.577,1213 161.243,1214 382.13,1215 520.56,1216 358,1217 170,1218 385.848,1219 186.521,1220 382.733,1221 560,1222 362,1223 6.208} {0 CHEMBL1209542,1 1.529,2 13.357,3 2.063,4 4.255,5 103.919,6 6.867,7 0.355,8 4.121,9 4.248,10 3.614,11 3.616,12 5.132,13 3.588,14 4.711,15 4.895,16 3.964,17 4.049,18 5.663,19 3.981,20 5.025,21 5.278,22 3.895,23 4.118,24 5.941,25 3.993,26 4.983,27 5.257,28 3.817,29 3.968,30 6.011,31 3.863,32 4.786,33 5.045,34 3.686,35 3.833,36 5.747,37 3.75,38 4.627,39 4.846,40 3.668,41 3.769,42 5.62,43 3.702,44 4.602,45 4.837,46 3.601,47 3.769,48 5.588,49 3.683,50 4.541,51 4.771,52 3.471,53 3.741,54 5.478,55 3.621,56 0.091,57 0.829,58 13.052,59 5.266,60 11.972,61 7.327,62 0.227,63 1.361,64 24.585,65 9.165,66 28.018,67 13.203,68 0.445,69 1.566,70 35.724,71 11.671,72 56.789,73 17.451,74 0.613,75 1.421,76 35.433,77 9.665,78 88.535,79 15.216,80 0.425,81 1.2,82 28.821,83 7.941,84 54.057,85 12.211,86 0.301,87 1.074,88 23.983,89 7.367,90 39.878,91 10.769,92 0.35,93 1.096,94 23.312,95 7.08,96 40.836,97 10.608,98 0.251,99 1.022,100 21.495,101 7.442,102 31.494,103 10.93,104 5,105 42,106 0.253,107 0.59,108 0.77,109 0.85,110 0.85,111 0.85,112 3.373,113 0.997,114 -4.17,115 -4.11,116 -3.89,117 37.5,119 7,120 1,123 2,124 2,130 4,131 2,136 1,142 1,144 1,149 1,151 13,152 2,153 4,154 1,156 3,158 14,161 8,163 1,164 2,165 2,167 7,170 11,172 1,173 1,174 3,176 3,179 11,183 2,185 3,188 9,191 3,193 6,196 3,197 2,199 4,200 9,204 1,205 3,206 11,208 2,213 2,214 10,216 1310,217 19.223,218 19.223,219 19.223,220 19.223,221 19.223,222 17.838,223 16.585,224 11.453,225 19.438,226 15.298,227 15.298,228 15.298,229 15.298,230 15.298,231 13.115,232 18.297,233 5.45,234 15.649,235 4.279,236 2.246,237 1.161,238 0.679,239 0.679,240 0.679,241 4.07,244 1,245 1,246 818,247 3.24,250 275.887,251 100.033,256 2.5,257 28.6,259 1,260 1,261 1,262 1,263 1,264 1,265 1,266 1,267 61,268 374,269 4.309,270 3.767,271 6.393,272 3.947,273 2.973,274 3.978,275 1.957,276 9.645,277 2.889,278 4.077,279 2.991,280 6.187,281 3.9,282 2.932,283 3.461,284 0.589,285 9.242,286 2.84,287 3.9,288 2.788,289 5.429,290 3.577,291 2.582,292 3.196,293 0.42,294 7.208,295 2.571,296 3.583,297 2.705,298 5.342,299 3.469,300 2.482,301 2.829,303 6.965,304 2.444,305 3.464,306 2.553,307 5.208,308 3.197,309 2.214,310 2.521,312 6.53,313 2.175,314 3.199,315 2.368,316 4.88,317 2.957,318 1.968,319 2.235,321 5.273,322 1.93,323 2.771,324 1.618,325 4.238,326 2.416,327 1.437,328 1.862,330 3.832,331 1.405,332 2.5,333 1.554,334 3.746,335 2.202,336 1.219,337 1.5,339 2.748,340 1.196,341 2.298,342 1.266,343 3.503,344 2.052,345 1.142,346 1.289,347 2.681,348 1.034,349 2.184,350 1.212,351 3.414,352 2,353 1,354 1.148,355 2.275,356 1,357 2.149,358 1.099,359 3.399,360 1.888,361 0.927,362 1.051,363 2.216,364 0.888,365 1.969,366 1,367 3.276,368 1.687,369 0.712,370 0.94,371 1.723,372 0.692,373 1.727,374 0.716,375 3,376 1.618,377 0.618,378 0.618,379 1.372,380 0.618,381 1.618,382 0.618,383 3,384 1.42,385 0.436,386 0.504,387 1.034,388 0.426,389 1.521,390 0.433,391 2.893,392 1.368,393 0.377,394 0.43,395 0.886,396 0.371,397 13.1,398 0.468,399 0.571,400 0.02,401 29.75,402 1.063,403 11.5,404 0.411,405 18.25,406 0.652,407 26.496,408 0.946,409 31.9,410 0.57,411 20.376,412 0.728,413 5.265,414 0.188,415 8.422,416 0.301,417 0.051,419 0.305,420 0.77,421 1.318,422 0.868,423 1.151,424 0.694,425 1.042,426 0.674,427 1.281,428 0.958,429 1.236,430 0.619,431 1.156,432 0.865,433 1.102,434 0.984,435 1.108,436 0.927,437 1.077,438 1.142,439 0.934,440 0.944,441 0.841,442 1.171,443 0.851,444 1.42,445 0.856,446 1.028,447 0.797,448 1.303,449 0.83,450 1.455,451 1.107,452 1.052,453 0.993,454 1.186,455 0.969,456 1.203,457 0.895,458 1.12,459 0.92,460 1.004,461 0.982,462 0.897,463 1.095,464 1.129,465 1.161,466 0.81,467 1.178,468 5,469 0.131,470 3.111,471 1.194,472 1.092,473 0.653,474 0.374,475 0.284,476 0.198,477 0.127,478 12210,479 27119,480 2.137,481 50,482 11,483 10,486 3,487 2,489 2,490 1.702,491 2.049,492 3.684,493 0.917,494 1,495 1,497 85.612,498 1.529,499 3.562,500 4.646,501 5.129,502 5.129,503 5.129,504 3.115,505 4.28,506 4.776,507 3.925,508 1483.73,509 8.26,510 21251.8,511 1,512 1,513 325.212,514 1.198,515 4.76,516 0.161,517 0.007,518 0.074,519 0.033,520 0.033,521 0.022,522 0.012,523 0.01,524 0.008,525 0.006,526 0.367,527 0.33,528 1,529 0.444,530 145.377,531 0.027,532 -0.02,533 0.049,534 0.038,535 -0.008,536 0.044,537 0.094,538 -0.105,539 -0.029,540 -0.131,541 0.05,542 -0.108,543 0.047,544 -0.126,545 -0.014,546 -0.111,547 0.025,548 -0.083,549 0.008,551 0.076,552 0.068,553 0.07,554 0.084,555 -0.199,556 0.12,557 -0.003,558 0.124,559 -0.121,560 0.105,561 -0.188,562 -0.094,563 -0.039,564 0.003,565 -0.109,566 0.003,567 -0.155,568 0.183,569 -0.129,570 0.05,571 -0.112,572 -0.02,573 -0.059,574 -0.042,575 -0.179,576 -0.122,577 -0.067,578 -0.163,579 1.941,580 5.111,581 0.75,582 34.699,583 1,584 1.136,585 2.938,586 8.634,587 0.634,588 3.466,589 3.761,590 4.007,591 4.205,592 4.22,593 4.29,594 4.382,595 4.5,596 4.625,597 4.673,598 8.082,599 0.599,600 384.53,601 3.466,602 4.99,603 5.826,604 6.678,605 7.523,606 8.377,607 9.226,608 10.081,609 10.932,610 11.787,611 7.1,613 1,617 1,620 2,623 4,624 2,626 1,628 4,630 11,638 56,639 12,640 1,641 31,642 59,643 21,644 8,645 2,646 4,648 4,649 4,655 7,656 1,657 9,659 9,660 12,661 1,662 1,664 1,667 1,669 1,670 28,671 7,672 3,673 7,677 4,681 1,682 3,684 1,689 1,692 3,693 1,700 1,705 1,708 1,710 4,715 28,717 1,718 9,719 2,721 3,731 5.4,732 1,734 1,736 1,737 13.667,738 9.517,739 6.167,740 3.708,741 2.106,742 1.282,743 0.938,744 6.28,745 9.563,746 3.651,747 4.139,748 4.616,749 5.087,750 5.418,751 5.693,752 6.033,753 6.378,754 6.724,755 6.827,756 0.889,757 36,758 10.448,759 4.527,760 7.69,761 20.388,762 17.419,763 2.19,764 61.333,768 294.278,769 78.282,770 72.404,772 77.562,774 78.282,775 371.84,776 72.404,778 39.964,779 98.599,780 71.252,781 18.433,783 294.278,785 294.278,786 150.685,787 77.562,790 273.063,791 58.421,792 42.683,793 62.995,794 48.981,795 36.382,797 294.278,798 149.966,799 78.282,801 294.278,802 40.377,803 37.905,804 36.022,805 113.945,806 294.278,807 149.966,808 78.282,810 0.577,811 0.336,812 0.173,813 0.075,814 20,815 8,816 0.119,817 7,819 1,820 4.265,821 228.017,823 21,824 126.606,826 19.409,827 9.06,828 4.939,830 149.966,831 7.775,832 8.627,834 5.406,836 3.199,838 78.705,839 522.525,840 37.5,842 12.111,845 -0.167,846 55.992,847 63.604,848 0.263,849 0.613,850 0.8,851 0.883,852 0.883,853 0.883,854 4.888,855 1.219,856 5.784,857 3.832,858 4.443,859 4.824,860 2.135,861 6.535,862 4.397,863 6.031,864 1.142,865 7.306,866 2.748,867 3.892,868 4.443,869 1.593,870 7.31,871 3.827,872 7.298,873 1,874 8.925,875 2.681,876 5.984,877 6.834,878 3.045,879 10.363,880 5.894,881 8.598,882 0.927,883 10.603,884 2.275,885 6.312,886 7.329,887 3.114,888 11.995,889 6.195,890 9.933,891 0.712,892 12.319,893 2.216,894 7.794,895 9.153,896 4.214,897 14.52,898 7.654,899 11.288,900 0.618,901 14.062,902 1.723,903 8.509,904 10.044,905 4.563,906 16.496,907 8.336,908 12.659,909 0.436,910 15.824,911 1.372,912 9.749,913 11.636,914 5.473,915 18.846,916 9.554,917 2.973,918 0.377,919 17.601,920 1.034,921 10.647,922 12.733,923 5.966,924 20.971,925 10.417,926 2.932,927 9.645,928 19.388,929 0.886,930 11.787,931 14.216,932 6.771,933 23.258,934 11.532,935 2.582,936 9.242,937 21.185,938 3.978,939 12.774,940 15.428,941 7.343,942 25.451,943 12.483,944 2.482,945 7.208,946 22.989,947 3.461,948 13.872,949 16.855,950 8.089,951 27.714,952 13.554,953 2.214,954 6.965,955 24.799,956 3.196,957 14.903,958 18.134,959 8.704,960 29.938,961 14.55,962 1.968,963 6.53,964 26.614,965 2.829,966 15.985,967 19.534,968 9.418,969 32.193,970 15.603,971 1.437,972 5.273,973 28.433,974 2.521,975 17.038,976 20.851,977 10.058,978 34.432,979 16.622,980 11385,981 17159,982 21.266,983 35.523,984 46.247,985 46.695,986 46.525,987 46.075,988 46.04,989 55.124,990 5.931,991 127.265,992 44.955,993 5.269,994 5.767,995 6.024,996 4.987,997 4.973,998 6.978,999 3.426,1000 16.16,1001 4.889,1002 10.025,1003 1.492,1004 1.506,1005 1.501,1006 1.486,1007 1.485,1008 1.778,1009 0.191,1010 4.105,1011 1.45,1012 4.014,1013 4.049,1014 3.964,1015 3.909,1016 7.428,1017 3.912,1018 3.89,1019 3.941,1020 3.787,1021 3.795,1022 6.449,1023 3.78,1024 3.865,1025 3.913,1026 3.758,1027 3.687,1028 5.287,1029 3.7,1030 3.715,1031 3.755,1032 3.646,1033 3.494,1034 4.694,1035 3.529,1036 3.409,1037 3.473,1038 3.299,1039 3.206,1040 4.298,1041 3.212,1042 3.255,1043 3.324,1044 3.094,1045 3.042,1046 4.272,1047 3.057,1048 2.999,1049 3.054,1050 2.859,1051 2.816,1052 4.015,1053 2.818,1054 2.888,1055 2.979,1056 2.701,1057 2.735,1058 3.842,1059 2.715,1060 0.139,1061 0.122,1062 0.206,1063 0.127,1064 0.096,1065 4.309,1066 0.128,1067 3.767,1068 0.063,1069 6.393,1070 0.311,1071 3.947,1072 0.093,1073 2.973,1074 3.978,1075 1.957,1076 9.645,1077 2.889,1078 1.928,1079 1.901,1080 2.035,1081 2.017,1082 1.372,1083 2.024,1084 1.748,1085 1.696,1086 1.969,1087 1.901,1088 1.211,1089 1.925,1090 1.616,1091 1.579,1092 1.86,1093 1.831,1094 1.185,1095 1.813,1096 1.577,1097 1.507,1098 1.815,1099 1.751,1100 1.154,1101 1.793,1102 1.495,1103 1.422,1104 1.714,1105 1.735,1106 0.933,1107 1.749,1108 1.37,1109 1.316,1110 1.604,1111 1.59,1112 0.897,1113 1.588,1114 1.276,1115 1.22,1116 1.497,1117 1.533,1118 0.698,1119 1.518,1120 0.975,1121 0.907,1122 1.181,1123 1.313,1124 0.243,1125 1.248,1126 4.143,1128 5.442,1129 3.434,1130 6.907,1131 5.638,1132 8.444,1133 7.573,1134 10.022,1139 9.775,1140 9.038,1141 5.881,1143 -0.31,1148 33.552,1149 85.612,1150 199.463,1151 260.192,1152 287.212,1153 287.212,1154 287.212,1155 53.577,1156 7.457,1157 100.28,1158 100.28,1159 21,1160 12.342,1161 3.7,1162 2.907,1163 42.864,1164 137,1165 116,1166 0.15,1167 204.238,1168 355.15,1169 490.1,1170 19742,1172 19.347,1173 0.691,1174 0.574,1175 19.347,1176 16.064,1177 13.687,1178 0.442,1179 0.332,1180 10.171,1181 13.171,1182 10.032,1183 8.261,1184 13.687,1185 10.299,1186 12.074,1187 0.287,1188 0.188,1189 12.074,1190 7.903,1191 10.287,1192 0.19,1193 0.109,1194 10.287,1195 5.86,1196 8.255,1197 0.125,1198 0.063,1199 8.255,1200 4.128,1201 5.401,1202 0.081,1203 0.033,1204 5.401,1205 2.186,1206 0.246,1207 85.954,1208 0.217,1209 27.729,1210 0.383,1211 146,1212 401.577,1213 161.243,1214 382.084,1215 519.5,1216 358,1217 169,1218 383.848,1219 185.022,1220 380.627,1221 554.97,1222 360,1223 7.167} {0 CHEMBL1209543,1 1.574,2 12.5,3 1.15,4 1.323,5 94.717,6 7.129,7 0.379,8 4.023,9 4.146,10 3.549,11 3.516,12 5.068,13 3.5,14 4.573,15 4.754,16 3.85,17 3.891,18 5.573,19 3.835,20 4.837,21 5.078,22 3.819,23 3.94,24 5.834,25 3.849,26 4.806,27 5.056,28 3.754,29 3.818,30 5.928,31 3.747,32 4.637,33 4.882,34 3.615,35 3.689,36 5.663,37 3.634,38 4.458,39 4.661,40 3.52,41 3.651,42 5.487,43 3.583,44 4.455,45 4.695,46 3.449,47 3.65,48 5.426,49 3.547,50 4.427,51 4.653,52 3.382,53 3.629,54 5.373,55 3.512,56 0.105,57 0.752,58 11.234,59 4.59,60 12.039,61 6.258,62 0.247,63 1.181,64 20.837,65 7.626,66 28.19,67 10.901,68 0.468,69 1.314,70 29.566,71 9.319,72 55.755,73 13.786,74 0.614,75 1.226,76 29.561,77 7.757,78 85.487,79 11.992,80 0.45,81 1.046,82 24.833,83 6.508,84 53.466,85 9.839,86 0.314,87 0.932,88 19.805,89 6.383,90 37.686,91 8.981,92 0.266,93 0.952,94 19.623,95 6.643,96 33.391,97 9.725,98 0.244,99 0.903,100 18.95,101 6.829,102 28.328,103 9.803,104 5,105 40,106 0.267,107 0.633,108 0.808,109 0.862,110 0.862,111 0.862,112 3.303,113 0.962,114 -3.72,115 -3.68,116 -3.5,117 38,119 5,120 1,123 2,124 2,130 4,131 2,136 1,142 1,144 1,149 1,151 11,152 2,153 4,154 1,156 3,158 9,161 8,163 1,164 2,165 2,167 5,170 11,172 1,173 1,174 3,176 1,179 11,183 2,185 3,188 5,191 3,193 6,196 1,197 2,199 4,200 9,204 1,205 3,206 9,208 2,213 2,214 6,216 988,217 17.809,218 17.809,219 17.809,220 17.809,221 17.809,222 16.424,223 16.585,224 10.467,225 18.024,226 14.298,227 14.298,228 14.298,229 14.298,230 14.298,231 12.115,232 18.297,233 4.975,234 14.649,235 4.07,236 1.91,237 0.88,238 0.56,239 0.56,240 0.56,241 3.99,244 1,245 1,246 718,247 3.24,248 56.368,250 170.093,251 92.66,256 2.346,257 28.044,259 1,260 1,261 1,262 1,263 1,264 1,265 1,266 1,267 57,268 325,269 4.309,270 3.767,271 6.393,272 3.947,273 2.973,274 3.978,275 1.957,276 9.645,277 2.889,278 4.077,279 2.992,280 6.187,281 3.901,282 2.933,283 3.461,284 0.589,285 9.242,286 2.841,287 3.901,288 2.791,289 5.517,290 3.67,291 2.671,292 3.196,293 0.42,294 7.456,295 2.668,296 3.665,297 2.72,298 5.375,299 3.489,300 2.506,301 2.834,303 7.068,304 2.459,305 3.499,306 2.63,307 5.227,308 3.202,309 2.219,310 2.634,312 6.576,313 2.179,314 3.199,315 2.388,316 4.88,317 2.957,318 1.968,319 2.235,321 5.274,322 1.929,323 2.767,324 1.618,325 4.239,326 2.366,327 1.398,328 1.859,330 3.83,331 1.35,332 2.5,333 1.54,334 3.746,335 2.052,336 1.143,337 1.5,339 2.7,340 1.034,341 2.202,342 1.216,343 3.414,344 2,345 1,346 1.148,347 2.275,348 1,349 2.149,350 1.129,351 3.4,352 1.906,353 0.941,354 1.076,355 2.226,356 0.905,357 1.971,358 1,359 3.323,360 1.777,361 0.79,362 0.94,363 1.908,364 0.778,365 1.854,366 0.79,367 3.232,368 1.613,369 0.653,370 0.792,371 1.582,372 0.625,373 1.721,374 0.654,375 2.976,376 1.4,377 0.4,378 0.482,379 0.939,380 0.395,381 0.975,382 0.115,383 2.494,384 0.705,385 -0.282,386 -0.305,387 -0.687,388 -0.278,389 0.753,390 -0.103,391 2.278,392 0.562,393 -0.43,394 -0.519,395 -1.01,396 -0.423,397 12.1,398 0.465,399 0.571,400 0.022,401 28.75,402 1.106,403 11.5,404 0.442,405 17.25,406 0.663,407 22.449,408 0.863,409 29.3,410 0.586,411 19.645,412 0.756,413 5.265,414 0.202,415 7.422,416 0.285,417 0.055,419 0.331,420 0.774,421 1.3,422 0.828,423 1.115,424 0.697,425 0.999,426 0.702,427 1.3,428 0.956,429 1.246,430 0.647,431 1.16,432 0.948,433 1.06,434 0.949,435 1.036,436 1.024,437 1.004,438 1.267,439 0.993,440 1.024,441 0.878,442 1.297,443 0.894,444 1.525,445 0.844,446 1.065,447 0.763,448 1.397,449 0.806,450 1.427,451 1.076,452 1.152,453 1.018,454 1.227,455 1.043,456 0.78,457 0.902,458 1.006,459 1.016,460 0.849,461 1.037,462 0.802,463 1.1,464 1.057,465 1.179,466 0.749,467 1.174,468 5,469 0.12,470 3.167,471 1.194,472 1.002,473 0.671,474 0.315,475 0.243,476 0.193,477 0.127,478 10002,479 23523,480 2.148,481 48,482 7,483 10,486 3,487 2,489 2,490 1.682,491 2.053,492 3.587,493 0.974,494 1,495 1,497 78.688,498 1.574,499 3.734,500 4.764,501 5.084,502 5.084,503 5.084,504 3.109,505 3.95,506 4.668,507 3.826,508 1243.36,509 8.047,510 16632.9,511 1,513 282.193,514 1.239,515 4.65,516 0.172,517 0.008,518 0.086,519 0.035,520 0.032,521 0.024,522 0.012,523 0.01,524 0.009,525 0.007,526 0.395,527 0.33,528 1,529 0.465,530 131.219,531 0.014,532 -0.021,533 0.047,534 0.044,535 -0.02,536 0.049,537 0.087,538 -0.143,539 -0.046,540 -0.172,541 0.04,542 -0.143,543 0.03,544 -0.084,545 0.03,546 -0.052,548 -0.022,549 -0.048,550 -0.029,551 0.004,552 0.031,553 0.027,554 0.032,555 -0.257,556 0.139,557 -0.033,558 0.145,559 -0.167,560 0.114,561 -0.25,562 -0.05,563 -0.17,564 -0.002,565 -0.148,566 -0.065,567 -0.028,568 0.144,569 -0.066,570 -0.01,571 -0.048,572 -0.037,573 -0.013,574 -0.09,575 -0.125,576 -0.129,577 -0.037,578 -0.147,579 1.94,580 5.068,581 0.731,582 29.385,583 1.005,584 1.135,585 2.488,586 6.19,587 0.64,588 3.401,589 3.714,590 3.912,591 4.094,592 4.159,593 4.234,594 4.304,595 4.407,596 4.522,597 4.511,598 7.537,599 0.61,600 356.47,601 3.401,602 4.934,603 5.778,604 6.637,605 7.489,606 8.349,607 9.204,608 10.064,609 10.92,610 11.78,611 8,613 1,617 1,620 2,623 4,624 2,626 1,628 4,630 11,638 50,639 12,640 1,641 29,642 53,643 19,644 8,645 2,646 4,648 4,649 4,655 5,656 1,657 7,659 9,660 10,661 1,662 1,664 1,667 1,668 1,669 1,670 24,671 7,672 3,673 7,677 4,681 1,682 3,684 1,689 1,690 1,692 2,693 1,700 1,705 1,708 1,710 4,715 26,717 1,718 7,719 2,721 3,731 6,732 1,734 1,736 1,737 12.667,738 8.517,739 5.667,740 3.208,741 2.08,742 1.289,743 0.942,744 5.228,745 9.284,746 3.597,747 4.107,748 4.566,749 5.043,750 5.4,751 5.679,752 6.014,753 6.352,754 6.691,755 6.762,756 1,757 34,758 9.688,759 4.238,760 7.744,761 18.755,762 16.086,763 2.244,764 58.333,768 247.193,769 73.213,770 72.404,772 77.562,774 73.213,775 324.756,776 72.404,778 34.895,779 98.599,780 71.252,781 18.433,783 247.193,785 247.193,786 145.616,787 77.562,790 225.979,791 58.421,792 42.683,793 57.926,794 48.981,795 36.382,797 247.193,798 149.966,799 73.213,801 247.193,802 35.308,803 37.905,804 36.022,805 113.945,806 247.193,807 149.966,808 73.213,810 0.583,811 0.322,812 0.161,813 0.073,814 20,815 8,816 0.132,817 7,819 1,820 4.118,821 207.051,823 19,824 116.211,826 17.502,827 7.767,828 4.641,830 149.966,831 7.738,832 8.519,834 5.325,836 3.178,838 78.705,839 470.372,840 35.5,842 12.068,845 -0.169,846 50.225,847 56.773,848 0.279,849 0.662,850 0.844,851 0.901,852 0.901,853 0.901,854 4.842,855 1.143,856 5.746,857 3.83,858 4.394,859 4.792,860 2.135,861 6.512,862 4.347,863 6.012,864 1,865 7.283,866 2.7,867 4.007,868 4.511,869 1.593,870 7.38,871 3.95,872 7.293,873 0.941,874 8.916,875 2.275,876 5.974,877 6.83,878 3.045,879 10.371,880 5.883,881 8.605,882 0.79,883 10.605,884 2.226,885 6.382,886 7.355,887 3.114,888 12.033,889 6.273,890 9.947,891 0.653,892 12.329,893 1.908,894 7.814,895 9.158,896 4.214,897 14.54,898 7.678,899 11.307,900 0.4,901 14.077,902 1.582,903 8.566,904 10.056,905 4.563,906 16.523,907 8.404,908 12.68,909 -0.282,910 15.842,911 0.939,912 9.787,913 11.642,914 5.473,915 18.866,916 9.6,917 2.973,918 -0.43,919 17.62,920 -0.687,921 10.701,922 12.74,923 5.966,924 20.991,925 10.484,926 2.933,927 9.645,928 19.409,929 -1.01,930 11.833,931 14.22,932 6.771,933 23.274,934 11.59,935 2.671,936 9.242,937 21.205,938 3.978,939 12.826,940 15.431,941 7.343,942 25.465,943 12.552,944 2.506,945 7.456,946 23.009,947 3.461,948 13.92,949 16.858,950 8.089,951 27.726,952 13.619,953 2.219,954 7.068,955 24.818,956 3.196,957 14.952,958 18.136,959 8.704,960 29.948,961 14.619,962 1.968,963 6.576,964 26.632,965 2.834,966 16.032,967 19.535,968 9.418,969 32.202,970 15.671,971 1.398,972 5.274,973 28.451,974 2.634,975 17.084,976 20.852,977 10.058,978 34.439,979 16.691,980 9261,981 14341,982 19.879,983 32,984 43.799,985 44.285,986 44.094,987 43.185,988 43.189,989 52.272,990 5.931,991 121.443,992 42.105,993 5.27,994 5.767,995 5.901,996 4.987,997 4.973,998 6.978,999 3.426,1000 16.16,1001 4.889,1002 9.456,1003 1.51,1004 1.527,1005 1.52,1006 1.489,1007 1.489,1008 1.802,1009 0.205,1010 4.188,1011 1.452,1012 4.017,1013 4.052,1014 3.965,1015 3.91,1016 7.428,1017 3.914,1018 3.907,1019 3.955,1020 3.797,1021 3.818,1022 6.449,1023 3.804,1024 3.864,1025 3.912,1026 3.77,1027 3.688,1028 5.287,1029 3.7,1030 3.704,1031 3.742,1032 3.642,1033 3.473,1034 4.694,1035 3.513,1036 3.401,1037 3.462,1038 3.295,1039 3.18,1040 4.3,1041 3.194,1042 3.158,1043 3.23,1044 3.003,1045 2.975,1046 4.279,1047 2.98,1048 2.975,1049 3.039,1050 2.811,1051 2.759,1052 4.015,1053 2.763,1054 2.885,1055 2.956,1056 2.701,1057 2.735,1058 3.816,1059 2.715,1060 0.149,1061 0.13,1062 0.22,1063 0.136,1064 0.103,1065 4.309,1066 0.137,1067 3.767,1068 0.067,1069 6.393,1070 0.333,1071 3.947,1072 0.1,1073 2.973,1074 3.978,1075 1.957,1076 9.645,1077 2.889,1078 1.928,1079 1.901,1080 2.035,1081 2.017,1082 1.227,1083 2.023,1084 1.638,1085 1.589,1086 1.863,1087 1.834,1088 1.184,1089 1.832,1090 1.614,1091 1.575,1092 1.815,1093 1.814,1094 1.153,1095 1.81,1096 1.495,1097 1.421,1098 1.714,1099 1.735,1100 0.933,1101 1.749,1102 1.297,1103 1.239,1104 1.513,1105 1.534,1106 0.825,1107 1.523,1108 1.153,1109 1.064,1110 1.501,1111 1.389,1112 0.704,1113 1.429,1114 1.106,1115 1.057,1116 1.347,1117 1.376,1118 0.633,1119 1.355,1120 0.966,1121 0.904,1122 1.181,1123 1.302,1124 0.218,1125 1.247,1126 4.078,1127 1.946,1128 5.389,1129 4.111,1130 6.872,1131 6.043,1132 8.427,1133 7.87,1134 10.021,1139 9.747,1140 6.335,1141 5.864,1143 -0.271,1148 30.498,1149 78.688,1150 186.706,1151 238.193,1152 254.193,1153 254.193,1154 254.193,1155 47.262,1156 7.203,1157 100.28,1158 100.28,1159 19,1160 12.331,1161 3.7,1162 2.907,1163 38.426,1164 121,1165 105,1166 0.156,1167 185.053,1168 320.55,1169 443.289,1170 13811,1172 17.933,1173 0.69,1174 0.563,1175 17.933,1176 14.649,1177 12.687,1178 0.437,1179 0.321,1180 9.171,1181 12.171,1182 9.051,1183 7.428,1184 12.687,1185 9.299,1186 11.367,1187 0.284,1188 0.18,1189 11.367,1190 7.196,1191 9.22,1192 0.188,1193 0.098,1194 9.22,1195 4.793,1196 7.245,1197 0.123,1198 0.053,1199 7.245,1200 3.118,1201 4.992,1202 0.079,1203 0.028,1204 4.992,1205 1.778,1206 0.255,1207 79.954,1208 0.224,1209 26.002,1210 0.4,1211 138,1212 393.577,1213 153.243,1214 373.761,1215 507.98,1216 350,1217 161,1218 375.848,1219 177.022,1220 372.304,1221 543.46,1222 352,1223 5.301} {0 CHEMBL1209544,1 1.509,2 14.034,3 2.519,4 6.345,5 108.52,6 6.755,7 0.344,8 4.167,9 4.296,10 3.645,11 3.662,12 5.163,13 3.629,14 4.761,15 4.948,16 3.989,17 4.094,18 5.695,19 4.02,20 5.09,21 5.345,22 3.961,23 4.198,24 5.984,25 4.07,26 5.081,27 5.357,28 3.859,29 4.071,30 6.065,31 3.947,32 4.894,33 5.168,34 3.721,35 3.916,36 5.803,37 3.812,38 4.705,39 4.934,40 3.702,41 3.838,42 5.664,43 3.758,44 4.679,45 4.919,46 3.672,47 3.824,48 5.65,49 3.739,50 4.612,51 4.839,52 3.548,53 3.797,54 5.558,55 3.686,56 0.098,57 0.867,58 13.943,59 5.605,60 11.905,61 7.855,62 0.242,63 1.424,64 26.157,65 9.737,66 27.775,67 14.106,68 0.462,69 1.68,70 38.059,71 12.646,72 56.49,73 18.905,74 0.624,75 1.566,76 38.731,77 10.997,78 88.675,79 17.261,80 0.452,81 1.308,82 32.107,83 9.032,84 56.031,85 14.02,86 0.315,87 1.151,88 26.015,89 8.095,90 40.433,91 11.947,92 0.363,93 1.166,94 25.338,95 7.569,96 41.921,97 11.477,98 0.308,99 1.094,100 23.354,101 7.658,102 35.242,103 11.381,104 5,105 43,106 0.247,107 0.571,108 0.748,109 0.838,110 0.854,111 0.854,112 3.407,113 1.012,114 -4.39,115 -4.32,116 -4.07,117 37.3,119 8,120 1,123 2,124 2,130 4,131 2,136 1,142 1,144 1,149 1,151 14,152 2,153 4,154 1,156 3,158 15,161 8,163 1,164 2,165 2,167 10,170 11,172 1,173 1,174 3,176 4,179 11,183 2,185 4,188 9,191 3,193 6,196 5,197 2,199 4,200 9,203 1,204 1,205 3,206 11,208 2,213 2,214 11,216 1476,217 19.93,218 19.93,219 19.93,220 19.93,221 19.93,222 18.545,223 16.585,224 11.953,225 20.145,226 15.798,227 15.798,228 15.798,229 15.798,230 15.798,231 13.615,232 18.297,233 5.7,234 16.149,235 4.374,236 2.402,237 1.323,238 0.771,239 0.678,240 0.678,241 4.105,244 1,245 1,246 886,247 3.24,250 189.755,251 216.565,256 2.587,257 28.824,259 1,260 1,261 1,262 1,263 1,264 1,265 1,266 1,267 63,268 407,269 4.309,270 3.767,271 6.393,272 3.947,273 2.973,274 3.978,275 1.957,276 9.645,277 2.889,278 4.077,279 2.991,280 6.187,281 3.9,282 2.932,283 3.461,284 0.589,285 9.242,286 2.84,287 3.899,288 2.787,289 5.425,290 3.566,291 2.572,292 3.196,293 0.42,294 7.199,295 2.557,296 3.574,297 2.704,298 5.337,299 3.461,300 2.473,301 2.829,303 6.949,304 2.438,305 3.452,306 2.54,307 5.204,308 3.196,309 2.213,310 2.501,312 6.522,313 2.174,314 3.199,315 2.361,316 4.88,317 2.957,318 1.968,319 2.235,321 5.273,322 1.93,323 2.774,324 1.618,325 4.238,326 2.523,327 1.529,328 1.864,330 3.834,331 1.52,332 2.5,333 1.58,334 3.746,335 2.309,336 1.339,337 1.5,339 3.111,340 1.295,341 2.487,342 1.438,343 3.628,344 2.052,345 1.143,346 1.486,347 2.697,348 1.034,349 2.195,350 1.215,351 3.414,352 2,353 1,354 1.148,355 2.275,356 1,357 2.149,358 1.116,359 3.4,360 2,361 1,362 1.061,363 2.219,364 1,365 2,366 1,367 3.283,368 1.892,369 0.931,370 1,371 2.136,372 0.892,373 1.97,374 1,375 3.247,376 1.703,377 0.724,378 0.94,379 1.748,380 0.706,381 1.731,382 0.726,383 3.061,384 1.489,385 0.518,386 0.58,387 1.238,388 0.502,389 1.632,390 0.522,391 2.957,392 1.395,393 0.395,394 0.473,395 0.926,396 0.39,397 13.6,398 0.469,399 0.571,400 0.02,401 30.25,402 1.043,403 11.5,404 0.397,405 18.75,406 0.647,407 28.529,408 0.984,409 33.2,410 0.563,411 20.702,412 0.714,413 5.265,414 0.182,415 8.922,416 0.308,417 0.049,419 0.294,420 0.769,421 1.326,422 0.886,423 1.166,424 0.693,425 1.06,426 0.672,427 1.29,428 0.973,429 1.248,430 0.617,431 1.17,432 0.844,433 1.083,434 0.965,435 1.087,436 0.905,437 1.056,438 1.084,439 0.976,440 0.971,441 0.91,442 1.107,443 0.917,444 1.317,445 0.822,446 0.968,447 0.774,448 1.209,449 0.801,450 1.396,451 1.093,452 1.033,453 0.992,454 1.139,455 0.968,456 1.231,457 0.923,458 1.077,459 0.916,460 0.997,461 0.953,462 1.111,463 1.081,464 1.179,465 1.105,466 0.891,467 1.143,468 5,469 0.132,470 3.111,471 1.16,472 1.118,473 0.712,474 0.345,475 0.327,476 0.217,477 0.122,478 13442,479 29109,480 2.132,481 50.8,482 13,483 10,486 3,487 2,489 2,490 1.711,491 2.047,492 3.751,493 0.891,495 1,497 89.007,498 1.509,499 3.481,500 4.56,501 5.111,502 5.205,503 5.205,504 3.22,505 4.418,506 4.827,507 3.98,508 1615.69,509 8.361,510 23870,511 1,512 1,513 347.076,514 1.178,515 4.812,516 0.156,517 0.006,518 0.072,519 0.03,520 0.033,521 0.023,522 0.011,523 0.011,524 0.008,525 0.005,526 0.356,527 0.17,528 1,529 0.434,530 152.569,531 0.033,532 -0.019,533 0.05,534 0.035,535 -0.002,536 0.042,537 0.098,538 -0.111,539 -0.033,540 -0.136,541 0.054,542 -0.113,543 0.053,544 -0.098,545 0.003,546 -0.082,547 0.032,548 -0.056,549 0.017,550 -0.038,551 0.036,552 0.013,553 0.078,554 0.028,555 -0.153,556 0.127,557 0.049,558 0.145,559 -0.086,560 0.138,561 -0.161,562 -0.087,563 -0.022,564 0.006,565 -0.089,566 0.011,567 -0.13,568 0.145,569 -0.072,570 0.047,571 -0.096,572 0.007,573 -0.12,574 -0.013,575 -0.202,576 -0.085,577 -0.098,578 -0.146,579 1.942,580 5.13,581 0.759,582 37.265,583 0.998,584 1.136,585 3.157,586 9.968,587 0.632,588 3.497,589 3.784,590 4.025,591 4.22,592 4.304,593 4.317,594 4.407,595 4.522,596 4.663,597 4.71,598 8.356,599 0.595,600 398.56,601 3.497,602 5.017,603 5.849,604 6.698,605 7.541,606 8.392,607 9.238,608 10.091,609 10.94,610 11.794,611 6.8,613 1,617 1,620 2,623 4,624 2,626 1,628 4,630 11,638 59,639 12,640 1,641 32,642 62,643 22,644 8,645 2,646 4,648 4,649 4,655 8,656 1,657 10,659 9,660 13,661 1,662 1,664 1,667 1,669 1,670 30,671 7,672 3,673 7,677 4,681 1,682 3,684 1,689 1,692 2,693 2,700 1,705 1,708 1,710 4,715 29,717 1,718 10,719 2,721 3,731 5.1,732 1,734 1,736 1,737 14.167,738 10.017,739 6.417,740 3.958,741 2.114,742 1.279,743 0.936,744 6.832,745 9.678,746 3.676,747 4.155,748 4.626,749 5.093,750 5.444,751 5.7,752 6.038,753 6.382,754 6.731,755 6.837,756 1,757 39,758 10.828,759 4.672,760 7.667,761 21.205,762 18.086,763 2.167,764 62.833,767 1,768 317.82,769 80.816,770 72.404,772 77.562,774 80.816,775 395.382,776 72.404,778 42.498,779 98.599,780 71.252,781 18.433,783 317.82,785 317.82,786 153.22,787 77.562,790 296.605,791 58.421,792 42.683,793 65.529,794 48.981,795 36.382,797 317.82,798 149.966,799 80.816,801 317.82,802 42.911,803 37.905,804 36.022,805 113.945,806 317.82,807 149.966,808 80.816,810 0.575,811 0.333,812 0.172,813 0.082,814 20,815 8,816 0.113,817 7,819 1,820 4.351,821 238.167,823 22,824 132.881,826 20.367,827 9.728,828 5.372,830 149.966,831 7.79,832 8.669,834 5.438,836 3.207,838 78.705,839 548.602,840 38.5,842 12.13,845 -0.167,846 58.876,847 67.019,848 0.256,849 0.592,850 0.775,851 0.869,852 0.885,853 0.885,854 4.911,855 1.339,856 5.802,857 3.834,858 4.466,859 4.84,860 2.135,861 6.547,862 4.422,863 6.048,864 1.143,865 7.319,866 3.111,867 3.892,868 4.443,869 1.593,870 7.31,871 3.827,872 7.31,873 1,874 8.934,875 2.697,876 5.999,877 6.841,878 3.045,879 10.366,880 5.911,881 8.606,882 1,883 10.609,884 2.275,885 6.293,886 7.323,887 3.114,888 11.99,889 6.174,890 9.937,891 0.931,892 12.323,893 2.219,894 7.802,895 9.155,896 4.214,897 14.521,898 7.664,899 11.29,900 0.724,901 14.064,902 2.136,903 8.491,904 10.04,905 4.563,906 16.493,907 8.316,908 12.659,909 0.518,910 15.825,911 1.748,912 9.751,913 11.637,914 5.473,915 18.845,916 9.557,917 2.973,918 0.395,919 17.6,920 1.238,921 10.634,922 12.731,923 5.966,924 20.97,925 10.4,926 2.932,927 9.645,928 19.387,929 0.926,930 11.785,931 14.216,932 6.771,933 23.257,934 11.53,935 2.572,936 9.242,937 21.184,938 3.978,939 12.764,940 15.427,941 7.343,942 25.45,943 12.469,944 2.473,945 7.199,946 22.987,947 3.461,948 13.868,949 16.855,950 8.089,951 27.713,952 13.549,953 2.213,954 6.949,955 24.797,956 3.196,957 14.895,958 18.133,959 8.704,960 29.937,961 14.539,962 1.968,963 6.522,964 26.612,965 2.829,966 15.981,967 19.534,968 9.418,969 32.193,970 15.597,971 1.529,972 5.273,973 28.432,974 2.501,975 17.032,976 20.851,977 10.058,978 34.431,979 16.613,980 12569,981 18722,982 21.959,983 37.285,984 47.802,985 48.259,986 48.172,987 47.434,988 47.417,989 56.503,990 5.931,991 130.029,992 46.333,993 5.309,994 5.767,995 6.195,996 4.987,997 4.973,998 6.978,999 3.426,1000 16.16,1001 4.889,1002 10.303,1003 1.494,1004 1.508,1005 1.505,1006 1.482,1007 1.482,1008 1.766,1009 0.185,1010 4.063,1011 1.448,1012 4.014,1013 4.049,1014 3.963,1015 3.909,1016 7.428,1017 3.912,1018 3.886,1019 3.937,1020 3.785,1021 3.79,1022 6.449,1023 3.774,1024 3.866,1025 3.914,1026 3.754,1027 3.687,1028 5.287,1029 3.7,1030 3.72,1031 3.76,1032 3.648,1033 3.505,1034 4.694,1035 3.536,1036 3.419,1037 3.485,1038 3.302,1039 3.231,1040 4.298,1041 3.232,1042 3.313,1043 3.378,1044 3.159,1045 3.088,1046 4.271,1047 3.108,1048 3.111,1049 3.206,1050 2.887,1051 2.941,1052 4.016,1053 2.91,1054 3.021,1055 3.078,1056 2.866,1057 2.863,1058 3.863,1059 2.86,1060 0.135,1061 0.118,1062 0.2,1063 0.123,1064 0.093,1065 4.309,1066 0.124,1067 3.767,1068 0.061,1069 6.393,1070 0.301,1071 3.947,1072 0.09,1073 2.973,1074 3.978,1075 1.957,1076 9.645,1077 2.889,1078 1.928,1079 1.902,1080 2.124,1081 2.042,1082 1.528,1083 2.073,1084 1.903,1085 1.851,1086 2.034,1087 2.016,1088 1.185,1089 2.023,1090 1.616,1091 1.579,1092 1.815,1093 1.832,1094 1.154,1095 1.813,1096 1.545,1097 1.49,1098 1.789,1099 1.746,1100 1.116,1101 1.757,1102 1.494,1103 1.421,1104 1.714,1105 1.735,1106 0.933,1107 1.747,1108 1.295,1109 1.236,1110 1.513,1111 1.534,1112 0.825,1113 1.522,1114 1.153,1115 1.064,1116 1.501,1117 1.385,1118 0.717,1119 1.429,1120 1.121,1121 1.059,1122 1.406,1123 1.376,1124 0.686,1125 1.379,1126 4.174,1128 5.468,1129 3.045,1130 6.938,1131 5.283,1132 8.482,1133 7.261,1134 10.065,1139 9.787,1140 10.413,1141 5.889,1143 -0.322,1148 35.078,1149 89.007,1150 205.383,1151 269.018,1152 301.566,1153 307.076,1154 307.076,1155 56.84,1156 7.565,1157 100.28,1158 100.28,1159 22,1160 12.35,1161 3.7,1162 2.907,1163 45.16,1164 146,1165 133,1166 0.147,1167 213.83,1168 372.45,1169 513.505,1170 23006,1172 20.054,1173 0.692,1174 0.578,1175 20.054,1176 16.771,1177 14.187,1178 0.443,1179 0.337,1180 10.671,1181 13.671,1182 10.522,1183 8.677,1184 14.187,1185 10.799,1186 12.428,1187 0.289,1188 0.192,1189 12.428,1190 8.257,1191 10.537,1192 0.192,1193 0.111,1194 10.537,1195 6.11,1196 8.432,1197 0.126,1198 0.064,1199 8.432,1200 4.305,1201 6.013,1202 0.082,1203 0.038,1204 6.013,1205 2.798,1206 0.242,1207 88.954,1208 0.213,1209 28.587,1210 0.375,1211 150,1212 405.577,1213 165.243,1214 386.246,1215 525.26,1216 362,1217 173,1218 387.848,1219 189.022,1220 384.788,1221 560.73,1222 364,1223 7.602} {0 CHEMBL1209545,1 1.56,2 14.034,3 1.846,4 3.408,5 107.465,6 7.406,7 0.531,8 4.075,9 4.192,10 3.632,11 3.602,12 5.184,13 3.587,14 4.607,15 4.77,16 3.968,17 3.995,18 5.67,19 3.95,20 4.885,21 5.107,22 3.934,23 4.064,24 5.92,25 3.977,26 4.875,27 5.116,28 3.836,29 3.937,30 6.002,31 3.858,32 4.721,33 4.965,34 3.703,35 3.819,36 5.751,37 3.748,38 4.56,39 4.768,40 3.68,41 3.761,42 5.611,43 3.699,44 4.556,45 4.787,46 3.647,47 3.753,48 5.589,49 3.681,50 4.505,51 4.727,52 3.522,53 3.724,54 5.506,55 3.625,56 0.105,57 0.78,58 11.033,59 4.795,60 13.56,61 6.241,62 0.238,63 1.259,64 20.222,65 8.055,66 29.175,67 10.901,68 0.443,69 1.477,70 29.895,71 10.451,72 58.248,73 14.558,74 0.605,75 1.408,76 31.04,77 9.185,78 89.177,79 13.167,80 0.427,81 1.209,82 26.55,83 7.949,84 57.439,85 11.247,86 0.271,87 1.055,88 21.495,89 7.508,90 40.162,91 10.161,92 0.315,93 1.09,94 21.562,95 7.17,96 39.641,97 10.09,98 0.291,99 1.016,100 20.248,101 7.205,102 32.853,103 10.034,104 5,105 43,106 0.259,107 0.618,108 0.77,109 0.847,110 0.868,111 0.868,112 3.407,113 0.922,114 -4.15,115 -4.1,116 -3.88,117 41.5,119 3,123 2,124 2,130 9,131 3,136 1,142 1,144 1,149 1,151 14,152 2,153 4,154 1,156 3,158 15,161 8,163 1,164 2,165 2,167 10,170 11,172 1,173 1,174 3,176 4,179 11,183 2,185 4,188 9,191 3,193 6,196 5,197 2,199 4,200 9,203 1,204 1,205 3,206 11,208 2,213 2,214 11,216 1476,217 19.93,218 19.93,219 19.93,220 19.93,221 19.93,222 17.794,223 18.655,224 11.953,225 20.145,226 15.798,227 15.798,228 15.798,229 15.798,230 15.798,231 12.571,232 19.768,233 5.7,234 16.149,235 4.168,236 2.001,237 1.081,238 0.618,239 0.491,240 0.491,241 4.105,244 1,245 1,246 886,247 3.24,250 189.755,251 216.565,256 2.587,257 28.752,259 1,260 1,261 1,262 0.8,263 0.5,264 1,265 1,266 0.9,267 63,268 407,269 4.31,270 3.767,271 6.393,272 3.947,273 2.973,274 3.978,275 1.957,276 9.645,277 2.889,278 4.077,279 2.998,280 6.187,281 3.9,282 2.932,283 3.48,284 0.589,285 9.242,286 2.84,287 3.929,288 2.802,289 5.425,290 3.566,291 2.572,292 3.424,293 0.42,294 7.199,295 2.557,296 3.862,297 2.744,298 5.337,299 3.461,300 2.473,301 3.195,303 6.949,304 2.438,305 3.518,306 2.649,307 5.204,308 3.196,309 2.213,310 2.819,312 6.522,313 2.174,314 3.199,315 2.382,316 4.88,317 2.957,318 1.968,319 2.236,321 5.273,322 1.93,323 2.935,324 1.622,325 4.238,326 2.523,327 1.529,328 2.105,330 3.834,331 1.52,332 2.746,333 1.615,334 3.746,335 2.309,336 1.339,337 1.839,339 3.111,340 1.295,341 2.5,342 1.478,343 3.628,344 2.052,345 1.143,346 1.5,347 2.697,348 1.034,349 2.5,350 1.215,351 3.414,352 2,353 1,354 1.5,355 2.275,356 1,357 2.199,358 1.116,359 3.4,360 2,361 1,362 1.148,363 2.219,364 1,365 2.149,366 1,367 3.283,368 1.892,369 0.931,370 1.066,371 2.136,372 0.892,373 1.97,374 1,375 3.247,376 1.703,377 0.724,378 0.94,379 1.748,380 0.706,381 1.767,382 0.728,383 3.061,384 1.489,385 0.518,386 0.63,387 1.238,388 0.502,389 1.711,390 0.552,391 2.957,392 1.395,393 0.395,394 0.477,395 0.926,396 0.39,397 13.6,398 0.469,399 0.571,400 0.02,401 36.25,402 1.25,403 17.5,404 0.603,405 18.75,406 0.647,407 22.892,408 0.789,409 31.4,410 0.592,411 26.338,412 0.908,413 7.247,414 0.25,415 6.94,416 0.239,417 0.049,419 0.294,420 0.777,421 1.199,422 0.801,423 1.03,424 0.724,425 0.936,426 0.72,427 1.21,428 0.93,429 1.156,430 0.694,431 1.089,432 0.969,433 1.081,434 1.017,435 1.082,436 1.069,437 1.067,438 1.26,439 1.01,440 1.081,441 0.934,442 1.301,443 0.962,444 1.388,445 0.858,446 1.048,447 0.814,448 1.3,449 0.851,450 1.262,451 1.115,452 0.986,453 1.023,454 1.083,455 0.978,456 1.02,457 0.897,458 0.976,459 0.904,460 0.888,461 0.919,462 0.973,463 1.009,464 1.086,465 1.045,466 0.809,467 1.078,468 5,469 0.132,470 3.111,471 1.16,472 1.118,473 0.712,474 0.345,475 0.327,476 0.217,477 0.122,478 13442,479 34314,480 2.132,481 45.3,482 2,483 15,486 3,487 2,489 2,490 1.711,491 2.047,492 3.751,493 0.891,494 1,495 1,497 82.678,498 1.56,499 3.726,500 4.647,501 5.11,502 5.237,503 5.237,504 3.22,505 4.418,506 4.827,507 3.98,508 1615.69,509 8.361,510 23870,511 1,512 1,513 303.58,514 1.178,515 4.812,516 0.156,517 0.006,518 0.072,519 0.03,520 0.033,521 0.023,522 0.011,523 0.011,524 0.008,525 0.005,526 0.356,527 0.33,528 1,529 0.434,530 152.569,531 0.015,532 -0.004,533 0.039,534 0.045,535 -0.048,536 0.045,537 0.081,538 -0.083,539 -0.044,540 -0.124,541 0.003,542 -0.111,543 0.013,544 -0.092,545 -0.045,546 -0.094,547 -0.041,548 -0.087,549 -0.051,550 -0.034,551 -0.051,552 -0.008,554 -0.023,555 -0.208,556 0.121,557 -0.022,558 0.118,559 -0.125,560 0.094,561 -0.135,562 -0.142,563 -0.003,564 -0.025,565 -0.053,566 -0.001,567 -0.069,568 0.13,570 0.058,571 -0.042,572 0.046,573 -0.072,574 -0.008,575 -0.129,576 -0.048,577 -0.058,578 -0.09,579 1.952,580 5.118,581 0.759,582 37.265,583 1.004,584 1.128,585 2.924,586 8.551,587 0.66,588 3.497,589 3.784,590 4.025,591 4.22,592 4.304,593 4.317,594 4.407,595 4.522,596 4.663,597 4.71,598 8.356,599 0.632,600 392.5,601 3.497,602 5.017,603 5.849,604 6.698,605 7.541,606 8.392,607 9.238,608 10.091,609 10.94,610 11.794,611 7.5,613 1,617 1,620 2,623 9,624 2,626 1,628 5,630 17,638 53,639 18,640 2,641 32,642 56,643 22,644 14,645 3,646 9,648 4,649 4,655 3,657 5,659 15,660 7,662 1,664 1,667 1,669 1,670 24,671 7,672 3,673 7,677 4,681 1,682 3,684 1,689 1,692 2,693 2,700 1,705 1,708 1,710 4,715 29,717 1,718 5,719 2,721 2,731 5.7,732 1,734 1,736 1,737 14.167,738 9.1,739 6.417,740 3.194,741 3.07,742 1.406,743 0.954,744 6.229,745 10.635,746 3.75,747 4.28,748 4.786,749 5.276,750 5.668,751 5.82,752 6.163,753 6.54,754 6.935,755 7.124,756 1,757 39,758 10.754,759 4.614,760 7.764,761 20.566,762 17.026,763 2.264,764 65.667,768 247.193,769 118.711,770 72.404,772 77.562,774 118.711,775 324.756,776 72.404,778 29.826,779 145.98,780 71.252,781 21.619,783 247.193,785 247.193,786 191.114,787 77.562,790 225.979,791 58.421,792 42.683,793 52.856,794 99.548,795 36.382,797 247.193,798 149.966,799 118.711,801 247.193,802 33.424,803 85.286,804 36.022,805 113.945,806 247.193,807 149.966,808 118.711,810 0.575,811 0.333,812 0.172,813 0.082,814 20,815 8,816 0.125,817 7,819 1,820 4.351,821 238.167,823 22,824 132.881,826 19.62,827 9.206,828 5.027,830 149.966,831 17.874,832 8.548,834 5.368,836 4.23,838 78.705,839 515.87,840 41.5,842 12.118,845 -0.18,846 53.225,847 59.773,848 0.272,849 0.651,850 0.811,851 0.892,852 0.914,853 0.914,854 4.965,855 1.339,856 5.802,857 3.834,858 4.466,859 4.966,860 2.135,861 6.547,862 4.422,863 6.128,864 1.143,865 7.319,866 3.111,867 3.892,868 4.527,869 1.593,870 7.31,871 3.827,872 7.398,873 1,874 8.934,875 2.697,876 5.999,877 7.033,878 3.045,879 10.366,880 5.911,881 8.702,882 1,883 10.609,884 2.275,885 6.293,886 7.436,887 3.114,888 11.99,889 6.174,890 10.037,891 0.931,892 12.323,893 2.219,894 7.802,895 9.366,896 4.214,897 14.521,898 7.664,899 11.393,900 0.724,901 14.064,902 2.136,903 8.491,904 10.167,905 4.563,906 16.493,907 8.316,908 12.764,909 0.518,910 15.825,911 1.748,912 9.751,913 11.837,914 5.473,915 18.845,916 9.557,917 2.973,918 0.395,919 17.6,920 1.238,921 10.634,922 12.857,923 5.966,924 20.97,925 10.4,926 2.932,927 9.645,928 19.387,929 0.926,930 11.785,931 14.391,932 6.771,933 23.257,934 11.53,935 2.572,936 9.242,937 21.184,938 3.978,939 12.764,940 15.542,941 7.343,942 25.45,943 12.469,944 2.473,945 7.199,946 22.987,947 3.48,948 13.868,949 17.001,950 8.089,951 27.713,952 13.549,953 2.213,954 6.949,955 24.797,956 3.424,957 14.895,958 18.234,959 8.704,960 29.937,961 14.539,962 1.968,963 6.522,964 26.612,965 3.195,966 15.981,967 19.651,968 9.418,969 32.193,970 15.597,971 1.529,972 5.273,973 28.432,974 2.819,975 17.032,976 20.936,977 10.058,978 34.431,979 16.613,980 12569,981 20223,982 21.959,983 35,984 47.84,985 48.231,986 48.172,987 47.434,988 47.417,989 60.675,990 5.931,991 130.029,992 46.333,993 5.27,994 5.767,995 6.195,996 4.987,997 4.973,998 6.978,999 3.426,1000 16.16,1001 4.889,1002 10.303,1003 1.495,1004 1.507,1005 1.505,1006 1.482,1007 1.482,1008 1.896,1009 0.185,1010 4.063,1011 1.448,1012 4.015,1013 4.047,1014 3.967,1015 3.915,1016 7.428,1017 3.918,1018 3.906,1019 3.94,1020 3.831,1021 3.849,1022 6.449,1023 3.841,1024 3.866,1025 3.913,1026 3.781,1027 3.688,1028 5.288,1029 3.7,1030 3.72,1031 3.755,1032 3.665,1033 3.506,1034 4.749,1035 3.541,1036 3.41,1037 3.472,1038 3.301,1039 3.212,1040 4.694,1041 3.219,1042 3.256,1043 3.318,1044 3.12,1045 3.053,1046 4.288,1047 3.072,1048 2.998,1049 3.052,1050 2.868,1051 2.825,1052 4.016,1053 2.828,1054 2.888,1055 2.958,1056 2.702,1057 2.735,1058 3.915,1059 2.715,1060 0.135,1061 0.118,1062 0.2,1063 0.123,1064 0.093,1065 4.31,1066 0.124,1067 3.767,1068 0.061,1069 6.393,1070 0.301,1071 3.947,1072 0.09,1073 2.973,1074 3.978,1075 1.957,1076 9.645,1077 2.889,1078 1.93,1079 1.903,1080 2.058,1081 2.018,1082 1.241,1083 2.029,1084 1.919,1085 1.89,1086 2.033,1087 2.005,1088 1.184,1089 2.019,1090 1.616,1091 1.579,1092 1.815,1093 1.832,1094 1.153,1095 1.813,1096 1.519,1097 1.47,1098 1.733,1099 1.735,1100 0.933,1101 1.75,1102 1.492,1103 1.42,1104 1.712,1105 1.712,1106 0.907,1107 1.712,1108 1.29,1109 1.233,1110 1.499,1111 1.534,1112 0.698,1113 1.521,1114 0.997,1115 0.934,1116 1.186,1117 1.32,1118 0.313,1119 1.248,1120 0.939,1121 0.897,1122 1.181,1123 1.231,1124 0.218,1125 1.211,1126 4.174,1128 5.468,1129 3.045,1130 6.938,1131 5.283,1132 8.482,1133 7.261,1134 10.065,1139 9.778,1140 3.212,1141 5.863,1143 -1.144,1148 33.498,1149 82.678,1150 197.502,1151 246.296,1152 270.825,1153 277.58,1154 277.58,1155 53.206,1156 7.565,1157 100.28,1158 100.28,1159 22,1160 12.35,1161 4.248,1162 3.392,1163 45.16,1164 146,1165 133,1166 0.147,1167 205.048,1168 353.63,1169 492.076,1170 23006,1172 20.054,1173 0.692,1174 0.553,1175 20.054,1176 16.045,1177 14.187,1178 0.443,1179 0.307,1180 9.711,1181 13.671,1182 9.56,1183 7.881,1184 14.187,1185 9.839,1186 12.428,1187 0.289,1188 0.167,1189 12.428,1190 7.2,1191 10.537,1192 0.192,1193 0.093,1194 10.537,1195 5.089,1196 8.432,1197 0.126,1198 0.051,1199 8.432,1200 3.397,1201 6.013,1202 0.082,1203 0.028,1204 6.013,1205 2.025,1206 0.242,1207 88.954,1208 0.213,1209 28.587,1210 0.375,1211 150,1212 437.577,1213 165.243,1214 420.566,1215 572.33,1216 394,1217 173,1218 421.848,1219 189.022,1220 421.32,1221 611.03,1222 398,1223 6.143} {0 CHEMBL1209546,1 1.49,2 14.621,3 3.016,4 9.097,5 110.192,6 6.567,7 0.355,8 4.18,9 4.315,10 3.623,11 3.656,12 5.191,13 3.617,14 4.758,15 4.958,16 3.952,17 4.053,18 5.7,19 3.975,20 5.057,21 5.317,22 3.949,23 4.149,24 5.979,25 4.033,26 5.049,27 5.31,28 3.922,29 4.086,30 6.093,31 3.981,32 4.964,33 5.225,34 3.764,35 4.01,36 5.913,37 3.898,38 4.837,39 5.088,40 3.735,41 3.968,42 5.736,43 3.854,44 4.833,45 5.083,46 3.704,47 3.951,48 5.771,49 3.829,50 4.822,51 5.096,52 3.611,53 3.87,54 5.72,55 3.741,56 0.105,57 0.874,58 14.647,59 5.72,60 13.446,61 8.181,62 0.255,63 1.386,64 26.711,65 9.479,66 29.395,67 14.096,68 0.495,69 1.597,70 37.036,71 11.585,72 59.403,73 17.771,74 0.584,75 1.539,76 37.203,77 10.547,78 87.18,79 16.66,80 0.504,81 1.398,82 34.25,83 9.765,84 68.691,85 15.128,86 0.305,87 1.292,88 29.471,89 9.645,90 43.393,91 14.496,92 0.352,93 1.304,94 29.457,95 9.46,96 48.145,97 14.293,98 0.392,99 1.226,100 29.374,101 8.654,102 46.514,103 13.647,104 23,105 41,106 0.244,107 0.558,108 0.751,109 0.854,110 0.879,111 0.879,112 3.407,113 1.038,114 -5.3,115 -5.19,116 -4.85,117 36.1,118 2,119 7,123 1,124 3,130 4,131 2,136 1,142 1,144 1,149 1,151 12,152 2,153 4,154 1,156 4,158 12,161 8,163 1,164 2,165 2,167 9,170 12,172 1,173 1,174 3,176 6,179 9,183 3,185 6,188 6,191 4,193 8,196 6,197 2,199 4,200 8,203 4,204 1,205 3,206 8,208 2,209 1,213 2,214 8,216 1472,217 19.698,218 19.698,219 19.698,220 19.698,221 19.698,222 18.338,223 17.547,224 12.012,225 19.919,226 15.259,227 15.259,228 15.259,229 15.259,230 15.259,231 13.109,232 20.745,233 5.671,234 15.624,235 4.44,236 2.518,237 1.333,238 0.705,239 0.549,240 0.549,241 4.087,244 1,245 1,246 888,247 4,250 197.142,251 107.258,256 2.668,257 29.654,259 1,260 0.83,261 0.83,262 1,263 1,264 1,265 1,266 0.95,267 63,268 424,269 4.32,270 3.78,271 6.409,272 3.983,273 3.008,274 3.984,275 1.957,276 9.72,277 2.93,278 4.117,279 3.081,280 6.2,281 3.904,282 2.935,283 3.526,284 0.589,285 9.266,286 2.847,287 3.967,288 2.932,289 5.994,290 3.688,291 2.714,292 3.203,293 0.42,294 8.481,295 2.639,296 3.614,297 2.731,298 5.306,299 3.314,300 2.331,301 2.905,303 6.81,304 2.288,305 3.211,306 2.491,307 4.918,308 2.964,309 1.976,310 2.263,312 5.41,313 1.936,314 2.902,315 1.821,316 4.358,317 2.802,318 1.804,319 1.98,321 4.137,322 1.799,323 2.757,324 1.681,325 4.041,326 2.508,327 1.532,328 1.773,330 3.521,331 1.491,332 2.5,333 1.616,334 3.775,335 2.259,336 1.269,337 1.5,339 3.165,340 1.255,341 2.433,342 1.343,343 3.562,344 2.058,345 1.139,346 1.413,347 2.505,348 1.046,349 2.25,350 1.211,351 3.414,352 2.037,353 1.068,354 1.229,355 2.281,356 1.027,357 2.162,358 1.138,359 3.355,360 2,361 1,362 1.137,363 2.275,364 1,365 2.141,366 1,367 3.292,368 1.716,369 0.729,370 1.011,371 1.778,372 0.714,373 1.867,374 0.713,375 3.217,376 1.645,377 0.666,378 0.765,379 1.646,380 0.649,381 1.562,382 0.5,383 2.659,384 1.477,385 0.493,386 0.522,387 0.871,388 0.485,389 0.975,390 0.307,391 2.527,392 0.759,393 -0.231,394 -0.244,395 -0.409,396 -0.228,397 13.6,398 0.469,399 0.592,400 0.02,401 29.75,402 1.026,403 11.5,404 0.397,405 18.25,406 0.629,407 29.472,408 1.016,409 33.8,410 0.554,411 21.27,412 0.733,413 5.229,414 0.18,415 8.851,416 0.305,417 0.123,419 0.294,420 0.78,421 1.391,422 0.929,423 1.23,424 0.736,425 1.119,426 0.674,427 1.328,428 0.942,429 1.245,430 0.632,431 1.149,432 0.934,433 1.02,434 0.931,435 0.988,436 0.98,437 0.964,438 1.135,439 1.034,440 0.983,441 0.952,442 1.16,443 0.939,444 1.468,445 0.892,446 1.107,447 0.864,448 1.521,449 0.917,450 1.057,451 1.037,452 0.972,453 1.012,454 0.924,455 0.985,456 1.035,457 1.078,458 1.065,459 1.093,460 1.02,461 1.086,462 1.035,463 0.951,464 1,465 0.937,466 0.78,467 0.95,468 5,469 0.136,470 3.333,471 1.597,472 1.087,473 0.882,474 0.508,475 0.284,476 0.267,477 0.192,478 12219,479 26998,480 2.033,481 52.5,482 13,483 9,486 3,487 2,488 3,489 2,490 1.712,491 1.912,492 3.79,493 0.891,495 1,497 90.913,498 1.49,499 3.413,500 4.598,501 5.225,502 5.381,503 5.381,504 3.263,505 4.651,506 4.82,507 4,508 1624.04,509 8.362,510 23857.5,511 1,513 361.775,514 1.358,515 4.792,516 0.161,517 0.006,518 0.081,519 0.041,520 0.029,521 0.028,522 0.016,523 0.009,524 0.01,525 0.009,526 0.391,527 0.17,528 1,529 1.567,530 152.432,531 0.038,532 -0.051,533 0.04,534 0.006,535 -0.029,536 0.019,537 0.125,538 -0.146,539 0.022,540 -0.127,541 0.063,542 -0.08,543 0.042,544 -0.018,545 0.054,546 0.002,547 0.018,548 0.024,549 0.018,550 -0.046,551 0.03,552 -0.004,553 0.089,554 0.016,555 -0.217,556 0.089,557 -0.083,558 0.08,559 -0.17,560 0.031,561 -0.083,562 -0.029,563 0.008,564 0.009,565 -0.019,566 0.022,567 -0.059,568 -0.045,569 -0.081,570 -0.084,571 -0.071,572 -0.089,573 -0.051,574 0.036,575 -0.011,576 0.014,577 -0.033,578 0.013,579 1.955,580 5.309,581 0.552,582 38.768,583 0.996,584 1.138,585 4.069,586 16.558,587 0.624,588 3.466,589 3.738,590 3.97,591 4.159,592 4.205,593 4.304,594 4.382,595 4.431,596 4.554,597 4.595,598 8.359,599 0.584,600 400.58,601 3.466,602 4.977,603 5.802,604 6.65,605 7.493,606 8.349,607 9.199,608 10.06,609 10.915,610 11.778,611 6.6,613 1,617 1,620 2,623 4,624 2,626 1,628 4,630 11,638 61,639 12,640 1,641 31,642 63,643 22,644 8,645 2,646 4,648 3,649 3,652 2,655 3,657 10,659 9,660 13,662 1,664 1,667 1,669 1,670 32,671 7,672 3,673 7,677 4,681 1,682 3,684 1,689 1,692 2,693 1,700 1,705 1,708 1,710 3,712 2,715 29,717 1,718 8,719 2,721 3,731 4.9,732 1,734 1,736 1,737 15.167,738 11.017,739 6.611,740 4.208,741 2.069,742 1.285,743 0.908,744 8.077,745 9.329,746 3.651,747 4.123,748 4.606,749 5.09,750 5.43,751 5.727,752 6.08,753 6.371,754 6.733,755 6.856,756 0.9,757 39,758 10.813,759 4.542,760 7.701,761 20.986,762 17.224,763 2.201,764 63.833,767 1,768 341.362,769 93.827,770 72.404,772 77.562,774 93.827,775 418.924,776 72.404,777 17.65,778 37.858,779 98.599,780 71.252,781 18.433,783 341.362,785 341.362,786 166.23,787 77.562,790 284.834,791 93.735,792 42.683,793 78.539,794 48.981,795 36.382,797 341.362,798 149.966,799 93.827,801 341.362,802 38.271,803 55.555,804 36.022,805 113.945,806 341.362,807 149.966,808 93.827,810 0.566,811 0.327,812 0.167,813 0.076,814 17,815 8,816 0.159,817 10,819 1,820 4.238,821 231.427,823 16,824 136.881,826 21.792,827 10.749,828 6.035,830 149.966,831 7.798,832 8.591,834 5.374,836 3.147,838 78.705,839 585.155,840 37.5,842 12.309,845 -0.173,846 60.76,847 69.434,848 0.251,849 0.575,850 0.775,851 0.881,852 0.907,853 0.907,854 4.873,855 1.269,856 5.759,857 3.521,858 4.419,859 4.808,860 2.135,861 6.518,862 4.37,863 6.016,864 1.139,865 7.288,866 3.165,867 3.892,868 4.443,869 1.593,870 7.334,871 3.814,872 7.283,873 1.068,874 8.921,875 2.505,876 5.958,877 6.828,878 3.045,879 10.408,880 5.858,881 8.586,882 1,883 10.617,884 2.281,885 6.312,886 7.344,887 3.114,888 12.073,889 6.175,890 9.927,891 0.729,892 12.352,893 2.275,894 7.79,895 9.168,896 4.214,897 14.625,898 7.634,899 11.29,900 0.666,901 14.114,902 1.778,903 8.536,904 10.08,905 4.563,906 16.617,907 8.342,908 12.671,909 0.493,910 15.895,911 1.646,912 9.78,913 11.67,914 5.473,915 18.986,916 9.565,917 3.008,918 -0.231,919 17.689,920 0.871,921 10.706,922 12.782,923 5.966,924 21.116,925 10.455,926 2.935,927 9.72,928 19.492,929 -0.409,930 11.852,931 14.261,932 6.771,933 23.413,934 11.578,935 2.714,936 9.266,937 21.302,938 3.984,939 12.861,940 15.482,941 7.343,942 25.606,943 12.554,944 2.331,945 8.481,946 23.118,947 3.526,948 13.967,949 16.907,950 8.089,951 27.875,952 13.635,953 1.976,954 6.81,955 24.938,956 3.203,957 15.014,958 18.19,959 8.704,960 30.097,961 14.651,962 1.804,963 5.41,964 26.761,965 2.905,966 16.105,967 19.588,968 9.418,969 32.356,970 15.716,971 1.532,972 4.137,973 28.587,974 2.263,975 17.171,976 20.908,977 10.058,978 34.593,979 16.752,980 11992,981 18067,982 20.572,983 38.046,984 45.739,985 46.014,986 46.939,987 45.343,988 45.328,989 54.425,990 5.931,991 123.734,992 44.214,993 5.285,994 5.78,995 6.362,996 5.024,997 5.008,998 6.984,999 3.426,1000 16.439,1001 4.93,1002 14.647,1003 1.475,1004 1.484,1005 1.514,1006 1.463,1007 1.462,1008 1.756,1009 0.191,1010 3.991,1011 1.426,1012 4.014,1013 4.047,1014 3.967,1015 3.915,1016 7.428,1017 3.918,1018 3.87,1019 3.919,1020 3.79,1021 3.689,1022 6.449,1023 3.702,1024 3.802,1025 3.853,1026 3.707,1027 3.667,1028 5.287,1029 3.66,1030 3.693,1031 3.75,1032 3.551,1033 3.501,1034 4.699,1035 3.516,1036 3.492,1037 3.564,1038 3.354,1039 3.331,1040 4.295,1041 3.322,1042 3.395,1043 3.464,1044 3.226,1045 3.178,1046 4.203,1047 3.187,1048 3.164,1049 3.22,1050 3.017,1051 2.954,1052 4.121,1053 2.962,1054 3.065,1055 3.163,1056 2.825,1057 2.864,1058 3.968,1059 2.845,1060 0.139,1061 0.122,1062 0.207,1063 0.128,1064 0.097,1065 4.32,1066 0.129,1067 3.78,1068 0.063,1069 6.409,1070 0.314,1071 3.983,1072 0.095,1073 3.008,1074 3.984,1075 1.957,1076 9.72,1077 2.93,1078 1.939,1079 1.912,1080 2.049,1081 2.03,1082 1.384,1083 2.037,1084 1.787,1085 1.727,1086 2.038,1087 1.949,1088 1.217,1089 1.982,1090 1.627,1091 1.588,1092 1.855,1093 1.837,1094 1.158,1095 1.822,1096 1.578,1097 1.515,1098 1.817,1099 1.775,1100 1.134,1101 1.8,1102 1.511,1103 1.443,1104 1.753,1105 1.737,1106 0.938,1107 1.754,1108 1.404,1109 1.335,1110 1.65,1111 1.629,1112 0.846,1113 1.642,1114 1.265,1115 1.193,1116 1.575,1117 1.518,1118 0.793,1119 1.531,1120 1.052,1121 0.992,1122 1.268,1123 1.337,1124 0.447,1125 1.281,1126 4.143,1128 5.425,1129 3.045,1130 6.882,1131 5.283,1132 8.422,1133 7.261,1134 10.009,1135 4.14,1139 9.853,1140 8.114,1141 5.99,1143 -1.31,1148 35.605,1149 90.913,1150 208.169,1151 280.491,1152 318.755,1153 328.265,1154 328.265,1155 67.918,1156 7.261,1157 100.28,1158 100.28,1159 16,1160 12.328,1161 3.7,1162 2.907,1163 52.96,1164 146,1165 172,1166 0.177,1167 221.223,1168 384.81,1169 531.545,1170 14825,1172 20.64,1173 0.712,1174 0.598,1175 20.64,1176 17.356,1177 14.08,1178 0.454,1179 0.346,1180 10.604,1181 13.565,1182 10.366,1183 8.661,1184 14.08,1185 10.729,1186 12.079,1187 0.295,1188 0.191,1189 12.079,1190 7.816,1191 9.988,1192 0.192,1193 0.105,1194 9.988,1195 5.462,1196 7.999,1197 0.127,1198 0.057,1199 7.999,1200 3.618,1201 5.249,1202 0.08,1203 0.031,1204 5.249,1205 2.062,1206 0.29,1207 88.266,1208 0.22,1209 28.544,1210 0.452,1211 144,1212 399.577,1213 159.576,1214 380.67,1215 517,1216 356,1217 165,1218 383.129,1219 181.188,1220 379.678,1221 552.97,1222 359,1223 5.42} {0 CHEMBL1209614,1 1.49,2 14.621,3 3.016,4 9.097,5 110.192,6 6.567,7 0.355,8 4.18,9 4.315,10 3.623,11 3.656,12 5.191,13 3.617,14 4.758,15 4.958,16 3.952,17 4.053,18 5.7,19 3.975,20 5.057,21 5.317,22 3.949,23 4.149,24 5.979,25 4.033,26 5.049,27 5.31,28 3.922,29 4.086,30 6.093,31 3.981,32 4.964,33 5.225,34 3.764,35 4.01,36 5.913,37 3.898,38 4.837,39 5.088,40 3.735,41 3.968,42 5.736,43 3.854,44 4.833,45 5.083,46 3.704,47 3.951,48 5.771,49 3.829,50 4.822,51 5.096,52 3.611,53 3.87,54 5.72,55 3.741,56 0.105,57 0.874,58 14.647,59 5.72,60 13.446,61 8.181,62 0.255,63 1.386,64 26.711,65 9.479,66 29.395,67 14.096,68 0.495,69 1.597,70 37.036,71 11.585,72 59.403,73 17.771,74 0.584,75 1.539,76 37.203,77 10.547,78 87.18,79 16.66,80 0.504,81 1.398,82 34.25,83 9.765,84 68.691,85 15.128,86 0.305,87 1.292,88 29.471,89 9.645,90 43.393,91 14.496,92 0.352,93 1.304,94 29.457,95 9.46,96 48.145,97 14.293,98 0.392,99 1.226,100 29.374,101 8.654,102 46.514,103 13.647,104 23,105 41,106 0.244,107 0.558,108 0.751,109 0.854,110 0.879,111 0.879,112 3.407,113 1.038,114 -5.3,115 -5.19,116 -4.85,117 36.1,118 2,119 7,123 1,124 3,130 4,131 2,136 1,142 1,144 1,149 1,151 12,152 2,153 4,154 1,156 4,158 12,161 8,163 1,164 2,165 2,167 9,170 12,172 1,173 1,174 3,176 6,179 9,183 3,185 6,188 6,191 4,193 8,196 6,197 2,199 4,200 8,203 4,204 1,205 3,206 8,208 2,209 1,213 2,214 8,216 1472,217 19.698,218 19.698,219 19.698,220 19.698,221 19.698,222 18.338,223 17.547,224 12.012,225 19.919,226 15.259,227 15.259,228 15.259,229 15.259,230 15.259,231 13.109,232 20.745,233 5.671,234 15.624,235 4.44,236 2.518,237 1.333,238 0.705,239 0.549,240 0.549,241 4.087,244 1,245 1,246 888,247 4,250 197.142,251 107.258,256 2.668,257 29.654,259 1,260 0.83,261 0.83,262 1,263 1,264 1,265 1,266 0.95,267 63,268 424,269 4.32,270 3.78,271 6.409,272 3.983,273 3.008,274 3.984,275 1.957,276 9.72,277 2.93,278 4.117,279 3.081,280 6.2,281 3.904,282 2.935,283 3.526,284 0.589,285 9.266,286 2.847,287 3.967,288 2.932,289 5.994,290 3.688,291 2.714,292 3.203,293 0.42,294 8.481,295 2.639,296 3.614,297 2.731,298 5.306,299 3.314,300 2.331,301 2.905,303 6.81,304 2.288,305 3.211,306 2.491,307 4.918,308 2.964,309 1.976,310 2.263,312 5.41,313 1.936,314 2.902,315 1.821,316 4.358,317 2.802,318 1.804,319 1.98,321 4.137,322 1.799,323 2.757,324 1.681,325 4.041,326 2.508,327 1.532,328 1.773,330 3.521,331 1.491,332 2.5,333 1.616,334 3.775,335 2.259,336 1.269,337 1.5,339 3.165,340 1.255,341 2.433,342 1.343,343 3.562,344 2.058,345 1.139,346 1.413,347 2.505,348 1.046,349 2.25,350 1.211,351 3.414,352 2.037,353 1.068,354 1.229,355 2.281,356 1.027,357 2.162,358 1.138,359 3.355,360 2,361 1,362 1.137,363 2.275,364 1,365 2.141,366 1,367 3.292,368 1.716,369 0.729,370 1.011,371 1.778,372 0.714,373 1.867,374 0.713,375 3.217,376 1.645,377 0.666,378 0.765,379 1.646,380 0.649,381 1.562,382 0.5,383 2.659,384 1.477,385 0.493,386 0.522,387 0.871,388 0.485,389 0.975,390 0.307,391 2.527,392 0.759,393 -0.231,394 -0.244,395 -0.409,396 -0.228,397 13.6,398 0.469,399 0.592,400 0.02,401 29.75,402 1.026,403 11.5,404 0.397,405 18.25,406 0.629,407 29.472,408 1.016,409 33.8,410 0.554,411 21.27,412 0.733,413 5.229,414 0.18,415 8.851,416 0.305,417 0.123,419 0.294,420 0.78,421 1.391,422 0.929,423 1.23,424 0.736,425 1.119,426 0.674,427 1.328,428 0.942,429 1.245,430 0.632,431 1.149,432 0.934,433 1.02,434 0.931,435 0.988,436 0.98,437 0.964,438 1.135,439 1.034,440 0.983,441 0.952,442 1.16,443 0.939,444 1.468,445 0.892,446 1.107,447 0.864,448 1.521,449 0.917,450 1.057,451 1.037,452 0.972,453 1.012,454 0.924,455 0.985,456 1.035,457 1.078,458 1.065,459 1.093,460 1.02,461 1.086,462 1.035,463 0.951,464 1,465 0.937,466 0.78,467 0.95,468 5,469 0.136,470 3.333,471 1.597,472 1.087,473 0.882,474 0.508,475 0.284,476 0.267,477 0.192,478 12219,479 26998,480 2.033,481 52.5,482 13,483 9,486 3,487 2,488 3,489 2,490 1.712,491 1.912,492 3.79,493 0.891,495 1,497 90.913,498 1.49,499 3.413,500 4.598,501 5.225,502 5.381,503 5.381,504 3.263,505 4.651,506 4.82,507 4,508 1624.04,509 8.362,510 23857.5,511 1,513 361.775,514 1.358,515 4.792,516 0.161,517 0.006,518 0.081,519 0.041,520 0.029,521 0.028,522 0.016,523 0.009,524 0.01,525 0.009,526 0.391,527 0.17,528 1,529 1.567,530 152.432,531 0.038,532 -0.051,533 0.04,534 0.006,535 -0.029,536 0.019,537 0.125,538 -0.146,539 0.022,540 -0.127,541 0.063,542 -0.08,543 0.042,544 -0.018,545 0.054,546 0.002,547 0.018,548 0.024,549 0.018,550 -0.046,551 0.03,552 -0.004,553 0.089,554 0.016,555 -0.217,556 0.089,557 -0.083,558 0.08,559 -0.17,560 0.031,561 -0.083,562 -0.029,563 0.008,564 0.009,565 -0.019,566 0.022,567 -0.059,568 -0.045,569 -0.081,570 -0.084,571 -0.071,572 -0.089,573 -0.051,574 0.036,575 -0.011,576 0.014,577 -0.033,578 0.013,579 1.955,580 5.309,581 0.552,582 38.768,583 0.996,584 1.138,585 4.069,586 16.558,587 0.624,588 3.466,589 3.738,590 3.97,591 4.159,592 4.205,593 4.304,594 4.382,595 4.431,596 4.554,597 4.595,598 8.359,599 0.584,600 400.58,601 3.466,602 4.977,603 5.802,604 6.65,605 7.493,606 8.349,607 9.199,608 10.06,609 10.915,610 11.778,611 6.6,613 1,617 1,620 2,623 4,624 2,626 1,628 4,630 11,638 61,639 12,640 1,641 31,642 63,643 22,644 8,645 2,646 4,648 3,649 3,652 2,655 3,657 10,659 9,660 13,662 1,664 1,667 1,669 1,670 32,671 7,672 3,673 7,677 4,681 1,682 3,684 1,689 1,692 2,693 1,700 1,705 1,708 1,710 3,712 2,715 29,717 1,718 8,719 2,721 3,731 4.9,732 1,734 1,736 1,737 15.167,738 11.017,739 6.611,740 4.208,741 2.069,742 1.285,743 0.908,744 8.077,745 9.329,746 3.651,747 4.123,748 4.606,749 5.09,750 5.43,751 5.727,752 6.08,753 6.371,754 6.733,755 6.856,756 0.9,757 39,758 10.813,759 4.542,760 7.701,761 20.986,762 17.224,763 2.201,764 63.833,767 1,768 341.362,769 93.827,770 72.404,772 77.562,774 93.827,775 418.924,776 72.404,777 17.65,778 37.858,779 98.599,780 71.252,781 18.433,783 341.362,785 341.362,786 166.23,787 77.562,790 284.834,791 93.735,792 42.683,793 78.539,794 48.981,795 36.382,797 341.362,798 149.966,799 93.827,801 341.362,802 38.271,803 55.555,804 36.022,805 113.945,806 341.362,807 149.966,808 93.827,810 0.566,811 0.327,812 0.167,813 0.076,814 17,815 8,816 0.159,817 10,819 1,820 4.238,821 231.427,823 16,824 136.881,826 21.792,827 10.749,828 6.035,830 149.966,831 7.798,832 8.591,834 5.374,836 3.147,838 78.705,839 585.155,840 37.5,842 12.309,845 -0.173,846 60.76,847 69.434,848 0.251,849 0.575,850 0.775,851 0.881,852 0.907,853 0.907,854 4.873,855 1.269,856 5.759,857 3.521,858 4.419,859 4.808,860 2.135,861 6.518,862 4.37,863 6.016,864 1.139,865 7.288,866 3.165,867 3.892,868 4.443,869 1.593,870 7.334,871 3.814,872 7.283,873 1.068,874 8.921,875 2.505,876 5.958,877 6.828,878 3.045,879 10.408,880 5.858,881 8.586,882 1,883 10.617,884 2.281,885 6.312,886 7.344,887 3.114,888 12.073,889 6.175,890 9.927,891 0.729,892 12.352,893 2.275,894 7.79,895 9.168,896 4.214,897 14.625,898 7.634,899 11.29,900 0.666,901 14.114,902 1.778,903 8.536,904 10.08,905 4.563,906 16.617,907 8.342,908 12.671,909 0.493,910 15.895,911 1.646,912 9.78,913 11.67,914 5.473,915 18.986,916 9.565,917 3.008,918 -0.231,919 17.689,920 0.871,921 10.706,922 12.782,923 5.966,924 21.116,925 10.455,926 2.935,927 9.72,928 19.492,929 -0.409,930 11.852,931 14.261,932 6.771,933 23.413,934 11.578,935 2.714,936 9.266,937 21.302,938 3.984,939 12.861,940 15.482,941 7.343,942 25.606,943 12.554,944 2.331,945 8.481,946 23.118,947 3.526,948 13.967,949 16.907,950 8.089,951 27.875,952 13.635,953 1.976,954 6.81,955 24.938,956 3.203,957 15.014,958 18.19,959 8.704,960 30.097,961 14.651,962 1.804,963 5.41,964 26.761,965 2.905,966 16.105,967 19.588,968 9.418,969 32.356,970 15.716,971 1.532,972 4.137,973 28.587,974 2.263,975 17.171,976 20.908,977 10.058,978 34.593,979 16.752,980 11992,981 18067,982 20.572,983 38.046,984 45.739,985 46.014,986 46.939,987 45.343,988 45.328,989 54.425,990 5.931,991 123.734,992 44.214,993 5.285,994 5.78,995 6.362,996 5.024,997 5.008,998 6.984,999 3.426,1000 16.439,1001 4.93,1002 14.647,1003 1.475,1004 1.484,1005 1.514,1006 1.463,1007 1.462,1008 1.756,1009 0.191,1010 3.991,1011 1.426,1012 4.014,1013 4.047,1014 3.967,1015 3.915,1016 7.428,1017 3.918,1018 3.87,1019 3.919,1020 3.79,1021 3.689,1022 6.449,1023 3.702,1024 3.802,1025 3.853,1026 3.707,1027 3.667,1028 5.287,1029 3.66,1030 3.693,1031 3.75,1032 3.551,1033 3.501,1034 4.699,1035 3.516,1036 3.492,1037 3.564,1038 3.354,1039 3.331,1040 4.295,1041 3.322,1042 3.395,1043 3.464,1044 3.226,1045 3.178,1046 4.203,1047 3.187,1048 3.164,1049 3.22,1050 3.017,1051 2.954,1052 4.121,1053 2.962,1054 3.065,1055 3.163,1056 2.825,1057 2.864,1058 3.968,1059 2.845,1060 0.139,1061 0.122,1062 0.207,1063 0.128,1064 0.097,1065 4.32,1066 0.129,1067 3.78,1068 0.063,1069 6.409,1070 0.314,1071 3.983,1072 0.095,1073 3.008,1074 3.984,1075 1.957,1076 9.72,1077 2.93,1078 1.939,1079 1.912,1080 2.049,1081 2.03,1082 1.384,1083 2.037,1084 1.787,1085 1.727,1086 2.038,1087 1.949,1088 1.217,1089 1.982,1090 1.627,1091 1.588,1092 1.855,1093 1.837,1094 1.158,1095 1.822,1096 1.578,1097 1.515,1098 1.817,1099 1.775,1100 1.134,1101 1.8,1102 1.511,1103 1.443,1104 1.753,1105 1.737,1106 0.938,1107 1.754,1108 1.404,1109 1.335,1110 1.65,1111 1.629,1112 0.846,1113 1.642,1114 1.265,1115 1.193,1116 1.575,1117 1.518,1118 0.793,1119 1.531,1120 1.052,1121 0.992,1122 1.268,1123 1.337,1124 0.447,1125 1.281,1126 4.143,1128 5.425,1129 3.045,1130 6.882,1131 5.283,1132 8.422,1133 7.261,1134 10.009,1135 4.14,1139 9.853,1140 8.114,1141 5.99,1143 -1.31,1148 35.605,1149 90.913,1150 208.169,1151 280.491,1152 318.755,1153 328.265,1154 328.265,1155 67.918,1156 7.261,1157 100.28,1158 100.28,1159 16,1160 12.328,1161 3.7,1162 2.907,1163 52.96,1164 146,1165 172,1166 0.177,1167 221.223,1168 384.81,1169 531.545,1170 14825,1172 20.64,1173 0.712,1174 0.598,1175 20.64,1176 17.356,1177 14.08,1178 0.454,1179 0.346,1180 10.604,1181 13.565,1182 10.366,1183 8.661,1184 14.08,1185 10.729,1186 12.079,1187 0.295,1188 0.191,1189 12.079,1190 7.816,1191 9.988,1192 0.192,1193 0.105,1194 9.988,1195 5.462,1196 7.999,1197 0.127,1198 0.057,1199 7.999,1200 3.618,1201 5.249,1202 0.08,1203 0.031,1204 5.249,1205 2.062,1206 0.29,1207 88.266,1208 0.22,1209 28.544,1210 0.452,1211 144,1212 399.577,1213 159.576,1214 380.67,1215 517,1216 356,1217 165,1218 383.129,1219 181.188,1220 379.678,1221 552.97,1222 359,1223 7.319} {0 CHEMBL1209615,1 1.472,2 14.667,3 3.54,4 12.531,5 114.716,6 6.478,7 0.344,8 4.224,9 4.36,10 3.654,11 3.701,12 5.22,13 3.657,14 4.805,15 5.008,16 3.977,17 4.098,18 5.727,19 4.014,20 5.109,21 5.373,22 3.994,23 4.199,24 6.009,25 4.079,26 5.105,27 5.367,28 3.987,29 4.157,30 6.126,31 4.053,32 5.041,33 5.297,34 3.872,35 4.121,36 5.992,37 4.008,38 4.97,39 5.218,40 3.832,41 4.095,42 5.873,43 3.973,44 4.962,45 5.22,46 3.82,47 4.076,48 5.868,49 3.95,50 4.957,51 5.224,52 3.705,53 4.002,54 5.862,55 3.863,56 0.112,57 0.913,58 15.503,59 6.069,60 13.376,61 8.695,62 0.268,63 1.449,64 28.179,65 10.056,66 28.958,67 14.958,68 0.502,69 1.679,70 38.898,71 12.274,72 59.325,73 18.854,74 0.616,75 1.647,76 39.289,77 11.165,78 85.444,79 17.679,80 0.487,81 1.542,82 36.72,83 10.988,84 67.611,85 16.837,86 0.361,87 1.466,88 33.698,89 11.126,90 52.586,91 16.628,92 0.384,93 1.48,94 33.471,95 10.765,96 49.324,97 16.376,98 0.433,99 1.401,100 33.546,101 10.096,102 53.996,103 15.758,104 26,105 42,106 0.238,107 0.541,108 0.734,109 0.842,110 0.881,111 0.881,112 3.439,113 1.056,114 -5.51,115 -5.39,116 -5.03,117 35.9,118 2,119 8,123 1,124 3,130 4,131 2,136 1,142 1,144 1,149 1,151 13,152 2,153 4,154 1,156 4,158 12,161 8,163 1,164 2,165 3,167 10,170 12,172 1,173 1,174 3,176 8,179 10,183 3,185 8,188 6,191 5,193 9,196 6,197 2,199 5,200 9,203 6,204 1,205 3,206 8,208 2,209 2,213 2,214 8,216 1570,217 20.568,218 20.568,219 20.568,220 20.568,221 20.568,222 19.208,223 17.547,224 12.535,225 20.781,226 15.696,227 15.696,228 15.696,229 15.696,230 15.696,231 13.553,232 20.745,233 5.826,234 16.06,235 4.528,236 2.657,237 1.462,238 0.797,239 0.555,240 0.555,241 4.121,244 1,245 1,246 919,247 4.123,250 205.48,251 111.687,256 2.622,257 30.528,259 0.75,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.82,267 65,268 440,269 4.322,270 3.782,271 6.417,272 3.994,273 3.017,274 3.985,275 1.957,276 9.77,277 2.942,278 4.126,279 3.109,280 6.211,281 3.905,282 2.935,283 3.534,284 0.589,285 9.29,286 2.848,287 3.976,288 2.94,289 6.083,290 3.719,291 2.746,292 3.204,293 0.42,294 8.84,295 2.667,296 3.627,297 2.732,298 5.309,299 3.323,300 2.34,301 2.916,303 6.821,304 2.298,305 3.214,306 2.497,307 4.922,308 2.965,309 1.977,310 2.271,312 5.428,313 1.937,314 2.924,315 1.831,316 4.439,317 2.804,318 1.806,319 2.002,321 4.291,322 1.801,323 2.775,324 1.72,325 4.126,326 2.574,327 1.592,328 1.785,330 3.59,331 1.559,332 2.538,333 1.616,334 3.776,335 2.311,336 1.318,337 1.539,339 3.294,340 1.308,341 2.5,342 1.372,343 3.633,344 2.086,345 1.139,346 1.5,347 2.549,348 1.081,349 2.26,350 1.211,351 3.414,352 2.049,353 1.105,354 1.241,355 2.285,356 1.032,357 2.165,358 1.148,359 3.374,360 2,361 1,362 1.141,363 2.275,364 1,365 2.144,366 1,367 3.298,368 1.767,369 0.784,370 1.016,371 1.897,372 0.765,373 1.884,374 0.713,375 3.218,376 1.671,377 0.7,378 0.819,379 1.672,380 0.678,381 1.563,382 0.634,383 2.666,384 1.478,385 0.494,386 0.523,387 0.873,388 0.486,389 1.367,390 0.5,391 2.607,392 1.223,393 0.226,394 0.245,395 0.341,396 0.224,397 14.1,398 0.47,399 0.554,400 0.018,401 30.25,402 1.008,403 11.5,404 0.383,405 18.75,406 0.625,407 31.631,408 1.054,409 35.1,410 0.548,411 21.835,412 0.728,413 5.216,414 0.174,415 9.402,416 0.313,417 0.118,419 0.284,420 0.78,421 1.395,422 0.945,423 1.242,424 0.733,425 1.134,426 0.672,427 1.335,428 0.958,429 1.257,430 0.636,431 1.164,432 0.914,433 1.027,434 0.904,435 0.977,436 0.961,437 0.946,438 1.166,439 1.002,440 0.99,441 0.918,442 1.169,443 0.918,444 1.4,445 0.941,446 1.098,447 0.925,448 1.443,449 0.957,450 1.147,451 1.07,452 1.026,453 1.045,454 1.203,455 1.028,456 0.988,457 1.036,458 1.027,459 1.052,460 0.927,461 1.044,462 1.124,463 1.073,464 1.083,465 1.047,466 0.954,467 1.055,468 5,469 0.136,470 3.333,471 1.597,472 1.167,473 0.91,474 0.589,475 0.325,476 0.267,477 0.217,478 13032,479 28183,480 2.032,481 53.1,482 16,483 9,486 3,487 2,488 2,489 2,490 1.723,491 1.915,492 3.791,493 0.867,495 1,497 94.229,498 1.472,499 3.343,500 4.538,501 5.203,502 5.445,503 5.445,504 3.273,505 4.19,506 4.868,507 3.998,508 1739.17,509 8.469,510 25957.4,511 1,513 384,514 1.338,515 4.843,516 0.156,517 0.006,518 0.079,519 0.039,520 0.029,521 0.025,522 0.017,523 0.01,524 0.009,525 0.009,526 0.38,527 0.17,528 0.75,529 1.629,530 158.815,531 0.043,532 -0.049,533 0.04,534 0.005,535 -0.023,536 0.018,537 0.127,538 -0.151,539 0.015,540 -0.133,541 0.058,542 -0.088,543 0.058,544 -0.026,545 0.082,546 0.014,547 0.032,548 0.044,549 0.005,550 0.006,551 0.03,552 0.03,553 0.075,554 0.037,555 -0.189,556 0.066,557 -0.079,558 0.046,559 -0.132,560 0.01,561 -0.106,562 -0.063,563 -0.037,564 -0.019,565 -0.084,566 -0.019,567 -0.043,568 -0.002,569 -0.043,570 -0.049,571 -0.034,572 -0.047,573 -0.075,574 -0.081,575 -0.088,576 -0.08,577 -0.07,578 -0.085,579 1.955,580 5.468,581 0.533,582 39.844,583 0.994,584 1.138,585 4.284,586 18.353,587 0.622,588 3.497,589 3.761,590 4.007,591 4.205,592 4.263,593 4.357,594 4.466,595 4.522,596 4.615,597 4.663,598 8.352,599 0.58,600 414.61,601 3.497,602 5.004,603 5.832,604 6.681,605 7.527,606 8.384,607 9.238,608 10.1,609 10.959,610 11.824,611 6.3,613 1,617 1,620 2,623 4,624 2,626 1,628 4,630 11,638 64,639 12,640 1,641 32,642 66,643 23,644 8,645 2,646 4,648 3,649 3,652 2,655 3,657 11,659 9,660 14,662 1,664 1,667 1,670 34,671 7,672 3,673 7,677 4,681 1,682 3,684 1,689 1,692 2,693 1,700 1,705 1,708 1,710 3,712 2,715 30,717 1,718 9,719 2,721 3,731 4.7,732 1,734 1,736 1,737 15.667,738 11.517,739 6.944,740 4.542,741 2.061,742 1.282,743 0.908,744 8.708,745 9.372,746 3.676,747 4.139,748 4.626,749 5.115,750 5.463,751 5.755,752 6.124,753 6.433,754 6.771,755 6.919,756 0.9,757 41,758 11.198,759 4.691,760 7.678,761 21.803,762 17.896,763 2.178,764 65.333,768 364.904,769 96.361,770 72.404,772 77.562,774 96.361,775 442.467,776 72.404,777 17.65,778 40.393,779 98.599,780 71.252,781 18.433,783 364.904,785 364.904,786 168.765,787 77.562,790 320.148,791 81.963,792 42.683,793 81.074,794 48.981,795 36.382,797 364.904,798 149.966,799 96.361,801 364.904,802 40.806,803 55.555,804 36.022,805 113.945,806 364.904,807 149.966,808 96.361,810 0.56,811 0.33,812 0.173,813 0.08,814 17,815 8,816 0.167,817 11,819 1,820 4.289,821 244.061,823 16,824 143.207,826 22.769,827 11.474,828 6.295,830 149.966,831 7.9,832 8.632,834 5.395,836 3.197,838 78.705,839 611.231,840 38.5,842 12.468,845 -0.155,846 63.643,847 72.849,848 0.245,849 0.557,850 0.756,851 0.867,852 0.908,853 0.908,854 4.896,855 1.318,856 5.784,857 3.59,858 4.443,859 4.824,860 2.135,861 6.547,862 4.395,863 6.033,864 1.139,865 7.314,866 3.294,867 3.892,868 4.443,869 1.593,870 7.38,871 3.814,872 7.298,873 1.105,874 8.948,875 2.549,876 5.984,877 6.839,878 3.045,879 10.455,880 5.885,881 8.601,882 1,883 10.646,884 2.285,885 6.33,886 7.35,887 3.114,888 12.14,889 6.194,890 9.942,891 0.784,892 12.384,893 2.275,894 7.818,895 9.176,896 4.214,897 14.692,898 7.663,899 11.305,900 0.7,901 14.149,902 1.897,903 8.564,904 10.087,905 4.563,906 16.7,907 8.371,908 12.687,909 0.494,910 15.933,911 1.672,912 9.812,913 11.677,914 5.473,915 19.07,916 9.599,917 3.017,918 0.226,919 17.731,920 0.873,921 10.74,922 12.789,923 5.966,924 21.212,925 10.491,926 2.935,927 9.77,928 19.537,929 0.341,930 11.889,931 14.268,932 6.771,933 23.512,934 11.618,935 2.746,936 9.29,937 21.351,938 3.985,939 12.9,940 15.489,941 7.343,942 25.712,943 12.596,944 2.34,945 8.84,946 23.169,947 3.534,948 14.008,949 16.914,950 8.089,951 27.984,952 13.681,953 1.977,954 6.821,955 24.992,956 3.204,957 15.058,958 18.197,959 8.704,960 30.212,961 14.7,962 1.806,963 5.428,964 26.818,965 2.916,966 16.151,967 19.595,968 9.418,969 32.473,970 15.768,971 1.592,972 4.291,973 28.647,974 2.271,975 17.219,976 20.915,977 10.058,978 34.715,979 16.807,980 12830,981 19107,982 21.266,983 39.807,984 46.676,985 47.144,986 48.269,987 46.392,988 46.36,989 55.445,990 5.931,991 126.43,992 45.25,993 5.292,994 5.782,995 6.37,996 5.036,997 5.017,998 6.985,999 3.426,1000 16.489,1001 4.942,1002 15.046,1003 1.459,1004 1.473,1005 1.508,1006 1.45,1007 1.449,1008 1.733,1009 0.185,1010 3.951,1011 1.414,1012 4.018,1013 4.051,1014 3.969,1015 3.92,1016 7.428,1017 3.922,1018 3.871,1019 3.919,1020 3.792,1021 3.69,1022 6.449,1023 3.703,1024 3.804,1025 3.855,1026 3.71,1027 3.668,1028 5.287,1029 3.661,1030 3.7,1031 3.759,1032 3.554,1033 3.515,1034 4.696,1035 3.526,1036 3.541,1037 3.608,1038 3.396,1039 3.393,1040 4.296,1041 3.38,1042 3.41,1043 3.484,1044 3.228,1045 3.21,1046 4.204,1047 3.212,1048 3.272,1049 3.332,1050 3.128,1051 3.028,1052 4.146,1053 3.045,1054 3.081,1055 3.175,1056 2.861,1057 2.907,1058 3.968,1059 2.886,1060 0.135,1061 0.118,1062 0.201,1063 0.125,1064 0.094,1065 4.322,1066 0.125,1067 3.782,1068 0.061,1069 6.417,1070 0.305,1071 3.994,1072 0.092,1073 3.017,1074 3.985,1075 1.957,1076 9.77,1077 2.942,1078 1.944,1079 1.917,1080 2.058,1081 2.036,1082 1.384,1083 2.044,1084 1.788,1085 1.727,1086 2.039,1087 1.949,1088 1.274,1089 1.982,1090 1.643,1091 1.599,1092 1.858,1093 1.842,1094 1.16,1095 1.833,1096 1.579,1097 1.516,1098 1.839,1099 1.775,1100 1.135,1101 1.8,1102 1.548,1103 1.487,1104 1.808,1105 1.744,1106 0.993,1107 1.767,1108 1.461,1109 1.386,1110 1.689,1111 1.705,1112 0.922,1113 1.718,1114 1.272,1115 1.2,1116 1.576,1117 1.518,1118 0.795,1119 1.532,1120 1.148,1121 1.09,1122 1.369,1123 1.412,1124 0.518,1125 1.393,1126 4.174,1128 5.451,1129 3.045,1130 6.909,1131 5.283,1132 8.451,1133 7.261,1134 10.042,1135 4.243,1139 9.926,1140 8.884,1141 6.1,1143 -1.257,1148 37.132,1149 94.229,1150 213.967,1151 290.432,1152 332.98,1153 348.49,1154 348.49,1155 72.965,1156 7.311,1157 100.28,1158 100.28,1159 16,1160 12.372,1161 3.7,1162 2.907,1163 55.731,1164 152,1165 182,1166 0.18,1167 230.816,1168 402.11,1169 554.95,1170 15529,1172 21.347,1173 0.712,1174 0.602,1175 21.347,1176 18.064,1177 14.618,1178 0.457,1179 0.352,1180 11.142,1181 14.107,1182 10.903,1183 9.123,1184 14.618,1185 11.267,1186 12.27,1187 0.292,1188 0.192,1189 12.27,1190 8.055,1191 10.305,1192 0.191,1193 0.106,1194 10.305,1195 5.73,1196 8.293,1197 0.126,1198 0.058,1199 8.293,1200 3.857,1201 5.64,1202 0.081,1203 0.032,1204 5.64,1205 2.245,1206 0.294,1207 91.494,1208 0.217,1209 29.235,1210 0.465,1211 148,1212 403.577,1213 163.576,1214 384.638,1215 523.3,1216 360,1217 170,1218 388.129,1219 186.355,1220 384.479,1221 561.34,1222 364,1223 7.523} {0 CHEMBL1209616,1 1.455,2 14.71,3 3.859,4 14.893,5 119.188,6 6.398,7 0.333,8 4.265,9 4.402,10 3.684,11 3.743,12 5.254,13 3.696,14 4.851,15 5.056,16 4.017,17 4.148,18 5.759,19 4.061,20 5.16,21 5.419,22 4.044,23 4.267,24 6.057,25 4.143,26 5.203,27 5.477,28 4.049,29 4.243,30 6.187,31 4.13,32 5.113,33 5.364,34 3.969,35 4.221,36 6.071,37 4.106,38 5.087,39 5.334,40 3.921,41 4.207,42 6.003,43 4.079,44 5.076,45 5.34,46 3.923,47 4.187,48 5.966,49 4.058,50 5.076,51 5.337,52 3.792,53 4.119,54 5.99,55 3.971,56 0.118,57 0.951,58 16.35,59 6.416,60 14.343,61 9.207,62 0.282,63 1.516,64 29.627,65 10.652,66 30.129,67 15.826,68 0.496,69 1.79,70 40.78,71 13.16,72 60.225,73 20.13,74 0.67,75 1.799,76 43.195,77 12.308,78 90.882,79 19.595,80 0.474,81 1.685,82 39.241,83 12.216,84 69.061,85 18.555,86 0.415,87 1.64,88 37.916,89 12.601,90 64.796,91 18.757,92 0.416,93 1.655,94 37.45,95 12.068,96 53.839,97 18.448,98 0.476,99 1.576,100 37.73,101 11.53,102 62.593,103 17.866,104 35,105 44,106 0.233,107 0.539,108 0.742,109 0.839,110 0.862,111 0.862,112 3.471,113 1.058,114 -5.73,115 -5.59,116 -5.21,117 35.8,118 3,119 7,120 1,123 1,124 3,130 4,131 2,136 1,142 1,144 1,149 1,151 14,152 2,153 4,154 1,156 4,158 13,161 8,163 1,164 2,165 4,167 11,170 12,172 1,173 1,174 3,176 10,179 11,183 3,185 10,188 6,191 6,193 10,196 6,197 2,199 6,200 10,203 8,204 1,205 3,206 8,208 2,209 3,213 2,214 8,216 1753,217 20.905,218 20.905,219 20.905,220 20.905,221 20.905,222 19.545,223 17.547,224 12.696,225 21.114,226 16.243,227 16.243,228 16.243,229 16.243,230 16.243,231 14.104,232 20.745,233 5.975,234 16.6,235 4.611,236 2.704,237 1.437,238 0.832,239 0.691,240 0.691,241 4.15,244 1,245 1,246 950,247 4.359,250 213.818,251 116.115,256 2.576,257 31.405,259 0.75,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.82,267 67,268 456,269 4.329,270 3.785,271 6.485,272 4.037,273 3.058,274 3.986,275 1.957,276 10.034,277 2.992,278 4.156,279 3.186,280 6.326,281 3.908,282 2.937,283 3.552,284 0.589,285 9.449,286 2.852,287 3.998,288 2.953,289 6.172,290 3.798,291 2.827,292 3.207,293 0.42,294 9.172,295 2.739,296 3.668,297 2.735,298 5.316,299 3.352,300 2.367,301 2.951,303 6.842,304 2.328,305 3.239,306 2.513,307 4.965,308 2.976,309 1.988,310 2.338,312 5.54,313 1.956,314 3.096,315 1.992,316 4.825,317 2.9,318 1.903,319 2.137,321 5.02,322 1.887,323 2.84,324 1.794,325 4.243,326 2.787,327 1.788,328 1.876,330 3.842,331 1.785,332 2.69,333 1.617,334 3.806,335 2.397,336 1.414,337 1.727,339 3.427,340 1.389,341 2.5,342 1.485,343 3.774,344 2.146,345 1.167,346 1.5,347 2.733,348 1.141,349 2.273,350 1.221,351 3.433,352 2.051,353 1.139,354 1.256,355 2.332,356 1.034,357 2.171,358 1.202,359 3.414,360 2,361 1,362 1.146,363 2.275,364 1,365 2.148,366 1.07,367 3.311,368 1.896,369 0.931,370 1.039,371 2.248,372 0.896,373 1.974,374 1,375 3.234,376 1.686,377 0.711,378 0.946,379 1.693,380 0.691,381 1.779,382 0.713,383 3.21,384 1.515,385 0.521,386 0.604,387 1.297,388 0.513,389 1.561,390 0.5,391 2.659,392 1.473,393 0.484,394 0.518,395 0.868,396 0.478,397 14.6,398 0.471,399 0.682,400 0.022,401 30.75,402 0.992,403 11.5,404 0.371,405 19.25,406 0.621,407 34.543,408 1.114,409 36.4,410 0.543,411 22.59,412 0.729,413 5.211,414 0.168,415 9.78,416 0.315,417 0.148,419 0.308,420 0.78,421 1.4,422 0.96,423 1.252,424 0.748,425 1.148,426 0.667,427 1.311,428 0.946,429 1.232,430 0.629,431 1.143,432 0.902,433 1.099,434 0.939,435 1.045,436 0.958,437 1.006,438 1.139,439 0.924,440 0.947,441 0.845,442 1.112,443 0.854,444 1.341,445 0.983,446 1.09,447 0.977,448 1.376,449 0.991,450 1.229,451 1.098,452 1.07,453 1.071,454 1.438,455 1.061,456 0.955,457 1.004,458 0.998,459 1.021,460 0.857,461 1.01,462 1.206,463 1.171,464 1.15,465 1.133,466 1.099,467 1.136,468 5.5,469 0.153,470 3.556,471 1.847,472 1.407,473 0.993,474 0.722,475 0.428,476 0.285,477 0.262,478 13849,479 29372,480 2.012,481 53.7,482 19,483 9,486 3,487 2,488 1,489 2,490 1.733,491 1.879,492 3.778,493 0.844,497 97.517,498 1.455,499 3.362,500 4.629,501 5.234,502 5.376,503 5.376,504 3.268,505 4.761,506 4.915,507 3.994,508 1857.1,509 8.571,510 28102.7,513 406.428,514 1.418,515 4.881,516 0.167,517 0.007,518 0.081,519 0.043,520 0.033,521 0.025,522 0.019,523 0.011,524 0.009,525 0.01,526 0.404,527 0.17,528 0.75,529 1.639,530 165.178,531 0.047,532 -0.047,533 0.04,534 0.005,535 -0.03,536 0.017,537 0.132,538 -0.124,539 0.035,540 -0.103,541 0.066,542 -0.059,543 0.06,544 -0.079,545 0.048,546 -0.037,547 0.027,548 -0.005,549 0.01,550 0.071,551 0.07,552 0.09,553 0.079,554 0.094,555 -0.164,556 0.045,557 -0.074,558 0.018,559 -0.099,560 -0.007,561 -0.125,562 -0.09,563 -0.071,564 -0.04,565 -0.131,566 -0.05,567 -0.031,568 0.032,569 -0.013,570 -0.023,571 -0.004,572 -0.015,573 -0.094,574 -0.173,575 -0.147,576 -0.153,577 -0.097,578 -0.16,579 1.964,580 5.614,581 0.516,582 40.472,583 0.993,584 1.138,585 4.495,586 20.206,587 0.62,588 3.526,589 3.807,590 4.043,591 4.248,592 4.317,593 4.407,594 4.543,595 4.605,596 4.673,597 4.727,598 8.337,599 0.577,600 428.64,601 3.526,602 5.043,603 5.872,604 6.727,605 7.576,606 8.439,607 9.297,608 10.164,609 11.027,610 11.896,611 6,613 1,617 1,620 2,623 4,624 2,626 1,628 4,630 11,638 67,639 12,640 1,641 33,642 69,643 24,644 8,645 2,646 4,648 3,649 3,652 3,655 3,657 10,659 9,660 15,661 1,662 1,664 1,667 1,670 36,671 7,672 3,673 7,677 4,681 1,682 3,684 1,689 1,692 2,693 1,700 1,705 1,708 1,710 3,712 3,715 31,717 1,718 8,719 2,721 4,731 4.5,732 1,734 1,736 1,737 16.5,738 12.35,739 7.056,740 4.653,741 2.054,742 1.279,743 0.902,744 8.914,745 9.414,746 3.701,747 4.171,748 4.646,749 5.138,750 5.494,751 5.783,752 6.167,753 6.491,754 6.807,755 6.978,756 0.9,757 43,758 11.578,759 4.858,760 7.667,761 22.559,762 18.587,763 2.167,764 67.167,768 388.446,769 102.652,770 72.404,772 77.562,774 102.652,775 466.009,776 72.404,777 26.476,778 37.858,779 98.599,780 71.252,781 18.433,783 388.446,785 388.446,786 175.055,787 77.562,790 355.461,791 70.192,792 42.683,793 87.365,794 48.981,795 36.382,797 388.446,798 149.966,799 102.652,801 388.446,802 38.271,803 64.381,804 36.022,805 113.945,806 388.446,807 149.966,808 102.652,810 0.568,811 0.327,812 0.171,813 0.081,814 18,815 9,816 0.159,817 11,819 1,820 4.317,821 258.127,823 16,824 147.58,826 23.748,827 11.637,828 6.536,830 149.966,831 7.934,832 8.662,834 5.412,836 3.19,838 78.705,839 641.064,840 39.5,842 12.614,845 -0.158,846 66.527,847 76.265,848 0.24,849 0.554,850 0.763,851 0.863,852 0.886,853 0.886,854 4.933,855 1.414,856 5.838,857 3.842,858 4.489,859 4.856,860 2.135,861 6.613,862 4.443,863 6.078,864 1.167,865 7.378,866 3.427,867 4.007,868 4.511,869 1.593,870 7.479,871 3.938,872 7.346,873 1.139,874 9.024,875 2.733,876 6.043,877 6.864,878 3.045,879 10.56,880 5.948,881 8.652,882 1,883 10.732,884 2.332,885 6.431,886 7.388,887 3.114,888 12.275,889 6.306,890 9.993,891 0.931,892 12.482,893 2.275,894 7.896,895 9.197,896 4.214,897 14.843,898 7.749,899 11.358,900 0.711,901 14.258,902 2.248,903 8.67,904 10.113,905 4.563,906 16.882,907 8.489,908 12.74,909 0.521,910 16.053,911 1.693,912 9.911,913 11.696,914 5.473,915 19.272,916 9.71,917 3.058,918 0.484,919 17.862,920 1.297,921 10.859,922 12.81,923 5.966,924 21.444,925 10.626,926 2.937,927 10.034,928 19.681,929 0.868,930 12.01,931 14.286,932 6.771,933 23.766,934 11.755,935 2.827,936 9.449,937 21.506,938 3.986,939 13.037,940 15.508,941 7.343,942 25.995,943 12.752,944 2.367,945 9.172,946 23.338,947 3.552,948 14.151,949 16.931,950 8.089,951 28.29,952 13.844,953 1.988,954 6.842,955 25.173,956 3.207,957 15.214,958 18.215,959 8.704,960 30.546,961 14.88,962 1.903,963 5.54,964 27.012,965 2.951,966 16.315,967 19.611,968 9.418,969 32.83,970 15.958,971 1.788,972 5.02,973 28.854,974 2.338,975 17.394,976 20.931,977 10.058,978 35.099,979 17.012,980 13676,981 20155,982 21.671,983 41.569,984 48.933,985 49.259,986 50.364,987 48.484,988 48.472,989 57.564,990 5.931,991 133.541,992 47.361,993 5.303,994 5.785,995 6.438,996 5.08,997 5.058,998 6.986,999 3.426,1000 16.754,1001 4.992,1002 16.946,1003 1.483,1004 1.493,1005 1.526,1006 1.469,1007 1.469,1008 1.744,1009 0.18,1010 4.047,1011 1.435,1012 4.023,1013 4.057,1014 3.973,1015 3.926,1016 7.428,1017 3.928,1018 3.873,1019 3.921,1020 3.796,1021 3.692,1022 6.449,1023 3.706,1024 3.809,1025 3.859,1026 3.714,1027 3.67,1028 5.287,1029 3.664,1030 3.712,1031 3.773,1032 3.561,1033 3.549,1034 4.698,1035 3.55,1036 3.591,1037 3.651,1038 3.451,1039 3.442,1040 4.304,1041 3.437,1042 3.419,1043 3.494,1044 3.232,1045 3.226,1046 4.218,1047 3.226,1048 3.305,1049 3.361,1050 3.185,1051 3.056,1052 4.199,1053 3.078,1054 3.083,1055 3.175,1056 2.872,1057 2.911,1058 3.968,1059 2.893,1060 0.131,1061 0.115,1062 0.197,1063 0.122,1064 0.093,1065 4.329,1066 0.121,1067 3.785,1068 0.059,1069 6.485,1070 0.304,1071 4.037,1072 0.091,1073 3.058,1074 3.986,1075 1.957,1076 10.034,1077 2.992,1078 1.95,1079 1.923,1080 2.069,1081 2.044,1082 1.384,1083 2.053,1084 1.788,1085 1.727,1086 2.04,1087 1.949,1088 1.311,1089 1.983,1090 1.679,1091 1.629,1092 1.891,1093 1.852,1094 1.161,1095 1.857,1096 1.584,1097 1.538,1098 1.853,1099 1.778,1100 1.135,1101 1.8,1102 1.575,1103 1.511,1104 1.812,1105 1.77,1106 1.033,1107 1.786,1108 1.475,1109 1.4,1110 1.695,1111 1.728,1112 0.926,1113 1.736,1114 1.274,1115 1.204,1116 1.576,1117 1.518,1118 0.795,1119 1.532,1120 1.168,1121 1.114,1122 1.417,1123 1.429,1124 0.53,1125 1.403,1126 4.205,1128 5.493,1129 3.045,1130 6.957,1131 5.283,1132 8.507,1133 7.261,1134 10.104,1135 6.358,1139 9.992,1140 8.102,1141 6.165,1143 -1.104,1148 38.659,1149 97.517,1150 225.282,1151 310.124,1152 350.654,1153 360.163,1154 360.163,1155 79.223,1156 7.36,1157 100.28,1158 100.28,1159 16,1160 12.441,1161 3.7,1162 2.907,1163 58.587,1164 155,1165 195,1166 0.184,1167 240.408,1168 419.41,1169 578.355,1170 16235,1172 22.217,1173 0.717,1174 0.611,1175 22.217,1176 18.934,1177 14.99,1178 0.454,1179 0.353,1180 11.514,1181 14.482,1182 11.201,1183 9.407,1184 14.99,1185 11.64,1186 13.01,1187 0.296,1188 0.2,1189 13.01,1190 8.816,1191 10.545,1192 0.188,1193 0.106,1194 10.545,1195 5.926,1196 8.518,1197 0.123,1198 0.058,1199 8.518,1200 4.028,1201 5.908,1202 0.08,1203 0.032,1204 5.908,1205 2.37,1206 0.3,1207 93.73,1208 0.215,1209 29.91,1210 0.479,1211 154,1212 409.577,1213 169.576,1214 391.572,1215 532.54,1216 366,1217 177,1218 395.129,1219 193.521,1220 392.979,1221 573.27,1222 371,1223 6.959} {0 CHEMBL1209617,1 1.509,2 13.345,3 2.44,4 5.955,5 108.337,6 6.755,7 0.344,8 4.167,9 4.296,10 3.645,11 3.662,12 5.169,13 3.629,14 4.761,15 4.948,16 4.007,17 4.097,18 5.701,19 4.026,20 5.082,21 5.336,22 3.962,23 4.187,24 5.992,25 4.065,26 5.059,27 5.327,28 3.919,29 4.083,30 6.089,31 3.976,32 4.925,33 5.181,34 3.788,35 3.977,36 5.893,37 3.881,38 4.783,39 5.017,40 3.788,41 3.917,42 5.743,43 3.839,44 4.768,45 4.999,46 3.697,47 3.914,48 5.754,49 3.811,50 4.735,51 5.002,52 3.555,53 3.843,54 5.625,55 3.71,56 0.098,57 0.867,58 13.943,59 5.605,60 12.906,61 7.855,62 0.236,63 1.429,64 26.152,65 9.709,66 28.895,67 14.094,68 0.482,69 1.674,70 37.84,71 12.247,72 59.24,73 18.446,74 0.596,75 1.563,76 37.768,77 10.822,78 89.079,79 16.867,80 0.478,81 1.375,82 33.032,83 9.415,84 66.771,85 14.354,86 0.334,87 1.251,88 28.129,89 8.674,90 44.418,91 12.91,92 0.392,93 1.272,94 27.617,95 8.556,96 49.954,97 12.788,98 0.337,99 1.179,100 26.7,101 8.448,102 41.004,103 12.971,104 10,105 44,106 0.247,107 0.577,108 0.771,109 0.851,110 0.851,111 0.851,112 3.407,113 1.008,114 -4.39,115 -4.32,116 -4.07,117 37.3,118 1,119 7,120 1,123 1,124 3,130 4,131 2,136 1,142 1,144 1,149 1,151 13,152 2,153 4,154 1,156 4,158 15,161 8,163 1,164 2,165 2,167 9,170 12,172 1,173 1,174 3,176 5,179 11,183 3,185 4,188 9,191 4,193 7,196 5,197 2,199 4,200 9,203 1,204 1,205 3,206 11,208 2,213 2,214 11,216 1386,217 19.723,218 19.723,219 19.723,220 19.723,221 19.723,222 18.363,223 17.547,224 11.644,225 19.944,226 15.776,227 15.776,228 15.776,229 15.776,230 15.776,231 13.626,232 20.745,233 5.52,234 16.141,235 4.374,236 2.365,237 1.183,238 0.691,239 0.691,240 0.691,241 4.1,244 1,245 1,246 843,247 3.536,250 288.179,251 104.224,256 2.426,257 29.547,259 1,260 1,261 1,262 1,263 1,264 1,265 1,266 1,267 63,268 387,269 4.32,270 3.78,271 6.409,272 3.983,273 3.008,274 3.984,275 1.957,276 9.72,277 2.93,278 4.117,279 3.082,280 6.2,281 3.905,282 2.936,283 3.527,284 0.589,285 9.267,286 2.848,287 3.968,288 2.937,289 5.994,290 3.694,291 2.718,292 3.203,293 0.42,294 8.481,295 2.649,296 3.642,297 2.732,298 5.409,299 3.547,300 2.55,301 2.909,303 7.134,304 2.54,305 3.495,306 2.589,307 5.241,308 3.267,309 2.284,310 2.526,312 6.647,313 2.241,314 3.209,315 2.402,316 4.918,317 2.959,318 1.97,319 2.259,321 5.408,322 1.932,323 2.844,324 1.703,325 4.352,326 2.512,327 1.537,328 1.934,330 4.096,331 1.494,332 2.5,333 1.616,334 4.035,335 2.282,336 1.289,337 1.5,339 3.209,340 1.278,341 2.433,342 1.347,343 3.567,344 2.08,345 1.145,346 1.413,347 2.717,348 1.072,349 2.279,350 1.212,351 3.498,352 2.045,353 1.093,354 1.265,355 2.495,356 1.03,357 2.168,358 1.184,359 3.414,360 2,361 1,362 1.138,363 2.275,364 1,365 2.141,366 1,367 3.352,368 1.719,369 0.732,370 1.016,371 1.798,372 0.717,373 1.867,374 0.716,375 3.272,376 1.646,377 0.666,378 0.765,379 1.659,380 0.65,381 1.618,382 0.618,383 3,384 1.618,385 0.618,386 0.618,387 1.372,388 0.618,389 1.523,390 0.435,391 2.919,392 1.389,393 0.411,394 0.45,395 0.978,396 0.401,397 13.6,398 0.469,399 0.661,400 0.023,401 30.25,402 1.043,403 11.5,404 0.397,405 18.75,406 0.647,407 29.264,408 1.009,409 33.2,410 0.563,411 21.222,412 0.732,413 5.229,414 0.18,415 8.869,416 0.306,417 0.086,419 0.331,420 0.769,421 1.326,422 0.886,423 1.166,424 0.711,425 1.06,426 0.659,427 1.303,428 0.938,429 1.233,430 0.609,431 1.144,432 0.9,433 1.068,434 0.989,435 1.065,436 0.933,437 1.047,438 1.093,439 0.978,440 0.945,441 0.902,442 1.116,443 0.894,444 1.469,445 0.911,446 1.075,447 0.86,448 1.536,449 0.895,450 1.338,451 1.049,452 1.004,453 0.959,454 1.05,455 0.934,456 1.273,457 1.046,458 1.2,459 1.057,460 1.162,461 1.106,462 0.879,463 0.918,464 1.011,465 0.96,466 0.76,467 0.987,468 5.5,469 0.131,470 3.556,471 1.569,472 1.212,473 0.833,474 0.511,475 0.306,476 0.254,477 0.147,478 12933,479 28150,480 2.111,481 50.8,482 11,483 9,486 3,487 2,488 3,489 2,490 1.712,491 2,492 3.685,493 0.891,495 1,497 89.007,498 1.509,499 3.517,500 4.7,501 5.192,502 5.192,503 5.192,504 3.129,505 4.487,506 4.826,507 3.918,508 1590.75,509 8.369,510 23030.2,511 1,512 1,513 347.076,514 1.314,515 4.8,516 0.172,517 0.006,518 0.081,519 0.04,520 0.033,521 0.025,522 0.015,523 0.01,524 0.01,525 0.006,526 0.399,527 0.17,528 1,529 0.506,530 151.496,531 0.033,532 -0.019,533 0.05,534 0.035,535 -0.018,536 0.042,537 0.111,538 -0.124,539 0.003,540 -0.121,541 0.063,542 -0.086,543 0.031,544 -0.071,545 -0.014,546 -0.072,547 0.018,548 -0.056,549 0.025,550 -0.019,551 0.064,552 0.032,553 0.093,554 0.055,555 -0.207,556 0.064,557 -0.05,558 0.077,559 -0.169,560 0.047,561 -0.148,562 -0.035,563 0.005,564 0.032,565 -0.058,566 0.042,567 -0.166,568 0.018,569 -0.201,570 -0.071,571 -0.139,572 -0.134,573 -0.038,574 0.086,575 -0.043,576 0.014,577 -0.04,578 -0.005,579 1.953,580 5.321,581 0.724,582 35.496,583 0.998,584 1.136,585 3.157,586 9.968,587 0.632,588 3.497,589 3.807,590 4.06,591 4.263,592 4.277,593 4.382,594 4.477,595 4.564,596 4.691,597 4.745,598 8.028,599 0.595,600 398.56,601 3.497,602 5.03,603 5.872,604 6.732,605 7.583,606 8.445,607 9.3,608 10.162,609 11.019,610 11.882,611 6.8,613 1,617 1,620 2,623 4,624 2,626 1,628 4,630 11,638 59,639 12,640 1,641 32,642 62,643 22,644 8,645 2,646 4,648 4,649 4,652 1,655 7,656 1,657 10,659 9,660 13,661 1,662 1,664 1,667 1,669 1,670 30,671 7,672 3,673 7,677 4,681 1,682 3,684 1,689 1,692 3,693 1,700 1,705 1,708 1,710 4,712 1,715 29,717 1,718 8,719 2,721 4,731 5.1,732 1,734 1,736 1,737 14.5,738 10.35,739 6.361,740 3.958,741 2.1,742 1.28,743 0.929,744 6.511,745 9.608,746 3.676,747 4.171,748 4.655,749 5.132,750 5.456,751 5.758,752 6.119,753 6.432,754 6.795,755 6.936,756 0.889,757 39,758 10.832,759 4.699,760 7.678,761 21.145,762 18.101,763 2.178,764 63.167,767 1,768 317.82,769 85.001,770 72.404,772 77.562,774 85.001,775 395.382,776 72.404,777 8.825,778 37.858,779 98.599,780 71.252,781 18.433,783 317.82,785 317.82,786 157.405,787 77.562,790 261.292,791 93.735,792 42.683,793 69.714,794 48.981,795 36.382,797 317.82,798 149.966,799 85.001,801 317.82,802 38.271,803 46.73,804 36.022,805 113.945,806 317.82,807 149.966,808 85.001,810 0.582,811 0.341,812 0.176,813 0.074,814 21,815 9,816 0.113,817 7,819 1,820 4.277,821 242.629,823 21,824 132.881,826 20.367,827 9.271,828 4.989,830 149.966,831 7.833,832 8.665,834 5.427,836 3.197,838 78.705,839 552.787,840 38.5,842 12.321,845 -0.17,846 58.876,847 67.019,848 0.256,849 0.598,850 0.799,851 0.883,852 0.883,853 0.883,854 4.925,855 1.289,856 5.844,857 4.096,858 4.489,859 4.856,860 2.135,861 6.616,862 4.443,863 6.076,864 1.145,865 7.382,866 3.209,867 4.007,868 4.511,869 1.593,870 7.434,871 3.938,872 7.348,873 1.093,874 9.018,875 2.717,876 6.052,877 6.868,878 3.045,879 10.494,880 5.961,881 8.655,882 1,883 10.712,884 2.495,885 6.431,886 7.388,887 3.114,888 12.144,889 6.311,890 9.995,891 0.732,892 12.444,893 2.275,894 7.889,895 9.194,896 4.214,897 14.683,898 7.749,899 11.356,900 0.666,901 14.2,902 1.798,903 8.641,904 10.103,905 4.563,906 16.662,907 8.468,908 12.733,909 0.618,910 15.973,911 1.659,912 9.871,913 11.684,914 5.473,915 19.021,916 9.676,917 3.008,918 0.411,919 17.759,920 1.372,921 10.792,922 12.793,923 5.966,924 21.143,925 10.565,926 2.936,927 9.72,928 19.555,929 0.978,930 11.929,931 14.269,932 6.771,933 23.434,934 11.678,935 2.718,936 9.267,937 21.358,938 3.984,939 12.93,940 15.487,941 7.343,942 25.622,943 12.647,944 2.55,945 8.481,946 23.167,947 3.527,948 14.029,949 16.911,950 8.089,951 27.887,952 13.721,953 2.284,954 7.134,955 24.981,956 3.203,957 15.07,958 18.193,959 8.704,960 30.106,961 14.73,962 1.97,963 6.647,964 26.798,965 2.909,966 16.155,967 19.59,968 9.418,969 32.363,970 15.788,971 1.537,972 5.408,973 28.62,974 2.526,975 17.215,976 20.909,977 10.058,978 34.599,979 16.817,980 12116,981 18063,982 21.671,983 37.285,984 48.156,985 48.408,986 48.656,987 47.944,988 47.915,989 57.015,990 5.931,991 134.512,992 46.8,993 5.286,994 5.78,995 6.04,996 5.025,997 5.008,998 6.984,999 3.426,1000 16.439,1001 4.93,1002 12.286,1003 1.505,1004 1.513,1005 1.521,1006 1.498,1007 1.497,1008 1.782,1009 0.185,1010 4.203,1011 1.462,1012 4.021,1013 4.056,1014 3.97,1015 3.919,1016 7.428,1017 3.922,1018 3.894,1019 3.945,1020 3.793,1021 3.797,1022 6.449,1023 3.781,1024 3.865,1025 3.914,1026 3.758,1027 3.689,1028 5.287,1029 3.702,1030 3.728,1031 3.769,1032 3.656,1033 3.509,1034 4.699,1035 3.542,1036 3.471,1037 3.535,1038 3.349,1039 3.296,1040 4.302,1041 3.294,1042 3.255,1043 3.325,1044 3.099,1045 3.048,1046 4.273,1047 3.059,1048 3.152,1049 3.211,1050 2.989,1051 2.933,1052 4.121,1053 2.94,1054 2.893,1055 2.979,1056 2.702,1057 2.735,1058 3.844,1059 2.715,1060 0.135,1061 0.118,1062 0.2,1063 0.124,1064 0.094,1065 4.32,1066 0.125,1067 3.78,1068 0.061,1069 6.409,1070 0.304,1071 3.983,1072 0.092,1073 3.008,1074 3.984,1075 1.957,1076 9.72,1077 2.93,1078 1.939,1079 1.912,1080 2.048,1081 2.03,1082 1.372,1083 2.037,1084 1.748,1085 1.696,1086 1.97,1087 1.901,1088 1.217,1089 1.925,1090 1.625,1091 1.587,1092 1.86,1093 1.836,1094 1.211,1095 1.819,1096 1.577,1097 1.507,1098 1.817,1099 1.751,1100 1.158,1101 1.793,1102 1.513,1103 1.445,1104 1.753,1105 1.737,1106 0.939,1107 1.754,1108 1.411,1109 1.345,1110 1.651,1111 1.63,1112 0.898,1113 1.644,1114 1.348,1115 1.293,1116 1.601,1117 1.588,1118 0.841,1119 1.582,1120 1.05,1121 0.992,1122 1.212,1123 1.336,1124 0.304,1125 1.281,1126 4.174,1128 5.485,1129 3.434,1130 6.961,1131 5.638,1132 8.511,1133 7.573,1134 10.101,1135 1.934,1139 9.861,1140 8.595,1141 5.999,1143 -0.496,1148 35.078,1149 89.007,1150 207.524,1151 277.302,1152 306.321,1153 306.321,1154 306.321,1155 58.661,1156 7.507,1157 100.28,1158 100.28,1159 21,1160 12.431,1161 3.7,1162 2.907,1163 45.099,1164 142,1165 124,1166 0.154,1167 213.83,1168 372.45,1169 513.505,1170 20597,1172 20.217,1173 0.697,1174 0.584,1175 20.217,1176 16.934,1177 14.097,1178 0.441,1179 0.336,1180 10.621,1181 13.582,1182 10.429,1183 8.609,1184 14.097,1185 10.747,1186 12.604,1187 0.286,1188 0.19,1189 12.604,1190 8.341,1191 10.73,1192 0.188,1193 0.109,1194 10.73,1195 6.209,1196 8.733,1197 0.125,1198 0.062,1199 8.733,1200 4.365,1201 5.515,1202 0.078,1203 0.032,1204 5.515,1205 2.279,1206 0.252,1207 88.372,1208 0.215,1209 28.393,1210 0.398,1211 152,1212 407.577,1213 167.576,1214 388.606,1215 530.46,1216 364,1217 177,1218 395.129,1219 193.188,1220 391.846,1221 572.43,1222 371,1223 7.237} {0 CHEMBL1209685,1 1.49,2 14.033,3 2.896,4 8.389,5 112.938,6 6.655,7 0.333,8 4.21,9 4.341,10 3.675,11 3.707,12 5.198,13 3.669,14 4.808,15 4.998,16 4.032,17 4.14,18 5.731,19 4.063,20 5.144,21 5.4,22 4.024,23 4.262,24 6.032,25 4.136,26 5.15,27 5.42,28 3.957,29 4.176,30 6.139,31 4.052,32 5.02,33 5.289,34 3.819,35 4.049,36 5.942,37 3.936,38 4.85,39 5.091,40 3.818,41 3.977,42 5.783,43 3.887,44 4.833,45 5.069,46 3.761,47 3.962,48 5.807,49 3.86,50 4.793,51 5.057,52 3.627,53 3.894,54 5.694,55 3.77,56 0.105,57 0.905,58 14.822,59 5.944,60 12.871,61 8.38,62 0.25,63 1.492,64 27.695,65 10.278,66 28.637,67 14.986,68 0.497,69 1.788,70 40.168,71 13.228,72 59.013,73 19.906,74 0.609,75 1.708,76 41.087,77 12.157,78 89.497,79 18.911,80 0.503,81 1.482,82 36.247,83 10.494,84 68.329,85 16.136,86 0.346,87 1.329,88 30.106,89 9.395,90 44.921,91 14.068,92 0.406,93 1.343,94 29.629,95 9.033,96 50.798,97 13.644,98 0.39,99 1.25,100 28.45,101 8.646,102 44.297,103 13.394,104 10,105 45,106 0.242,107 0.559,108 0.75,109 0.84,110 0.855,111 0.855,112 3.44,113 1.022,114 -4.6,115 -4.52,116 -4.26,117 37.1,118 1,119 8,120 1,123 1,124 3,130 4,131 2,136 1,142 1,144 1,149 1,151 14,152 2,153 4,154 1,156 4,158 16,161 8,163 1,164 2,165 2,167 12,170 12,172 1,173 1,174 3,176 6,179 11,183 3,185 5,188 9,191 4,193 7,196 7,197 2,199 4,200 9,203 2,204 1,205 3,206 11,208 2,213 2,214 12,216 1566,217 20.43,218 20.43,219 20.43,220 20.43,221 20.43,222 19.07,223 17.547,224 12.144,225 20.651,226 16.276,227 16.276,228 16.276,229 16.276,230 16.276,231 14.126,232 20.745,233 5.77,234 16.641,235 4.464,236 2.512,237 1.336,238 0.778,239 0.69,240 0.69,241 4.135,244 1,245 1,246 913,247 3.536,250 197.897,251 225.642,256 2.502,257 29.771,259 1,260 1,261 1,262 1,263 1,264 1,265 1,266 1,267 65,268 421,269 4.32,270 3.78,271 6.409,272 3.983,273 3.008,274 3.984,275 1.957,276 9.72,277 2.93,278 4.117,279 3.082,280 6.2,281 3.905,282 2.936,283 3.527,284 0.589,285 9.267,286 2.848,287 3.968,288 2.937,289 5.994,290 3.693,291 2.718,292 3.203,293 0.42,294 8.481,295 2.647,296 3.638,297 2.732,298 5.402,299 3.529,300 2.532,301 2.909,303 7.114,304 2.523,305 3.478,306 2.578,307 5.235,308 3.264,309 2.281,310 2.505,312 6.634,313 2.238,314 3.209,315 2.392,316 4.918,317 2.959,318 1.97,319 2.259,321 5.408,322 1.932,323 2.845,324 1.706,325 4.351,326 2.554,327 1.568,328 1.935,330 4.095,331 1.544,332 2.506,333 1.616,334 4.035,335 2.428,336 1.443,337 1.504,339 3.244,340 1.417,341 2.5,342 1.489,343 3.629,344 2.109,345 1.158,346 1.5,347 3.063,348 1.102,349 2.403,350 1.26,351 3.561,352 2.046,353 1.112,354 1.377,355 2.499,356 1.031,357 2.173,358 1.208,359 3.414,360 2,361 1,362 1.138,363 2.275,364 1,365 2.141,366 1,367 3.353,368 2,369 1,370 1.021,371 2.136,372 1,373 2,374 1,375 3.277,376 1.726,377 0.739,378 1,379 1.812,380 0.725,381 1.867,382 0.727,383 3.247,384 1.652,385 0.668,386 0.765,387 1.668,388 0.654,389 1.639,390 0.522,391 3.041,392 1.485,393 0.512,394 0.569,395 1.223,396 0.498,397 14.1,398 0.47,399 0.661,400 0.022,401 30.75,402 1.025,403 11.5,404 0.383,405 19.25,406 0.642,407 31.342,408 1.045,409 34.5,410 0.556,411 21.546,412 0.718,413 5.229,414 0.174,415 9.369,416 0.312,417 0.083,419 0.319,420 0.769,421 1.334,422 0.903,423 1.18,424 0.71,425 1.078,426 0.658,427 1.311,428 0.954,429 1.245,430 0.606,431 1.158,432 0.881,433 1.052,434 0.972,435 1.048,436 0.913,437 1.029,438 1.043,439 1.014,440 0.972,441 0.96,442 1.061,443 0.951,444 1.38,445 0.877,446 1.02,447 0.833,448 1.443,449 0.863,450 1.298,451 1.042,452 0.992,453 0.96,454 1.019,455 0.936,456 1.302,457 1.063,458 1.159,459 1.045,460 1.158,461 1.072,462 1.068,463 0.915,464 1.06,465 0.924,466 0.835,467 0.968,468 5.5,469 0.132,470 3.556,471 1.535,472 1.238,473 0.892,474 0.482,475 0.349,476 0.273,477 0.142,478 14219,479 30194,480 2.107,481 51.6,482 13,483 9,486 3,487 2,488 3,489 2,490 1.721,491 2,492 3.752,493 0.867,495 1,497 92.363,498 1.49,499 3.442,500 4.619,501 5.176,502 5.265,503 5.265,504 3.231,505 4.548,506 4.875,507 3.974,508 1728.54,509 8.466,510 25803.4,511 1,513 369.16,514 1.295,515 4.851,516 0.167,517 0.006,518 0.079,519 0.037,520 0.033,521 0.026,522 0.014,523 0.011,524 0.01,525 0.006,526 0.387,527 0.17,528 1,529 0.496,530 158.772,531 0.038,532 -0.019,533 0.05,534 0.033,535 -0.013,536 0.04,537 0.114,538 -0.13,539 -0.002,540 -0.126,541 0.066,542 -0.092,543 0.037,544 -0.048,545 0.003,546 -0.047,547 0.025,548 -0.032,549 0.031,550 -0.052,551 0.029,552 -0.015,553 0.099,554 0.006,555 -0.167,556 0.076,557 -0.001,558 0.099,559 -0.135,560 0.081,561 -0.129,562 -0.033,563 0.016,564 0.032,565 -0.044,566 0.044,567 -0.144,568 -0.004,569 -0.148,570 -0.065,571 -0.124,572 -0.104,573 -0.09,574 0.105,575 -0.07,576 0.036,577 -0.068,578 -0.001,579 1.954,580 5.34,581 0.733,582 37.96,583 0.996,584 1.136,585 3.372,586 11.37,587 0.63,588 3.526,589 3.829,590 4.078,591 4.277,592 4.357,593 4.407,594 4.5,595 4.585,596 4.727,597 4.779,598 8.307,599 0.59,600 412.59,601 3.526,602 5.056,603 5.894,604 6.751,605 7.599,606 8.459,607 9.311,608 10.172,609 11.027,610 11.888,611 6.5,613 1,617 1,620 2,623 4,624 2,626 1,628 4,630 11,638 62,639 12,640 1,641 33,642 65,643 23,644 8,645 2,646 4,648 4,649 4,652 1,655 8,656 1,657 11,659 9,660 14,661 1,662 1,664 1,667 1,669 1,670 32,671 7,672 3,673 7,677 4,681 1,682 3,684 1,689 1,692 2,693 2,700 1,705 1,708 1,710 4,712 1,715 30,717 1,718 9,719 2,721 4,731 4.8,732 1,734 1,736 1,737 15,738 10.85,739 6.611,740 4.208,741 2.109,742 1.277,743 0.928,744 7.061,745 9.723,746 3.701,747 4.186,748 4.665,749 5.138,750 5.481,751 5.764,752 6.124,753 6.435,754 6.802,755 6.945,756 1,757 42,758 11.211,759 4.844,760 7.656,761 21.961,762 18.768,763 2.156,764 64.667,767 1,768 341.362,769 87.536,770 72.404,772 77.562,774 87.536,775 418.924,776 72.404,777 8.825,778 40.393,779 98.599,780 71.252,781 18.433,783 341.362,785 341.362,786 159.939,787 77.562,790 284.834,791 93.735,792 42.683,793 72.249,794 48.981,795 36.382,797 341.362,798 149.966,799 87.536,801 341.362,802 40.806,803 46.73,804 36.022,805 113.945,806 341.362,807 149.966,808 87.536,810 0.579,811 0.338,812 0.175,813 0.081,814 21,815 9,816 0.108,817 7,819 1,820 4.363,821 252.925,823 22,824 139.207,826 21.328,827 9.932,828 5.429,830 149.966,831 7.848,832 8.707,834 5.459,836 3.205,838 78.705,839 578.864,840 39.5,842 12.34,845 -0.169,846 61.76,847 70.434,848 0.25,849 0.578,850 0.776,851 0.869,852 0.884,853 0.884,854 4.947,855 1.443,856 5.861,857 4.095,858 4.511,859 4.871,860 2.135,861 6.627,862 4.466,863 6.092,864 1.158,865 7.394,866 3.244,867 4.007,868 4.511,869 1.593,870 7.434,871 3.938,872 7.361,873 1.112,874 9.027,875 3.063,876 6.066,877 6.874,878 3.045,879 10.497,880 5.976,881 8.662,882 1,883 10.718,884 2.499,885 6.415,886 7.382,887 3.114,888 12.14,889 6.293,890 9.999,891 1,892 12.447,893 2.275,894 7.897,895 9.196,896 4.214,897 14.683,898 7.757,899 11.357,900 0.739,901 14.201,902 2.136,903 8.626,904 10.1,905 4.563,906 16.659,907 8.45,908 12.732,909 0.668,910 15.973,911 1.812,912 9.873,913 11.685,914 5.473,915 19.021,916 9.678,917 3.008,918 0.512,919 17.759,920 1.668,921 10.781,922 12.791,923 5.966,924 21.141,925 10.55,926 2.936,927 9.72,928 19.554,929 1.223,930 11.927,931 14.269,932 6.771,933 23.434,934 11.676,935 2.718,936 9.267,937 21.357,938 3.984,939 12.922,940 15.487,941 7.343,942 25.621,943 12.635,944 2.532,945 8.481,946 23.166,947 3.527,948 14.026,949 16.911,950 8.089,951 27.887,952 13.716,953 2.281,954 7.114,955 24.98,956 3.203,957 15.063,958 18.192,959 8.704,960 30.106,961 14.72,962 1.97,963 6.634,964 26.797,965 2.909,966 16.151,967 19.59,968 9.418,969 32.362,970 15.782,971 1.568,972 5.408,973 28.619,974 2.505,975 17.21,976 20.909,977 10.058,978 34.598,979 16.81,980 13355,981 19681,982 22.364,983 39.046,984 49.699,985 49.977,986 50.314,987 49.304,988 49.292,989 58.393,990 5.931,991 137.275,992 48.177,993 5.32,994 5.78,995 6.211,996 5.024,997 5.008,998 6.984,999 3.426,1000 16.439,1001 4.93,1002 12.619,1003 1.506,1004 1.514,1005 1.525,1006 1.494,1007 1.494,1008 1.769,1009 0.18,1010 4.16,1011 1.46,1012 4.021,1013 4.056,1014 3.97,1015 3.919,1016 7.428,1017 3.922,1018 3.889,1019 3.941,1020 3.792,1021 3.791,1022 6.449,1023 3.775,1024 3.866,1025 3.914,1026 3.755,1027 3.689,1028 5.287,1029 3.702,1030 3.732,1031 3.774,1032 3.657,1033 3.518,1034 4.699,1035 3.548,1036 3.477,1037 3.542,1038 3.352,1039 3.31,1040 4.302,1041 3.305,1042 3.317,1043 3.385,1044 3.159,1045 3.112,1046 4.271,1047 3.122,1048 3.158,1049 3.214,1050 3.007,1051 2.943,1052 4.121,1053 2.952,1054 3.111,1055 3.206,1056 2.866,1057 2.941,1058 3.864,1059 2.91,1060 0.131,1061 0.115,1062 0.194,1063 0.121,1064 0.091,1065 4.32,1066 0.121,1067 3.78,1068 0.059,1069 6.409,1070 0.295,1071 3.983,1072 0.089,1073 3.008,1074 3.984,1075 1.957,1076 9.72,1077 2.93,1078 1.939,1079 1.913,1080 2.124,1081 2.043,1082 1.528,1083 2.073,1084 1.904,1085 1.851,1086 2.048,1087 2.028,1088 1.217,1089 2.036,1090 1.627,1091 1.588,1092 1.818,1093 1.837,1094 1.158,1095 1.821,1096 1.547,1097 1.492,1098 1.791,1099 1.747,1100 1.117,1101 1.76,1102 1.509,1103 1.44,1104 1.751,1105 1.736,1106 0.938,1107 1.75,1108 1.402,1109 1.333,1110 1.65,1111 1.629,1112 0.844,1113 1.641,1114 1.153,1115 1.07,1116 1.513,1117 1.387,1118 0.825,1119 1.429,1120 1.135,1121 1.064,1122 1.41,1123 1.376,1124 0.704,1125 1.38,1126 4.205,1128 5.509,1129 3.045,1130 6.991,1131 5.283,1132 8.547,1133 7.261,1134 10.141,1135 1.936,1139 9.873,1140 9.969,1141 6.006,1143 -0.508,1148 36.605,1149 92.363,1150 213.412,1151 286.347,1152 320.896,1153 326.405,1154 326.405,1155 62.077,1156 7.614,1157 100.28,1158 100.28,1159 22,1160 12.439,1161 3.7,1162 2.907,1163 47.456,1164 151,1165 142,1166 0.151,1167 223.422,1168 389.75,1169 536.91,1170 23993,1172 20.924,1173 0.697,1174 0.588,1175 20.924,1176 17.641,1177 14.597,1178 0.442,1179 0.341,1180 11.121,1181 14.082,1182 10.919,1183 9.025,1184 14.597,1185 11.247,1186 12.958,1187 0.288,1188 0.193,1189 12.958,1190 8.695,1191 10.98,1192 0.189,1193 0.111,1194 10.98,1195 6.459,1196 8.91,1197 0.125,1198 0.064,1199 8.91,1200 4.541,1201 6.127,1202 0.08,1203 0.038,1204 6.127,1205 2.892,1206 0.247,1207 91.372,1208 0.211,1209 29.247,1210 0.388,1211 156,1212 411.577,1213 171.576,1214 392.767,1215 536.22,1216 368,1217 181,1218 399.129,1219 197.188,1220 396.008,1221 578.19,1222 375,1223 7.699} {0 CHEMBL1209686,1 1.472,2 14.065,3 3.42,4 11.697,5 117.463,6 6.563,7 0.324,8 4.252,9 4.385,10 3.705,11 3.749,12 5.227,13 3.707,14 4.853,15 5.046,16 4.055,17 4.182,18 5.758,19 4.099,20 5.192,21 5.451,22 4.065,23 4.306,24 6.06,25 4.178,26 5.201,27 5.471,28 4.02,29 4.241,30 6.17,31 4.119,32 5.093,33 5.357,34 3.921,35 4.156,36 6.018,37 4.042,38 4.981,39 5.221,40 3.908,41 4.103,42 5.913,43 4.003,44 4.962,45 5.208,46 3.871,47 4.085,48 5.9,49 3.978,50 4.932,51 5.189,52 3.719,53 4.023,54 5.84,55 3.889,56 0.112,57 0.944,58 15.692,59 6.283,60 12.747,61 8.901,62 0.263,63 1.554,64 29.211,65 10.846,66 28.125,67 15.87,68 0.506,69 1.87,70 42.067,71 13.904,72 58.741,73 21.007,74 0.641,75 1.815,76 43.12,77 12.726,78 87.352,79 19.901,80 0.487,81 1.624,82 38.657,83 11.676,84 67.259,85 17.819,86 0.401,87 1.503,88 34.371,89 10.871,90 53.783,91 16.215,92 0.437,93 1.52,94 33.711,95 10.333,96 51.901,97 15.764,98 0.431,99 1.427,100 32.66,101 10.094,102 51.649,103 15.529,104 11,105 46,106 0.237,107 0.542,108 0.737,109 0.844,110 0.858,111 0.858,112 3.471,113 1.04,114 -4.81,115 -4.72,116 -4.44,117 36.9,118 1,119 9,120 1,123 1,124 3,130 4,131 2,136 1,142 1,144 1,149 1,151 15,152 2,153 4,154 1,156 4,158 16,161 8,163 1,164 2,165 3,167 13,170 12,172 1,173 1,174 3,176 8,179 12,183 3,185 7,188 9,191 5,193 8,196 7,197 2,199 5,200 10,203 4,204 1,205 3,206 11,208 2,209 1,213 2,214 12,216 1675,217 21.3,218 21.3,219 21.3,220 21.3,221 21.3,222 19.94,223 17.547,224 12.667,225 21.513,226 16.714,227 16.714,228 16.714,229 16.714,230 16.714,231 14.571,232 20.745,233 5.924,234 17.077,235 4.55,236 2.652,237 1.439,238 0.773,239 0.689,240 0.689,241 4.167,244 1,245 1,246 942,247 3.674,250 206.235,251 235.023,256 2.454,257 30.654,259 1,260 1,261 1,262 1,263 1,264 1,265 1,266 1,267 67,268 436,269 4.322,270 3.782,271 6.417,272 3.994,273 3.018,274 3.985,275 1.957,276 9.77,277 2.942,278 4.126,279 3.109,280 6.211,281 3.906,282 2.937,283 3.534,284 0.589,285 9.291,286 2.849,287 3.977,288 2.945,289 6.083,290 3.723,291 2.749,292 3.204,293 0.42,294 8.84,295 2.673,296 3.649,297 2.733,298 5.402,299 3.532,300 2.535,301 2.92,303 7.118,304 2.527,305 3.481,306 2.581,307 5.236,308 3.272,309 2.289,310 2.506,312 6.642,313 2.247,314 3.211,315 2.395,316 4.921,317 2.959,318 1.97,319 2.267,321 5.426,322 1.933,323 2.881,324 1.754,325 4.435,326 2.595,327 1.611,328 1.965,330 4.265,331 1.582,332 2.559,333 1.617,334 4.118,335 2.474,336 1.479,337 1.561,339 3.402,340 1.471,341 2.5,342 1.499,343 3.639,344 2.177,345 1.203,346 1.5,347 3.086,348 1.17,349 2.465,350 1.29,351 3.622,352 2.049,353 1.135,354 1.46,355 2.546,356 1.033,357 2.179,358 1.21,359 3.414,360 2,361 1,362 1.141,363 2.275,364 1,365 2.144,366 1,367 3.374,368 2,369 1,370 1.028,371 2.136,372 1,373 2,374 1,375 3.28,376 1.767,377 0.784,378 1,379 1.905,380 0.765,381 1.884,382 0.728,383 3.247,384 1.688,385 0.712,386 0.819,387 1.718,388 0.693,389 1.64,390 0.634,391 3.044,392 1.486,393 0.514,394 0.571,395 1.226,396 0.499,397 14.6,398 0.471,399 0.623,400 0.02,401 31.25,402 1.008,403 11.5,404 0.371,405 19.75,406 0.637,407 33.523,408 1.081,409 35.8,410 0.551,411 22.11,412 0.713,413 5.216,414 0.168,415 9.919,416 0.32,417 0.08,419 0.308,420 0.769,421 1.34,422 0.919,423 1.193,424 0.708,425 1.093,426 0.657,427 1.318,428 0.969,429 1.255,430 0.612,431 1.172,432 0.865,433 1.057,434 0.945,435 1.035,436 0.899,437 1.009,438 1.077,439 0.987,440 0.979,441 0.93,442 1.075,443 0.931,444 1.321,445 0.924,446 1.017,447 0.892,448 1.375,449 0.904,450 1.368,451 1.074,452 1.044,453 0.999,454 1.296,455 0.984,456 1.229,457 1.021,458 1.109,459 1.009,460 1.05,461 1.03,462 1.158,463 1.043,464 1.138,465 1.037,466 1.012,467 1.073,468 5.5,469 0.132,470 3.556,471 1.535,472 1.318,473 0.92,474 0.563,475 0.39,476 0.273,477 0.167,478 15128,479 31475,480 2.104,481 52.3,482 16,483 9,486 3,487 2,488 2,489 2,490 1.731,491 2,492 3.756,493 0.844,495 1,497 95.686,498 1.472,499 3.37,500 4.584,501 5.249,502 5.334,503 5.334,504 3.244,505 4.567,506 4.922,507 3.974,508 1847.76,509 8.569,510 28029.7,513 391.454,514 1.277,515 4.899,516 0.162,517 0.006,518 0.077,519 0.035,520 0.032,521 0.024,522 0.015,523 0.011,524 0.009,525 0.006,526 0.377,527 0.17,528 1,529 0.646,530 165.233,531 0.042,532 -0.018,533 0.05,534 0.031,535 -0.007,536 0.038,537 0.116,538 -0.134,539 -0.008,540 -0.131,541 0.062,542 -0.098,543 0.052,544 -0.054,545 0.031,546 -0.033,547 0.036,548 -0.011,549 0.018,550 -0.006,551 0.026,552 0.014,553 0.085,554 0.024,555 -0.143,556 0.053,557 -0.004,558 0.064,559 -0.101,560 0.056,561 -0.145,562 -0.067,563 -0.029,564 0.001,565 -0.106,566 0.001,567 -0.117,568 0.035,569 -0.099,570 -0.033,571 -0.079,572 -0.058,573 -0.111,574 -0.024,575 -0.141,576 -0.063,577 -0.103,578 -0.099,579 1.953,580 5.499,581 0.71,582 39.13,583 0.995,584 1.136,585 3.583,586 12.839,587 0.628,588 3.555,589 3.85,590 4.111,591 4.317,592 4.407,593 4.454,594 4.575,595 4.663,596 4.779,597 4.836,598 8.309,599 0.587,600 426.62,601 3.555,602 5.081,603 5.922,604 6.779,605 7.63,606 8.49,607 9.346,608 10.208,609 11.066,610 11.929,611 6.2,613 1,617 1,620 2,623 4,624 2,626 1,628 4,630 11,638 65,639 12,640 1,641 34,642 68,643 24,644 8,645 2,646 4,648 4,649 4,652 1,655 8,656 1,657 12,659 9,660 15,661 1,662 1,664 1,667 1,670 34,671 7,672 3,673 7,677 4,681 1,682 3,684 1,689 1,692 2,693 2,700 1,705 1,708 1,710 4,712 1,715 31,717 1,718 10,719 2,721 4,731 4.6,732 1,734 1,736 1,737 15.5,738 11.35,739 6.944,740 4.542,741 2.104,742 1.275,743 0.926,744 7.626,745 9.765,746 3.726,747 4.201,748 4.683,749 5.162,750 5.512,751 5.791,752 6.166,753 6.493,754 6.838,755 7.003,756 1,757 44,758 11.596,759 4.993,760 7.634,761 22.778,762 19.44,763 2.134,764 66.167,768 364.904,769 90.07,770 72.404,772 77.562,774 90.07,775 442.467,776 72.404,777 8.825,778 42.927,779 98.599,780 71.252,781 18.433,783 364.904,785 364.904,786 162.474,787 77.562,790 320.148,791 81.963,792 42.683,793 74.783,794 48.981,795 36.382,797 364.904,798 149.966,799 90.07,801 364.904,802 43.34,803 46.73,804 36.022,805 113.945,806 364.904,807 149.966,808 90.07,810 0.573,811 0.341,812 0.18,813 0.085,814 21,815 9,816 0.118,817 8,819 1,820 4.414,821 265.808,823 22,824 145.58,826 22.291,827 10.605,828 5.667,830 149.966,831 7.95,832 8.747,834 5.48,836 3.255,838 78.705,839 604.941,840 40.5,842 12.499,845 -0.151,846 64.643,847 73.849,848 0.244,849 0.56,850 0.761,851 0.872,852 0.886,853 0.886,854 4.968,855 1.479,856 5.883,857 4.265,858 4.533,859 4.887,860 2.135,861 6.653,862 4.489,863 6.107,864 1.203,865 7.418,866 3.402,867 4.007,868 4.511,869 1.593,870 7.476,871 3.938,872 7.375,873 1.135,874 9.051,875 3.086,876 6.089,877 6.885,878 3.045,879 10.54,880 6,881 8.676,882 1,883 10.744,884 2.546,885 6.431,886 7.388,887 3.114,888 12.203,889 6.309,890 10.013,891 1,892 12.476,893 2.275,894 7.922,895 9.204,896 4.214,897 14.746,898 7.783,899 11.372,900 0.784,901 14.233,902 2.136,903 8.65,904 10.107,905 4.563,906 16.739,907 8.475,908 12.747,909 0.712,910 16.009,911 1.905,912 9.902,913 11.691,914 5.473,915 19.102,916 9.709,917 3.018,918 0.514,919 17.798,920 1.718,921 10.812,922 12.798,923 5.966,924 21.235,925 10.583,926 2.937,927 9.77,928 19.597,929 1.226,930 11.961,931 14.275,932 6.771,933 23.53,934 11.712,935 2.749,936 9.291,937 21.403,938 3.985,939 12.958,940 15.494,941 7.343,942 25.726,943 12.675,944 2.535,945 8.84,946 23.215,947 3.534,948 14.065,949 16.917,950 8.089,951 27.994,952 13.758,953 2.289,954 7.118,955 25.032,956 3.204,957 15.105,958 18.199,959 8.704,960 30.22,961 14.766,962 1.97,963 6.642,964 26.853,965 2.92,966 16.195,967 19.597,968 9.418,969 32.479,970 15.831,971 1.611,972 5.426,973 28.677,974 2.506,975 17.256,976 20.916,977 10.058,978 34.72,979 16.861,980 14264,981 20792,982 23.057,983 40.807,984 50.651,985 51.098,986 51.709,987 50.352,988 50.323,989 59.412,990 5.931,991 139.969,992 49.213,993 5.322,994 5.782,995 6.219,996 5.036,997 5.018,998 6.985,999 3.426,1000 16.489,1001 4.942,1002 12.976,1003 1.49,1004 1.503,1005 1.521,1006 1.481,1007 1.48,1008 1.747,1009 0.174,1010 4.117,1011 1.447,1012 4.024,1013 4.06,1014 3.973,1015 3.923,1016 7.428,1017 3.926,1018 3.891,1019 3.943,1020 3.795,1021 3.791,1022 6.449,1023 3.776,1024 3.866,1025 3.914,1026 3.755,1027 3.69,1028 5.287,1029 3.703,1030 3.741,1031 3.785,1032 3.662,1033 3.532,1034 4.696,1035 3.559,1036 3.535,1037 3.599,1038 3.397,1039 3.384,1040 4.303,1041 3.375,1042 3.324,1043 3.396,1044 3.159,1045 3.138,1046 4.271,1047 3.139,1048 3.271,1049 3.33,1050 3.124,1051 3.026,1052 4.146,1053 3.045,1054 3.111,1055 3.206,1056 2.866,1057 2.941,1058 3.865,1059 2.91,1060 0.127,1061 0.111,1062 0.189,1063 0.117,1064 0.089,1065 4.322,1066 0.117,1067 3.782,1068 0.058,1069 6.417,1070 0.287,1071 3.994,1072 0.087,1073 3.018,1074 3.985,1075 1.957,1076 9.77,1077 2.942,1078 1.944,1079 1.917,1080 2.124,1081 2.043,1082 1.528,1083 2.073,1084 1.904,1085 1.852,1086 2.057,1087 2.034,1088 1.274,1089 2.043,1090 1.643,1091 1.6,1092 1.843,1093 1.842,1094 1.16,1095 1.833,1096 1.557,1097 1.502,1098 1.809,1099 1.75,1100 1.118,1101 1.77,1102 1.534,1103 1.476,1104 1.787,1105 1.74,1106 0.993,1107 1.753,1108 1.461,1109 1.386,1110 1.689,1111 1.705,1112 0.922,1113 1.718,1114 1.176,1115 1.113,1116 1.513,1117 1.414,1118 0.825,1119 1.429,1120 1.153,1121 1.064,1122 1.414,1123 1.381,1124 0.705,1125 1.398,1126 4.234,1128 5.533,1129 3.045,1130 7.015,1131 5.283,1132 8.573,1133 7.261,1134 10.17,1135 2.037,1139 9.946,1140 10.742,1141 6.117,1143 -0.456,1148 38.132,1149 95.686,1150 219.072,1151 297.944,1152 341.189,1153 346.699,1154 346.699,1155 66.386,1156 7.661,1157 100.28,1158 100.28,1159 22,1160 12.478,1161 3.7,1162 2.907,1163 49.777,1164 157,1165 151,1166 0.154,1167 233.015,1168 407.05,1169 560.316,1170 25077,1172 21.631,1173 0.698,1174 0.592,1175 21.631,1176 18.348,1177 15.135,1178 0.445,1179 0.347,1180 11.659,1181 14.625,1182 11.457,1183 9.487,1184 15.135,1185 11.785,1186 13.149,1187 0.286,1188 0.194,1189 13.149,1190 8.934,1191 11.297,1192 0.188,1193 0.112,1194 11.297,1195 6.727,1196 9.203,1197 0.124,1198 0.065,1199 9.203,1200 4.781,1201 6.518,1202 0.08,1203 0.038,1204 6.518,1205 3.074,1206 0.25,1207 94.6,1208 0.208,1209 29.937,1210 0.398,1211 160,1212 415.577,1213 175.576,1214 396.735,1215 542.52,1216 372,1217 186,1218 404.129,1219 202.355,1220 400.808,1221 586.56,1222 380,1223 8} {0 CHEMBL1209687,1 1.49,2 13.367,3 2.964,4 8.785,5 112.862,6 6.655,7 0.333,8 4.21,9 4.341,10 3.675,11 3.707,12 5.198,13 3.669,14 4.808,15 4.998,16 4.032,17 4.14,18 5.728,19 4.063,20 5.132,21 5.391,22 4.005,23 4.235,24 6.021,25 4.11,26 5.115,27 5.383,28 3.985,29 4.155,30 6.122,31 4.049,32 5.005,33 5.256,34 3.893,35 4.092,36 5.973,37 3.992,38 4.923,39 5.156,40 3.88,41 4.05,42 5.879,43 3.959,44 4.905,45 5.147,46 3.813,47 4.044,48 5.852,49 3.934,50 4.881,51 5.142,52 3.655,53 3.978,54 5.78,55 3.835,56 0.105,57 0.905,58 14.822,59 5.944,60 12.807,61 8.38,62 0.25,63 1.492,64 27.695,65 10.278,66 28.453,67 14.986,68 0.492,69 1.756,70 39.767,71 12.924,72 59.084,73 19.557,74 0.628,75 1.67,76 39.811,77 11.389,78 87.279,79 17.858,80 0.461,81 1.517,82 35.476,83 10.6,84 65.63,85 16.055,86 0.39,87 1.426,88 32.424,89 10.155,90 53.835,91 15.068,92 0.423,93 1.45,94 31.741,95 9.865,96 51.326,97 14.925,98 0.379,99 1.355,100 30.894,101 9.902,102 48.674,103 15.099,104 11,105 45,106 0.242,107 0.559,108 0.757,109 0.855,110 0.855,111 0.855,112 3.44,113 1.026,114 -4.6,115 -4.52,116 -4.26,117 37.1,118 1,119 8,120 1,123 1,124 3,130 4,131 2,136 1,142 1,144 1,149 1,151 14,152 2,153 4,154 1,156 4,158 15,161 8,163 1,164 2,165 3,167 10,170 12,172 1,173 1,174 3,176 7,179 12,183 3,185 6,188 9,191 5,193 8,196 5,197 2,199 5,200 10,203 3,204 1,205 3,206 11,208 2,209 1,213 2,214 11,216 1480,217 20.593,218 20.593,219 20.593,220 20.593,221 20.593,222 19.233,223 17.547,224 12.167,225 20.806,226 16.214,227 16.214,228 16.214,229 16.214,230 16.214,231 14.071,232 20.745,233 5.674,234 16.577,235 4.464,236 2.512,237 1.291,238 0.69,239 0.69,240 0.69,241 4.133,244 1,245 1,246 870,247 3.674,250 300.72,251 108.652,256 2.367,257 30.425,259 1,260 1,261 1,262 1,263 1,264 1,265 1,266 1,267 65,268 401,269 4.322,270 3.782,271 6.417,272 3.994,273 3.018,274 3.985,275 1.957,276 9.77,277 2.942,278 4.126,279 3.109,280 6.211,281 3.906,282 2.937,283 3.534,284 0.589,285 9.291,286 2.849,287 3.977,288 2.945,289 6.083,290 3.723,291 2.749,292 3.204,293 0.42,294 8.84,295 2.674,296 3.652,297 2.733,298 5.409,299 3.55,300 2.552,301 2.92,303 7.137,304 2.545,305 3.499,306 2.591,307 5.242,308 3.275,309 2.292,310 2.527,312 6.656,313 2.25,314 3.211,315 2.405,316 4.921,317 2.959,318 1.97,319 2.267,321 5.426,322 1.932,323 2.881,324 1.752,325 4.435,326 2.58,327 1.6,328 1.965,330 4.265,331 1.564,332 2.541,333 1.616,334 4.118,335 2.321,336 1.327,337 1.543,339 3.389,340 1.319,341 2.5,342 1.373,343 3.634,344 2.126,345 1.154,346 1.5,347 2.718,348 1.121,349 2.287,350 1.212,351 3.501,352 2.049,353 1.132,354 1.276,355 2.544,356 1.032,357 2.172,358 1.197,359 3.414,360 2,361 1,362 1.141,363 2.275,364 1,365 2.144,366 1,367 3.373,368 1.767,369 0.784,370 1.022,371 1.902,372 0.765,373 1.884,374 0.717,375 3.274,376 1.674,377 0.702,378 0.819,379 1.698,380 0.68,381 1.618,382 0.634,383 3,384 1.618,385 0.618,386 0.618,387 1.372,388 0.618,389 1.525,390 0.618,391 2.922,392 1.391,393 0.414,394 0.453,395 0.982,396 0.404,397 14.1,398 0.47,399 0.623,400 0.021,401 30.75,402 1.025,403 11.5,404 0.383,405 19.25,406 0.642,407 31.413,408 1.047,409 34.5,410 0.556,411 21.786,412 0.726,413 5.216,414 0.174,415 9.419,416 0.314,417 0.083,419 0.319,420 0.769,421 1.334,422 0.903,423 1.18,424 0.708,425 1.078,426 0.658,427 1.311,428 0.954,429 1.245,430 0.613,431 1.158,432 0.882,433 1.073,434 0.959,435 1.05,436 0.917,437 1.024,438 1.125,439 0.949,440 0.953,441 0.872,442 1.127,443 0.875,444 1.397,445 0.959,446 1.067,447 0.923,448 1.454,449 0.938,450 1.4,451 1.081,452 1.056,453 1,454 1.326,455 0.985,456 1.195,457 1.004,458 1.14,459 1.018,460 1.047,461 1.056,462 0.984,463 1.049,464 1.097,465 1.073,466 0.942,467 1.094,468 5.5,469 0.131,470 3.556,471 1.569,472 1.292,473 0.861,474 0.592,475 0.346,476 0.254,477 0.172,478 13784,479 29373,480 2.107,481 51.6,482 14,483 9,486 3,487 2,488 2,489 2,490 1.723,491 2,492 3.689,493 0.867,495 1,497 92.363,498 1.49,499 3.442,500 4.663,501 5.265,502 5.265,503 5.265,504 3.144,505 4.057,506 4.875,507 3.918,508 1704.31,509 8.476,510 25088.8,511 1,513 369.16,514 1.295,515 4.851,516 0.167,517 0.006,518 0.079,519 0.038,520 0.032,521 0.023,522 0.016,523 0.01,524 0.009,525 0.007,526 0.388,527 0.17,528 1,529 0.659,530 157.884,531 0.038,532 -0.019,533 0.05,534 0.033,535 -0.011,536 0.04,537 0.114,538 -0.13,539 -0.002,540 -0.126,541 0.059,542 -0.092,543 0.047,544 -0.077,545 0.017,546 -0.056,547 0.031,548 -0.031,549 0.011,550 0.03,551 0.06,552 0.061,553 0.079,554 0.071,555 -0.177,556 0.04,557 -0.049,558 0.04,559 -0.129,560 0.022,561 -0.162,562 -0.071,563 -0.041,564 -0.001,565 -0.121,566 -0.004,567 -0.135,568 0.057,569 -0.142,570 -0.035,571 -0.09,572 -0.081,573 -0.066,574 -0.045,575 -0.122,576 -0.087,577 -0.079,578 -0.108,579 1.953,580 5.48,581 0.7,582 36.489,583 0.996,584 1.136,585 3.372,586 11.37,587 0.63,588 3.526,589 3.829,590 4.094,591 4.304,592 4.331,593 4.431,594 4.554,595 4.644,596 4.745,597 4.804,598 8.027,599 0.59,600 412.59,601 3.526,602 5.056,603 5.9,604 6.76,605 7.614,606 8.477,607 9.335,608 10.199,609 11.059,610 11.923,611 6.5,613 1,617 1,620 2,623 4,624 2,626 1,628 4,630 11,638 62,639 12,640 1,641 33,642 65,643 23,644 8,645 2,646 4,648 4,649 4,652 1,655 7,656 1,657 11,659 9,660 14,661 1,662 1,664 1,667 1,669 1,670 32,671 7,672 3,673 7,677 4,681 1,682 3,684 1,689 1,692 3,693 1,700 1,705 1,708 1,710 4,712 1,715 30,717 1,718 9,719 2,721 4,731 4.8,732 1,734 1,736 1,737 15,738 10.85,739 6.694,740 4.292,741 2.095,742 1.277,743 0.928,744 7.061,745 9.65,746 3.701,747 4.186,748 4.674,749 5.156,750 5.488,751 5.785,752 6.162,753 6.49,754 6.831,755 6.995,756 0.889,757 41,758 11.217,759 4.849,760 7.656,761 21.961,762 18.774,763 2.156,764 64.667,767 1,768 341.362,769 87.536,770 72.404,772 77.562,774 87.536,775 418.924,776 72.404,777 8.825,778 40.393,779 98.599,780 71.252,781 18.433,783 341.362,785 341.362,786 159.939,787 77.562,790 296.605,791 81.963,792 42.683,793 72.249,794 48.981,795 36.382,797 341.362,798 149.966,799 87.536,801 341.362,802 40.806,803 46.73,804 36.022,805 113.945,806 341.362,807 149.966,808 87.536,810 0.576,811 0.344,812 0.181,813 0.078,814 21,815 9,816 0.123,817 8,819 1,820 4.328,821 255.376,823 21,824 139.207,826 21.328,827 9.932,828 5.24,830 149.966,831 7.935,832 8.705,834 5.449,836 3.247,838 78.705,839 578.864,840 39.5,842 12.48,845 -0.152,846 61.76,847 70.434,848 0.25,849 0.578,850 0.783,851 0.884,852 0.884,853 0.884,854 4.947,855 1.327,856 5.866,857 4.265,858 4.511,859 4.871,860 2.135,861 6.642,862 4.466,863 6.092,864 1.154,865 7.405,866 3.389,867 4.007,868 4.511,869 1.593,870 7.476,871 3.938,872 7.363,873 1.132,874 9.043,875 2.718,876 6.075,877 6.878,878 3.045,879 10.537,880 5.985,881 8.669,882 1,883 10.739,884 2.544,885 6.447,886 7.394,887 3.114,888 12.207,889 6.328,890 10.009,891 0.784,892 12.473,893 2.275,894 7.915,895 9.202,896 4.214,897 14.746,898 7.775,899 11.37,900 0.702,901 14.232,902 1.902,903 8.665,904 10.11,905 4.563,906 16.741,907 8.493,908 12.748,909 0.618,910 16.009,911 1.698,912 9.9,913 11.691,914 5.473,915 19.102,916 9.706,917 3.018,918 0.414,919 17.798,920 1.372,921 10.823,922 12.8,923 5.966,924 21.236,925 10.597,926 2.937,927 9.77,928 19.597,929 0.982,930 11.963,931 14.275,932 6.771,933 23.53,934 11.714,935 2.749,936 9.291,937 21.404,938 3.985,939 12.967,940 15.494,941 7.343,942 25.726,943 12.686,944 2.552,945 8.84,946 23.216,947 3.534,948 14.068,949 16.917,950 8.089,951 27.995,952 13.763,953 2.292,954 7.137,955 25.033,956 3.204,957 15.111,958 18.2,959 8.704,960 30.22,961 14.775,962 1.97,963 6.656,964 26.854,965 2.92,966 16.199,967 19.597,968 9.418,969 32.48,970 15.836,971 1.6,972 5.426,973 28.678,974 2.527,975 17.261,976 20.916,977 10.058,978 34.72,979 16.869,980 12966,981 19115,982 22.364,983 39.046,984 49.107,985 49.544,986 50.093,987 48.991,988 48.946,989 58.034,990 5.931,991 137.206,992 47.836,993 5.292,994 5.782,995 6.047,996 5.036,997 5.018,998 6.985,999 3.426,1000 16.489,1001 4.942,1002 12.65,1003 1.488,1004 1.501,1005 1.518,1006 1.485,1007 1.483,1008 1.759,1009 0.18,1010 4.158,1011 1.45,1012 4.024,1013 4.06,1014 3.973,1015 3.923,1016 7.428,1017 3.926,1018 3.895,1019 3.946,1020 3.797,1021 3.797,1022 6.449,1023 3.781,1024 3.866,1025 3.914,1026 3.759,1027 3.69,1028 5.287,1029 3.703,1030 3.737,1031 3.781,1032 3.66,1033 3.525,1034 4.696,1035 3.553,1036 3.531,1037 3.594,1038 3.394,1039 3.374,1040 4.303,1041 3.368,1042 3.273,1043 3.343,1044 3.132,1045 3.075,1046 4.273,1047 3.071,1048 3.255,1049 3.319,1050 3.08,1051 3.022,1052 4.146,1053 3.043,1054 2.918,1055 2.99,1056 2.744,1057 2.742,1058 3.848,1059 2.734,1060 0.131,1061 0.115,1062 0.194,1063 0.121,1064 0.091,1065 4.322,1066 0.121,1067 3.782,1068 0.059,1069 6.417,1070 0.296,1071 3.994,1072 0.089,1073 3.018,1074 3.985,1075 1.957,1076 9.77,1077 2.942,1078 1.944,1079 1.917,1080 2.057,1081 2.036,1082 1.372,1083 2.044,1084 1.748,1085 1.696,1086 1.97,1087 1.902,1088 1.274,1089 1.925,1090 1.641,1091 1.598,1092 1.86,1093 1.841,1094 1.211,1095 1.831,1096 1.577,1097 1.507,1098 1.841,1099 1.751,1100 1.16,1101 1.793,1102 1.55,1103 1.491,1104 1.808,1105 1.744,1106 0.995,1107 1.768,1108 1.462,1109 1.387,1110 1.689,1111 1.706,1112 0.922,1113 1.718,1114 1.359,1115 1.306,1116 1.603,1117 1.589,1118 0.895,1119 1.584,1120 1.15,1121 1.093,1122 1.367,1123 1.412,1124 0.517,1125 1.393,1126 4.205,1128 5.509,1129 3.434,1130 6.986,1131 5.638,1132 8.538,1133 7.573,1134 10.131,1135 2.035,1139 9.934,1140 9.368,1141 6.11,1143 -0.443,1148 36.605,1149 92.363,1150 213.412,1151 289.102,1152 326.405,1153 326.405,1154 326.405,1155 62.843,1156 7.555,1157 100.28,1158 100.28,1159 21,1160 12.471,1161 3.7,1162 2.907,1163 47.361,1164 148,1165 132,1166 0.157,1167 223.422,1168 389.75,1169 536.91,1170 21541,1172 20.924,1173 0.697,1174 0.588,1175 20.924,1176 17.641,1177 14.635,1178 0.443,1179 0.342,1180 11.159,1181 14.125,1182 10.966,1183 9.071,1184 14.635,1185 11.285,1186 12.795,1187 0.284,1188 0.191,1189 12.795,1190 8.58,1191 11.047,1192 0.187,1193 0.11,1194 11.047,1195 6.477,1196 9.026,1197 0.124,1198 0.063,1199 9.026,1200 4.604,1201 5.906,1202 0.079,1203 0.033,1204 5.906,1205 2.462,1206 0.255,1207 91.6,1208 0.211,1209 29.089,1210 0.408,1211 156,1212 411.577,1213 171.576,1214 392.573,1215 536.76,1216 368,1217 182,1218 400.129,1219 198.355,1220 396.647,1221 580.8,1222 376,1223 7.252} {0 CHEMBL1241832,1 1.51,2 13.355,3 4.915,4 24.158,5 120.668,6 8.295,7 0.771,8 4.017,9 4.121,10 3.679,11 3.652,12 5.247,13 3.642,14 4.461,15 4.579,16 4.029,17 4.039,18 5.663,19 4.013,20 4.713,21 4.876,22 4.09,23 4.145,24 5.925,25 4.094,26 4.751,27 4.941,28 3.992,29 4.059,30 5.942,31 3.994,32 4.694,33 4.924,34 3.83,35 3.892,36 5.813,37 3.825,38 4.496,39 4.708,40 3.732,41 3.706,42 5.687,43 3.677,44 4.415,45 4.608,46 3.732,47 3.645,48 5.771,49 3.637,50 4.349,51 4.538,52 3.689,53 3.596,54 5.68,55 3.593,56 0.1,57 0.693,58 7.802,59 3.975,60 11.167,61 4.58,62 0.103,63 1.059,64 12.59,65 6.402,66 15.393,67 7.667,68 0.255,69 1.339,70 19.426,71 8.834,72 39.633,73 10.931,74 0.325,75 1.416,76 21.898,77 9.147,78 44.353,79 11.446,80 0.333,81 1.361,82 23.306,83 8.574,84 47.236,85 10.964,86 0.244,87 1.115,88 18.526,89 6.561,90 38.192,91 7.882,92 0.332,93 1.014,94 16.697,95 5.837,96 57.367,97 6.714,98 0.268,99 0.937,100 15.592,101 5.569,102 44.519,103 6.364,104 5,105 49,106 0.248,107 0.506,108 0.648,109 0.786,110 0.849,111 0.898,112 3.471,113 0.838,114 -5.18,115 -5.07,116 -4.75,117 51,130 14,131 6,132 1,134 1,138 1,139 1,142 1,150 2,151 20,153 2,154 1,156 4,158 27,160 2,161 3,163 1,165 6,167 24,169 1,170 6,172 2,173 1,174 5,176 12,179 7,181 1,182 1,183 8,185 5,188 8,191 8,193 3,196 10,197 1,199 5,200 2,203 11,204 1,205 4,206 4,209 8,212 1,213 5,214 6,216 1608,217 21.43,218 21.43,219 21.43,220 21.43,221 21.43,222 18.019,223 6.912,224 12.647,225 21.576,226 17.285,227 17.285,228 17.285,229 17.285,230 17.285,231 12.182,232 5.217,233 5.985,234 17.497,235 4.105,236 2.529,237 1.665,238 0.822,239 0.439,240 0.138,241 4.184,244 1,245 1,246 929,247 3.24,250 81.99,251 342.984,255 290.861,256 2.127,257 24.691,259 1,260 1,261 1,262 0.4,264 1,265 1,266 0.77,267 66,268 414,269 4.571,270 3.557,271 6.669,272 4.112,273 3.12,274 4.508,275 0.98,276 10.716,277 3.094,278 4.464,279 3.185,280 6.324,281 4.027,282 3.036,283 4.367,285 9.689,286 3.007,287 4.253,288 2.993,289 6.109,290 3.823,291 2.829,292 3.916,294 8.932,295 2.805,296 3.849,297 2.671,298 5.855,299 3.489,300 2.494,301 3.268,303 8.012,304 2.476,305 3.753,306 2.465,307 5.61,308 3.307,309 2.328,310 3.221,312 7.198,313 2.275,314 3.273,315 2.054,316 4.66,317 2.793,318 1.817,319 2.586,321 4.809,322 1.771,323 3.189,324 1.981,325 4.556,326 2.711,327 1.719,328 2.46,330 4.683,331 1.699,332 3.118,333 1.635,334 4.39,335 2.618,336 1.618,337 2.427,339 4.309,340 1.618,341 2.939,342 1.618,343 3.996,344 2.435,345 1.448,346 2.108,347 3.361,348 1.428,349 2.893,350 1.448,351 3.756,352 2.405,353 1.41,354 2.073,355 3.05,356 1.401,357 2.817,358 1.434,359 3.61,360 2.248,361 1.268,362 1.861,363 2.92,364 1.239,365 2.456,366 1.153,367 3.598,368 1.956,369 0.974,370 1.389,371 2.543,372 0.952,373 2.258,374 0.881,375 3.282,376 1.753,377 0.758,378 1.111,379 1.763,380 0.752,381 2.17,382 0.717,383 3.187,384 1.634,385 0.64,386 0.967,387 1.528,388 0.632,389 2.118,390 0.618,391 3.151,392 1.613,393 0.618,394 0.927,395 1.487,396 0.615,397 14.767,398 0.476,399 0.657,400 0.021,401 46.5,402 1.5,403 27.5,404 0.887,405 19,406 0.613,407 20.096,408 0.648,409 30.233,410 0.617,411 35.461,412 1.144,413 9.554,414 0.308,415 5.632,416 0.182,417 0.045,419 0.339,420 0.735,421 0.788,422 0.709,423 0.757,424 0.728,425 0.734,426 0.65,427 1.091,428 0.824,429 1.003,430 0.619,431 0.95,432 0.767,433 1.041,434 0.942,435 1.064,436 0.794,437 1.042,438 0.891,439 1.152,440 1.063,441 1.16,442 0.935,443 1.148,444 1.07,445 1.086,446 1.018,447 0.989,448 1.003,449 0.987,450 1.472,451 1.141,452 1.019,453 0.941,454 1.283,455 0.902,456 1.568,457 1.068,458 1.002,459 0.877,460 1.528,461 0.842,462 1.676,463 1.044,464 0.959,465 0.855,466 1.849,467 0.803,468 5,469 0.143,470 4,471 1.688,472 1.802,473 0.743,474 0.481,475 0.431,476 0.267,477 0.175,478 15558,479 40643,480 2.18,481 36.7,483 14,485 1,486 3,490 1.731,491 2.09,492 3.672,493 0.812,497 73.966,498 1.51,499 3.086,500 3.95,501 4.793,502 5.176,503 5.477,504 3.063,505 4.761,506 4.931,507 3.876,508 1802.13,509 8.576,510 26835.7,511 1,513 275.121,514 1.215,515 4.907,516 0.143,517 0.006,518 0.082,519 0.034,520 0.042,521 0.021,522 0.015,523 0.013,524 0.008,525 0.006,526 0.369,527 0.17,528 0.88,529 0.415,530 164.032,531 0.018,532 0.249,533 0.021,534 0.135,535 -0.1,536 0.085,537 0.029,538 -0.084,539 -0.062,540 -0.091,541 -0.012,542 -0.091,543 0.105,544 -0.067,545 -0.047,546 -0.105,547 0.079,548 -0.105,549 0.108,550 -0.156,551 -0.091,552 -0.197,553 0.014,554 -0.187,555 0.001,556 -0.058,557 0.049,558 -0.013,559 -0.025,560 0.017,561 -0.173,562 -0.082,563 0.035,564 0.005,565 -0.079,566 0.049,567 -0.038,568 -0.004,569 0.042,570 0.055,571 0.115,572 0.07,573 -0.12,574 0.002,575 0.082,576 0.085,577 -0.054,578 0.112,579 2.112,580 5.471,581 0.806,582 31.738,583 1.005,584 1.109,585 3.952,586 15.622,587 0.72,588 3.584,589 3.912,590 4.22,591 4.477,592 4.7,593 4.745,594 4.836,595 4.942,596 5.05,597 5.011,598 7.904,599 0.698,600 406.47,601 3.584,602 5.13,603 5.994,604 6.872,605 7.749,606 8.63,607 9.51,608 10.392,609 11.274,610 12.157,611 8.2,617 1,618 1,619 1,620 1,622 4,623 14,624 1,625 1,628 5,630 27,635 1,638 49,639 29,640 4,641 35,642 53,643 25,644 23,645 7,646 13,647 2,648 5,649 7,651 1,659 25,662 2,664 1,665 1,666 1,667 1,670 18,671 5,672 3,673 6,677 4,681 0.6,682 2,687 1,692 1,693 4,697 2,710 3,715 31,717 1,719 1,731 4.1,733 1,734 1,737 14.833,738 8.767,739 6.75,740 2.781,741 6.13,742 1.744,743 1.037,744 4.948,745 14.368,746 3.942,747 4.608,748 5.281,749 5.92,750 6.494,751 6.835,752 7.254,753 7.69,754 8.109,755 8.218,756 0.889,757 50,758 11.407,759 4.958,760 7.78,761 21.558,762 17.895,763 2.28,764 70.667,767 1,768 176.567,769 168.596,770 67.877,772 67.828,774 168.596,775 244.395,776 67.877,778 17.888,779 132.667,780 110.014,781 52.746,782 2.757,783 164.795,785 176.567,786 236.473,787 67.828,790 176.567,791 67.828,793 53.971,794 156.792,795 25.71,797 176.567,798 135.706,799 168.596,801 176.567,802 26.881,803 141.715,804 34.551,805 101.154,806 176.567,807 135.706,808 168.596,810 0.582,811 0.35,812 0.191,813 0.103,814 25,815 10,816 0.075,817 4,818 2,819 1.16,820 4.405,821 280.852,822 0.16,823 25,824 153.58,826 19.042,827 8.056,828 3.791,829 4.078,830 119.043,831 26.919,832 4.105,833 2.906,836 2.538,838 77.235,839 480.868,840 50.5,842 12.471,843 1.437,844 4.013,845 -0.445,846 49.247,847 54.318,848 0.269,849 0.55,850 0.704,851 0.854,852 0.922,853 0.975,854 5.158,855 1.618,856 5.969,857 4.683,858 4.595,859 5.296,860 1.072,861 6.781,862 4.572,863 6.387,864 1.448,865 7.527,866 4.309,867 4.111,868 5.085,870 7.678,871 4.079,872 7.703,873 1.41,874 9.187,875 3.361,876 6.188,877 7.596,878 1.045,879 10.786,880 6.147,881 9.059,882 1.268,883 10.908,884 3.05,885 6.567,886 8.268,888 12.524,889 6.516,890 10.449,891 0.974,892 12.669,893 2.92,894 8.071,895 10.191,896 1.019,897 15.125,898 8.013,899 11.862,900 0.758,901 14.455,902 2.543,903 8.844,904 11.283,906 17.197,907 8.776,908 13.293,909 0.64,910 16.26,911 1.763,912 10.116,913 12.958,914 0.993,915 19.625,916 10.041,917 3.12,918 0.618,919 18.077,920 1.528,921 11.072,922 14.255,924 21.842,925 10.988,926 3.036,927 10.716,928 19.905,929 1.487,930 12.248,931 15.821,932 0.967,933 24.21,934 12.156,935 2.829,936 9.689,937 21.739,938 4.508,939 13.288,940 17.217,942 26.492,943 13.188,944 2.494,945 8.932,946 23.58,947 4.367,948 14.425,949 18.735,950 0.942,951 28.842,952 14.317,953 2.328,954 8.012,955 25.425,956 3.916,957 15.506,958 20.179,960 31.157,961 15.388,962 1.817,963 7.198,964 27.275,965 3.268,966 16.629,967 21.679,968 0.917,969 33.503,970 16.503,971 1.719,972 4.809,973 29.128,974 3.221,975 17.728,976 23.145,978 35.836,979 17.594,980 14160,981 23063,982 24.156,983 35.262,984 53.054,985 54.075,986 53.504,987 52.588,988 52.568,989 74.879,990 1.96,991 150.953,992 51.929,993 5.363,994 5.557,995 6.356,996 5.141,997 5.12,998 7.508,999 1.96,1000 17.858,1001 5.094,1002 10.251,1003 1.516,1004 1.545,1005 1.529,1006 1.503,1007 1.502,1008 2.139,1009 0.056,1010 4.313,1011 1.484,1012 4.124,1013 4.15,1014 4.083,1015 4.074,1016 7.43,1017 4.072,1018 4.076,1019 4.095,1020 4.037,1021 4.036,1022 6.469,1023 4.034,1024 3.881,1025 3.928,1026 3.844,1027 3.722,1028 5.016,1029 3.746,1030 3.545,1031 3.595,1032 3.479,1033 3.42,1034 4.877,1035 3.423,1036 3.448,1037 3.484,1038 3.373,1039 3.34,1040 4.838,1041 3.341,1042 3.333,1043 3.398,1044 3.245,1045 3.14,1046 4.628,1047 3.156,1048 3.109,1049 3.146,1050 3.032,1051 2.973,1052 4.275,1053 2.974,1054 3.027,1055 3.08,1056 2.913,1057 2.882,1058 4.181,1059 2.899,1060 0.131,1061 0.102,1062 0.191,1063 0.117,1064 0.089,1065 4.571,1066 0.129,1067 3.557,1068 0.028,1069 6.669,1070 0.306,1071 4.112,1072 0.088,1073 3.12,1074 4.508,1075 0.98,1076 10.716,1077 3.094,1078 2.078,1079 2.06,1080 2.159,1081 2.13,1082 1.294,1083 2.141,1084 2.073,1085 2.058,1086 2.147,1087 2.129,1088 1.291,1089 2.136,1090 1.618,1091 1.591,1092 1.731,1093 1.787,1094 0.832,1095 1.747,1096 1.52,1097 1.481,1098 1.658,1099 1.728,1100 0.691,1101 1.709,1102 1.453,1103 1.419,1104 1.564,1105 1.617,1106 0.58,1107 1.615,1108 1.232,1109 1.18,1110 1.411,1111 1.458,1112 0.437,1113 1.44,1114 1.191,1115 1.127,1116 1.352,1117 1.396,1118 0.369,1119 1.404,1120 1.03,1121 0.976,1122 1.252,1123 1.185,1124 0.258,1125 1.212,1126 4.263,1128 5.587,1129 2.398,1130 7.114,1131 4.595,1132 8.733,1133 6.605,1134 10.399,1139 10.174,1141 2.471,1148 34.203,1149 73.966,1150 151.214,1151 193.553,1152 234.856,1153 253.611,1154 268.366,1155 47.296,1156 8.237,1157 90.37,1158 90.37,1159 29,1160 12.691,1161 4.907,1162 4.044,1163 43.964,1164 150,1165 129,1166 0.14,1167 207.798,1168 349.38,1169 498.787,1170 54428,1172 21.209,1173 0.684,1174 0.529,1175 21.209,1176 16.41,1177 15.187,1178 0.434,1179 0.279,1180 9.685,1181 14.784,1182 9.496,1183 7.88,1184 15.187,1185 9.776,1186 13.546,1187 0.276,1188 0.146,1189 13.546,1190 7.147,1191 12.004,1192 0.179,1193 0.077,1194 12.004,1195 5.178,1196 10.017,1197 0.115,1198 0.041,1199 10.017,1200 3.575,1201 8.16,1202 0.075,1203 0.022,1204 8.16,1205 2.417,1206 0.227,1207 94.137,1208 0.203,1209 29.661,1210 0.365,1211 168,1212 469.841,1213 178.868,1214 468.579,1215 650.99,1216 438,1217 200,1218 492.217,1219 211.619,1220 503.33,1221 732.16,1222 475,1223 5.975} {0 CHEMBL1289102,1 1.626,2 13.724,3 3.297,4 10.87,5 109.275,6 7.735,7 0.548,8 4.037,9 4.147,10 3.627,11 3.513,12 5.243,13 3.522,14 4.516,15 4.676,16 3.927,17 3.831,18 5.661,19 3.836,20 4.608,21 4.752,22 4.015,23 3.935,24 5.853,25 3.925,26 4.735,27 4.913,28 3.94,29 3.959,30 5.911,31 3.917,32 4.822,33 5.068,34 3.786,35 3.921,36 5.822,37 3.83,38 4.662,39 4.891,40 3.727,41 3.768,42 5.767,43 3.699,44 4.559,45 4.77,46 3.694,47 3.65,48 5.747,49 3.622,50 4.538,51 4.78,52 3.564,53 3.597,54 5.67,55 3.546,56 0.122,57 0.736,58 9.857,59 4.533,60 9.689,61 5.502,62 0.403,63 1.067,64 19.036,65 6.754,66 31.153,67 8.519,68 0.479,69 1.211,70 19.66,71 7.406,72 38.945,73 9.412,74 0.471,75 1.34,76 23.45,77 8.141,78 45.191,79 10.704,80 0.558,81 1.347,82 28.975,83 9.258,84 47.941,85 13.215,86 0.507,87 1.126,88 24.357,89 8.01,90 48.562,91 11.247,92 0.528,93 1.037,94 21.721,95 6.269,96 50.109,97 8.596,98 0.547,99 1.029,100 21.873,101 5.754,102 54.949,103 8.411,104 35,105 42,106 0.272,107 0.589,108 0.691,109 0.772,110 0.805,111 0.839,112 3.407,113 0.854,114 -3.11,115 -3.1,116 -2.98,117 41.2,118 1,122 3,130 8,131 2,132 3,134 1,138 1,141 1,142 1,150 2,151 7,153 8,154 1,156 1,158 8,160 2,161 11,163 1,164 1,165 4,167 7,169 1,170 7,172 2,174 4,176 3,178 2,179 4,183 4,187 2,188 7,189 1,191 4,193 2,196 7,197 2,199 4,200 2,202 1,203 4,205 1,206 3,208 2,209 2,211 2,214 6,216 1413,217 19.765,218 19.765,219 19.765,220 19.765,221 19.765,222 17.421,223 18.309,224 11.474,225 20.415,226 15.046,227 15.046,228 15.046,229 15.046,230 15.046,231 11.36,232 19.654,233 5.141,234 15.753,235 4.046,236 2.143,237 1.535,238 1.05,239 0.849,240 0.647,241 4.087,244 1,245 1,246 836,247 3.808,250 93.388,251 221.477,256 2.166,257 26.336,259 1,260 1,261 1,262 0.6,264 1,265 1,266 0.8,267 64,268 398,269 4.362,270 3.561,271 6.256,272 3.972,273 2.99,274 4.024,275 0.98,276 9.436,277 2.934,278 4.328,279 3.235,280 6.236,281 3.92,282 2.954,283 3.979,284 0.86,285 9.344,286 2.857,287 4.031,288 2.965,289 5.925,290 3.651,291 2.668,292 3.559,293 0.86,294 8.241,295 2.623,296 3.904,297 2.93,298 5.872,299 3.503,300 2.547,301 3.294,302 0.86,303 8.046,304 2.417,305 3.68,306 2.705,307 5.294,308 3.299,309 2.347,310 3.016,311 0.782,312 6.75,313 2.223,314 3.148,315 2.189,316 4.521,317 2.697,318 1.724,319 2.352,321 4.625,322 1.668,323 2.934,324 2.027,325 4.4,326 2.522,327 1.611,328 2.059,330 4.188,331 1.461,332 2.919,333 1.788,334 4.185,335 2.394,336 1.424,337 2.027,339 3.733,340 1.375,341 2.5,342 1.336,343 3.853,344 2,345 1.033,346 1.5,347 2.759,348 1,349 2.464,350 1.077,351 3.414,352 1.99,353 1,354 1.4,355 2.275,356 0.981,357 2.164,358 1,359 3.271,360 1.677,361 0.705,362 1,363 1.661,364 0.681,365 1.897,366 0.965,367 3.048,368 1.564,369 0.648,370 0.789,371 1.211,372 0.588,373 1.639,374 0.936,375 2.855,376 1.348,377 0.467,378 0.533,379 0.734,380 0.406,381 1.528,382 0.855,383 2.735,384 1.276,385 0.353,386 0.392,387 0.558,388 0.308,389 1.412,390 0.676,391 2.51,392 1.159,393 0.213,394 0.248,395 0.374,396 0.209,397 13.433,398 0.463,399 0.622,400 0.021,401 38.75,402 1.336,403 20.5,404 0.707,405 18.25,406 0.629,407 21.604,408 0.745,409 31.567,410 0.619,411 30.769,412 1.061,413 8.383,414 0.289,415 5.666,416 0.195,417 0.174,419 0.335,420 0.803,421 1.165,422 0.752,423 1.14,424 0.665,425 0.968,426 1.249,427 1.021,428 0.813,429 0.8,430 0.834,431 0.733,432 0.967,433 1.207,434 0.971,435 1.113,436 0.911,437 1.055,438 1.094,439 1.256,440 1.182,441 1.226,442 1.163,443 1.218,444 0.881,445 0.997,446 0.988,447 0.977,448 0.812,449 0.996,450 0.864,451 1.082,452 0.901,453 1.029,454 1.22,455 0.99,456 1.301,457 1.113,458 1.061,459 0.943,460 1.736,461 0.944,462 1.151,463 0.956,464 1.097,465 0.825,466 1.489,467 0.894,468 6,469 0.111,470 4,471 1.438,472 1.576,473 1.205,474 0.513,475 0.293,476 0.336,477 0.242,478 11578,479 34317,480 2.013,481 43.1,483 17,486 2,487 3,490 1.714,491 1.871,492 3.731,493 0.262,494 1,495 1,497 82.948,498 1.626,499 3.53,500 4.137,501 4.622,502 4.824,503 5.025,504 3.254,505 4.582,506 4.829,507 3.887,508 1578.21,509 8.38,510 22567.6,511 1,512 1,513 289.294,514 1.453,515 4.78,516 0.194,517 0.005,518 0.095,519 0.033,520 0.04,521 0.037,522 0.017,523 0.01,524 0.013,525 0.01,526 0.452,527 0.33,528 1,529 0.943,530 150.926,531 0.012,532 0.027,533 0.055,534 -0.076,535 -0.053,536 -0.016,537 -0.141,538 0.035,539 0.121,540 0.208,541 -0.025,542 0.215,543 0.049,544 -0.09,545 -0.081,546 -0.106,547 0.08,548 -0.123,549 -0.124,550 -0.167,551 -0.261,552 -0.256,553 -0.129,554 -0.286,555 -0.035,556 -0.031,557 0.006,558 -0.015,559 -0.017,560 0.001,561 0.076,562 -0.133,563 0.096,564 -0.052,565 0.069,566 0.006,567 -0.128,568 -0.106,569 -0.048,570 -0.021,571 -0.132,572 -0.02,573 -0.125,574 0.077,575 -0.077,576 0.062,577 -0.138,578 0.029,579 2.058,580 5.395,581 0.586,582 31.42,583 1.013,584 1.129,585 1.875,586 3.516,587 0.661,588 3.466,589 3.761,590 4.025,591 4.19,592 4.357,593 4.431,594 4.419,595 4.357,596 4.477,597 4.5,598 7.807,599 0.641,600 394.47,601 3.466,602 4.99,603 5.832,604 6.688,605 7.545,606 8.405,607 9.265,608 10.127,609 10.989,610 11.852,611 7.8,617 1,618 1,619 1,620 1,623 8,624 1,625 1,628 7,630 17,636 3,638 51,639 19,640 2,641 31,642 53,643 21,644 15,645 5,646 7,647 2,648 3,649 3,651 1,652 1,659 17,660 4,662 2,664 1,666 1,667 2,669 1,670 22,671 7,672 2,673 8,677 4,681 1,682 4,687 1,692 1,693 2,710 3,712 4,715 29,719 1,720 3,731 7.8,734 1,736 3,737 15.5,738 10.483,739 6.694,740 2.658,741 3.578,742 1.493,743 0.952,744 6.777,745 10.841,746 3.75,747 4.334,748 4.915,749 5.431,750 5.894,751 6.176,752 6.432,753 6.635,754 6.999,755 7.236,756 1,757 44,758 10.623,759 4.319,760 7.828,761 19.858,762 15.198,763 2.328,764 67.5,767 1,768 235.422,769 152.361,770 67.877,772 58.145,774 152.361,775 293.567,776 67.877,777 41.474,778 17.888,779 75.81,780 49.269,781 91.184,782 2.757,783 235.422,785 235.422,786 220.238,787 58.145,790 235.422,791 58.145,793 62.796,794 140.779,795 16.663,797 235.422,798 126.022,799 152.361,801 235.422,802 35.076,803 117.284,804 34.551,805 91.471,806 235.422,807 126.022,808 152.361,810 0.572,811 0.351,812 0.175,813 0.091,814 18,815 9,816 0.132,817 7,819 1,820 4.1,821 237.707,823 17,824 136.881,826 20.74,827 9.476,828 4.897,830 109.359,831 14.489,832 4.185,833 2.73,836 4.582,838 34.551,839 513.805,840 41.5,842 12.395,844 4.163,845 0.228,846 51.669,847 57.568,848 0.287,849 0.622,850 0.729,851 0.815,852 0.85,853 0.886,854 4.965,855 1.424,856 5.808,857 4.188,858 4.443,859 5.021,860 2.15,861 6.592,862 4.367,863 6.172,864 1.033,865 7.361,866 3.733,867 4.007,868 4.783,870 7.466,871 3.914,872 7.478,873 1,874 9.009,875 2.759,876 6.023,877 7.202,878 1.928,879 10.491,880 5.893,881 8.82,882 0.705,883 10.712,884 2.275,885 6.415,886 7.782,888 12.145,889 6.26,890 10.191,891 0.648,892 12.448,893 1.661,894 7.867,895 9.64,896 1.733,897 14.669,898 7.69,899 11.581,900 0.467,901 14.206,902 1.211,903 8.618,904 10.592,906 16.633,907 8.412,908 12.984,909 0.353,910 15.978,911 0.734,912 9.849,913 12.209,914 1.563,915 18.976,916 9.625,917 2.99,918 0.213,919 17.76,920 0.558,921 10.767,922 13.353,924 21.077,925 10.515,926 2.954,927 9.436,928 19.55,929 0.374,930 11.904,931 14.854,932 1.418,933 23.349,934 11.635,935 2.668,936 9.344,937 21.345,938 4.024,939 12.902,940 16.1,942 25.514,943 12.606,944 2.547,945 8.241,946 23.144,947 3.979,948 14.001,949 17.543,950 1.295,951 27.758,952 13.687,953 2.347,954 8.046,955 24.947,956 3.559,957 15.039,958 18.847,960 29.956,961 14.698,962 1.724,963 6.75,964 26.753,965 3.294,966 16.123,967 20.26,968 1.192,969 32.189,970 15.763,971 1.611,972 4.625,973 28.561,974 3.016,975 17.181,976 21.597,978 34.403,979 16.797,980 11352,981 19695,982 20.285,983 33.693,984 45.659,985 47.26,986 47.858,987 45.301,988 45.368,989 60.344,990 8.684,991 127.871,992 43.46,993 5.153,994 5.561,995 5.81,996 5.004,997 4.99,998 7.024,999 1.96,1000 15.838,1001 4.934,1002 16.2,1003 1.473,1004 1.525,1005 1.544,1006 1.461,1007 1.463,1008 1.947,1009 0.28,1010 4.125,1011 1.402,1012 4.027,1013 4.065,1014 3.988,1015 3.917,1016 7.43,1017 3.927,1018 3.937,1019 3.956,1020 3.894,1021 3.855,1022 5.016,1023 3.861,1024 3.777,1025 3.813,1026 3.726,1027 3.615,1028 4.944,1029 3.64,1030 3.51,1031 3.57,1032 3.437,1033 3.293,1034 4.809,1035 3.315,1036 3.27,1037 3.323,1038 3.163,1039 3.007,1040 4.659,1041 3.035,1042 3.247,1043 3.314,1044 3.051,1045 2.954,1046 4.495,1047 2.962,1048 3.192,1049 3.27,1050 3.014,1051 2.913,1052 4.323,1053 2.915,1054 3.113,1055 3.189,1056 2.921,1057 2.834,1058 4.204,1059 2.852,1060 0.141,1061 0.115,1062 0.202,1063 0.128,1064 0.096,1065 4.362,1066 0.13,1067 3.561,1068 0.032,1069 6.256,1070 0.304,1071 3.972,1072 0.095,1073 2.99,1074 4.024,1075 0.98,1076 9.436,1077 2.934,1078 1.906,1079 1.888,1080 2.001,1081 2.015,1082 1.109,1083 2.007,1084 1.901,1085 1.882,1086 1.994,1087 1.989,1088 1.1,1089 1.993,1090 1.57,1091 1.535,1092 1.697,1093 1.821,1094 0.733,1095 1.774,1096 1.408,1097 1.356,1098 1.626,1099 1.642,1100 0.694,1101 1.638,1102 1.282,1103 1.226,1104 1.576,1105 1.568,1106 0.575,1107 1.562,1108 1.192,1109 1.116,1110 1.568,1111 1.523,1112 0.571,1113 1.539,1114 1.154,1115 1.067,1116 1.538,1117 1.443,1118 0.562,1119 1.475,1120 1.113,1121 1.024,1122 1.323,1123 1.399,1124 0.297,1125 1.397,1126 4.143,1128 5.442,1129 2.398,1130 6.936,1131 4.595,1132 8.511,1133 6.605,1134 10.126,1135 6.533,1141 2.532,1142 15.664,1148 32.686,1149 82.948,1150 180.009,1151 210.99,1152 235.745,1153 246.009,1154 256.274,1155 51.502,1156 7.263,1157 97.83,1158 97.83,1159 17,1160 12.4,1161 4.322,1162 3.524,1163 52.858,1164 137,1165 141,1166 0.186,1167 203.918,1168 354.84,1169 489.319,1170 14648,1172 20.803,1173 0.717,1174 0.574,1175 20.803,1176 16.646,1177 14.05,1178 0.453,1179 0.285,1180 8.622,1181 13.255,1182 8.292,1183 6.998,1184 14.05,1185 8.822,1186 11.964,1187 0.285,1188 0.145,1189 11.964,1190 6.103,1191 10.565,1192 0.192,1193 0.079,1194 10.565,1195 4.335,1196 7.98,1197 0.123,1198 0.041,1199 7.98,1200 2.668,1201 6.034,1202 0.078,1203 0.022,1204 6.034,1205 1.659,1206 0.303,1207 90.037,1208 0.222,1209 28.173,1210 0.484,1211 146,1212 504.898,1213 163.733,1214 474.937,1215 644.1,1216 446,1217 170,1218 469.175,1219 188.707,1220 475.749,1221 682.48,1222 441,1223 5.876} {0 CHEMBL1774553,1 1.27,2 14.304,3 4.978,4 24.784,5 96.865,6 5.393,8 4.101,9 4.269,10 3.338,11 3.569,12 4.958,13 3.473,14 4.692,15 4.935,16 3.52,17 3.932,18 5.447,19 3.76,20 5.018,21 5.327,22 3.622,23 4.034,24 5.753,25 3.843,26 5.033,27 5.343,28 3.465,29 3.993,30 5.932,31 3.778,32 4.964,33 5.295,34 3.267,35 3.921,36 5.586,37 3.677,38 4.856,39 5.182,40 3.205,41 3.85,42 5.458,43 3.607,44 4.81,45 5.14,46 3.149,47 3.792,48 5.417,49 3.548,50 4.74,51 5.069,52 3.089,53 3.719,54 5.361,55 3.479,56 0.086,57 0.81,58 15.214,59 5.997,60 9.549,61 8.885,62 0.221,63 1.191,64 25.005,65 9.656,66 25.193,67 14.325,68 0.252,69 1.377,70 32.337,71 10.742,72 27.236,73 16.903,74 0.499,75 1.321,76 32.99,77 10.568,78 80.884,79 16.424,80 0.262,81 1.199,82 29.151,83 10.261,84 31.13,85 15.707,86 0.205,87 1.114,88 26.219,89 9.519,90 23.895,91 14.517,92 0.2,93 1.053,94 24.978,95 8.964,96 23.571,97 13.724,98 0.191,99 0.98,100 23.337,101 8.277,102 22.743,103 12.72,104 35,105 28,106 0.213,107 0.364,108 0.492,109 0.619,110 0.695,111 0.763,112 3.185,113 1.273,114 -5.41,115 -5.29,116 -4.94,117 31.7,118 1,119 14,121 1,123 1,142 2,146 1,147 1,148 1,151 15,153 1,154 1,155 1,156 4,157 1,158 11,159 1,161 2,165 7,167 10,168 2,170 1,171 1,172 2,173 2,174 1,175 1,176 10,179 1,183 1,185 11,188 1,191 3,193 10,194 1,196 1,199 3,200 9,201 1,203 1,205 3,206 8,207 1,209 1,213 3,214 7,215 1,216 868,217 15.493,218 15.493,219 15.493,220 15.493,221 15.493,222 15.208,223 9.38,224 10.006,225 15.58,226 11.282,227 11.282,228 11.282,229 11.282,230 11.282,231 10.78,232 9.936,233 4.711,234 11.39,235 4.637,236 3.742,237 2.976,238 2.22,239 1.771,240 1.363,241 3.82,244 1,245 1,246 652,247 4.796,248 56.843,256 2.465,257 19.248,259 0.75,260 0.83,261 0.83,262 0.8,263 1,264 0.83,265 0.5,266 0.79,267 48.5,268 329,269 4.747,270 4.223,271 7.959,272 4.66,273 3.663,274 3.898,275 2.022,276 14.92,277 3.651,278 3.314,279 3.04,280 5.19,281 2.996,282 2.012,283 2.418,284 1.252,285 5.154,286 1.978,287 2.958,288 1.998,289 4.538,290 2.929,291 1.933,292 1.957,293 0.167,294 3.9,295 1.917,296 2.869,297 1.963,298 3.955,299 2.792,300 1.793,301 1.855,303 3.694,304 1.789,305 2.794,306 1.86,307 3.826,308 2.591,309 1.602,310 1.774,312 3.568,313 1.586,314 2.603,315 1.684,316 3.625,317 2.457,318 1.497,319 1.593,321 3.127,322 1.428,323 2.338,324 1.437,325 3.375,326 2.297,327 1.292,328 1.324,330 2.544,331 1.295,332 2.021,333 1.129,334 3.091,335 1.98,336 0.98,337 1,339 1.875,340 0.978,341 1.666,342 0.779,343 3,344 1.622,345 0.627,346 0.638,347 1.167,348 0.622,349 1.288,350 0.442,351 2.773,352 1.245,353 0.253,354 0.257,355 0.463,356 0.25,357 1,358 0.292,359 2.427,360 0.884,361 -0.103,362 -0.104,363 -0.197,364 -0.101,365 0.904,366 -0.015,367 2.179,368 0.747,369 -0.27,370 -0.295,371 -0.567,372 -0.272,373 0.533,374 -0.322,375 2,376 0.464,377 -0.546,378 -0.577,379 -1.017,380 -0.55,381 0.412,382 -0.396,383 1.671,384 0.117,385 -0.891,386 -0.93,387 -1.708,388 -0.897,389 0.177,390 -0.664,391 1.398,393 -1,394 -1,395 -2,396 -0.9,397 11.033,398 0.48,399 0.368,400 0.016,401 15.75,402 0.685,403 3,404 0.13,405 12.75,406 0.554,407 27.598,408 1.2,409 29.167,410 0.486,411 7.771,412 0.338,413 1.79,414 0.078,415 9.342,416 0.406,417 0.148,418 0.045,419 0.091,420 0.902,421 1.471,422 1.231,423 1.398,424 0.786,425 1.345,426 0.525,427 1.397,428 1.173,429 1.433,430 0.454,431 1.374,432 0.867,433 1.17,434 0.892,435 1.066,436 0.884,437 0.992,438 1.318,439 0.893,440 1.125,441 0.977,442 1.278,443 1.029,444 1.022,445 0.886,446 0.954,447 0.921,448 0.943,449 0.935,450 0.746,451 0.967,452 0.948,453 1.002,454 0.714,455 0.996,456 0.77,457 0.948,458 0.933,459 0.976,460 0.743,461 0.971,462 0.816,463 0.949,464 0.94,465 0.972,466 0.794,467 0.968,468 3.5,469 0.07,470 1.667,471 1.514,472 0.365,473 0.247,474 0.178,475 0.135,476 0.105,477 0.085,478 6796,479 11270,480 1.893,481 61.7,482 29,483 2,486 4,488 2,490 1.643,491 1.781,492 3.768,493 1.736,497 76.198,498 1.27,499 2.165,500 2.931,501 3.687,502 4.136,503 4.544,504 3.241,505 4.002,506 4.493,507 3.993,508 1010.3,509 7.663,510 13724.8,511 1,513 354.413,514 1.306,515 4.447,516 0.152,517 0.005,518 0.067,519 0.056,520 0.017,521 0.014,522 0.01,523 0.008,524 0.007,525 0.006,526 0.343,528 0.88,529 3.695,530 115.636,531 -0.069,532 0.048,533 -0.012,534 0.033,535 -0.041,536 0.02,537 0.17,538 -0.16,539 -0.106,540 -0.202,541 0.121,542 -0.185,543 0.081,544 -0.169,545 0.098,546 -0.061,547 0.04,548 0.01,549 0.091,550 0.091,551 -0.092,552 -0.033,553 0.141,554 -0.075,555 -0.063,556 0.031,557 -0.008,558 0.036,559 -0.045,560 0.02,561 -0.018,562 -0.015,563 -0.011,564 -0.011,565 -0.019,566 -0.011,567 -0.016,568 -0.007,569 0.001,570 0.001,571 -0.02,572 0.003,573 -0.022,574 -0.008,576 0.001,577 -0.026,578 0.002,579 1.892,580 4.938,581 0.13,582 26.575,583 0.978,584 1.146,585 4.182,586 17.49,587 0.59,588 3.178,589 3.367,590 3.466,591 3.401,592 3.045,593 2.996,594 2.944,595 2.89,596 2.833,597 2.773,598 8.462,599 0.529,600 323.59,601 3.178,602 4.635,603 5.425,604 6.244,605 7.077,606 7.928,607 8.79,608 9.665,609 10.548,610 11.439,611 5,612 1,617 1,619 1,638 60,639 2,641 23,642 60,643 19,648 1,649 1,652 1,653 1,654 1,655 2,657 14,659 2,660 17,662 2,663 1,664 1,667 2,670 37,671 4,672 4,673 4,677 3,679 1,681 1,682 1,690 1,700 1,704 1,710 1,712 1,715 23,716 1,718 15,719 1,723 1,731 1.7,734 1,737 12.917,738 10.25,739 5.583,740 4.5,741 0.142,742 1.025,743 0.891,744 10.383,745 5.911,746 3.258,747 3.497,748 3.664,749 3.689,750 3.135,751 3.091,752 3.045,753 2.996,754 2.944,755 2.89,756 1,757 27,758 8.623,759 3.447,760 7.569,761 17.356,762 14.123,763 2.069,764 47.583,765 0.001,766 1,767 1,768 388.446,769 53.447,770 82.58,772 25.145,774 53.447,775 413.591,776 82.58,777 8.825,778 88.497,780 32.177,781 31.672,783 388.446,785 388.446,786 136.027,787 25.145,790 364.904,791 48.687,793 128.994,794 7.033,797 388.446,798 107.725,799 53.447,801 388.446,802 44.622,803 8.825,804 18.011,805 89.714,806 388.446,807 107.725,808 53.447,810 0.541,811 0.293,812 0.133,813 0.048,814 8,815 4,816 0.25,817 15,819 1,820 3.812,821 141.088,823 3,824 102.042,826 20.318,827 11.754,828 8.622,830 107.725,838 82.58,839 549.618,840 25,841 7.481,842 11.938,845 -0.002,846 58.654,847 68.763,848 0.215,849 0.366,850 0.496,851 0.624,852 0.7,853 0.769,854 4.454,855 0.98,856 5.38,857 2.544,858 4.043,859 4.174,860 2.348,861 6.209,862 4.025,863 5.561,864 0.627,865 6.971,866 1.875,867 3.761,868 4.007,869 1.854,870 7.883,871 3.746,872 6.848,873 0.253,874 8.74,875 1.167,876 5.72,877 5.984,878 3.293,879 10.956,880 5.695,881 8.2,882 -0.103,883 10.63,884 0.463,885 6.463,886 6.815,887 3.33,888 13.464,889 6.444,890 9.619,891 -0.27,892 12.597,893 -0.197,894 7.946,895 8.331,896 4.477,897 16.245,898 7.919,899 11.082,900 -0.546,901 14.609,902 -0.567,903 9.082,904 9.537,905 4.797,906 18.907,907 9.057,908 12.577,909 -0.891,910 16.647,911 -1.017,912 10.429,913 10.933,914 5.771,915 21.628,916 10.4,917 3.663,918 -1,919 18.7,920 -1.708,921 11.684,922 12.251,923 6.251,924 24.321,925 11.653,926 2.012,927 14.92,928 20.762,929 -2,930 12.995,931 13.619,932 7.118,933 27.028,934 12.96,935 1.933,936 5.154,937 22.829,938 3.898,939 14.282,940 14.968,941 7.691,942 29.729,943 14.244,944 1.793,945 3.9,946 24.899,947 2.418,948 15.583,949 16.329,950 8.492,951 32.433,952 15.542,953 1.602,954 3.694,955 26.97,956 1.957,957 16.879,958 17.686,959 9.119,960 35.135,961 16.834,962 1.497,963 3.568,964 29.042,965 1.855,966 18.178,967 19.047,968 9.881,969 37.838,970 18.13,971 1.292,972 3.127,973 31.116,974 1.774,975 19.475,976 20.406,977 10.539,978 40.54,979 19.424,980 7103,981 9408,982 14.674,983 35.415,984 31.455,985 32.09,986 33.965,987 31.309,988 31.304,989 33.426,990 6.881,991 80.827,992 30.988,993 5.739,994 6.181,995 7.948,996 5.679,997 5.655,998 5.898,999 3.577,1000 22.399,1001 5.617,1002 12.904,1003 1.368,1004 1.395,1005 1.477,1006 1.361,1007 1.361,1008 1.453,1009 0.299,1010 3.514,1011 1.347,1012 3.986,1013 4.027,1014 3.911,1015 3.872,1016 7.428,1017 3.874,1018 3.83,1019 3.894,1020 3.665,1021 3.714,1022 5.873,1023 3.694,1024 3.725,1025 3.793,1026 3.554,1027 3.599,1028 4.793,1029 3.579,1030 3.601,1031 3.677,1032 3.42,1033 3.458,1034 4.281,1035 3.438,1036 3.44,1037 3.523,1038 3.254,1039 3.27,1040 4.208,1041 3.251,1042 3.261,1043 3.353,1044 3.095,1045 3.057,1046 4.133,1047 3.042,1048 3.217,1049 3.328,1050 3.044,1051 2.9,1052 4.055,1053 2.932,1054 3.074,1055 3.16,1056 2.868,1057 2.841,1058 3.914,1059 2.838,1060 0.206,1061 0.184,1062 0.346,1063 0.203,1064 0.159,1065 4.747,1066 0.169,1067 4.223,1068 0.088,1069 7.959,1070 0.649,1071 4.66,1072 0.159,1073 3.663,1074 3.898,1075 2.022,1076 14.92,1077 3.651,1078 1.835,1079 1.774,1080 2.081,1081 1.989,1082 1.446,1083 2.024,1084 1.758,1085 1.694,1086 2.015,1087 1.929,1088 1.361,1089 1.96,1090 1.643,1091 1.581,1092 1.91,1093 1.842,1094 1.228,1095 1.862,1096 1.545,1097 1.492,1098 1.775,1099 1.753,1100 1.059,1101 1.758,1102 1.432,1103 1.356,1104 1.656,1105 1.649,1106 0.885,1107 1.672,1108 1.253,1109 1.162,1110 1.577,1111 1.509,1112 0.825,1113 1.536,1114 1.153,1115 1.064,1116 1.513,1117 1.376,1118 0.815,1119 1.429,1120 1.068,1121 0.974,1122 1.423,1123 1.362,1124 0.657,1125 1.383,1126 3.85,1127 1.946,1128 5.069,1129 3.932,1130 6.5,1131 5.938,1132 8.061,1133 7.91,1134 9.709,1135 2.263,1138 5.5,1140 18.103,1141 2.943,1145 -0.642,1148 31.735,1149 76.198,1150 129.891,1151 175.833,1152 221.22,1153 248.149,1154 272.639,1155 83.366,1156 5.768,1157 78.97,1158 78.97,1159 3,1160 11.971,1161 1.585,1162 1.585,1163 63.594,1164 118,1165 121,1166 0.252,1167 204.156,1168 361.41,1169 489.9,1170 2163,1172 16.968,1173 0.738,1174 0.656,1175 16.968,1176 15.092,1177 11.132,1178 0.484,1179 0.424,1180 9.708,1181 10.924,1182 9.481,1183 8.017,1184 11.132,1185 9.761,1186 8.82,1187 0.315,1188 0.255,1189 8.82,1190 7.141,1191 6.449,1192 0.208,1193 0.154,1194 6.449,1195 4.766,1196 4.395,1197 0.152,1198 0.102,1199 4.395,1200 2.956,1201 2.135,1202 0.107,1203 0.083,1204 2.135,1205 1.664,1206 0.432,1207 68.4,1208 0.261,1209 24.272,1210 0.603,1211 102,1212 203.714,1213 108.044,1214 202.018,1215 265.62,1216 186,1217 113,1218 185.298,1219 119.156,1220 189.012,1221 271.66,1222 178,1223 5.222} {0 CHEMBL1774554,1 1.247,2 15.84,3 5.891,4 34.702,5 106.067,6 5.328,8 4.192,9 4.36,10 3.418,11 3.663,12 5.029,13 3.564,14 4.79,15 5.035,16 3.597,17 4.031,18 5.524,19 3.855,20 5.122,21 5.434,22 3.692,23 4.138,24 5.828,25 3.938,26 5.136,27 5.449,28 3.547,29 4.102,30 5.995,31 3.879,32 5.074,33 5.405,34 3.366,35 4.037,36 5.674,37 3.788,38 4.977,39 5.305,40 3.31,41 3.974,42 5.557,43 3.726,44 4.938,45 5.268,46 3.26,47 3.923,48 5.521,49 3.674,50 4.876,51 5.206,52 3.206,53 3.86,54 5.47,55 3.613,56 0.093,57 0.887,58 16.735,59 6.68,60 10.155,61 9.856,62 0.234,63 1.316,64 27.496,65 10.766,66 25.981,67 15.905,68 0.269,69 1.53,70 35.454,71 12.109,72 28.825,73 18.863,74 0.51,75 1.475,76 36.06,77 11.934,78 81.378,79 18.383,80 0.272,81 1.352,82 32.179,83 11.627,84 31.472,85 17.656,86 0.218,87 1.266,88 29.288,89 10.886,90 24.656,91 16.472,92 0.213,93 1.205,94 28.049,95 10.331,96 24.319,97 15.68,98 0.204,99 1.132,100 26.422,101 9.644,102 23.531,103 14.68,104 37,105 30,106 0.205,107 0.342,108 0.461,109 0.58,110 0.651,111 0.718,112 3.264,113 1.291,114 -5.86,115 -5.72,116 -5.33,117 31.8,118 1,119 16,121 1,123 1,142 2,146 1,147 1,148 1,151 17,153 1,154 1,155 1,156 4,157 1,158 13,159 1,161 2,165 7,167 12,168 2,170 1,171 1,172 2,173 2,174 1,175 1,176 12,179 1,183 1,185 13,188 1,191 3,193 12,194 1,196 1,199 3,200 11,201 1,203 1,205 3,206 10,207 1,209 1,213 3,214 9,215 1,216 1128,217 16.907,218 16.907,219 16.907,220 16.907,221 16.907,222 16.622,223 9.38,224 11.006,225 16.994,226 12.282,227 12.282,228 12.282,229 12.282,230 12.282,231 11.78,232 9.936,233 5.211,234 12.39,235 4.798,236 3.962,237 3.239,238 2.515,239 2.079,240 1.671,241 3.904,245 1,246 786,247 5,248 62.638,256 2.739,257 19.405,259 0.75,260 0.67,261 0.83,262 0.8,263 1,264 0.83,265 0.5,266 0.77,267 52.5,268 396,269 4.747,270 4.223,271 7.959,272 4.66,273 3.663,274 3.898,275 2.022,276 14.92,277 3.651,278 3.314,279 3.04,280 5.19,281 2.998,282 2.013,283 2.418,284 1.252,285 5.154,286 1.982,287 2.967,288 1.998,289 4.538,290 2.943,291 1.948,292 1.966,293 0.167,294 3.923,295 1.931,296 2.885,297 1.97,298 3.965,299 2.834,300 1.835,301 1.878,303 3.726,304 1.83,305 2.823,306 1.888,307 3.863,308 2.671,309 1.674,310 1.801,312 3.634,313 1.669,314 2.684,315 1.749,316 3.703,317 2.489,318 1.53,319 1.673,321 3.315,322 1.469,323 2.471,324 1.553,325 3.496,326 2.415,327 1.42,328 1.461,330 2.846,331 1.402,332 2.212,333 1.305,334 3.256,335 2.177,336 1.174,337 1.197,339 2.292,340 1.175,341 1.916,342 1.014,343 3,344 1.879,345 0.88,346 0.896,347 1.682,348 0.878,349 1.594,350 0.697,351 2.99,352 1.555,353 0.56,354 0.569,355 1.047,356 0.556,357 1.257,358 0.412,359 2.696,360 1.218,361 0.226,362 0.229,363 0.418,364 0.224,365 1,366 0.275,367 2.385,368 0.894,369 -0.094,370 -0.094,371 -0.18,372 -0.093,373 0.915,374 -0.014,375 2.173,376 0.756,377 -0.259,378 -0.28,379 -0.548,380 -0.26,381 0.581,382 -0.303,383 2,384 0.519,385 -0.492,386 -0.518,387 -0.922,388 -0.495,389 0.415,390 -0.38,391 1.701,392 0.205,393 -0.802,394 -0.835,395 -1.532,396 -0.807,397 12.033,398 0.481,399 0.368,400 0.015,401 16.75,402 0.67,403 3,404 0.12,405 13.75,406 0.55,407 31.267,408 1.251,409 31.767,410 0.481,411 7.935,412 0.317,413 1.79,414 0.072,415 10.342,416 0.414,417 0.136,418 0.042,419 0.083,420 0.908,421 1.473,422 1.25,423 1.408,424 0.787,425 1.359,426 0.536,427 1.405,428 1.197,429 1.44,430 0.455,431 1.386,432 0.857,433 1.153,434 0.899,435 1.06,436 0.87,437 0.993,438 1.293,439 0.902,440 1.111,441 0.98,442 1.255,443 1.026,444 1.002,445 0.896,446 0.955,447 0.93,448 0.924,449 0.942,450 0.73,451 0.968,452 0.948,453 1.003,454 0.693,455 0.996,456 0.75,457 0.951,458 0.934,459 0.98,460 0.718,461 0.975,462 0.788,463 0.952,464 0.939,465 0.977,466 0.761,467 0.973,468 3.5,469 0.07,470 1.667,471 1.514,472 0.365,473 0.247,474 0.178,475 0.135,476 0.105,477 0.085,478 8946,479 14396,480 1.901,481 62.1,482 33,483 2,486 4,488 2,490 1.665,491 1.796,492 3.911,493 1.657,497 82.277,498 1.247,499 2.082,500 2.805,501 3.529,502 3.966,503 4.374,504 3.383,505 4.084,506 4.614,507 4.145,508 1243.45,509 7.902,510 18482.7,513 398.93,514 1.242,515 4.574,516 0.14,517 0.005,518 0.062,519 0.052,520 0.016,521 0.012,522 0.009,523 0.007,524 0.006,525 0.005,526 0.315,528 0.75,529 3.872,530 130.286,531 -0.064,532 0.045,533 -0.01,534 0.03,535 -0.036,536 0.018,537 0.163,538 -0.168,539 -0.118,540 -0.207,541 0.119,542 -0.192,543 0.084,544 -0.152,545 0.091,546 -0.054,547 0.045,548 0.01,549 0.098,550 0.083,551 -0.081,552 -0.029,553 0.148,554 -0.067,555 -0.057,556 0.028,557 -0.007,558 0.032,559 -0.041,560 0.018,561 -0.014,562 -0.013,563 -0.01,564 -0.01,565 -0.015,566 -0.009,567 -0.012,568 -0.006,569 0.002,570 0.001,571 -0.015,572 0.002,573 -0.016,574 -0.006,575 0.001,576 0.001,577 -0.02,578 0.002,579 1.893,580 4.971,581 0.12,582 32.205,583 0.976,584 1.145,585 4.633,586 21.461,587 0.59,588 3.258,589 3.434,590 3.526,591 3.466,592 3.135,593 3.091,594 3.045,595 2.996,596 2.944,597 2.89,598 9.345,599 0.527,600 351.65,601 3.258,602 4.71,603 5.493,604 6.304,605 7.13,606 7.973,607 8.829,608 9.697,609 10.574,610 11.461,611 4.5,612 1,617 1,619 1,638 66,639 2,641 25,642 66,643 21,648 1,649 1,652 1,653 1,654 1,655 2,657 16,659 2,660 19,662 2,663 1,664 1,667 2,670 41,671 4,672 4,673 4,677 3,679 1,681 1,682 1,690 1,700 1,704 1,710 1,712 1,715 25,716 1,718 17,719 1,723 1,731 1.5,734 1,737 13.917,738 11.25,739 6.083,740 5,741 0.133,742 1.022,743 0.892,744 12.026,745 6.054,746 3.332,747 3.555,748 3.714,749 3.738,750 3.219,751 3.178,752 3.135,753 3.091,754 3.045,755 2.996,756 1,757 29,758 9.381,759 3.734,760 7.523,761 18.989,762 15.456,763 2.023,764 50.583,765 0.001,768 435.531,769 58.516,770 82.58,772 25.145,774 58.516,775 460.676,776 82.58,777 8.825,778 93.566,780 32.177,781 31.672,783 435.531,785 435.531,786 141.096,787 25.145,790 411.989,791 48.687,793 134.063,794 7.033,797 435.531,798 107.725,799 58.516,801 435.531,802 49.691,803 8.825,804 18.011,805 89.714,806 435.531,807 107.725,808 58.516,810 0.538,811 0.289,812 0.133,813 0.049,814 8,815 4,816 0.258,817 17,819 1,820 4.061,821 156.282,823 3,824 114.096,826 22.314,827 13.473,828 10.112,830 107.725,838 82.58,839 601.772,840 27,841 7.498,842 11.971,845 0.001,846 64.421,847 75.593,848 0.206,849 0.344,850 0.464,851 0.584,852 0.656,853 0.724,854 4.522,855 1.174,856 5.434,857 2.846,858 4.111,859 4.234,860 2.348,861 6.24,862 4.094,863 5.613,864 0.88,865 7.008,866 2.292,867 3.761,868 4.007,869 1.854,870 7.883,871 3.746,872 6.888,873 0.56,874 8.762,875 1.682,876 5.759,877 6.014,878 3.293,879 10.96,880 5.735,881 8.228,882 0.226,883 10.642,884 1.047,885 6.463,886 6.815,887 3.33,888 13.464,889 6.444,890 9.637,891 -0.094,892 12.603,893 0.418,894 7.96,895 8.341,896 4.477,897 16.245,898 7.934,899 11.094,900 -0.259,901 14.612,902 -0.18,903 9.082,904 9.537,905 4.797,906 18.907,907 9.057,908 12.585,909 -0.492,910 16.649,911 -0.548,912 10.433,913 10.936,914 5.771,915 21.628,916 10.404,917 3.663,918 -0.802,919 18.701,920 -0.922,921 11.684,922 12.251,923 6.251,924 24.321,925 11.653,926 2.013,927 14.92,928 20.762,929 -1.532,930 12.996,931 13.62,932 7.118,933 27.028,934 12.961,935 1.948,936 5.154,937 22.829,938 3.898,939 14.282,940 14.968,941 7.691,942 29.729,943 14.244,944 1.835,945 3.923,946 24.899,947 2.418,948 15.584,949 16.329,950 8.492,951 32.433,952 15.542,953 1.674,954 3.726,955 26.97,956 1.966,957 16.879,958 17.686,959 9.119,960 35.135,961 16.834,962 1.53,963 3.634,964 29.042,965 1.878,966 18.178,967 19.047,968 9.881,969 37.838,970 18.13,971 1.42,972 3.315,973 31.116,974 1.801,975 19.475,976 20.406,977 10.539,978 40.54,979 19.424,980 9283,981 12090,982 16.06,983 38.938,984 33.98,985 34.621,986 36.509,987 33.855,988 33.848,989 35.97,990 6.881,991 85.916,992 33.533,993 5.74,994 6.19,995 7.95,996 5.68,997 5.657,998 5.898,999 3.577,1000 22.399,1001 5.623,1002 13.802,1003 1.359,1004 1.385,1005 1.46,1006 1.354,1007 1.354,1008 1.439,1009 0.275,1010 3.437,1011 1.341,1012 3.986,1013 4.028,1014 3.911,1015 3.872,1016 7.428,1017 3.874,1018 3.839,1019 3.903,1020 3.675,1021 3.724,1022 5.873,1023 3.704,1024 3.746,1025 3.813,1026 3.576,1027 3.624,1028 4.793,1029 3.603,1030 3.646,1031 3.718,1032 3.468,1033 3.511,1034 4.285,1035 3.49,1036 3.511,1037 3.591,1038 3.326,1039 3.356,1040 4.216,1041 3.336,1042 3.356,1043 3.442,1044 3.168,1045 3.176,1046 4.15,1047 3.157,1048 3.222,1049 3.336,1050 3.074,1051 2.979,1052 4.081,1053 2.966,1054 3.186,1055 3.275,1056 2.985,1057 2.9,1058 3.976,1059 2.932,1060 0.19,1061 0.169,1062 0.318,1063 0.186,1064 0.147,1065 4.747,1066 0.156,1067 4.223,1068 0.081,1069 7.959,1070 0.597,1071 4.66,1072 0.146,1073 3.663,1074 3.898,1075 2.022,1076 14.92,1077 3.651,1078 1.84,1079 1.78,1080 2.086,1081 1.993,1082 1.452,1083 2.028,1084 1.778,1085 1.715,1086 2.033,1087 1.944,1088 1.385,1089 1.976,1090 1.682,1091 1.617,1092 1.947,1093 1.869,1094 1.278,1095 1.894,1096 1.578,1097 1.524,1098 1.834,1099 1.785,1100 1.139,1101 1.796,1102 1.495,1103 1.429,1104 1.709,1105 1.7,1106 0.981,1107 1.715,1108 1.355,1109 1.272,1110 1.63,1111 1.585,1112 0.85,1113 1.615,1114 1.185,1115 1.093,1116 1.528,1117 1.452,1118 0.825,1119 1.479,1120 1.153,1121 1.064,1122 1.513,1123 1.376,1124 0.78,1125 1.429,1126 3.932,1127 1.946,1128 5.142,1129 3.932,1130 6.558,1131 5.938,1132 8.104,1133 7.91,1134 9.739,1135 2.272,1138 5.512,1140 21.023,1141 2.95,1145 -0.643,1148 34.788,1149 82.277,1150 137.425,1151 185.156,1152 232.917,1153 261.737,1154 288.665,1155 96.238,1156 5.922,1157 78.97,1158 78.97,1159 3,1160 11.997,1161 1.585,1162 1.585,1163 73.023,1164 142,1165 144,1166 0.238,1167 223.341,1168 396.01,1169 536.711,1170 2789,1172 18.383,1173 0.735,1174 0.66,1175 18.383,1176 16.506,1177 12.132,1178 0.485,1179 0.43,1180 10.708,1181 11.924,1182 10.461,1183 8.85,1184 12.132,1185 10.761,1186 9.527,1187 0.318,1188 0.262,1189 9.527,1190 7.848,1191 6.949,1192 0.211,1193 0.16,1194 6.949,1195 5.266,1196 4.748,1197 0.153,1198 0.107,1199 4.748,1200 3.309,1201 2.385,1202 0.108,1203 0.087,1204 2.385,1205 1.914,1206 0.412,1207 74.4,1208 0.25,1209 26.239,1210 0.563,1211 110,1212 211.714,1213 116.044,1214 210.342,1215 277.14,1216 194,1217 121,1218 193.298,1219 127.156,1220 197.335,1221 283.18,1222 186,1223 5.268} {0 CHEMBL1774555,1 1.226,2 17.37,3 6.803,4 46.284,5 115.269,6 5.274,8 4.276,9 4.444,10 3.492,11 3.75,12 5.095,13 3.647,14 4.88,15 5.126,16 3.668,17 4.122,18 5.595,19 3.941,20 5.217,21 5.531,22 3.758,23 4.233,24 5.897,25 4.025,26 5.229,27 5.544,28 3.622,29 4.199,30 6.054,31 3.971,32 5.173,33 5.505,34 3.456,35 4.141,36 5.755,37 3.889,38 5.086,39 5.414,40 3.405,41 4.085,42 5.647,43 3.833,44 5.05,45 5.381,46 3.359,47 4.039,48 5.614,49 3.786,50 4.995,51 5.326,52 3.311,53 3.983,54 5.569,55 3.731,56 0.1,57 0.965,58 18.251,59 7.362,60 10.732,61 10.826,62 0.246,63 1.441,64 29.976,65 11.874,66 26.77,67 17.483,68 0.285,69 1.683,70 38.548,71 13.475,72 30.299,73 20.817,74 0.521,75 1.629,76 39.115,77 13.301,78 81.92,79 20.337,80 0.282,81 1.505,82 35.2,83 12.992,84 31.902,85 19.601,86 0.23,87 1.418,88 32.343,89 12.252,90 25.432,91 18.423,92 0.225,93 1.357,94 31.106,95 11.697,96 25.086,97 17.632,98 0.217,99 1.284,100 29.49,101 11.011,102 24.33,103 16.634,104 39,105 32,106 0.198,107 0.324,108 0.434,109 0.545,110 0.613,111 0.678,112 3.337,113 1.307,114 -6.3,115 -6.13,116 -5.7,117 31.9,118 1,119 18,121 1,123 1,142 2,146 1,147 1,148 1,151 19,153 1,154 1,155 1,156 4,157 1,158 15,159 1,161 2,165 7,167 14,168 2,170 1,171 1,172 2,173 2,174 1,175 1,176 14,179 1,183 1,185 15,188 1,191 3,193 14,194 1,196 1,199 3,200 13,201 1,203 1,205 3,206 12,207 1,209 1,213 3,214 11,215 1,216 1438,217 18.321,218 18.321,219 18.321,220 18.321,221 18.321,222 18.036,223 9.38,224 12.006,225 18.408,226 13.282,227 13.282,228 13.282,229 13.282,230 13.282,231 12.78,232 9.936,233 5.711,234 13.39,235 4.943,236 4.159,237 3.475,238 2.783,239 2.361,240 1.961,241 3.981,245 1,246 932,247 5.196,248 68.452,256 3.023,257 19.532,259 0.75,260 0.67,261 0.67,262 0.5,263 1,264 0.67,265 0.5,266 0.68,267 56.5,268 469,269 4.747,270 4.223,271 7.959,272 4.66,273 3.663,274 3.898,275 2.022,276 14.92,277 3.651,278 3.314,279 3.04,280 5.19,281 2.998,282 2.013,283 2.418,284 1.252,285 5.154,286 1.984,287 2.973,288 1.998,289 4.538,290 2.954,291 1.958,292 1.973,293 0.167,294 3.939,295 1.942,296 2.901,297 1.975,298 3.972,299 2.865,300 1.867,301 1.898,303 3.77,304 1.86,305 2.841,306 1.908,307 3.89,308 2.731,309 1.732,310 1.819,312 3.662,313 1.729,314 2.74,315 1.795,316 3.759,317 2.56,318 1.575,319 1.729,321 3.448,322 1.555,323 2.568,324 1.636,325 3.587,326 2.455,327 1.49,328 1.559,330 3.067,331 1.428,332 2.354,333 1.433,334 3.383,335 2.32,336 1.316,337 1.342,339 2.605,340 1.318,341 2.105,342 1.191,343 3.155,344 2.073,345 1.072,346 1.09,347 2.084,348 1.072,349 1.831,350 0.92,351 3,352 1.797,353 0.799,354 0.811,355 1.525,356 0.796,357 1.537,358 0.631,359 2.905,360 1.501,361 0.506,362 0.513,363 0.95,364 0.503,365 1.232,366 0.391,367 2.633,368 1.197,369 0.204,370 0.206,371 0.38,372 0.202,373 1,374 0.257,375 2.351,376 0.903,377 -0.086,378 -0.087,379 -0.165,380 -0.085,381 0.923,382 -0.012,383 2.167,384 0.762,385 -0.25,386 -0.268,387 -0.531,388 -0.25,389 0.62,390 -0.282,391 2,392 0.563,393 -0.448,394 -0.472,395 -0.847,396 -0.451,397 13.033,398 0.483,399 0.368,400 0.014,401 17.75,402 0.657,403 3,404 0.111,405 14.75,406 0.546,407 35.023,408 1.297,409 34.367,410 0.477,411 8.083,412 0.299,413 1.79,414 0.066,415 11.342,416 0.42,417 0.125,418 0.038,419 0.077,420 0.914,421 1.475,422 1.267,423 1.416,424 0.788,425 1.371,426 0.548,427 1.412,428 1.218,429 1.446,430 0.458,431 1.396,432 0.849,433 1.138,434 0.905,435 1.054,436 0.859,437 0.994,438 1.272,439 0.91,440 1.099,441 0.982,442 1.237,443 1.023,444 0.987,445 0.904,446 0.956,447 0.937,448 0.909,449 0.948,450 0.719,451 0.97,452 0.949,453 1.003,454 0.678,455 0.997,456 0.735,457 0.954,458 0.936,459 0.983,460 0.699,461 0.978,462 0.767,463 0.955,464 0.94,465 0.981,466 0.735,467 0.976,468 3.5,469 0.07,470 1.667,471 1.514,472 0.365,473 0.247,474 0.178,475 0.135,476 0.105,477 0.085,478 11496,479 18034,480 1.908,481 62.5,482 37,483 2,486 4,488 2,490 1.686,491 1.81,492 4.041,493 1.588,497 88.304,498 1.226,499 2.011,500 2.695,501 3.387,502 3.809,503 4.209,504 3.514,505 4.162,506 4.725,507 4.281,508 1502.74,509 8.123,510 24263.2,513 444.235,514 1.183,515 4.69,516 0.13,517 0.004,518 0.057,519 0.049,520 0.015,521 0.011,522 0.008,523 0.007,524 0.006,525 0.005,526 0.291,528 0.75,529 4.032,530 145.236,531 -0.059,532 0.043,533 -0.009,534 0.027,535 -0.032,536 0.016,537 0.156,538 -0.174,539 -0.129,540 -0.211,541 0.116,542 -0.198,543 0.086,544 -0.138,545 0.085,546 -0.049,547 0.049,548 0.009,549 0.104,550 0.076,551 -0.073,552 -0.026,553 0.153,554 -0.06,555 -0.052,556 0.027,557 -0.007,558 0.028,559 -0.037,560 0.016,561 -0.011,562 -0.011,563 -0.008,564 -0.009,565 -0.012,566 -0.008,567 -0.009,568 -0.004,569 0.002,571 -0.012,572 0.002,573 -0.013,574 -0.005,575 0.001,577 -0.016,578 0.002,579 1.894,580 4.997,581 0.111,582 38.288,583 0.975,584 1.145,585 5.066,586 25.667,587 0.59,588 3.332,589 3.497,590 3.584,591 3.526,592 3.219,593 3.178,594 3.135,595 3.091,596 3.045,597 2.996,598 10.222,599 0.526,600 379.71,601 3.332,602 4.779,603 5.557,604 6.361,605 7.18,606 8.017,607 8.865,608 9.728,609 10.6,610 11.482,611 4.2,612 1,617 1,619 1,638 72,639 2,641 27,642 72,643 23,648 1,649 1,652 1,653 1,654 1,655 2,657 18,659 2,660 21,662 2,663 1,664 1,667 2,670 45,671 4,672 4,673 4,677 3,679 1,681 1,682 1,690 1,700 1,704 1,710 1,712 1,715 27,716 1,718 19,719 1,723 1,731 1.4,734 1,737 14.917,738 12.25,739 6.583,740 5.5,741 0.124,742 1.021,743 0.892,744 13.709,745 6.188,746 3.401,747 3.611,748 3.761,749 3.784,750 3.296,751 3.258,752 3.219,753 3.178,754 3.135,755 3.091,756 1,757 31,758 10.137,759 4.021,760 7.485,761 20.622,762 16.79,763 1.985,764 53.583,768 482.615,769 63.585,770 82.58,772 25.145,774 63.585,775 507.76,776 82.58,777 8.825,778 98.635,780 32.177,781 31.672,783 482.615,785 482.615,786 146.165,787 25.145,790 459.073,791 48.687,793 139.132,794 7.033,797 482.615,798 107.725,799 63.585,801 482.615,802 54.76,803 8.825,804 18.011,805 89.714,806 482.615,807 107.725,808 63.585,810 0.535,811 0.286,812 0.132,813 0.05,814 8,815 4,816 0.264,817 19,819 1,820 4.305,821 171.765,823 3,824 124.382,826 24.311,827 15.225,828 11.653,830 107.725,838 82.58,839 653.925,840 29,841 7.512,842 11.997,845 0.003,846 70.188,847 82.424,848 0.199,849 0.326,850 0.437,851 0.549,852 0.617,853 0.682,854 4.585,855 1.316,856 5.485,857 3.067,858 4.174,859 4.29,860 2.348,861 6.271,862 4.159,863 5.663,864 1.072,865 7.043,866 2.605,867 3.761,868 4.007,869 1.854,870 7.883,871 3.746,872 6.926,873 0.799,874 8.783,875 2.084,876 5.796,877 6.043,878 3.293,879 10.963,880 5.773,881 8.255,882 0.506,883 10.654,884 1.525,885 6.463,886 6.815,887 3.33,888 13.464,889 6.444,890 9.656,891 0.204,892 12.609,893 0.95,894 7.973,895 8.35,896 4.477,897 16.245,898 7.948,899 11.106,900 -0.086,901 14.615,902 0.38,903 9.082,904 9.537,905 4.797,906 18.907,907 9.057,908 12.593,909 -0.25,910 16.65,911 -0.165,912 10.437,913 10.938,914 5.771,915 21.628,916 10.408,917 3.663,918 -0.448,919 18.702,920 -0.531,921 11.684,922 12.251,923 6.251,924 24.321,925 11.653,926 2.013,927 14.92,928 20.763,929 -0.847,930 12.997,931 13.62,932 7.118,933 27.028,934 12.962,935 1.958,936 5.154,937 22.829,938 3.898,939 14.282,940 14.968,941 7.691,942 29.729,943 14.244,944 1.867,945 3.939,946 24.899,947 2.418,948 15.584,949 16.329,950 8.492,951 32.433,952 15.543,953 1.732,954 3.77,955 26.97,956 1.973,957 16.879,958 17.686,959 9.119,960 35.135,961 16.834,962 1.575,963 3.662,964 29.042,965 1.898,966 18.178,967 19.047,968 9.881,969 37.838,970 18.13,971 1.49,972 3.448,973 31.116,974 1.819,975 19.475,976 20.406,977 10.539,978 40.54,979 19.424,980 11863,981 15228,982 17.446,983 42.461,984 36.508,985 37.154,986 39.049,987 36.401,988 36.393,989 38.515,990 6.881,991 91.007,992 36.077,993 5.742,994 6.197,995 7.952,996 5.68,997 5.658,998 5.898,999 3.577,1000 22.399,1001 5.628,1002 14.671,1003 1.352,1004 1.376,1005 1.446,1006 1.348,1007 1.348,1008 1.426,1009 0.255,1010 3.371,1011 1.336,1012 3.987,1013 4.03,1014 3.911,1015 3.873,1016 7.428,1017 3.875,1018 3.847,1019 3.91,1020 3.683,1021 3.732,1022 5.873,1023 3.712,1024 3.761,1025 3.828,1026 3.593,1027 3.642,1028 4.793,1029 3.621,1030 3.679,1031 3.75,1032 3.504,1033 3.549,1034 4.29,1035 3.528,1036 3.565,1037 3.642,1038 3.382,1039 3.42,1040 4.221,1041 3.399,1042 3.432,1043 3.515,1044 3.243,1045 3.268,1046 4.164,1047 3.247,1048 3.285,1049 3.374,1050 3.106,1051 3.095,1052 4.1,1053 3.077,1054 3.218,1055 3.332,1056 3.056,1057 2.917,1058 4.019,1059 2.932,1060 0.176,1061 0.156,1062 0.295,1063 0.173,1064 0.136,1065 4.747,1066 0.144,1067 4.223,1068 0.075,1069 7.959,1070 0.553,1071 4.66,1072 0.135,1073 3.663,1074 3.898,1075 2.022,1076 14.92,1077 3.651,1078 1.844,1079 1.784,1080 2.089,1081 1.996,1082 1.457,1083 2.031,1084 1.793,1085 1.731,1086 2.045,1087 1.955,1088 1.402,1089 1.988,1090 1.712,1091 1.647,1092 1.975,1093 1.891,1094 1.315,1095 1.92,1096 1.613,1097 1.553,1098 1.88,1099 1.813,1100 1.199,1101 1.832,1102 1.534,1103 1.477,1104 1.769,1105 1.737,1106 1.063,1107 1.747,1108 1.432,1109 1.356,1110 1.665,1111 1.645,1112 0.918,1113 1.671,1114 1.287,1115 1.199,1116 1.6,1117 1.528,1118 0.833,1119 1.559,1120 1.153,1121 1.064,1122 1.513,1123 1.405,1124 0.825,1125 1.433,1126 4.007,1127 1.946,1128 5.209,1129 3.932,1130 6.613,1131 5.938,1132 8.145,1133 7.91,1134 9.769,1135 2.279,1138 5.522,1140 23.958,1141 2.957,1145 -0.644,1148 37.842,1149 88.304,1150 144.761,1151 194.059,1152 243.854,1153 274.221,1154 303.041,1155 109.965,1156 6.064,1157 78.97,1158 78.97,1159 3,1160 12.022,1161 1.585,1162 1.585,1163 83.009,1164 168,1165 169,1166 0.226,1167 242.525,1168 430.61,1169 583.522,1170 3523,1172 19.797,1173 0.733,1174 0.664,1175 19.797,1176 17.921,1177 13.132,1178 0.486,1179 0.436,1180 11.708,1181 12.924,1182 11.442,1183 9.684,1184 13.132,1185 11.761,1186 10.234,1187 0.32,1188 0.267,1189 10.234,1190 8.555,1191 7.449,1192 0.213,1193 0.165,1194 7.449,1195 5.766,1196 5.102,1197 0.155,1198 0.111,1199 5.102,1200 3.663,1201 2.635,1202 0.11,1203 0.09,1204 2.635,1205 2.164,1206 0.395,1207 80.4,1208 0.239,1209 28.153,1210 0.531,1211 118,1212 219.714,1213 124.044,1214 218.665,1215 288.66,1216 202,1217 129,1218 201.298,1219 135.156,1220 205.658,1221 294.7,1222 194,1223 5.046} {0 CHEMBL1774556,1 1.385,2 16.667,3 4.654,4 21.66,5 120.698,6 6.47,7 0.375,8 4.194,9 4.331,10 3.624,11 3.734,12 5.208,13 3.679,14 4.727,15 4.916,16 3.876,17 4.093,18 5.674,19 3.991,20 5.013,21 5.257,22 3.953,23 4.195,24 5.935,25 4.072,26 5.083,27 5.354,28 3.781,29 4.136,30 6.094,31 3.978,32 4.986,33 5.274,34 3.666,35 4.062,36 5.802,37 3.897,38 4.849,39 5.108,40 3.63,41 4.039,42 5.666,43 3.875,44 4.871,45 5.152,46 3.525,47 4.001,48 5.66,49 3.813,50 4.803,51 5.097,52 3.397,53 3.887,54 5.558,55 3.695,56 0.073,57 0.876,58 14.799,59 6.179,60 11.293,61 8.653,62 0.235,63 1.349,64 25.698,65 10.426,66 33.151,67 14.596,68 0.254,69 1.669,70 34.644,71 12.369,72 36.636,73 18.205,74 0.564,75 1.665,76 37.985,77 12.594,78 97.327,79 18.526,80 0.349,81 1.466,82 33.966,83 12.212,84 52.891,85 17.693,86 0.22,87 1.38,88 29.058,89 11.272,90 34.404,91 16.293,92 0.216,93 1.396,94 29.719,95 11.15,96 36.275,97 16.543,98 0.245,99 1.253,100 27.959,101 10.255,102 37.211,103 15.15,104 11,105 42,106 0.224,107 0.53,108 0.68,109 0.811,110 0.853,111 0.853,112 3.439,113 1.028,114 -4.77,115 -4.68,116 -4.4,117 39.7,119 8,121 1,123 2,130 9,131 2,132 1,142 2,146 1,147 1,148 1,151 19,153 3,154 1,155 1,156 5,157 1,158 17,159 1,161 5,165 8,167 13,168 2,170 5,171 1,172 2,173 2,174 1,175 1,176 10,179 4,183 1,185 15,188 2,191 5,193 15,194 2,196 2,199 5,200 13,201 2,203 2,205 3,206 11,207 1,209 3,213 3,214 9,215 1,216 1750,217 20.396,218 20.396,219 20.396,220 20.396,221 20.396,222 18.636,223 21.065,224 12.525,225 20.611,226 15.766,227 15.766,228 15.766,229 15.766,230 15.766,231 13.158,232 23.393,233 5.952,234 16.079,235 4.592,236 2.697,237 1.767,238 0.957,239 0.698,240 0.698,241 4.115,244 1,245 1,246 1062,247 4.528,248 71.466,251 255.911,256 2.822,257 24.999,259 1,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.86,267 63.5,268 500,269 4.751,270 4.226,271 7.96,272 4.662,273 3.665,274 3.911,275 2.022,276 14.927,277 3.652,278 4.039,279 3.073,280 5.555,281 3.648,282 2.66,283 3.626,284 1.252,285 7.498,286 2.629,287 3.896,288 2.843,289 5.34,290 3.509,291 2.522,292 3.444,293 1.151,294 6.965,295 2.491,296 3.537,297 2.771,298 5.275,299 3.235,300 2.255,301 2.805,302 0.167,303 6.568,304 2.204,305 3.178,306 2.347,307 4.953,308 2.858,309 1.879,310 2.282,312 4.554,313 1.842,314 2.971,315 2.161,316 4.5,317 2.693,318 1.708,319 2.121,321 3.783,322 1.676,323 2.854,324 1.988,325 3.901,326 2.565,327 1.607,328 1.871,330 3.594,331 1.535,332 2.782,333 1.76,334 3.696,335 2.43,336 1.452,337 1.735,339 3.305,340 1.411,341 2.545,342 1.524,343 3.521,344 2.388,345 1.399,346 1.546,347 2.943,348 1.375,349 2.5,350 1.206,351 3.414,352 2,353 1.033,354 1.5,355 2.275,356 1,357 2.5,358 1,359 3.247,360 2,361 1,362 1.5,363 2.165,364 1,365 2.117,366 1,367 3.22,368 1.979,369 1,370 1.097,371 2.136,372 0.967,373 1.653,374 0.799,375 3.057,376 1.514,377 0.551,378 0.589,379 1.182,380 0.527,381 1.334,382 0.583,383 3,384 1.115,385 0.142,386 0.158,387 0.326,388 0.137,389 1.027,390 0.341,391 2.764,392 0.87,393 -0.097,394 -0.104,395 -0.227,396 -0.094,397 14.367,398 0.479,399 0.573,400 0.019,401 33.25,402 1.108,403 15.5,404 0.517,405 17.75,406 0.592,407 27.585,408 0.92,409 33.633,410 0.534,411 23.085,412 0.77,413 6.136,414 0.205,415 8.463,416 0.282,417 0.079,418 0.035,419 0.174,420 0.865,421 1.171,422 0.963,423 1.106,424 0.785,425 1.046,426 0.888,427 1.197,428 1.058,429 1.205,430 0.589,431 1.168,432 1.013,433 1.23,434 0.984,435 1.136,436 0.999,437 1.068,438 1.314,439 0.888,440 1.125,441 0.978,442 1.196,443 1.022,444 1.187,445 0.786,446 0.907,447 0.819,448 1.095,449 0.838,450 0.837,451 1.063,452 1.014,453 1.08,454 0.713,455 1.075,456 0.667,457 1.069,458 1.011,459 1.089,460 0.617,461 1.086,462 0.843,463 0.908,464 0.965,465 0.95,466 0.863,467 0.968,468 5.5,469 0.078,470 2.333,471 1.701,472 0.808,473 0.57,474 0.334,475 0.254,476 0.187,477 0.116,478 15963,479 35745,480 2.043,481 52.4,482 14,483 13,486 4,488 2,490 1.715,491 1.946,492 3.972,493 1.531,497 87.252,498 1.385,499 3.28,500 4.21,501 5.021,502 5.279,503 5.279,504 3.378,505 3.99,506 4.878,507 4.219,508 1835.42,509 8.435,510 30283.3,511 1,513 376.569,514 1.287,515 4.847,516 0.172,517 0.004,518 0.06,519 0.043,520 0.026,521 0.019,522 0.012,523 0.01,524 0.008,525 0.006,526 0.359,528 0.88,529 0.659,530 163.742,531 -0.056,532 0.082,533 0.023,534 0.056,535 -0.059,536 0.054,537 0.062,538 -0.092,539 -0.074,540 -0.106,541 0.077,542 -0.111,543 0.002,544 -0.205,545 0.008,546 -0.132,547 -0.012,548 -0.072,549 0.018,550 0.089,551 -0.103,552 -0.042,553 0.116,554 -0.08,555 -0.074,556 0.121,557 0.081,558 0.147,559 -0.034,560 0.133,561 -0.045,562 -0.085,563 -0.056,564 -0.055,565 -0.003,566 -0.059,567 -0.016,568 -0.099,569 -0.064,570 -0.095,571 -0.011,572 -0.086,573 -0.043,574 0.023,575 -0.006,576 0.022,577 -0.067,578 0.014,579 2.009,580 5.293,581 0.5,582 42.489,583 0.988,584 1.129,585 3.541,586 12.535,587 0.64,588 3.497,589 3.761,590 3.932,591 4.007,592 4.007,593 3.951,594 3.97,595 4.025,596 4.078,597 3.951,598 9.904,599 0.594,600 407.61,601 3.497,602 5.004,603 5.826,604 6.671,605 7.517,606 8.376,607 9.238,608 10.109,609 10.983,610 11.865,611 4.8,612 1,617 1,619 1,623 9,628 3,630 12,638 63,639 14,640 2,641 32,642 65,643 25,644 12,645 3,646 9,648 3,649 3,653 1,654 1,655 2,657 8,659 14,660 11,662 2,663 1,664 1,667 2,669 1,670 33,671 5,672 4,673 5,677 3,679 1,681 1,682 2,690 1,693 2,700 1,704 1,709 1,710 3,715 30,716 1,718 10,719 1,720 1,723 1,731 3.2,734 1,735 1,737 15.417,738 10.667,739 6.833,740 4.021,741 1.975,742 1.284,743 0.949,744 8.327,745 8.94,746 3.714,747 4.174,748 4.575,749 4.952,750 5.288,751 5.151,752 5.329,753 5.509,754 5.584,755 5.5,756 0.909,757 40,758 11.153,759 4.657,760 7.653,761 21.788,762 17.943,763 2.153,764 64.583,767 1,768 341.362,769 130.908,770 82.58,772 36.145,774 130.908,775 377.507,776 82.58,778 80.369,779 85.286,780 43.177,781 40.8,783 341.362,785 341.362,786 213.488,787 36.145,790 317.82,791 48.687,792 11,793 112.041,794 101.447,797 341.362,798 118.725,799 130.908,801 341.362,802 45.621,803 85.286,804 18.011,805 100.714,806 341.362,807 118.725,808 130.908,810 0.566,811 0.315,812 0.153,813 0.068,814 17,815 7,816 0.2,817 13,819 1,820 4.545,821 227.827,823 15,824 137.207,826 22.363,827 11.171,828 7.157,830 118.725,831 18.309,836 3.285,838 82.58,839 590.994,840 40,841 7.593,842 12.293,845 -0.185,846 62.214,847 71.142,848 0.232,849 0.549,850 0.704,851 0.84,852 0.883,853 0.883,854 4.927,855 1.452,856 5.796,857 3.594,858 4.443,859 4.86,860 2.573,861 6.608,862 4.41,863 6.097,864 1.399,865 7.368,866 3.305,867 4.111,868 4.559,869 1.854,870 8.052,871 4.09,872 7.394,873 1.033,874 9.086,875 2.943,876 6.098,877 6.893,878 3.415,879 11.112,880 6.052,881 8.736,882 1,883 10.91,884 2.275,885 6.711,886 7.4,887 3.33,888 13.517,889 6.681,890 10.123,891 1,892 12.81,893 2.165,894 8.202,895 9.24,896 4.529,897 16.285,898 8.157,899 11.543,900 0.551,901 14.765,902 2.136,903 9.235,904 10.114,905 4.797,906 18.923,907 9.2,908 12.989,909 0.142,910 16.759,911 1.182,912 10.573,913 11.736,914 5.79,915 21.64,916 10.531,917 3.665,918 -0.097,919 18.779,920 0.326,921 11.773,922 12.796,923 6.251,924 24.329,925 11.734,926 2.66,927 14.927,928 20.817,929 -0.227,930 13.072,931 14.304,932 7.125,933 27.035,934 13.028,935 2.522,936 7.498,937 22.867,938 3.911,939 14.333,940 15.471,941 7.691,942 29.735,943 14.289,944 2.255,945 6.965,946 24.926,947 3.626,948 15.626,949 16.913,950 8.495,951 32.439,952 15.579,953 1.879,954 6.568,955 26.989,956 3.444,957 16.91,958 18.145,959 9.119,960 35.141,961 16.86,962 1.708,963 4.554,964 29.056,965 2.805,966 18.204,967 19.548,968 9.882,969 37.844,970 18.151,971 1.607,972 3.783,973 31.126,974 2.282,975 19.496,976 20.822,977 10.539,978 40.547,979 19.441,980 15315,981 23056,982 21.435,983 40.347,984 46.315,985 46.862,986 48.053,987 45.719,988 45.747,989 56.372,990 9.182,991 124.441,992 44.893,993 5.708,994 6.226,995 7.87,996 5.699,997 5.665,998 6.911,999 3.577,1000 22.505,1001 5.652,1002 13.172,1003 1.447,1004 1.464,1005 1.502,1006 1.429,1007 1.43,1008 1.762,1009 0.287,1010 3.889,1011 1.403,1012 4.017,1013 4.054,1014 3.949,1015 3.921,1016 7.428,1017 3.921,1018 3.914,1019 3.948,1020 3.836,1021 3.843,1022 5.873,1023 3.837,1024 3.895,1025 3.929,1026 3.818,1027 3.822,1028 4.8,1029 3.817,1030 3.733,1031 3.793,1032 3.578,1033 3.613,1034 4.787,1035 3.595,1036 3.507,1037 3.569,1038 3.351,1039 3.346,1040 4.741,1041 3.335,1042 3.282,1043 3.349,1044 3.162,1045 3.081,1046 4.497,1047 3.084,1048 3.22,1049 3.326,1050 3.074,1051 2.953,1052 4.16,1053 2.954,1054 3.149,1055 3.21,1056 3.004,1057 2.9,1058 4.114,1059 2.932,1060 0.148,1061 0.132,1062 0.249,1063 0.146,1064 0.115,1065 4.751,1066 0.122,1067 4.226,1068 0.063,1069 7.96,1070 0.466,1071 4.662,1072 0.114,1073 3.665,1074 3.911,1075 2.022,1076 14.927,1077 3.652,1078 1.936,1079 1.905,1080 2.081,1081 2.034,1082 1.401,1083 2.05,1084 1.905,1085 1.877,1086 2.036,1087 1.998,1088 1.22,1089 2.012,1090 1.751,1091 1.693,1092 1.975,1093 1.908,1094 1.132,1095 1.934,1096 1.555,1097 1.513,1098 1.777,1099 1.773,1100 1.019,1101 1.76,1102 1.485,1103 1.427,1104 1.642,1105 1.691,1106 0.841,1107 1.7,1108 1.238,1109 1.179,1110 1.521,1111 1.492,1112 0.825,1113 1.498,1114 1.153,1115 1.064,1116 1.513,1117 1.394,1118 0.745,1119 1.429,1120 1.109,1121 1.038,1122 1.399,1123 1.376,1124 0.598,1125 1.382,1126 4.174,1127 1.946,1128 5.451,1129 3.932,1130 6.932,1131 5.938,1132 8.514,1133 7.91,1134 10.154,1138 5.564,1140 9.867,1141 2.893,1142 5.723,1145 -0.759,1148 37.396,1149 87.252,1150 206.665,1151 265.227,1152 316.304,1153 332.569,1154 332.569,1155 69.086,1156 6.964,1157 88.2,1158 88.2,1159 15,1160 12.403,1161 3.907,1162 3.17,1163 56.217,1164 181,1165 162,1166 0.144,1167 233.355,1168 411.64,1169 561.146,1170 11644,1172 21.236,1173 0.708,1174 0.589,1175 21.236,1176 17.661,1177 14.599,1178 0.456,1179 0.343,1180 10.878,1181 14.257,1182 10.64,1183 8.855,1184 14.599,1185 10.966,1186 12.468,1187 0.297,1188 0.195,1189 12.468,1190 8.203,1191 9.811,1192 0.196,1193 0.111,1194 9.811,1195 5.528,1196 7.355,1197 0.136,1198 0.064,1199 7.355,1200 3.452,1201 4.783,1202 0.089,1203 0.038,1204 4.783,1205 2.051,1206 0.246,1207 90.157,1208 0.216,1209 30.151,1210 0.348,1211 148,1212 359.449,1213 157.256,1214 353.81,1215 476.11,1216 330,1217 169,1218 337.498,1219 178.479,1220 347.322,1221 500.64,1222 326,1223 5.301} {0 CHEMBL1774557,1 1.307,2 16.667,3 6.289,4 39.545,5 123.304,6 6.241,7 0.375,8 4.213,9 4.357,10 3.611,11 3.778,12 5.191,13 3.706,14 4.751,15 4.951,16 3.867,17 4.151,18 5.649,19 4.027,20 5.073,21 5.334,22 3.941,23 4.264,24 5.933,25 4.116,26 5.125,27 5.407,28 3.768,29 4.218,30 6.085,31 4.033,32 5.058,33 5.36,34 3.66,35 4.15,36 5.814,37 3.957,38 4.921,39 5.197,40 3.629,41 4.104,42 5.686,43 3.918,44 4.918,45 5.211,46 3.52,47 4.048,48 5.667,49 3.843,50 4.839,51 5.142,52 3.39,53 3.934,54 5.556,55 3.726,56 0.081,57 0.906,58 15.477,59 6.486,60 11.327,61 9.286,62 0.197,63 1.422,64 26.335,65 11.17,66 28.202,67 15.943,68 0.242,69 1.79,70 36.378,71 13.567,72 31.911,73 20.129,74 0.494,75 1.793,76 38.712,77 13.8,78 90.12,79 20.429,80 0.277,81 1.611,82 35.391,83 13.627,84 46.649,85 19.86,86 0.188,87 1.491,88 30.736,89 12.389,90 31.609,91 18.045,92 0.191,93 1.472,94 30.591,95 11.902,96 32.942,97 17.686,98 0.205,99 1.317,100 28.316,101 10.873,102 32.352,103 16.064,104 11,105 42,106 0.21,107 0.492,108 0.601,109 0.728,110 0.78,111 0.799,112 3.439,113 1.068,114 -5.76,115 -5.63,116 -5.24,117 40,119 11,121 1,130 9,131 2,132 1,142 2,146 1,147 1,148 1,151 23,153 1,154 1,155 1,156 5,157 1,158 23,159 1,161 2,165 8,167 21,168 2,170 2,171 1,172 2,173 2,174 1,175 1,176 18,179 2,183 1,185 21,188 1,191 5,193 19,194 2,196 1,199 5,200 16,201 2,203 1,205 3,206 15,207 1,209 1,213 3,214 14,215 1,216 1750,217 20.396,218 20.396,219 20.396,220 20.396,221 20.396,222 18.636,223 18.237,224 12.525,225 20.476,226 15.766,227 15.766,228 15.766,229 15.766,230 15.766,231 13.158,232 17.877,233 5.952,234 15.88,235 4.715,236 2.961,237 2.276,238 1.488,239 1.162,240 1.046,241 4.115,245 1,246 1062,247 4.528,248 71.466,251 255.911,256 2.822,257 21.632,259 0.75,260 0.67,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.8,267 62.5,268 500,269 4.751,270 4.226,271 7.96,272 4.662,273 3.665,274 3.911,275 2.022,276 14.927,277 3.652,278 4.039,279 3.073,280 5.555,281 3.648,282 2.66,283 3.626,284 1.252,285 7.498,286 2.629,287 3.896,288 2.771,289 5.34,290 3.522,291 2.522,292 3.444,293 0.167,294 6.965,295 2.522,296 3.537,297 2.718,298 5.275,299 3.235,300 2.255,301 2.805,303 6.568,304 2.204,305 3.178,306 2.347,307 4.953,308 2.879,309 1.879,310 2.282,312 4.554,313 1.878,314 2.971,315 1.988,316 4.5,317 2.7,318 1.708,319 2.121,321 3.783,322 1.688,323 2.854,324 1.877,325 3.901,326 2.603,327 1.607,328 1.871,330 3.594,331 1.6,332 2.782,333 1.652,334 3.696,335 2.433,336 1.452,337 1.735,339 3.305,340 1.421,341 2.545,342 1.453,343 3.521,344 2.397,345 1.399,346 1.546,347 2.943,348 1.388,349 2.5,350 1.064,351 3.414,352 2.033,353 1.033,354 1.5,355 2.275,356 1.033,357 2.5,358 1,359 3.247,360 2,361 1,362 1.5,363 2.165,364 1,365 2.117,366 1,367 3.22,368 2,369 1,370 1.097,371 2.136,372 1,373 1.653,374 0.726,375 3.057,376 1.55,377 0.551,378 0.589,379 1.182,380 0.55,381 1.334,382 0.502,383 3,384 1.132,385 0.142,386 0.158,387 0.326,388 0.14,389 1.027,390 0.284,391 2.764,392 0.886,393 -0.097,394 -0.104,395 -0.227,396 -0.096,397 14.533,398 0.484,399 0.573,400 0.019,401 32.75,402 1.092,403 15.5,404 0.517,405 17.25,406 0.575,407 29.024,408 0.967,409 33.467,410 0.515,411 21.646,412 0.722,413 5.651,414 0.188,415 8.948,416 0.298,417 0.078,418 0.034,419 0.172,420 0.864,421 1.136,422 1.014,423 1.077,424 0.771,425 1.055,426 0.476,427 1.242,428 1.052,429 1.259,430 0.479,431 1.214,432 0.946,433 1.174,434 0.964,435 1.091,436 0.949,437 1.038,438 1.211,439 0.913,440 1.119,441 1.008,442 1.143,443 1.049,444 1.036,445 0.81,446 0.884,447 0.851,448 1.009,449 0.861,450 0.69,451 1.053,452 0.978,453 1.072,454 0.64,455 1.056,456 0.602,457 1.049,458 0.989,459 1.066,460 0.577,461 1.057,462 0.83,463 0.909,464 0.955,465 0.95,466 0.838,467 0.961,468 5.5,469 0.078,470 2.333,471 1.701,472 0.808,473 0.57,474 0.334,475 0.254,476 0.187,477 0.116,478 15963,479 32605,480 2.043,481 53.8,482 22,483 9,486 4,490 1.715,491 1.946,492 3.972,493 1.498,497 84.963,498 1.307,499 3.062,500 3.746,501 4.534,502 4.861,503 4.976,504 3.378,505 3.99,506 4.878,507 4.219,508 1835.42,509 8.435,510 30283.3,513 391.454,514 1.287,515 4.847,516 0.172,517 0.004,518 0.06,519 0.043,520 0.026,521 0.019,522 0.012,523 0.01,524 0.008,525 0.006,526 0.359,528 0.75,529 0.659,530 163.742,531 -0.074,532 0.116,533 0.017,534 0.087,535 -0.046,536 0.066,537 0.192,538 -0.128,539 -0.064,540 -0.147,541 0.121,542 -0.133,543 0.045,544 -0.161,545 0.029,546 -0.089,547 0.005,548 -0.04,549 0.1,550 0.074,551 -0.11,552 -0.057,553 0.141,554 -0.094,555 -0.03,556 0.099,557 0.084,558 0.12,559 -0.01,560 0.112,561 0.004,562 -0.088,563 -0.021,564 -0.055,565 0.027,566 -0.044,567 0.009,568 -0.087,569 -0.039,570 -0.079,571 0.009,572 -0.064,573 -0.03,574 0.022,575 0.003,576 0.021,577 -0.054,578 0.016,579 2,580 5.302,581 0.5,582 42.489,583 0.981,584 1.128,585 4.533,586 20.544,587 0.641,588 3.497,589 3.761,590 3.932,591 4.007,592 4.007,593 3.951,594 3.97,595 4.025,596 4.078,597 3.951,598 9.904,599 0.588,600 405.64,601 3.497,602 5.004,603 5.826,604 6.671,605 7.517,606 8.376,607 9.238,608 10.109,609 10.983,610 11.865,611 4.6,612 1,617 1,619 1,623 9,628 3,630 12,638 65,639 14,640 2,641 32,642 67,643 26,644 12,645 3,646 9,648 3,649 3,653 1,654 1,655 2,657 11,659 14,660 12,662 2,663 1,664 1,667 2,670 35,671 4,672 4,673 4,677 3,679 1,681 1,682 1,690 1,693 2,700 1,704 1,710 3,715 30,716 1,718 11,719 1,723 1,731 1.5,734 1,737 15.417,738 11,739 6.833,740 4.354,741 1.975,742 1.284,743 0.955,744 8.363,745 8.94,746 3.714,747 4.174,748 4.575,749 4.952,750 5.288,751 5.151,752 5.329,753 5.509,754 5.584,755 5.5,756 0.909,757 40,758 11.17,759 4.67,760 7.586,761 22.07,762 18.404,763 2.086,764 62.583,768 364.904,769 129.327,770 82.58,772 25.145,774 129.327,775 390.049,776 82.58,778 78.788,779 85.286,780 32.177,781 40.8,783 364.904,785 364.904,786 211.906,787 25.145,790 364.904,791 25.145,793 110.46,794 101.447,797 364.904,798 107.725,799 129.327,801 364.904,802 44.04,803 85.286,804 18.011,805 89.714,806 364.904,807 107.725,808 129.327,810 0.566,811 0.315,812 0.153,813 0.068,814 17,815 7,816 0.194,817 13,819 1,820 4.545,821 227.827,823 15,824 137.207,826 22.401,827 11.2,828 7.178,830 107.725,831 18.848,836 3.546,838 82.58,839 601.956,840 40,841 7.6,842 12.302,845 -0.167,846 63.77,847 73.348,848 0.217,849 0.508,850 0.622,851 0.753,852 0.807,853 0.826,854 4.927,855 1.452,856 5.796,857 3.594,858 4.443,859 4.86,860 2.348,861 6.608,862 4.428,863 6.097,864 1.399,865 7.368,866 3.305,867 4.111,868 4.559,869 1.854,870 8.052,871 4.09,872 7.394,873 1.033,874 9.086,875 2.943,876 6.098,877 6.893,878 3.293,879 11.112,880 6.073,881 8.736,882 1,883 10.91,884 2.275,885 6.711,886 7.4,887 3.33,888 13.517,889 6.684,890 10.123,891 1,892 12.81,893 2.165,894 8.202,895 9.24,896 4.477,897 16.285,898 8.171,899 11.543,900 0.551,901 14.765,902 2.136,903 9.235,904 10.114,905 4.797,906 18.923,907 9.204,908 12.989,909 0.142,910 16.759,911 1.182,912 10.573,913 11.736,914 5.771,915 21.64,916 10.538,917 3.665,918 -0.097,919 18.779,920 0.326,921 11.773,922 12.796,923 6.251,924 24.329,925 11.736,926 2.66,927 14.927,928 20.817,929 -0.227,930 13.072,931 14.304,932 7.118,933 27.035,934 13.032,935 2.522,936 7.498,937 22.867,938 3.911,939 14.333,940 15.471,941 7.691,942 29.735,943 14.291,944 2.255,945 6.965,946 24.926,947 3.626,948 15.626,949 16.913,950 8.492,951 32.439,952 15.581,953 1.879,954 6.568,955 26.989,956 3.444,957 16.91,958 18.145,959 9.119,960 35.141,961 16.862,962 1.708,963 4.554,964 29.056,965 2.805,966 18.204,967 19.548,968 9.881,969 37.844,970 18.152,971 1.607,972 3.783,973 31.126,974 2.282,975 19.496,976 20.822,977 10.539,978 40.547,979 19.442,980 15315,981 22092,982 21.435,983 41.654,984 46.315,985 46.594,986 48.053,987 45.762,988 45.747,989 56.372,990 6.881,991 124.441,992 45.408,993 5.708,994 6.226,995 7.87,996 5.689,997 5.665,998 6.911,999 3.577,1000 22.505,1001 5.652,1002 13.172,1003 1.447,1004 1.456,1005 1.502,1006 1.43,1007 1.43,1008 1.762,1009 0.215,1010 3.889,1011 1.419,1012 4.018,1013 4.056,1014 3.95,1015 3.925,1016 7.428,1017 3.924,1018 3.928,1019 3.965,1020 3.844,1021 3.862,1022 5.873,1023 3.854,1024 3.896,1025 3.933,1026 3.818,1027 3.822,1028 4.795,1029 3.817,1030 3.745,1031 3.804,1032 3.589,1033 3.635,1034 4.76,1035 3.616,1036 3.556,1037 3.624,1038 3.389,1039 3.432,1040 4.736,1041 3.412,1042 3.334,1043 3.407,1044 3.188,1045 3.188,1046 4.194,1047 3.171,1048 3.222,1049 3.336,1050 3.083,1051 2.961,1052 4.151,1053 2.963,1054 3.162,1055 3.227,1056 3.015,1057 2.9,1058 4.022,1059 2.932,1060 0.148,1061 0.132,1062 0.249,1063 0.146,1064 0.115,1065 4.751,1066 0.122,1067 4.226,1068 0.063,1069 7.96,1070 0.466,1071 4.662,1072 0.114,1073 3.665,1074 3.911,1075 2.022,1076 14.927,1077 3.652,1078 1.938,1079 1.906,1080 2.097,1081 2.037,1082 1.431,1083 2.057,1084 1.927,1085 1.896,1086 2.065,1087 2.016,1088 1.315,1089 2.035,1090 1.769,1091 1.711,1092 1.983,1093 1.913,1094 1.173,1095 1.941,1096 1.595,1097 1.539,1098 1.84,1099 1.783,1100 1.044,1101 1.793,1102 1.526,1103 1.481,1104 1.664,1105 1.723,1106 0.896,1107 1.721,1108 1.343,1109 1.272,1110 1.618,1111 1.541,1112 0.826,1113 1.573,1114 1.153,1115 1.064,1116 1.513,1117 1.411,1118 0.825,1119 1.429,1120 1.12,1121 1.045,1122 1.418,1123 1.376,1124 0.665,1125 1.397,1126 4.174,1127 1.946,1128 5.451,1129 3.932,1130 6.932,1131 5.938,1132 8.514,1133 7.91,1134 10.154,1138 5.571,1140 12.73,1141 2.905,1145 -0.75,1148 38.208,1149 84.963,1150 199.004,1151 243.501,1152 294.725,1153 315.944,1154 323.454,1155 69.141,1156 6.964,1157 78.97,1158 78.97,1159 15,1160 12.403,1161 3.907,1162 3.17,1163 56.217,1164 181,1165 162,1166 0.144,1167 238.951,1168 420.15,1169 574.801,1170 11644,1172 21.236,1173 0.708,1174 0.599,1175 21.236,1176 17.96,1177 14.599,1178 0.456,1179 0.356,1180 11.34,1181 14.398,1182 11.087,1183 9.258,1184 14.599,1185 11.389,1186 12.468,1187 0.297,1188 0.205,1189 12.468,1190 8.607,1191 9.811,1192 0.196,1193 0.119,1194 9.811,1195 5.936,1196 7.355,1197 0.136,1198 0.071,1199 7.355,1200 3.811,1201 4.783,1202 0.089,1203 0.043,1204 4.783,1205 2.345,1206 0.246,1207 89.157,1208 0.216,1209 30.151,1210 0.348,1211 148,1212 315.714,1213 154.377,1214 320.466,1215 436.59,1216 298,1217 169,1218 317.862,1219 175.489,1220 328.586,1221 472.64,1222 310,1223 6.301} {0 CHEMBL1774558,1 1.32,2 15.862,3 5.832,4 34.016,5 118.703,6 6.316,7 0.387,8 4.169,9 4.313,10 3.579,11 3.736,12 5.161,13 3.668,14 4.701,15 4.898,16 3.838,17 4.108,18 5.616,19 3.989,20 5.019,21 5.276,22 3.914,23 4.219,24 5.9,25 4.077,26 5.074,27 5.353,28 3.736,29 4.171,30 6.057,31 3.991,32 5.003,33 5.303,34 3.624,35 4.1,36 5.776,37 3.911,38 4.859,39 5.131,40 3.592,41 4.052,42 5.644,43 3.871,44 4.855,45 5.145,46 3.479,47 3.992,48 5.623,49 3.792,50 4.771,51 5.071,52 3.343,53 3.871,54 5.508,55 3.668,56 0.077,57 0.867,58 14.647,59 6.135,60 11.235,61 8.764,62 0.188,63 1.357,64 24.913,65 10.58,66 28.173,67 15.071,68 0.231,69 1.71,70 34.534,71 12.835,72 31.948,73 19.009,74 0.486,75 1.716,76 36.967,77 13.077,78 90.176,79 19.336,80 0.271,81 1.533,82 33.736,83 12.915,84 47.071,85 18.805,86 0.178,87 1.411,88 28.961,89 11.65,90 31.349,91 16.948,92 0.182,93 1.393,94 28.858,95 11.175,96 32.851,97 16.607,98 0.198,99 1.238,100 26.615,101 10.147,102 32.531,103 14.993,104 11,105 41,106 0.214,107 0.504,108 0.617,109 0.743,110 0.787,111 0.793,112 3.406,113 1.054,114 -5.56,115 -5.43,116 -5.07,117 40.3,119 10,121 1,130 9,131 2,132 1,142 2,146 1,147 1,148 1,151 22,153 1,154 1,155 1,156 5,157 1,158 22,159 1,161 2,165 8,167 20,168 2,170 2,171 1,172 2,173 2,174 1,175 1,176 17,179 2,183 1,185 20,188 1,191 5,193 18,194 2,196 1,199 5,200 15,201 2,203 1,205 3,206 14,207 1,209 1,213 3,214 13,215 1,216 1584,217 19.689,218 19.689,219 19.689,220 19.689,221 19.689,222 17.929,223 18.237,224 12.025,225 19.769,226 15.266,227 15.266,228 15.266,229 15.266,230 15.266,231 12.658,232 17.877,233 5.702,234 15.38,235 4.634,236 2.843,237 2.15,238 1.367,239 1.097,240 1.065,241 4.082,245 1,246 978,247 4.416,248 68.477,251 244.431,256 2.704,257 21.513,259 0.75,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.82,267 60.5,268 460,269 4.751,270 4.226,271 7.96,272 4.662,273 3.665,274 3.911,275 2.022,276 14.927,277 3.652,278 4.039,279 3.073,280 5.555,281 3.648,282 2.66,283 3.626,284 1.252,285 7.498,286 2.629,287 3.896,288 2.771,289 5.34,290 3.522,291 2.522,292 3.444,293 0.167,294 6.965,295 2.522,296 3.537,297 2.718,298 5.275,299 3.235,300 2.254,301 2.805,303 6.568,304 2.204,305 3.178,306 2.347,307 4.953,308 2.851,309 1.851,310 2.282,312 4.554,313 1.85,314 2.969,315 1.988,316 4.5,317 2.693,318 1.702,319 2.121,321 3.733,322 1.679,323 2.825,324 1.849,325 3.88,326 2.562,327 1.565,328 1.839,330 3.592,331 1.56,332 2.779,333 1.621,334 3.665,335 2.422,336 1.444,337 1.734,339 3.233,340 1.401,341 2.5,342 1.363,343 3.456,344 2.329,345 1.327,346 1.5,347 2.787,348 1.328,349 2.5,350 1,351 3.414,352 2,353 1,354 1.5,355 2.275,356 1,357 2.451,358 1,359 3.247,360 2,361 1,362 1.447,363 2.136,364 1,365 1.957,366 0.925,367 3.149,368 1.864,369 0.865,370 0.923,371 1.831,372 0.864,373 1.491,374 0.645,375 3,376 1.341,377 0.344,378 0.376,379 0.761,380 0.343,381 1.209,382 0.385,383 2.988,384 1.005,385 0.023,386 0.026,387 0.055,388 0.023,389 1,390 0.21,391 2.61,392 0.783,393 -0.219,394 -0.241,395 -0.502,396 -0.219,397 14.033,398 0.484,399 0.573,400 0.02,401 32.25,402 1.112,403 15.5,404 0.534,405 16.75,406 0.578,407 27.203,408 0.938,409 32.167,410 0.519,411 21.45,412 0.74,413 5.651,414 0.195,415 8.448,416 0.291,417 0.081,418 0.036,419 0.178,420 0.861,421 1.122,422 0.999,423 1.06,424 0.771,425 1.037,426 0.471,427 1.232,428 1.038,429 1.249,430 0.481,431 1.203,432 0.957,433 1.185,434 0.968,435 1.098,436 0.962,437 1.043,438 1.224,439 0.91,440 1.13,441 1.01,442 1.156,443 1.054,444 1.048,445 0.803,446 0.884,447 0.845,448 1.023,449 0.857,450 0.7,451 1.06,452 0.983,453 1.08,454 0.652,455 1.063,456 0.609,457 1.055,458 0.995,459 1.073,460 0.588,461 1.064,462 0.848,463 0.908,464 0.96,465 0.949,466 0.861,467 0.962,468 5.5,469 0.111,470 2.333,471 1.701,472 0.808,473 0.57,474 0.334,475 0.254,476 0.187,477 0.096,478 14248,479 29628,480 2.045,481 53.2,482 20,483 9,486 4,490 1.707,491 1.944,492 3.905,493 1.527,497 81.844,498 1.32,499 3.111,500 3.804,501 4.587,502 4.857,503 4.89,504 3.345,505 4.444,506 4.829,507 4.147,508 1683.85,509 8.34,510 26679.9,513 369.16,514 1.313,515 4.797,516 0.177,517 0.006,518 0.061,519 0.044,520 0.027,521 0.02,522 0.012,523 0.011,524 0.009,525 0.005,526 0.371,528 0.75,529 0.674,530 155.919,531 -0.078,532 0.121,533 0.016,534 0.091,535 -0.051,536 0.068,537 0.195,538 -0.123,539 -0.059,540 -0.144,541 0.12,542 -0.129,543 0.04,544 -0.17,545 0.024,546 -0.097,547 -0.003,548 -0.047,549 0.095,550 0.078,551 -0.12,552 -0.061,553 0.134,554 -0.101,555 -0.034,556 0.104,557 0.087,558 0.127,559 -0.015,560 0.118,562 -0.094,563 -0.027,564 -0.061,565 0.022,566 -0.051,567 0.006,568 -0.092,569 -0.045,570 -0.086,571 0.004,572 -0.071,573 -0.035,574 0.023,576 0.021,577 -0.062,578 0.015,579 2,580 5.291,581 0.517,582 39.263,583 0.982,584 1.128,585 4.328,586 18.733,587 0.643,588 3.466,589 3.738,590 3.912,591 3.989,592 3.989,593 3.932,594 3.951,595 4.007,596 4.06,597 3.932,598 9.44,599 0.592,600 391.61,601 3.466,602 4.977,603 5.802,604 6.65,605 7.499,606 8.361,607 9.225,608 10.099,609 10.974,610 11.858,611 4.8,612 1,617 1,619 1,623 9,628 3,630 12,638 62,639 14,640 2,641 31,642 64,643 25,644 12,645 3,646 9,648 3,649 3,653 1,654 1,655 2,657 10,659 14,660 11,662 2,663 1,664 1,667 2,670 33,671 4,672 4,673 4,677 3,679 1,681 1,682 1,690 1,693 2,700 1,704 1,710 3,715 29,716 1,718 10,719 1,723 1,731 1.6,734 1,737 14.917,738 10.5,739 6.583,740 4.104,741 2.003,742 1.29,743 0.957,744 7.742,745 8.916,746 3.689,747 4.159,748 4.564,749 4.945,750 5.283,751 5.146,752 5.324,753 5.505,754 5.58,755 5.496,756 1,757 39,758 10.791,759 4.527,760 7.606,761 21.254,762 17.737,763 2.106,764 61.083,768 341.362,769 126.792,770 82.58,772 25.145,774 126.792,775 366.507,776 82.58,778 76.253,779 85.286,780 32.177,781 40.8,783 341.362,785 341.362,786 209.372,787 25.145,790 341.362,791 25.145,793 107.925,794 101.447,797 341.362,798 107.725,799 126.792,801 341.362,802 41.506,803 85.286,804 18.011,805 89.714,806 341.362,807 107.725,808 126.792,810 0.568,811 0.317,812 0.154,813 0.068,814 17,815 7,816 0.188,817 12,819 1,820 4.425,821 219.659,823 15,824 130.881,826 21.424,827 10.479,828 6.627,830 107.725,831 18.807,836 3.533,838 82.58,839 575.879,840 39,841 7.594,842 12.291,845 -0.17,846 60.887,847 69.932,848 0.222,849 0.523,850 0.639,851 0.77,852 0.816,853 0.821,854 4.905,855 1.444,856 5.778,857 3.592,858 4.419,859 4.844,860 2.348,861 6.597,862 4.404,863 6.081,864 1.327,865 7.356,866 3.233,867 4.111,868 4.559,869 1.854,870 8.052,871 4.09,872 7.382,873 1,874 9.078,875 2.787,876 6.084,877 6.887,878 3.293,879 11.111,880 6.059,881 8.727,882 1,883 10.905,884 2.275,885 6.711,886 7.4,887 3.33,888 13.517,889 6.684,890 10.117,891 0.865,892 12.807,893 2.136,894 8.197,895 9.238,896 4.477,897 16.285,898 8.166,899 11.539,900 0.344,901 14.764,902 1.831,903 9.235,904 10.114,905 4.797,906 18.923,907 9.204,908 12.987,909 0.023,910 16.758,911 0.761,912 10.571,913 11.735,914 5.771,915 21.64,916 10.536,917 3.665,918 -0.219,919 18.779,920 0.055,921 11.773,922 12.796,923 6.251,924 24.329,925 11.736,926 2.66,927 14.927,928 20.817,929 -0.502,930 13.071,931 14.304,932 7.118,933 27.035,934 13.032,935 2.522,936 7.498,937 22.867,938 3.911,939 14.333,940 15.471,941 7.691,942 29.735,943 14.291,944 2.254,945 6.965,946 24.926,947 3.626,948 15.626,949 16.913,950 8.492,951 32.439,952 15.581,953 1.851,954 6.568,955 26.989,956 3.444,957 16.91,958 18.145,959 9.119,960 35.141,961 16.862,962 1.702,963 4.554,964 29.056,965 2.805,966 18.204,967 19.548,968 9.881,969 37.844,970 18.152,971 1.565,972 3.733,973 31.126,974 2.282,975 19.496,976 20.822,977 10.539,978 40.547,979 19.442,980 13673,981 19898,982 20.742,983 39.893,984 45.034,985 45.299,986 46.697,987 44.447,988 44.448,989 55.068,990 6.881,991 121.83,992 44.11,993 5.702,994 6.226,995 7.85,996 5.689,997 5.665,998 6.911,999 3.577,1000 22.505,1001 5.652,1002 12.811,1003 1.453,1004 1.461,1005 1.506,1006 1.434,1007 1.434,1008 1.776,1009 0.222,1010 3.93,1011 1.423,1012 4.018,1013 4.056,1014 3.95,1015 3.924,1016 7.428,1017 3.923,1018 3.927,1019 3.965,1020 3.844,1021 3.862,1022 5.873,1023 3.853,1024 3.895,1025 3.931,1026 3.818,1027 3.822,1028 4.795,1029 3.817,1030 3.725,1031 3.784,1032 3.569,1033 3.614,1034 4.76,1035 3.595,1036 3.51,1037 3.579,1038 3.344,1039 3.383,1040 4.736,1041 3.363,1042 3.277,1043 3.353,1044 3.153,1045 3.117,1046 4.182,1047 3.105,1048 3.218,1049 3.328,1050 3.067,1051 2.904,1052 4.148,1053 2.932,1054 3.119,1055 3.182,1056 2.965,1057 2.893,1058 3.993,1059 2.907,1060 0.153,1061 0.136,1062 0.257,1063 0.15,1064 0.118,1065 4.751,1066 0.126,1067 4.226,1068 0.065,1069 7.96,1070 0.482,1071 4.662,1072 0.118,1073 3.665,1074 3.911,1075 2.022,1076 14.927,1077 3.652,1078 1.939,1079 1.907,1080 2.097,1081 2.038,1082 1.424,1083 2.057,1084 1.926,1085 1.895,1086 2.06,1087 2.013,1088 1.291,1089 2.031,1090 1.75,1091 1.693,1092 1.965,1093 1.896,1094 1.143,1095 1.923,1096 1.565,1097 1.518,1098 1.8,1099 1.771,1100 1.007,1101 1.764,1102 1.506,1103 1.45,1104 1.647,1105 1.69,1106 0.854,1107 1.706,1108 1.271,1109 1.199,1110 1.564,1111 1.488,1112 0.825,1113 1.51,1114 1.153,1115 1.064,1116 1.513,1117 1.378,1118 0.799,1119 1.429,1120 1.067,1121 0.992,1122 1.337,1123 1.376,1124 0.567,1125 1.365,1126 4.143,1127 1.946,1128 5.425,1129 3.932,1130 6.913,1131 5.938,1132 8.5,1133 7.91,1134 10.145,1138 5.567,1140 11.311,1141 2.901,1145 -0.75,1148 36.681,1149 81.844,1150 192.908,1151 235.876,1152 284.405,1153 301.16,1154 303.16,1155 65.254,1156 6.913,1157 78.97,1158 78.97,1159 15,1160 12.394,1161 3.907,1162 3.17,1163 53.301,1164 166,1165 150,1166 0.149,1167 229.359,1168 402.85,1169 551.395,1170 10641,1172 20.529,1173 0.708,1174 0.595,1175 20.529,1176 17.253,1177 14.099,1178 0.455,1179 0.351,1180 10.84,1181 13.898,1182 10.596,1183 8.842,1184 14.099,1185 10.889,1186 12.114,1187 0.295,1188 0.201,1189 12.114,1190 8.254,1191 9.561,1192 0.195,1193 0.116,1194 9.561,1195 5.686,1196 7.179,1197 0.135,1198 0.069,1199 7.179,1200 3.634,1201 4.658,1202 0.088,1203 0.042,1204 4.658,1205 2.22,1206 0.253,1207 86.157,1208 0.22,1209 29.2,1210 0.363,1211 144,1212 311.714,1213 150.377,1214 316.304,1215 430.83,1216 294,1217 165,1218 313.862,1219 171.489,1220 324.424,1221 466.88,1222 306,1223 5.886} {0 CHEMBL1774559,1 1.354,2 15.862,3 4.803,4 23.07,5 117.23,6 6.055,7 0.194,8 4.235,9 4.38,10 3.606,11 3.747,12 5.157,13 3.681,14 4.82,15 5.025,16 3.872,17 4.142,18 5.665,19 4.021,20 5.15,21 5.416,22 3.954,23 4.268,24 5.969,25 4.119,26 5.202,27 5.492,28 3.775,29 4.192,30 6.131,31 4.012,32 5.055,33 5.355,34 3.647,35 4.075,36 5.819,37 3.899,38 4.885,39 5.152,40 3.609,41 4.041,42 5.658,43 3.869,44 4.918,45 5.21,46 3.502,47 4.013,48 5.65,49 3.812,50 4.865,51 5.172,52 3.38,53 3.904,54 5.554,55 3.694,56 0.084,57 0.923,58 16.432,59 6.679,60 9.788,61 9.584,62 0.258,63 1.448,64 28.946,65 11.446,66 30.489,67 16.416,68 0.309,69 1.792,70 39.564,71 13.669,72 33.156,73 20.709,74 0.621,75 1.718,76 41.877,77 13.469,78 95.078,79 20.361,80 0.385,81 1.458,82 35.378,83 12.251,84 48.952,85 18.156,86 0.241,87 1.371,88 29.92,89 11.247,90 31.826,91 16.559,92 0.227,93 1.385,94 30.519,95 11.186,96 32.33,97 16.905,98 0.23,99 1.25,100 28.757,101 10.388,102 31.63,103 15.669,104 11,105 41,106 0.219,107 0.483,108 0.639,109 0.792,110 0.839,111 0.839,112 3.406,113 1.106,114 -4.8,115 -4.71,116 -4.43,117 36.4,119 12,120 1,121 1,123 2,130 4,131 1,132 1,142 2,146 1,147 1,148 1,151 18,153 3,154 1,155 1,156 5,157 1,158 16,159 1,161 5,165 8,167 12,168 2,170 5,171 1,172 2,173 2,174 1,175 1,176 9,179 4,183 1,185 14,188 2,191 5,193 14,194 2,196 2,199 5,200 11,201 2,203 3,205 3,206 9,207 1,209 3,213 3,214 9,215 1,216 1584,217 19.689,218 19.689,219 19.689,220 19.689,221 19.689,222 18.68,223 18.913,224 12.025,225 19.904,226 15.266,227 15.266,228 15.266,229 15.266,230 15.266,231 13.702,232 19.895,233 5.702,234 15.579,235 4.69,236 3.056,237 2.087,238 1.14,239 0.848,240 0.848,241 4.082,244 1,245 1,246 978,247 4.416,248 68.477,251 244.431,256 2.704,257 24.756,259 1,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.86,267 61.5,268 460,269 4.751,270 4.226,271 7.96,272 4.662,273 3.665,274 3.911,275 2.022,276 14.927,277 3.652,278 4.039,279 3.073,280 5.555,281 3.648,282 2.66,283 3.626,284 1.252,285 7.498,286 2.629,287 3.537,288 2.771,289 5.34,290 3.509,291 2.522,292 2.805,293 0.86,294 6.965,295 2.491,296 3.522,297 2.658,298 5.275,299 3.235,300 2.254,301 2.522,302 0.167,303 6.568,304 2.204,305 3.178,306 2.348,307 4.953,308 2.823,309 1.851,310 2.282,312 4.554,313 1.801,314 2.858,315 2.151,316 4.5,317 2.686,318 1.702,319 1.86,321 3.733,322 1.668,323 2.782,324 1.988,325 3.88,326 2.535,327 1.565,328 1.735,330 3.592,331 1.514,332 2.578,333 1.685,334 3.665,335 2.422,336 1.444,337 1.577,339 3.233,340 1.4,341 2.5,342 1.429,343 3.456,344 2.297,345 1.327,346 1.5,347 2.787,348 1.277,349 2.358,350 1.057,351 3.414,352 2,353 1,354 1.355,355 2.275,356 1,357 2,358 1,359 3.247,360 2,361 1,362 1,363 2.136,364 1,365 1.909,366 1,367 3.149,368 1.808,369 0.865,370 0.89,371 1.831,372 0.807,373 1.46,374 0.702,375 3,376 1.313,377 0.344,378 0.365,379 0.761,380 0.331,381 1.169,382 0.465,383 2.988,384 0.991,385 0.023,386 0.026,387 0.055,388 0.023,389 1,390 0.259,391 2.61,392 0.776,393 -0.219,394 -0.236,395 -0.502,396 -0.215,397 13.867,398 0.478,399 0.573,400 0.02,401 26.75,402 0.922,403 9.5,404 0.328,405 17.25,406 0.595,407 31.455,408 1.085,409 34.133,410 0.517,411 17.199,412 0.593,413 4.168,414 0.144,415 9.931,416 0.342,417 0.082,418 0.036,419 0.18,420 0.866,421 1.281,422 1.037,423 1.216,424 0.766,425 1.148,426 0.845,427 1.268,428 1.097,429 1.278,430 0.541,431 1.233,432 0.984,433 1.217,434 0.981,435 1.134,436 0.912,437 1.069,438 1.329,439 0.867,440 1.087,441 0.946,442 1.132,443 0.986,444 1.287,445 0.762,446 0.897,447 0.784,448 1.097,449 0.806,450 0.92,451 1.081,452 1.026,453 1.085,454 0.716,455 1.077,456 0.656,457 1.085,458 0.997,459 1.095,460 0.582,461 1.083,462 0.703,463 0.955,464 0.916,465 0.989,466 0.769,467 0.976,468 5.5,469 0.111,470 2.333,471 1.701,472 0.808,473 0.57,474 0.334,475 0.254,476 0.187,477 0.096,478 14248,479 26929,480 2.045,481 56.1,482 22,483 8,486 4,488 3,490 1.707,491 1.944,492 3.905,493 1.561,497 89.386,498 1.354,499 2.988,500 3.958,501 4.905,502 5.196,503 5.196,504 3.345,505 4.444,506 4.829,507 4.147,508 1683.85,509 8.34,510 26679.9,513 398.93,514 1.313,515 4.797,516 0.177,517 0.006,518 0.061,519 0.044,520 0.027,521 0.02,522 0.012,523 0.011,524 0.009,525 0.005,526 0.371,528 0.88,529 0.674,530 155.919,531 -0.047,532 0.071,533 0.029,534 0.051,535 -0.034,536 0.053,537 0.067,538 -0.108,539 -0.076,540 -0.12,541 0.095,542 -0.12,543 0.01,544 -0.194,545 0.017,546 -0.117,547 0.013,548 -0.059,549 0.02,550 0.087,551 -0.068,552 -0.018,553 0.133,554 -0.049,555 -0.083,556 0.137,557 0.089,558 0.166,559 -0.029,560 0.148,561 -0.058,562 -0.073,563 -0.052,564 -0.039,565 0.009,566 -0.047,567 -0.011,568 -0.098,569 -0.052,570 -0.088,571 0.013,572 -0.077,573 0.009,574 -0.019,575 0.023,576 -0.015,577 -0.011,578 0.004,579 2.001,580 5.29,581 0.517,582 39.263,583 0.985,584 1.136,585 3.573,586 12.765,587 0.619,588 3.466,589 3.738,590 3.912,591 3.989,592 3.989,593 3.932,594 3.951,595 4.007,596 4.06,597 3.932,598 9.44,599 0.567,600 399.64,601 3.466,602 4.977,603 5.802,604 6.65,605 7.499,606 8.361,607 9.225,608 10.099,609 10.974,610 11.858,611 4.5,612 1,617 1,619 1,623 4,628 2,630 6,638 66,639 8,640 1,641 31,642 68,643 24,644 6,645 2,646 4,648 3,649 3,653 1,654 1,655 7,656 1,657 12,659 8,660 16,661 1,662 2,663 1,664 1,667 2,670 37,671 5,672 4,673 5,677 3,679 1,681 1,682 2,690 1,693 2,700 1,704 1,709 1,710 3,715 29,716 1,718 14,719 1,720 1,721 1,723 1,731 3,734 1,735 1,737 14.917,738 11.083,739 6.583,740 4.535,741 1.199,742 1.173,743 0.936,744 8.409,745 8.111,746 3.611,747 4.016,748 4.36,749 4.681,750 4.949,751 4.957,752 5.168,753 5.376,754 5.462,755 5.367,756 1,757 39,758 10.848,759 4.574,760 7.578,761 21.61,762 18.337,763 2.078,764 60.25,768 388.446,769 90.479,770 82.58,772 36.145,774 90.479,775 424.591,776 82.58,778 90.507,779 37.905,780 43.177,781 37.614,783 388.446,785 388.446,786 173.059,787 36.145,790 353.133,791 60.458,792 11,793 122.179,794 50.88,797 388.446,798 118.725,799 90.479,801 388.446,802 52.574,803 37.905,804 18.011,805 100.714,806 388.446,807 118.725,808 90.479,810 0.568,811 0.317,812 0.154,813 0.068,814 17,815 7,816 0.176,817 12,819 1,820 4.425,821 219.659,823 15,824 130.881,826 22.147,827 11.011,828 7.025,830 118.725,831 8.053,836 2.075,838 82.58,839 597.65,840 36,841 7.593,842 12.29,845 -0.172,846 64.981,847 74.972,848 0.224,849 0.494,850 0.655,851 0.811,852 0.86,853 0.86,854 4.848,855 1.444,856 5.778,857 3.592,858 4.419,859 4.7,860 2.48,861 6.597,862 4.386,863 5.997,864 1.327,865 7.356,866 3.233,867 4.111,868 4.477,869 1.854,870 8.052,871 4.09,872 7.293,873 1,874 9.078,875 2.787,876 6.084,877 6.661,878 3.333,879 11.111,880 6.038,881 8.634,882 1,883 10.905,884 2.275,885 6.711,886 7.283,887 3.33,888 13.517,889 6.681,890 10.025,891 0.865,892 12.807,893 2.136,894 8.197,895 8.994,896 4.486,897 16.285,898 8.152,899 11.45,900 0.344,901 14.764,902 1.831,903 9.235,904 9.98,905 4.797,906 18.923,907 9.2,908 12.904,909 0.023,910 16.758,911 0.761,912 10.571,913 11.51,914 5.773,915 21.64,916 10.529,917 3.665,918 -0.219,919 18.779,920 0.055,921 11.773,922 12.663,923 6.251,924 24.329,925 11.734,926 2.66,927 14.927,928 20.817,929 -0.502,930 13.071,931 14.111,932 7.119,933 27.035,934 13.028,935 2.522,936 7.498,937 22.867,938 3.911,939 14.333,940 15.348,941 7.691,942 29.735,943 14.289,944 2.254,945 6.965,946 24.926,947 3.626,948 15.626,949 16.754,950 8.492,951 32.439,952 15.579,953 1.851,954 6.568,955 26.989,956 2.805,957 16.91,958 18.036,959 9.119,960 35.141,961 16.86,962 1.702,963 4.554,964 29.056,965 2.522,966 18.204,967 19.419,968 9.881,969 37.844,970 18.151,971 1.565,972 3.733,973 31.126,974 2.282,975 19.496,976 20.728,977 10.539,978 40.547,979 19.441,980 13673,981 19051,982 20.742,983 40.87,984 44.763,985 45.643,986 46.697,987 44.401,988 44.448,989 50.905,990 8.601,991 121.83,992 43.595,993 5.751,994 6.226,995 7.85,996 5.701,997 5.665,998 6.911,999 3.577,1000 22.505,1001 5.652,1002 12.811,1003 1.444,1004 1.472,1005 1.506,1006 1.432,1007 1.434,1008 1.642,1009 0.277,1010 3.93,1011 1.406,1012 4.017,1013 4.055,1014 3.948,1015 3.919,1016 7.428,1017 3.919,1018 3.904,1019 3.949,1020 3.82,1021 3.822,1022 5.873,1023 3.817,1024 3.881,1025 3.928,1026 3.746,1027 3.773,1028 4.794,1029 3.758,1030 3.707,1031 3.768,1032 3.549,1033 3.581,1034 4.746,1035 3.564,1036 3.46,1037 3.52,1038 3.305,1039 3.279,1040 4.587,1041 3.273,1042 3.285,1043 3.357,1044 3.146,1045 3.114,1046 4.206,1047 3.1,1048 3.221,1049 3.334,1050 3.07,1051 2.941,1052 4.154,1053 2.937,1054 3.149,1055 3.215,1056 2.993,1057 2.923,1058 4.079,1059 2.93,1060 0.153,1061 0.136,1062 0.257,1063 0.15,1064 0.118,1065 4.751,1066 0.126,1067 4.226,1068 0.065,1069 7.96,1070 0.482,1071 4.662,1072 0.118,1073 3.665,1074 3.911,1075 2.022,1076 14.927,1077 3.652,1078 1.936,1079 1.905,1080 2.111,1081 2.039,1082 1.507,1083 2.064,1084 1.887,1085 1.835,1086 2.076,1087 2.028,1088 1.383,1089 2.046,1090 1.725,1091 1.667,1092 1.953,1093 1.892,1094 1.175,1095 1.916,1096 1.544,1097 1.505,1098 1.725,1099 1.765,1100 0.976,1101 1.743,1102 1.433,1103 1.373,1104 1.639,1105 1.657,1106 0.923,1107 1.67,1108 1.286,1109 1.214,1110 1.588,1111 1.503,1112 0.829,1113 1.532,1114 1.153,1115 1.064,1116 1.513,1117 1.405,1118 0.825,1119 1.429,1120 1.153,1121 1.064,1122 1.513,1123 1.376,1124 0.825,1125 1.429,1126 4.143,1127 1.946,1128 5.425,1129 3.932,1130 6.913,1131 5.938,1132 8.5,1133 7.91,1134 10.145,1138 5.566,1140 16.013,1141 2.899,1142 5.87,1143 0.814,1145 -0.751,1148 37.449,1149 89.386,1150 197.24,1151 261.213,1152 323.711,1153 342.93,1154 342.93,1155 69.949,1156 6.913,1157 88.2,1158 88.2,1159 15,1160 12.394,1161 3.17,1162 2.585,1163 53.301,1164 166,1165 150,1166 0.149,1167 232.545,1168 413.16,1169 559.169,1170 10641,1172 20.529,1173 0.708,1174 0.61,1175 20.529,1176 17.68,1177 14.099,1178 0.455,1179 0.369,1180 11.339,1181 13.757,1182 11.114,1183 9.227,1184 14.099,1185 11.427,1186 12.114,1187 0.295,1188 0.217,1189 12.114,1190 8.89,1191 9.561,1192 0.195,1193 0.127,1194 9.561,1195 6.244,1196 7.179,1197 0.135,1198 0.078,1199 7.179,1200 4.115,1201 4.658,1202 0.088,1203 0.05,1204 4.658,1205 2.626,1206 0.253,1207 87.157,1208 0.22,1209 29.2,1210 0.363,1211 144,1212 323.449,1213 153.256,1214 315.146,1215 423.2,1216 294,1217 165,1218 299.498,1219 174.479,1220 306.025,1221 443.72,1222 288,1223 6.409} {0 CHEMBL1774560,1 1.341,2 16.667,3 5.259,4 27.66,5 121.831,6 5.995,7 0.188,8 4.276,9 4.422,10 3.638,11 3.787,12 5.186,13 3.718,14 4.865,15 5.072,16 3.899,17 4.183,18 5.696,19 4.058,20 5.197,21 5.466,22 3.98,23 4.31,24 5.999,25 4.156,26 5.247,27 5.539,28 3.806,29 4.237,30 6.158,31 4.053,32 5.106,33 5.409,34 3.682,35 4.126,36 5.855,37 3.945,38 4.946,39 5.217,40 3.645,41 4.094,42 5.7,43 3.917,44 4.977,45 5.271,46 3.542,47 4.068,48 5.691,49 3.862,50 4.929,51 5.238,52 3.416,53 3.967,54 5.6,55 3.754,56 0.089,57 0.962,58 17.243,59 7.028,60 10.212,61 10.089,62 0.266,63 1.511,64 30.305,65 12.017,66 30.882,67 17.253,68 0.32,69 1.869,70 41.304,71 14.38,72 34.293,73 21.763,74 0.627,75 1.795,76 43.507,77 14.17,78 95.476,79 21.39,80 0.389,81 1.535,82 36.986,83 12.951,84 49.095,85 19.182,86 0.25,87 1.448,88 31.644,89 11.965,90 32.639,91 17.619,92 0.235,93 1.462,94 32.195,95 11.898,96 32.732,97 17.943,98 0.26,99 1.326,100 30.507,101 11.074,102 32.326,103 16.648,104 11,105 42,106 0.215,107 0.469,108 0.622,109 0.776,110 0.834,111 0.843,112 3.439,113 1.118,114 -5.01,115 -4.91,116 -4.6,117 36.2,119 13,120 1,121 1,123 2,130 4,131 1,132 1,142 2,146 1,147 1,148 1,151 19,153 3,154 1,155 1,156 5,157 1,158 17,159 1,161 5,165 8,167 13,168 2,170 5,171 1,172 2,173 2,174 1,175 1,176 10,179 4,183 1,185 15,188 2,191 5,193 15,194 2,196 2,199 5,200 13,201 2,203 2,205 3,206 11,207 1,209 3,213 3,214 9,215 1,216 1750,217 20.396,218 20.396,219 20.396,220 20.396,221 20.396,222 19.387,223 18.913,224 12.525,225 20.611,226 15.766,227 15.766,228 15.766,229 15.766,230 15.766,231 14.202,232 19.895,233 5.952,234 16.079,235 4.768,236 3.179,237 2.225,238 1.261,239 0.899,240 0.841,241 4.115,244 1,245 1,246 1062,247 4.528,248 71.466,251 255.911,256 2.822,257 24.845,259 1,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.86,267 63.5,268 500,269 4.751,270 4.226,271 7.96,272 4.662,273 3.665,274 3.911,275 2.022,276 14.927,277 3.652,278 4.039,279 3.073,280 5.555,281 3.648,282 2.66,283 3.626,284 1.252,285 7.498,286 2.629,287 3.537,288 2.771,289 5.34,290 3.509,291 2.522,292 2.805,293 0.86,294 6.965,295 2.491,296 3.522,297 2.658,298 5.275,299 3.235,300 2.255,301 2.522,302 0.167,303 6.568,304 2.204,305 3.178,306 2.347,307 4.953,308 2.858,309 1.879,310 2.282,312 4.554,313 1.842,314 2.885,315 2.153,316 4.5,317 2.693,318 1.708,319 1.886,321 3.783,322 1.676,323 2.783,324 1.988,325 3.901,326 2.565,327 1.607,328 1.736,330 3.594,331 1.535,332 2.624,333 1.755,334 3.696,335 2.43,336 1.452,337 1.624,339 3.305,340 1.411,341 2.5,342 1.464,343 3.521,344 2.388,345 1.399,346 1.5,347 2.943,348 1.375,349 2.429,350 1.202,351 3.414,352 2,353 1.033,354 1.428,355 2.275,356 1,357 2.069,358 1,359 3.247,360 2,361 1,362 1.058,363 2.165,364 1,365 2,366 1,367 3.22,368 1.979,369 1,370 1,371 2.136,372 0.967,373 1.616,374 0.797,375 3.057,376 1.514,377 0.551,378 0.571,379 1.182,380 0.527,381 1.309,382 0.576,383 3,384 1.115,385 0.142,386 0.155,387 0.326,388 0.137,389 1,390 0.329,391 2.764,392 0.87,393 -0.097,394 -0.102,395 -0.227,396 -0.094,397 14.367,398 0.479,399 0.573,400 0.019,401 27.25,402 0.908,403 9.5,404 0.317,405 17.75,406 0.592,407 33.32,408 1.111,409 35.433,410 0.514,411 17.35,412 0.578,413 4.168,414 0.139,415 10.431,416 0.348,417 0.079,418 0.035,419 0.174,420 0.868,421 1.289,422 1.051,423 1.227,424 0.766,425 1.161,426 0.844,427 1.277,428 1.109,429 1.288,430 0.54,431 1.244,432 0.976,433 1.207,434 0.978,435 1.127,436 0.904,437 1.064,438 1.319,439 0.872,440 1.08,441 0.948,442 1.124,443 0.985,444 1.27,445 0.772,446 0.897,447 0.795,448 1.083,449 0.814,450 0.902,451 1.074,452 1.018,453 1.079,454 0.702,455 1.071,456 0.647,457 1.079,458 0.992,459 1.089,460 0.574,461 1.076,462 0.798,463 0.914,464 0.935,465 0.946,466 0.796,467 0.954,468 5.5,469 0.078,470 2.333,471 1.701,472 0.808,473 0.57,474 0.334,475 0.254,476 0.187,477 0.116,478 15963,479 29730,480 2.043,481 56.5,482 24,483 8,486 4,488 3,490 1.715,491 1.946,492 3.972,493 1.531,497 92.506,498 1.341,499 2.929,500 3.883,501 4.847,502 5.21,503 5.268,504 3.378,505 3.99,506 4.878,507 4.219,508 1835.42,509 8.435,510 30283.3,513 421.488,514 1.287,515 4.847,516 0.172,517 0.004,518 0.06,519 0.043,520 0.026,521 0.019,522 0.012,523 0.01,524 0.008,525 0.006,526 0.359,528 0.88,529 0.659,530 163.742,531 -0.044,532 0.068,533 0.029,534 0.049,535 -0.03,536 0.051,537 0.068,538 -0.114,539 -0.08,540 -0.126,541 0.096,542 -0.125,543 0.015,544 -0.185,545 0.02,546 -0.11,547 0.018,548 -0.054,549 0.026,550 0.083,551 -0.063,552 -0.017,553 0.138,554 -0.046,555 -0.077,556 0.13,557 0.086,558 0.157,559 -0.024,560 0.14,561 -0.051,562 -0.068,563 -0.044,564 -0.035,565 0.014,566 -0.041,567 -0.007,568 -0.092,569 -0.047,570 -0.082,571 0.014,572 -0.07,573 -0.027,574 0.02,575 0.009,576 0.024,577 -0.035,578 0.021,579 2,580 5.301,581 0.5,582 42.489,583 0.984,584 1.136,585 3.78,586 14.291,587 0.618,588 3.497,589 3.761,590 3.932,591 4.007,592 4.007,593 3.951,594 3.97,595 4.025,596 4.078,597 3.951,598 9.904,599 0.565,600 413.67,601 3.497,602 5.004,603 5.826,604 6.671,605 7.517,606 8.376,607 9.238,608 10.109,609 10.983,610 11.865,611 4.3,612 1,617 1,619 1,623 4,628 2,630 6,638 69,639 8,640 1,641 32,642 71,643 25,644 6,645 2,646 4,648 3,649 3,653 1,654 1,655 7,656 1,657 13,659 8,660 17,661 1,662 2,663 1,664 1,667 2,670 39,671 5,672 4,673 5,677 3,679 1,681 1,682 2,690 1,693 2,700 1,704 1,709 1,710 3,715 30,716 1,718 15,719 1,720 1,721 1,723 1,731 2.9,734 1,735 1,737 15.417,738 11.583,739 6.833,740 4.785,741 1.191,742 1.171,743 0.934,744 9.05,745 8.155,746 3.638,747 4.034,748 4.373,749 4.69,750 4.956,751 4.964,752 5.174,753 5.381,754 5.466,755 5.372,756 0.909,757 40,758 11.227,759 4.717,760 7.558,761 22.427,762 19.003,763 2.058,764 61.75,768 411.989,769 93.014,770 82.58,772 36.145,774 93.014,775 448.133,776 82.58,778 93.042,779 37.905,780 43.177,781 37.614,783 411.989,785 411.989,786 175.593,787 36.145,790 376.675,791 60.458,792 11,793 124.714,794 50.88,797 411.989,798 118.725,799 93.014,801 411.989,802 55.109,803 37.905,804 18.011,805 100.714,806 411.989,807 118.725,808 93.014,810 0.566,811 0.315,812 0.153,813 0.068,814 17,815 7,816 0.183,817 13,819 1,820 4.545,821 227.827,823 15,824 137.207,826 23.125,827 11.74,828 7.587,830 118.725,831 8.074,836 2.084,838 82.58,839 623.727,840 37,841 7.6,842 12.301,845 -0.169,846 67.865,847 78.387,848 0.219,849 0.48,850 0.636,851 0.794,852 0.853,853 0.862,854 4.871,855 1.452,856 5.796,857 3.594,858 4.443,859 4.718,860 2.48,861 6.608,862 4.41,863 6.014,864 1.399,865 7.368,866 3.305,867 4.111,868 4.477,869 1.854,870 8.052,871 4.09,872 7.306,873 1.033,874 9.086,875 2.943,876 6.098,877 6.669,878 3.333,879 11.112,880 6.052,881 8.643,882 1,883 10.91,884 2.275,885 6.711,886 7.283,887 3.33,888 13.517,889 6.681,890 10.031,891 1,892 12.81,893 2.165,894 8.202,895 8.997,896 4.486,897 16.285,898 8.157,899 11.454,900 0.551,901 14.765,902 2.136,903 9.235,904 9.98,905 4.797,906 18.923,907 9.2,908 12.906,909 0.142,910 16.759,911 1.182,912 10.573,913 11.511,914 5.773,915 21.64,916 10.531,917 3.665,918 -0.097,919 18.779,920 0.326,921 11.773,922 12.663,923 6.251,924 24.329,925 11.734,926 2.66,927 14.927,928 20.817,929 -0.227,930 13.072,931 14.111,932 7.119,933 27.035,934 13.028,935 2.522,936 7.498,937 22.867,938 3.911,939 14.333,940 15.348,941 7.691,942 29.735,943 14.289,944 2.255,945 6.965,946 24.926,947 3.626,948 15.626,949 16.754,950 8.492,951 32.439,952 15.579,953 1.879,954 6.568,955 26.989,956 2.805,957 16.91,958 18.036,959 9.119,960 35.141,961 16.86,962 1.708,963 4.554,964 29.056,965 2.522,966 18.204,967 19.419,968 9.881,969 37.844,970 18.151,971 1.607,972 3.783,973 31.126,974 2.282,975 19.496,976 20.728,977 10.539,978 40.547,979 19.441,980 15315,981 21180,982 21.435,983 42.631,984 46.108,985 46.934,986 48.053,987 45.719,988 45.747,989 52.209,990 8.601,991 124.441,992 44.893,993 5.751,994 6.226,995 7.87,996 5.699,997 5.665,998 6.911,999 3.577,1000 22.505,1001 5.652,1002 13.172,1003 1.441,1004 1.467,1005 1.502,1006 1.429,1007 1.43,1008 1.632,1009 0.269,1010 3.889,1011 1.403,1012 4.017,1013 4.055,1014 3.948,1015 3.919,1016 7.428,1017 3.92,1018 3.904,1019 3.949,1020 3.82,1021 3.822,1022 5.873,1023 3.817,1024 3.883,1025 3.929,1026 3.747,1027 3.774,1028 4.794,1029 3.759,1030 3.732,1031 3.793,1032 3.573,1033 3.61,1034 4.746,1035 3.593,1036 3.513,1037 3.575,1038 3.353,1039 3.348,1040 4.588,1041 3.337,1042 3.321,1043 3.389,1044 3.174,1045 3.14,1046 4.207,1047 3.131,1048 3.225,1049 3.337,1050 3.086,1051 2.996,1052 4.157,1053 2.994,1054 3.186,1055 3.258,1056 3.029,1057 2.941,1058 4.111,1059 2.932,1060 0.148,1061 0.132,1062 0.249,1063 0.146,1064 0.115,1065 4.751,1066 0.122,1067 4.226,1068 0.063,1069 7.96,1070 0.466,1071 4.662,1072 0.114,1073 3.665,1074 3.911,1075 2.022,1076 14.927,1077 3.652,1078 1.936,1079 1.905,1080 2.111,1081 2.038,1082 1.507,1083 2.064,1084 1.888,1085 1.835,1086 2.079,1087 2.03,1088 1.4,1089 2.047,1090 1.751,1091 1.693,1092 1.978,1093 1.912,1094 1.218,1095 1.938,1096 1.556,1097 1.514,1098 1.782,1099 1.774,1100 1.027,1101 1.763,1102 1.488,1103 1.431,1104 1.645,1105 1.699,1106 0.938,1107 1.705,1108 1.313,1109 1.245,1110 1.607,1111 1.537,1112 0.84,1113 1.562,1114 1.161,1115 1.084,1116 1.513,1117 1.431,1118 0.825,1119 1.43,1120 1.153,1121 1.064,1122 1.513,1123 1.376,1124 0.825,1125 1.429,1126 4.174,1127 1.946,1128 5.451,1129 3.932,1130 6.932,1131 5.938,1132 8.514,1133 7.91,1134 10.154,1138 5.571,1140 17.438,1141 2.903,1142 5.877,1143 0.822,1145 -0.75,1148 38.976,1149 92.506,1150 202.134,1151 267.939,1152 334.469,1153 359.488,1154 363.488,1155 73.963,1156 6.964,1157 88.2,1158 88.2,1159 15,1160 12.403,1161 3.17,1162 2.585,1163 56.217,1164 181,1165 162,1166 0.144,1167 242.137,1168 430.46,1169 582.575,1170 11644,1172 21.236,1173 0.708,1174 0.613,1175 21.236,1176 18.387,1177 14.599,1178 0.456,1179 0.373,1180 11.839,1181 14.257,1182 11.604,1183 9.644,1184 14.599,1185 11.927,1186 12.468,1187 0.297,1188 0.22,1189 12.468,1190 9.244,1191 9.811,1192 0.196,1193 0.13,1194 9.811,1195 6.494,1196 7.355,1197 0.136,1198 0.079,1199 7.355,1200 4.292,1201 4.783,1202 0.089,1203 0.051,1204 4.783,1205 2.751,1206 0.246,1207 90.157,1208 0.216,1209 30.151,1210 0.348,1211 148,1212 327.449,1213 157.256,1214 319.307,1215 428.96,1216 298,1217 169,1218 303.498,1219 178.479,1220 310.187,1221 449.48,1222 292,1223 6.62} {0 CHEMBL1774561,1 1.328,2 17.452,3 5.716,4 32.667,5 126.432,6 5.94,7 0.182,8 4.315,9 4.463,10 3.668,11 3.826,12 5.215,13 3.755,14 4.908,15 5.116,16 3.926,17 4.223,18 5.727,19 4.094,20 5.242,21 5.514,22 4.005,23 4.351,24 6.029,25 4.192,26 5.29,27 5.584,28 3.836,29 4.281,30 6.183,31 4.093,32 5.155,33 5.46,34 3.716,35 4.175,36 5.889,37 3.989,38 5.003,39 5.279,40 3.68,41 4.145,42 5.74,43 3.962,44 5.033,45 5.33,46 3.581,47 4.119,48 5.731,49 3.91,50 4.987,51 5.298,52 3.46,53 4.024,54 5.643,55 3.807,56 0.093,57 1,58 18.049,59 7.376,60 10.622,61 10.593,62 0.274,63 1.573,64 31.652,65 12.587,66 31.282,67 18.085,68 0.331,69 1.946,70 43.022,71 15.089,72 35.367,73 22.81,74 0.634,75 1.871,76 45.123,77 14.868,78 95.87,79 22.414,80 0.394,81 1.612,82 38.585,83 13.649,84 49.265,85 20.204,86 0.259,87 1.525,88 33.347,89 12.68,90 33.413,91 18.671,92 0.244,93 1.539,94 33.856,95 12.608,96 33.435,97 18.976,98 0.267,99 1.403,100 32.13,101 11.779,102 32.36,103 17.671,104 11,105 43,106 0.211,107 0.456,108 0.605,109 0.758,110 0.826,111 0.847,112 3.47,113 1.13,114 -5.21,115 -5.11,116 -4.78,117 36.1,119 14,120 1,121 1,123 2,130 4,131 1,132 1,142 2,146 1,147 1,148 1,151 20,153 3,154 1,155 1,156 5,157 1,158 18,159 1,161 5,165 8,167 14,168 2,170 5,171 1,172 2,173 2,174 1,175 1,176 11,179 4,183 1,185 16,188 2,191 5,193 16,194 2,196 2,199 5,200 14,201 2,203 2,205 3,206 13,207 1,209 2,213 3,214 11,215 1,216 1946,217 21.103,218 21.103,219 21.103,220 21.103,221 21.103,222 20.094,223 18.913,224 13.025,225 21.318,226 16.266,227 16.266,228 16.266,229 16.266,230 16.266,231 14.702,232 19.895,233 6.202,234 16.579,235 4.842,236 3.296,237 2.359,238 1.39,239 0.965,240 0.833,241 4.147,245 1,246 1148,247 4.637,248 74.452,251 267.382,256 2.953,257 24.923,259 1,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.86,267 65.5,268 541,269 4.751,270 4.226,271 7.96,272 4.662,273 3.665,274 3.911,275 2.022,276 14.927,277 3.652,278 4.039,279 3.073,280 5.555,281 3.648,282 2.66,283 3.626,284 1.252,285 7.498,286 2.629,287 3.537,288 2.771,289 5.34,290 3.509,291 2.522,292 2.805,293 0.86,294 6.965,295 2.491,296 3.522,297 2.658,298 5.275,299 3.235,300 2.255,301 2.522,302 0.167,303 6.568,304 2.204,305 3.178,306 2.347,307 4.953,308 2.885,309 1.9,310 2.282,312 4.554,313 1.873,314 2.905,315 2.154,316 4.5,317 2.701,318 1.716,319 1.906,321 3.821,322 1.684,323 2.784,324 1.988,325 3.918,326 2.604,327 1.647,328 1.738,330 3.595,331 1.569,332 2.671,333 1.808,334 3.727,335 2.465,336 1.477,337 1.67,339 3.382,340 1.459,341 2.5,342 1.502,343 3.568,344 2.414,345 1.429,346 1.5,347 3.046,348 1.395,349 2.478,350 1.313,351 3.414,352 2.121,353 1.166,354 1.477,355 2.429,356 1.103,357 2.196,358 1,359 3.303,360 2,361 1,362 1.19,363 2.275,364 1,365 2,366 1,367 3.247,368 2,369 1,370 1,371 2.136,372 1,373 1.78,374 0.917,375 3.097,376 1.694,377 0.737,378 0.757,379 1.555,380 0.699,381 1.419,382 0.658,383 3,384 1.274,385 0.301,386 0.318,387 0.66,388 0.291,389 1.151,390 0.427,391 2.891,392 0.992,393 0.022,394 0.024,395 0.051,396 0.021,397 14.867,398 0.48,399 0.573,400 0.018,401 27.75,402 0.895,403 9.5,404 0.306,405 18.25,406 0.589,407 35.206,408 1.136,409 36.733,410 0.51,411 17.495,412 0.564,413 4.168,414 0.134,415 10.931,416 0.353,417 0.076,418 0.034,419 0.168,420 0.869,421 1.297,422 1.064,423 1.238,424 0.766,425 1.173,426 0.844,427 1.285,428 1.12,429 1.296,430 0.54,431 1.253,432 0.969,433 1.198,434 0.976,435 1.121,436 0.897,437 1.06,438 1.309,439 0.877,440 1.075,441 0.949,442 1.117,443 0.985,444 1.254,445 0.782,446 0.898,447 0.805,448 1.07,449 0.823,450 0.886,451 1.068,452 1.012,453 1.074,454 0.689,455 1.065,456 0.639,457 1.073,458 0.988,459 1.083,460 0.566,461 1.07,462 0.785,463 0.916,464 0.933,465 0.949,466 0.783,467 0.955,468 5.5,469 0.094,470 2.333,471 1.701,472 0.808,473 0.57,474 0.334,475 0.254,476 0.187,477 0.116,478 17806,479 32707,480 2.042,481 56.9,482 26,483 8,486 4,488 3,490 1.723,491 1.948,492 4.035,493 1.504,497 95.609,498 1.328,499 2.874,500 3.811,501 4.78,502 5.205,503 5.337,504 3.474,505 4.503,506 4.926,507 4.288,508 1993.84,509 8.528,510 34205.9,513 444.235,514 1.262,515 4.896,516 0.167,517 0.004,518 0.058,519 0.041,520 0.025,521 0.018,522 0.011,523 0.01,524 0.008,525 0.005,526 0.349,528 0.88,529 0.646,530 171.625,531 -0.041,532 0.065,533 0.029,534 0.047,535 -0.027,536 0.049,537 0.068,538 -0.119,539 -0.085,540 -0.131,541 0.096,542 -0.13,543 0.019,544 -0.177,545 0.023,546 -0.104,547 0.022,548 -0.049,549 0.031,550 0.08,551 -0.058,552 -0.016,553 0.142,554 -0.043,555 -0.072,556 0.124,557 0.083,558 0.149,559 -0.02,560 0.133,561 -0.046,562 -0.064,563 -0.038,564 -0.032,565 0.018,566 -0.037,567 -0.005,568 -0.088,569 -0.042,570 -0.077,571 0.017,572 -0.065,573 -0.024,574 0.019,575 0.01,576 0.022,577 -0.033,578 0.02,579 2,580 5.311,581 0.484,582 45.831,583 0.983,584 1.136,585 3.985,586 15.878,587 0.617,588 3.526,589 3.784,590 3.951,591 4.025,592 4.025,593 3.97,594 3.989,595 4.043,596 4.094,597 3.97,598 10.365,599 0.563,600 427.7,601 3.526,602 5.03,603 5.849,604 6.691,605 7.534,606 8.391,607 9.25,608 10.12,609 10.992,610 11.872,611 4.2,612 1,617 1,619 1,623 4,628 2,630 6,638 72,639 8,640 1,641 33,642 74,643 26,644 6,645 2,646 4,648 3,649 3,653 1,654 1,655 7,656 1,657 14,659 8,660 18,661 1,662 2,663 1,664 1,667 2,670 41,671 5,672 4,673 5,677 3,679 1,681 1,682 2,690 1,693 2,700 1,704 1,709 1,710 3,715 31,716 1,718 16,719 1,720 1,721 1,723 1,731 2.8,734 1,735 1,737 15.917,738 12.083,739 7.083,740 5.035,741 1.183,742 1.169,743 0.933,744 9.704,745 8.197,746 3.664,747 4.052,748 4.385,749 4.699,750 4.963,751 4.971,752 5.18,753 5.386,754 5.47,755 5.376,756 1,757 41,758 11.605,759 4.86,760 7.54,761 23.243,762 19.67,763 2.04,764 63.25,768 435.531,769 95.548,770 82.58,772 36.145,774 95.548,775 471.676,776 82.58,778 95.576,779 37.905,780 43.177,781 37.614,783 435.531,785 435.531,786 178.128,787 36.145,790 400.217,791 60.458,792 11,793 127.248,794 50.88,797 435.531,798 118.725,799 95.548,801 435.531,802 57.643,803 37.905,804 18.011,805 100.714,806 435.531,807 118.725,808 95.548,810 0.564,811 0.313,812 0.152,813 0.068,814 17,815 7,816 0.189,817 14,819 1,820 4.664,821 236.049,823 15,824 143.58,826 24.104,827 12.481,828 8.142,830 118.725,831 8.09,836 2.091,838 82.58,839 649.804,840 38,841 7.605,842 12.311,845 -0.166,846 70.748,847 81.803,848 0.215,849 0.466,850 0.618,851 0.775,852 0.844,853 0.865,854 4.894,855 1.477,856 5.814,857 3.595,858 4.466,859 4.736,860 2.48,861 6.619,862 4.434,863 6.031,864 1.429,865 7.381,866 3.382,867 4.111,868 4.477,869 1.854,870 8.052,871 4.09,872 7.319,873 1.166,874 9.094,875 3.046,876 6.111,877 6.676,878 3.333,879 11.114,880 6.066,881 8.652,882 1,883 10.914,884 2.429,885 6.711,886 7.283,887 3.33,888 13.517,889 6.681,890 10.037,891 1,892 12.812,893 2.275,894 8.208,895 8.999,896 4.486,897 16.285,898 8.163,899 11.459,900 0.737,901 14.766,902 2.136,903 9.235,904 9.98,905 4.797,906 18.923,907 9.2,908 12.909,909 0.301,910 16.76,911 1.555,912 10.575,913 11.512,914 5.773,915 21.64,916 10.532,917 3.665,918 0.022,919 18.78,920 0.66,921 11.773,922 12.663,923 6.251,924 24.329,925 11.734,926 2.66,927 14.927,928 20.818,929 0.051,930 13.072,931 14.111,932 7.119,933 27.035,934 13.029,935 2.522,936 7.498,937 22.868,938 3.911,939 14.333,940 15.348,941 7.691,942 29.735,943 14.289,944 2.255,945 6.965,946 24.926,947 3.626,948 15.626,949 16.754,950 8.492,951 32.439,952 15.579,953 1.9,954 6.568,955 26.989,956 2.805,957 16.91,958 18.036,959 9.119,960 35.141,961 16.86,962 1.716,963 4.554,964 29.056,965 2.522,966 18.204,967 19.419,968 9.881,969 37.844,970 18.152,971 1.647,972 3.821,973 31.126,974 2.282,975 19.496,976 20.728,977 10.539,978 40.547,979 19.441,980 17081,981 23457,982 22.129,983 44.393,984 47.278,985 48.172,986 49.311,987 46.954,988 46.994,989 53.452,990 8.601,991 126.923,992 46.141,993 5.751,994 6.226,995 7.885,996 5.698,997 5.665,998 6.911,999 3.577,1000 22.505,1001 5.652,1002 13.527,1003 1.433,1004 1.46,1005 1.494,1006 1.423,1007 1.424,1008 1.62,1009 0.261,1010 3.846,1011 1.398,1012 4.018,1013 4.056,1014 3.949,1015 3.92,1016 7.428,1017 3.92,1018 3.904,1019 3.95,1020 3.82,1021 3.823,1022 5.873,1023 3.817,1024 3.884,1025 3.93,1026 3.748,1027 3.774,1028 4.794,1029 3.76,1030 3.751,1031 3.812,1032 3.592,1033 3.633,1034 4.746,1035 3.614,1036 3.559,1037 3.621,1038 3.395,1039 3.406,1040 4.588,1041 3.392,1042 3.36,1043 3.424,1044 3.206,1045 3.171,1046 4.207,1047 3.166,1048 3.238,1049 3.339,1050 3.106,1051 3.059,1052 4.161,1053 3.046,1054 3.212,1055 3.3,1056 3.049,1057 2.941,1058 4.133,1059 2.932,1060 0.144,1061 0.128,1062 0.241,1063 0.141,1064 0.111,1065 4.751,1066 0.119,1067 4.226,1068 0.061,1069 7.96,1070 0.452,1071 4.662,1072 0.111,1073 3.665,1074 3.911,1075 2.022,1076 14.927,1077 3.652,1078 1.936,1079 1.905,1080 2.111,1081 2.038,1082 1.507,1083 2.064,1084 1.888,1085 1.836,1086 2.082,1087 2.031,1088 1.413,1089 2.049,1090 1.771,1091 1.712,1092 1.997,1093 1.928,1094 1.254,1095 1.956,1096 1.582,1097 1.531,1098 1.829,1099 1.789,1100 1.074,1101 1.795,1102 1.519,1103 1.471,1104 1.657,1105 1.729,1106 0.946,1107 1.721,1108 1.342,1109 1.278,1110 1.624,1111 1.573,1112 0.865,1113 1.594,1114 1.229,1115 1.152,1116 1.542,1117 1.459,1118 0.825,1119 1.481,1120 1.153,1121 1.064,1122 1.513,1123 1.376,1124 0.825,1125 1.429,1126 4.205,1127 1.946,1128 5.476,1129 3.932,1130 6.952,1131 5.938,1132 8.528,1133 7.91,1134 10.164,1138 5.575,1140 18.874,1141 2.907,1142 5.883,1143 0.828,1145 -0.75,1148 40.503,1149 95.609,1150 206.909,1151 274.372,1152 344.177,1153 374.725,1154 384.235,1155 78.093,1156 7.014,1157 88.2,1158 88.2,1159 15,1160 12.411,1161 3.17,1162 2.585,1163 59.198,1164 196,1165 175,1166 0.14,1167 251.73,1168 447.76,1169 605.98,1170 12700,1172 21.943,1173 0.708,1174 0.616,1175 21.943,1176 19.094,1177 15.099,1178 0.458,1179 0.377,1180 12.339,1181 14.757,1182 12.095,1183 10.06,1184 15.099,1185 12.427,1186 12.821,1187 0.298,1188 0.223,1189 12.821,1190 9.597,1191 10.061,1192 0.197,1193 0.132,1194 10.061,1195 6.744,1196 7.532,1197 0.137,1198 0.081,1199 7.532,1200 4.468,1201 4.908,1202 0.089,1203 0.052,1204 4.908,1205 2.876,1206 0.239,1207 93.157,1208 0.213,1209 31.09,1210 0.335,1211 152,1212 331.449,1213 161.256,1214 323.469,1215 434.72,1216 302,1217 173,1218 307.498,1219 182.479,1220 314.349,1221 455.24,1222 296,1223 6.097} {0 CHEMBL1774562,1 1.319,2 17.088,3 5.545,4 30.749,5 136.27,6 6.049,7 0.158,8 4.403,9 4.545,10 3.792,11 3.945,12 5.273,13 3.876,14 5.03,15 5.226,16 4.146,17 4.413,18 5.817,19 4.298,20 5.412,21 5.662,22 4.22,23 4.595,24 6.167,25 4.435,26 5.528,27 5.835,28 4.001,29 4.494,30 6.326,31 4.289,32 5.266,33 5.56,34 3.834,35 4.305,36 5.986,37 4.115,38 5.153,39 5.443,40 3.767,41 4.24,42 5.852,43 4.053,44 5.077,45 5.362,46 3.677,47 4.204,48 5.772,49 4.002,50 5.079,51 5.386,52 3.57,53 4.136,54 5.715,55 3.92,56 0.098,57 1.095,58 19.421,59 8.118,60 11.283,61 11.566,62 0.283,63 1.845,64 35.674,65 14.788,66 32.42,67 20.966,68 0.339,69 2.444,70 51.289,71 19.279,72 34.661,73 28.462,74 0.731,75 2.385,76 56.972,77 19.467,78 104.171,79 29.021,80 0.404,81 1.87,82 43.605,83 15.863,84 48.273,85 23.199,86 0.344,87 1.723,88 38.78,89 14.476,90 40.281,91 21.213,92 0.243,93 1.679,94 35.776,95 13.69,96 32.791,97 20.382,98 0.279,99 1.591,100 35.532,101 13.372,102 33.071,103 19.874,104 11,105 55,106 0.205,107 0.46,108 0.628,109 0.782,110 0.801,111 0.801,112 3.559,113 1.089,114 -5.81,115 -5.67,116 -5.28,117 37.7,119 14,120 3,121 2,123 2,130 4,131 1,132 1,142 2,146 1,147 1,148 1,151 25,153 3,154 1,155 1,156 5,157 1,158 29,159 1,161 6,165 8,167 22,168 2,170 6,171 1,172 2,173 2,174 1,175 1,176 13,179 6,183 1,185 16,188 2,191 5,193 17,194 2,196 2,199 5,200 17,201 2,203 2,205 3,206 15,207 1,209 3,213 3,214 13,215 1,216 2230,217 23.032,218 23.032,219 23.032,220 23.032,221 23.032,222 22.023,223 18.913,224 13.521,225 23.239,226 18.761,227 18.761,228 18.761,229 18.761,230 18.761,231 17.197,232 19.895,233 6.446,234 19.061,235 4.948,236 3.314,237 2.234,238 1.241,239 1.117,240 1.117,241 4.26,245 1,246 1302,247 4.95,248 79.578,251 616.113,253 479.253,256 2.848,257 25.942,259 0.75,260 0.5,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.77,267 71.5,268 581,269 4.751,270 4.226,271 7.96,272 4.662,273 3.665,274 3.911,275 2.022,276 14.927,277 3.652,278 4.445,279 3.47,280 7.271,281 4.442,282 3.445,283 3.626,284 1.252,285 13.021,286 3.433,287 4.039,288 3.073,289 5.656,290 3.648,291 2.66,292 3.445,293 0.86,294 7.884,295 2.629,296 3.548,297 2.771,298 5.555,299 3.543,300 2.548,301 2.805,302 0.167,303 7.498,304 2.537,305 3.537,306 2.598,307 5.275,308 3.235,309 2.255,310 2.548,312 6.568,313 2.204,314 3.178,315 2.347,316 5.061,317 3,318 2,319 2.282,321 6.076,322 2,323 3,324 2.189,325 5.061,326 3,327 2,328 2,330 6.076,331 2,332 3,333 2,334 4.953,335 2.856,336 1.876,337 2,339 4.554,340 1.841,341 2.882,342 2,343 4.5,344 2.692,345 1.705,346 1.883,347 3.782,348 1.675,349 2.783,350 1.988,351 3.939,352 2.486,353 1.543,354 1.736,355 3.593,356 1.449,357 2.563,358 1.741,359 3.753,360 2.412,361 1.433,362 1.562,363 3.175,364 1.39,365 2.5,366 1.259,367 3.439,368 2.024,369 1.084,370 1.5,371 2.295,372 1.007,373 2.121,374 1,375 3.414,376 2,377 1,378 1.112,379 2.275,380 1,381 1.64,382 0.82,383 3.396,384 1.539,385 0.576,386 0.597,387 1.26,388 0.551,389 1.316,390 0.59,391 3.396,392 1.119,393 0.146,394 0.16,395 0.341,396 0.141,397 16.367,398 0.481,399 0.881,400 0.026,401 30.25,402 0.89,403 9.5,404 0.279,405 20.75,406 0.61,407 42.439,408 1.248,409 39.433,410 0.512,411 18.113,412 0.533,413 4.162,414 0.122,415 12.3,416 0.362,417 0.069,418 0.061,419 0.214,420 0.849,421 1.218,422 1.02,423 1.166,424 0.748,425 1.111,426 0.802,427 1.197,428 1.064,429 1.211,430 0.502,431 1.177,432 0.897,433 1.304,434 1.091,435 1.267,436 0.82,437 1.208,438 1.247,439 0.819,440 0.995,441 0.886,442 0.968,443 0.915,444 1.249,445 0.896,446 0.966,447 0.931,448 1.037,449 0.931,450 1.114,451 0.907,452 0.949,453 0.909,454 0.709,455 0.922,456 0.664,457 1.109,458 1.037,459 1.124,460 0.58,461 1.115,462 0.772,463 0.917,464 0.939,465 0.953,466 0.76,467 0.961,468 9,469 0.119,470 2.556,471 2.826,472 1.111,473 0.75,474 0.455,475 0.341,476 0.252,477 0.167,478 24351,479 42378,480 2.13,481 55.8,482 29,483 8,486 4,488 2,490 1.746,491 2.02,492 3.968,493 1.429,497 101.577,498 1.319,499 2.953,500 4.033,501 5.026,502 5.149,503 5.149,504 3.316,505 4.256,506 5.066,507 4.272,508 2396.81,509 8.797,510 43307.7,513 482.543,514 1.425,515 5.021,516 0.237,517 0.005,518 0.049,519 0.055,520 0.029,521 0.022,522 0.014,523 0.012,524 0.01,525 0.007,526 0.44,528 0.5,529 0.608,530 192.225,531 -0.037,532 0.103,533 0.052,534 0.083,535 -0.021,536 0.08,537 0.064,538 -0.033,539 -0.036,540 -0.047,541 0.103,542 -0.054,543 0.005,544 -0.25,545 -0.092,546 -0.215,547 0.015,548 -0.17,549 0.039,550 0.097,552 0.032,553 0.142,554 0.015,555 -0.056,556 0.024,557 0.021,558 0.035,559 -0.016,560 0.035,561 -0.068,562 0.032,563 0.028,564 0.077,565 0.017,566 0.061,567 -0.018,568 -0.111,569 -0.082,570 -0.11,571 0.012,572 -0.103,573 -0.022,574 0.018,575 0.007,576 0.019,577 -0.026,578 0.017,579 2.001,580 5.362,581 0.559,582 45.118,583 0.982,584 1.133,585 4.58,586 20.974,587 0.625,588 3.664,589 4.025,590 4.263,591 4.511,592 4.673,593 4.787,594 4.844,595 4.868,596 4.575,597 4.5,598 10.533,599 0.572,600 465.75,601 3.664,602 5.231,603 6.094,604 6.997,605 7.878,606 8.793,607 9.684,608 10.606,609 11.503,610 12.431,611 3.9,612 1,617 1,619 1,623 4,628 2,630 6,638 77,639 8,640 1,641 38,642 81,643 29,644 6,645 2,646 4,648 5,649 9,653 2,654 2,655 8,656 3,657 14,659 8,660 21,661 3,662 2,663 1,664 1,667 2,670 43,671 5,672 4,673 5,677 3,679 1,681 0.6,682 2,690 1,693 5,695 3,700 1,704 1,709 1,710 3,715 34,716 1,718 16,719 1,720 1,721 3,723 2,731 2.6,734 1,735 1,737 16.833,738 13,739 7.333,740 5.285,741 1.127,742 1.141,743 0.951,744 7.256,745 9.099,746 3.784,747 4.241,748 4.598,749 4.976,750 5.268,751 5.352,752 5.524,753 5.674,754 5.615,755 5.534,756 0.909,757 51,758 12.765,759 5.624,760 7.475,761 25.87,762 23.501,763 1.975,764 67.167,768 459.073,769 95.548,770 82.58,772 36.145,774 95.548,775 495.218,776 82.58,778 95.576,779 37.905,780 43.177,781 37.614,783 459.073,785 459.073,786 178.128,787 36.145,790 435.531,791 48.687,792 11,793 127.248,794 50.88,797 459.073,798 118.725,799 95.548,801 459.073,802 57.643,803 37.905,804 18.011,805 100.714,806 459.073,807 118.725,808 95.548,810 0.588,811 0.331,812 0.173,813 0.083,814 28,815 11,816 0.16,817 13,818 6,819 1.421,820 4.89,821 296.703,822 0.632,823 15,824 152.709,826 24.162,827 10.21,828 5.83,830 118.725,831 8.123,836 2.097,838 82.58,839 673.346,840 43,841 7.632,842 12.362,845 -0.162,846 75.632,847 87.218,848 0.211,849 0.471,850 0.644,851 0.802,852 0.822,853 0.822,854 5.091,855 1.876,856 6.125,857 6.076,858 4.71,859 4.927,860 2.48,861 7.024,862 4.685,863 6.271,864 1.705,865 7.746,866 4.554,867 4.575,868 4.82,869 1.854,870 8.517,871 4.562,872 7.6,873 1.543,874 9.497,875 3.782,876 6.472,877 6.897,878 3.333,879 11.57,880 6.44,881 8.96,882 1.433,883 11.334,884 3.593,885 7.171,886 7.568,887 3.33,888 13.916,889 7.149,890 10.364,891 1.084,892 13.233,893 3.175,894 8.627,895 9.211,896 4.486,897 16.66,898 8.594,899 11.795,900 1,901 15.176,902 2.295,903 9.682,904 10.217,905 4.797,906 19.248,907 9.654,908 13.25,909 0.576,910 17.15,911 2.275,912 11.003,913 11.702,914 5.773,915 21.933,916 10.968,917 3.665,918 0.146,919 19.147,920 1.26,921 12.198,922 12.86,923 6.251,924 24.586,925 12.163,926 3.445,927 14.927,928 21.161,929 0.341,930 13.482,931 14.276,932 7.119,933 27.263,934 13.442,935 2.66,936 13.021,937 23.186,938 3.911,939 14.729,940 15.51,941 7.691,942 29.936,943 14.687,944 2.548,945 7.884,946 25.221,947 3.626,948 16.005,949 16.893,950 8.492,951 32.616,952 15.96,953 2.255,954 7.498,955 27.262,956 3.445,957 17.272,958 18.169,959 9.119,960 35.297,961 17.225,962 2,963 6.568,964 29.307,965 2.805,966 18.55,967 19.535,968 9.881,969 37.982,970 18.499,971 2,972 6.076,973 31.357,974 2.548,975 19.826,976 20.836,977 10.539,978 40.668,979 19.771,980 22139,981 29448,982 25.712,983 48.154,984 56.657,985 57.86,986 59.224,987 55.852,988 55.871,989 62.333,990 8.601,991 166.65,992 55.018,993 5.751,994 6.226,995 7.864,996 5.706,997 5.665,998 6.911,999 3.577,1000 22.505,1001 5.652,1002 14.462,1003 1.491,1004 1.523,1005 1.559,1006 1.47,1007 1.47,1008 1.64,1009 0.226,1010 4.386,1011 1.448,1012 4.089,1013 4.131,1014 3.986,1015 4.006,1016 7.428,1017 3.994,1018 4.004,1019 4.041,1020 3.932,1021 3.909,1022 5.873,1023 3.909,1024 3.899,1025 3.937,1026 3.819,1027 3.822,1028 4.794,1029 3.817,1030 3.74,1031 3.799,1032 3.584,1033 3.615,1034 4.747,1035 3.598,1036 3.528,1037 3.585,1038 3.376,1039 3.36,1040 4.609,1041 3.353,1042 3.369,1043 3.432,1044 3.221,1045 3.231,1046 4.362,1047 3.217,1048 3.23,1049 3.338,1050 3.111,1051 3.096,1052 4.159,1053 3.073,1054 3.228,1055 3.304,1056 3.047,1057 3.096,1058 4.114,1059 3.073,1060 0.125,1061 0.111,1062 0.209,1063 0.123,1064 0.096,1065 4.751,1066 0.103,1067 4.226,1068 0.053,1069 7.96,1070 0.393,1071 4.662,1072 0.096,1073 3.665,1074 3.911,1075 2.022,1076 14.927,1077 3.652,1078 2.072,1079 2.033,1080 2.242,1081 2.179,1082 1.716,1083 2.203,1084 1.936,1085 1.905,1086 2.08,1087 2.034,1088 1.401,1089 2.049,1090 1.753,1091 1.695,1092 1.979,1093 1.917,1094 1.218,1095 1.941,1096 1.558,1097 1.515,1098 1.784,1099 1.776,1100 1.049,1101 1.767,1102 1.496,1103 1.443,1104 1.652,1105 1.707,1106 1.004,1107 1.709,1108 1.375,1109 1.315,1110 1.628,1111 1.563,1112 0.947,1113 1.59,1114 1.262,1115 1.192,1116 1.562,1117 1.445,1118 0.947,1119 1.489,1120 1.262,1121 1.192,1122 1.562,1123 1.445,1124 0.841,1125 1.489,1126 4.344,1127 1.946,1128 5.694,1129 3.932,1130 7.259,1131 5.938,1132 8.938,1133 7.91,1134 10.679,1138 5.595,1140 19.515,1141 2.919,1142 6.222,1143 3.059,1145 -0.196,1148 44.03,1149 101.577,1150 227.402,1151 310.557,1152 386.994,1153 396.503,1154 396.503,1155 70.512,1156 7.972,1157 88.2,1158 88.2,1159 27,1160 12.94,1161 3.17,1162 2.585,1163 50.897,1164 224,1165 152,1166 0.106,1167 265.72,1168 474.94,1169 640.116,1170 42426,1172 23.598,1173 0.694,1174 0.61,1175 23.598,1176 20.749,1177 16.463,1178 0.433,1179 0.363,1180 13.703,1181 16.125,1182 13.396,1183 11.034,1184 16.463,1185 13.791,1186 15.342,1187 0.279,1188 0.221,1189 15.342,1190 12.135,1191 12.346,1192 0.176,1193 0.128,1194 12.346,1195 8.989,1196 10.543,1197 0.117,1198 0.083,1199 10.543,1200 7.443,1201 7.547,1202 0.071,1203 0.051,1204 7.547,1205 5.392,1206 0.181,1207 101.339,1208 0.197,1209 33.179,1210 0.255,1211 186,1212 365.449,1213 195.256,1214 359.297,1215 490.88,1216 336,1217 221,1218 355.498,1219 230.811,1220 366.136,1221 536.76,1222 344,1223 5.824} {0 CHEMBL1774563,1 1.315,2 16.037,3 4.525,4 20.477,5 110.885,6 5.583,8 4.246,9 4.403,10 3.531,11 3.711,12 5.09,13 3.63,14 4.862,15 5.088,16 3.751,17 4.105,18 5.62,19 3.956,20 5.201,21 5.494,22 3.833,23 4.226,24 5.926,25 4.045,26 5.23,27 5.537,28 3.651,29 4.144,30 6.088,31 3.938,32 5.091,33 5.41,34 3.459,35 4.026,36 5.735,37 3.807,38 4.966,39 5.274,40 3.399,41 3.979,42 5.588,43 3.759,44 4.96,45 5.277,46 3.358,47 3.961,48 5.564,49 3.732,50 4.926,51 5.246,52 3.311,53 3.912,54 5.532,55 3.681,56 0.095,57 0.925,58 17.515,59 6.912,60 9.41,61 10.09,62 0.287,63 1.41,64 30.27,65 11.422,66 28.815,67 16.787,68 0.334,69 1.671,70 40.026,71 13.238,72 31.215,73 20.573,74 0.645,75 1.556,76 41.045,77 12.579,78 88.853,79 19.547,80 0.389,81 1.347,82 34.571,83 11.427,84 37.331,85 17.524,86 0.285,87 1.275,88 30.625,89 10.792,90 27.321,91 16.396,92 0.262,93 1.258,94 30.113,95 10.704,96 26.103,97 16.309,98 0.259,99 1.2,100 29.012,101 10.193,102 25.948,103 15.588,104 11,105 35,106 0.214,107 0.373,108 0.531,109 0.701,110 0.796,111 0.846,112 3.337,113 1.217,114 -4.38,115 -4.31,116 -4.07,117 32.4,119 15,120 1,121 1,123 3,142 2,146 1,147 1,148 1,151 16,153 3,154 1,155 1,156 4,157 1,158 12,159 1,161 5,165 7,167 8,168 2,170 4,171 1,172 2,173 2,174 1,175 1,176 6,179 3,183 1,185 9,188 2,191 3,193 10,194 1,196 2,199 3,200 10,201 1,203 2,205 3,206 9,207 1,209 2,213 3,214 9,215 1,216 1332,217 18.346,218 18.346,219 18.346,220 18.346,221 18.346,222 18.061,223 13.693,224 11.624,225 18.568,226 13.8,227 13.8,228 13.8,229 13.8,230 13.8,231 13.298,232 13.424,233 5.534,234 14.107,235 4.772,236 3.796,237 2.82,238 1.775,239 1.194,240 0.882,241 3.998,244 1,245 1,246 897,247 4.743,248 66.763,251 120.029,256 2.702,257 23.654,259 1,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.86,267 57.5,268 433,269 4.747,270 4.223,271 7.959,272 4.66,273 3.663,274 3.898,275 2.022,276 14.92,277 3.651,278 3.522,279 3.04,280 5.34,281 3.509,282 2.522,283 2.522,284 1.252,285 6.965,286 2.491,287 3.314,288 2.658,289 5.19,290 2.994,291 2.011,292 2.418,293 0.86,294 5.154,295 1.971,296 2.945,297 2.155,298 4.538,299 2.9,300 1.913,301 1.945,302 0.167,303 3.885,304 1.884,305 2.856,306 1.997,307 3.949,308 2.719,309 1.748,310 1.835,312 3.686,313 1.695,314 2.757,315 1.927,316 3.813,317 2.542,318 1.577,319 1.741,321 3.534,322 1.519,323 2.572,324 1.737,325 3.66,326 2.463,327 1.502,328 1.565,330 3.201,331 1.436,332 2.411,333 1.502,334 3.51,335 2.36,336 1.372,337 1.401,339 2.863,340 1.348,341 2.134,342 1.345,343 3.27,344 2.054,345 1.092,346 1.116,347 2.257,348 1.04,349 2,350 1.004,351 3.247,352 2,353 1,354 1,355 2.136,356 1,357 1.779,358 1,359 3,360 1.698,361 0.737,362 0.752,363 1.525,364 0.702,365 1.391,366 0.633,367 2.989,368 1.322,369 0.353,370 0.359,371 0.738,372 0.34,373 1,374 0.373,375 2.682,376 0.946,377 -0.022,378 -0.022,379 -0.047,380 -0.021,381 1,382 0.198,383 2.36,384 0.766,385 -0.238,386 -0.255,387 -0.532,388 -0.235,389 0.636,390 -0.166,391 2.161,392 0.552,393 -0.441,394 -0.467,395 -0.924,396 -0.435,397 12.867,398 0.477,399 0.436,400 0.016,401 18.75,402 0.694,403 3,404 0.111,405 15.75,406 0.583,407 33.414,408 1.238,409 33.933,410 0.499,411 9.71,412 0.36,413 2.289,414 0.085,415 10.86,416 0.402,417 0.088,418 0.039,419 0.117,420 0.882,421 1.461,422 1.153,423 1.394,424 0.768,425 1.308,426 0.875,427 1.353,428 1.195,429 1.387,430 0.541,431 1.341,432 0.93,433 1.205,434 0.954,435 1.129,436 0.872,437 1.056,438 1.387,439 0.87,440 1.102,441 0.941,442 1.247,443 0.988,444 1.256,445 0.841,446 0.974,447 0.866,448 1.023,449 0.894,450 0.926,451 0.974,452 1.002,453 1.008,454 0.78,455 1.016,456 0.761,457 0.974,458 0.956,459 1.007,460 0.736,461 1.004,462 0.78,463 0.95,464 0.938,465 0.978,466 0.758,467 0.976,468 4,469 0.074,470 1.889,471 1.576,472 0.436,473 0.281,474 0.198,475 0.147,476 0.113,477 0.09,478 12101,479 21353,480 1.987,481 60.3,482 26,483 6,486 4,488 5,490 1.686,491 1.895,492 3.924,493 1.624,497 89.425,498 1.315,499 2.292,500 3.268,501 4.313,502 4.893,503 5.205,504 3.334,505 4.014,506 4.731,507 4.176,508 1465.78,509 8.126,510 23184.5,513 413.947,514 1.201,515 4.695,516 0.143,517 0.004,518 0.059,519 0.048,520 0.017,521 0.013,522 0.009,523 0.007,524 0.006,525 0.005,526 0.312,528 0.88,529 0.704,530 144.098,531 -0.039,532 0.032,533 0.019,534 0.02,535 -0.025,536 0.029,537 0.051,538 -0.126,539 -0.123,540 -0.166,541 0.085,542 -0.168,543 0.031,544 -0.191,545 0.041,546 -0.108,547 0.028,548 -0.043,549 0.011,550 0.072,551 -0.077,552 -0.024,553 0.111,554 -0.058,555 -0.098,556 0.06,557 -0.002,558 0.069,559 -0.064,560 0.046,561 -0.061,562 -0.004,563 -0.042,564 -0.007,565 -0.039,566 -0.021,567 -0.026,568 -0.015,569 -0.018,570 -0.014,571 -0.023,572 -0.015,573 -0.023,574 -0.005,575 -0.002,576 0.001,577 -0.023,578 0.002,579 1.903,580 4.999,581 0.333,582 34.049,583 0.982,584 1.144,585 3.152,586 9.934,587 0.594,588 3.367,589 3.584,590 3.714,591 3.714,592 3.526,593 3.367,594 3.332,595 3.296,596 3.258,597 3.219,598 9.735,599 0.537,600 379.66,601 3.367,602 4.844,603 5.645,604 6.469,605 7.3,606 8.146,607 8.998,608 9.86,609 10.728,610 11.606,611 4.4,612 1,617 1,619 1,638 68,639 2,641 28,642 69,643 22,648 2,649 2,653 1,654 1,655 7,656 1,657 15,659 2,660 20,661 1,662 2,663 1,664 1,667 2,670 41,671 5,672 4,673 5,677 3,679 1,681 1,682 2,690 1,693 1,700 1,704 1,709 1,710 2,715 27,716 1,718 18,719 1,720 1,721 1,723 1,731 2.9,734 1,735 1,737 14.25,738 11.25,739 6.333,740 4.917,741 0.113,742 1.018,743 0.904,744 10.548,745 6.441,746 3.434,747 3.689,748 3.871,749 3.932,750 3.584,751 3.434,752 3.401,753 3.367,754 3.332,755 3.296,756 1,757 33,758 10.14,759 4.165,760 7.534,761 20.499,762 17.207,763 2.034,764 54.917,768 435.531,769 56.341,770 82.58,772 36.145,774 56.341,775 471.676,776 82.58,778 100.216,780 43.177,781 31.672,783 435.531,785 435.531,786 138.921,787 36.145,790 376.675,791 84,792 11,793 131.888,794 7.033,797 435.531,798 118.725,799 56.341,801 435.531,802 56.341,804 18.011,805 100.714,806 435.531,807 118.725,808 56.341,810 0.552,811 0.303,812 0.145,813 0.058,814 12,815 5,816 0.217,817 15,819 1,820 4.313,821 183.097,823 9,824 120.382,826 22.522,827 12.645,828 8.849,830 118.725,838 82.58,839 610.597,840 30,841 7.51,842 11.999,845 -0.014,846 66.748,847 77.803,848 0.216,849 0.376,850 0.537,851 0.708,852 0.804,853 0.855,854 4.654,855 1.372,856 5.595,857 3.201,858 4.263,859 4.369,860 2.48,861 6.395,862 4.227,863 5.746,864 1.092,865 7.162,866 2.863,867 3.892,868 4.111,869 1.854,870 7.943,871 3.878,872 7.018,873 1,874 8.894,875 2.257,876 5.905,877 6.129,878 3.333,879 11.013,880 5.86,881 8.347,882 0.737,883 10.746,884 2.136,885 6.553,886 6.878,887 3.33,888 13.481,889 6.532,890 9.741,891 0.353,892 12.68,893 1.525,894 8.057,895 8.408,896 4.486,897 16.257,898 8.017,899 11.181,900 -0.022,901 14.667,902 0.738,903 9.134,904 9.571,905 4.797,906 18.911,907 9.108,908 12.655,909 -0.238,910 16.687,911 -0.047,912 10.484,913 10.967,914 5.773,915 21.63,916 10.448,917 3.663,918 -0.441,919 18.727,920 -0.532,921 11.712,922 12.267,923 6.251,924 24.322,925 11.679,926 2.522,927 14.92,928 20.78,929 -0.924,930 13.021,931 13.633,932 7.119,933 27.029,934 12.983,935 2.011,936 6.965,937 22.841,938 3.898,939 14.296,940 14.975,941 7.691,942 29.729,943 14.257,944 1.913,945 5.154,946 24.907,947 2.522,948 15.595,949 16.335,950 8.492,951 32.433,952 15.553,953 1.748,954 3.885,955 26.976,956 2.418,957 16.886,958 17.689,959 9.119,960 35.135,961 16.841,962 1.577,963 3.686,964 29.046,965 1.945,966 18.183,967 19.049,968 9.881,969 37.838,970 18.135,971 1.502,972 3.534,973 31.118,974 1.835,975 19.479,976 20.407,977 10.539,978 40.54,979 19.427,980 11896,981 15985,982 18.545,983 40.393,984 39.143,985 40.147,986 41.294,987 38.956,988 38.983,989 41.104,990 8.601,991 101.728,992 38.153,993 5.747,994 6.223,995 7.911,996 5.696,997 5.663,998 5.898,999 3.577,1000 22.399,1001 5.651,1002 12.396,1003 1.398,1004 1.434,1005 1.475,1006 1.391,1007 1.392,1008 1.468,1009 0.307,1010 3.633,1011 1.363,1012 3.988,1013 4.031,1014 3.912,1015 3.873,1016 7.428,1017 3.876,1018 3.893,1019 3.946,1020 3.751,1021 3.778,1022 5.873,1023 3.763,1024 3.794,1025 3.858,1026 3.631,1027 3.677,1028 4.793,1029 3.657,1030 3.658,1031 3.726,1032 3.492,1033 3.512,1034 4.59,1035 3.496,1036 3.482,1037 3.552,1038 3.317,1039 3.291,1040 4.258,1041 3.283,1042 3.322,1043 3.394,1044 3.154,1045 3.129,1046 4.206,1047 3.118,1048 3.221,1049 3.335,1050 3.074,1051 2.973,1052 4.137,1053 2.967,1054 3.178,1055 3.262,1056 2.991,1057 2.941,1058 4.041,1059 2.932,1060 0.17,1061 0.151,1062 0.284,1063 0.166,1064 0.131,1065 4.747,1066 0.139,1067 4.223,1068 0.072,1069 7.959,1070 0.533,1071 4.66,1072 0.13,1073 3.663,1074 3.898,1075 2.022,1076 14.92,1077 3.651,1078 1.888,1079 1.836,1080 2.111,1081 2.035,1082 1.507,1083 2.063,1084 1.814,1085 1.753,1086 2.06,1087 1.974,1088 1.425,1089 2.006,1090 1.687,1091 1.626,1092 1.941,1093 1.883,1094 1.281,1095 1.901,1096 1.558,1097 1.511,1098 1.77,1099 1.778,1100 1.069,1101 1.772,1102 1.439,1103 1.374,1104 1.649,1105 1.671,1106 0.942,1107 1.679,1108 1.307,1109 1.234,1110 1.602,1111 1.547,1112 0.854,1113 1.567,1114 1.169,1115 1.08,1116 1.513,1117 1.434,1118 0.825,1119 1.457,1120 1.153,1121 1.064,1122 1.513,1123 1.376,1124 0.825,1125 1.429,1126 4.043,1127 1.946,1128 5.283,1129 3.932,1130 6.73,1131 5.938,1132 8.289,1133 7.91,1134 9.921,1138 5.519,1140 20.922,1141 2.947,1142 5.852,1143 0.834,1145 -0.653,1148 36.503,1149 89.425,1150 155.839,1151 222.211,1152 293.279,1153 332.728,1154 353.947,1155 80.183,1156 6.328,1157 88.2,1158 88.2,1159 9,1160 12.148,1161 1.585,1162 1.585,1163 59.493,1164 162,1165 127,1166 0.168,1167 229.536,1168 409.74,1169 551.827,1170 5178,1172 19.374,1173 0.718,1174 0.637,1175 19.374,1176 17.199,1177 13.15,1178 0.47,1179 0.406,1180 11.264,1181 12.801,1182 11.061,1183 9.22,1184 13.15,1185 11.356,1186 10.759,1187 0.307,1188 0.247,1189 10.759,1190 8.659,1191 8.183,1192 0.205,1193 0.151,1194 8.183,1195 6.03,1196 5.877,1197 0.147,1198 0.1,1199 5.877,1200 3.983,1201 3.364,1202 0.102,1203 0.075,1204 3.364,1205 2.485,1206 0.291,1207 81.506,1208 0.232,1209 27.94,1210 0.398,1211 126,1212 271.449,1213 134.923,1214 259.762,1215 341.56,1216 242,1217 141,1218 232.935,1219 150.146,1220 235.958,1221 341.26,1222 222,1223 6.959} {0 CHEMBL1774564,1 1.328,2 15.346,3 4.069,4 16.557,5 106.284,6 5.625,8 4.204,9 4.36,10 3.496,11 3.667,12 5.057,13 3.589,14 4.817,15 5.042,16 3.719,17 4.06,18 5.586,19 3.915,20 5.142,21 5.436,22 3.757,23 4.148,24 5.881,25 3.966,26 5.146,27 5.454,28 3.598,29 4.049,30 6.036,31 3.853,32 5.001,33 5.313,34 3.403,35 3.963,36 5.664,37 3.751,38 4.915,39 5.223,40 3.357,41 3.942,42 5.537,43 3.72,44 4.926,45 5.246,46 3.311,47 3.912,48 5.532,49 3.681,50 4.864,51 5.183,52 3.26,53 3.848,54 5.483,55 3.621,56 0.09,57 0.886,58 16.738,59 6.571,60 9.056,61 9.601,62 0.28,63 1.348,64 28.993,65 10.866,66 28.519,67 15.987,68 0.324,69 1.553,70 37.859,71 12.224,72 30.342,73 19.154,74 0.636,75 1.415,76 38.075,77 11.289,78 88.481,79 17.673,80 0.369,81 1.258,82 31.975,83 10.576,84 36.016,85 16.218,86 0.253,87 1.227,88 29.201,89 10.392,90 25.307,91 15.813,92 0.262,93 1.198,94 29.135,95 10.2,96 26.414,97 15.62,98 0.252,99 1.124,100 27.445,101 9.507,102 25.565,103 14.598,104 11,105 34,106 0.218,107 0.384,108 0.548,109 0.721,110 0.807,111 0.843,112 3.301,113 1.206,114 -4.16,115 -4.11,116 -3.88,117 32.3,119 14,120 1,121 1,123 3,142 2,146 1,147 1,148 1,151 15,153 3,154 1,155 1,156 4,157 1,158 11,159 1,161 5,165 7,167 5,168 2,170 4,171 1,172 2,173 2,174 1,175 1,176 6,179 2,183 1,185 9,188 2,191 3,193 10,194 1,196 2,199 3,200 9,201 1,203 2,205 3,206 8,207 1,209 2,213 3,214 8,215 1,216 1196,217 17.639,218 17.639,219 17.639,220 17.639,221 17.639,222 17.354,223 13.693,224 11.124,225 17.861,226 13.3,227 13.3,228 13.3,229 13.3,230 13.3,231 12.798,232 13.424,233 5.284,234 13.607,235 4.694,236 3.686,237 2.686,238 1.631,239 1.108,240 0.892,241 3.958,244 1,245 1,246 828,247 4.743,248 64.365,250 99.174,256 2.627,257 23.478,259 1,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.86,267 55.5,268 399,269 4.747,270 4.223,271 7.959,272 4.66,273 3.663,274 3.898,275 2.022,276 14.92,277 3.651,278 3.542,279 3.04,280 5.352,281 3.53,282 2.542,283 2.542,284 1.252,285 6.997,286 2.513,287 3.314,288 2.67,289 5.19,290 2.994,291 2.011,292 2.418,293 0.86,294 5.154,295 1.971,296 2.945,297 2.161,298 4.538,299 2.9,300 1.913,301 1.945,302 0.167,303 3.885,304 1.883,305 2.856,306 1.997,307 3.949,308 2.715,309 1.743,310 1.835,312 3.685,313 1.693,314 2.753,315 1.927,316 3.809,317 2.498,318 1.555,319 1.737,321 3.524,322 1.46,323 2.531,324 1.733,325 3.621,326 2.426,327 1.464,328 1.52,330 3.084,331 1.398,332 2.299,333 1.449,334 3.434,335 2.262,336 1.267,337 1.288,339 2.655,340 1.256,341 2.066,342 1.21,343 3.215,344 2.006,345 1.031,346 1.05,347 2.144,348 0.998,349 1.74,350 0.95,351 3,352 1.66,353 0.7,354 0.714,355 1.45,356 0.666,357 1.618,358 0.618,359 3,360 1.618,361 0.618,362 0.618,363 1.372,364 0.618,365 1.358,366 0.594,367 2.941,368 1.285,369 0.32,370 0.325,371 0.667,372 0.307,373 1,374 0.361,375 2.635,376 0.908,377 -0.058,378 -0.059,379 -0.125,380 -0.056,381 0.959,382 0.174,383 2.321,384 0.754,385 -0.254,386 -0.275,387 -0.564,388 -0.252,389 0.572,390 -0.185,391 2.15,392 0.475,393 -0.51,394 -0.54,395 -1.069,396 -0.497,397 12.367,398 0.476,399 0.436,400 0.017,401 18.25,402 0.702,403 3,404 0.115,405 15.25,406 0.587,407 31.33,408 1.205,409 32.633,410 0.502,411 9.572,412 0.368,413 2.289,414 0.088,415 10.36,416 0.398,417 0.092,418 0.04,419 0.121,420 0.881,421 1.459,422 1.142,423 1.389,424 0.767,425 1.299,426 0.875,427 1.347,428 1.184,429 1.381,430 0.541,431 1.334,432 0.946,433 1.229,434 0.965,435 1.149,436 0.887,437 1.072,438 1.442,439 0.816,440 1.079,441 0.882,442 1.301,443 0.935,444 1.266,445 0.853,446 1.013,447 0.88,448 1.062,449 0.921,450 0.77,451 1.019,452 0.996,453 1.059,454 0.742,455 1.055,456 0.752,457 0.947,458 0.931,459 0.979,460 0.728,461 0.977,462 0.794,463 0.949,464 0.939,465 0.976,466 0.773,467 0.975,468 4,469 0.073,470 1.889,471 1.611,472 0.41,473 0.271,474 0.193,475 0.144,476 0.112,477 0.089,478 10899,479 19595,480 1.987,481 60,482 24,483 6,486 4,488 5,490 1.675,491 1.891,492 3.861,493 1.659,495 1,497 86.33,498 1.328,499 2.336,500 3.336,501 4.392,502 4.915,503 5.13,504 3.225,505 3.931,506 4.676,507 4.127,508 1341.38,509 8.017,510 20530.4,513 391.454,514 1.23,515 4.639,516 0.148,517 0.005,518 0.061,519 0.054,520 0.017,521 0.013,522 0.01,523 0.008,524 0.006,525 0.005,526 0.326,527 0.17,528 0.88,529 0.721,530 136.921,531 -0.042,532 0.033,533 0.02,534 0.021,535 -0.027,536 0.03,537 0.051,538 -0.121,539 -0.118,540 -0.162,541 0.085,542 -0.164,543 0.027,544 -0.225,545 0.027,546 -0.139,547 0.025,548 -0.067,549 0.01,550 0.114,551 -0.049,552 0.017,553 0.112,554 -0.02,555 -0.124,556 0.069,557 -0.033,558 0.072,559 -0.078,560 0.033,561 -0.037,562 -0.035,563 -0.05,564 -0.042,565 -0.03,566 -0.047,567 -0.02,568 -0.005,569 -0.001,570 0.001,571 -0.02,572 0.003,573 -0.027,574 -0.005,575 -0.003,576 0.001,577 -0.026,578 0.002,579 1.902,580 4.983,581 0.308,582 32.154,583 0.983,584 1.144,585 2.933,586 8.602,587 0.594,588 3.332,589 3.555,590 3.689,591 3.689,592 3.332,593 3.296,594 3.258,595 3.219,596 3.178,597 3.135,598 9.435,599 0.538,600 365.63,601 3.332,602 4.812,603 5.617,604 6.444,605 7.279,606 8.127,607 8.982,608 9.847,609 10.718,610 11.597,611 4.6,612 1,617 1,619 1,638 65,639 2,641 27,642 66,643 21,648 2,649 2,653 1,654 1,655 6,656 1,657 14,659 2,660 19,661 1,662 2,663 1,664 1,667 2,670 39,671 5,672 4,673 5,677 3,679 1,681 1,682 2,690 1,692 1,700 1,704 1,709 1,710 2,715 26,716 1,718 17,719 1,720 1,721 1,723 1,731 3.1,734 1,735 1,737 13.75,738 10.75,739 6.083,740 4.667,741 0.118,742 1.019,743 0.904,744 9.809,745 6.339,746 3.401,747 3.664,748 3.85,749 3.912,750 3.401,751 3.367,752 3.332,753 3.296,754 3.258,755 3.219,756 0.9,757 30,758 9.761,759 4.021,760 7.554,761 19.682,762 16.54,763 2.054,764 53.417,768 411.989,769 53.806,770 82.58,772 36.145,774 53.806,775 448.133,776 82.58,778 97.682,780 43.177,781 31.672,783 411.989,785 411.989,786 136.386,787 36.145,790 353.133,791 84,792 11,793 129.354,794 7.033,797 411.989,798 118.725,799 53.806,801 411.989,802 53.806,804 18.011,805 100.714,806 411.989,807 118.725,808 53.806,810 0.554,811 0.305,812 0.145,813 0.05,814 12,815 5,816 0.227,817 15,819 1,820 4.224,821 173.946,823 8,824 114.211,826 21.533,827 11.844,828 8.21,830 118.725,838 82.58,839 584.52,840 29,841 7.502,842 11.983,845 -0.015,846 63.865,847 74.387,848 0.221,849 0.388,850 0.554,851 0.729,852 0.816,853 0.852,854 4.625,855 1.267,856 5.572,857 3.084,858 4.234,859 4.344,860 2.48,861 6.382,862 4.197,863 5.724,864 1.031,865 7.146,866 2.655,867 3.892,868 4.111,869 1.854,870 7.943,871 3.878,872 7.001,873 0.7,874 8.884,875 2.144,876 5.889,877 6.116,878 3.333,879 11.011,880 5.842,881 8.337,882 0.618,883 10.741,884 1.45,885 6.567,886 6.889,887 3.33,888 13.482,889 6.547,890 9.736,891 0.32,892 12.678,893 1.372,894 8.05,895 8.404,896 4.486,897 16.257,898 8.01,899 11.179,900 -0.058,901 14.666,902 0.667,903 9.143,904 9.576,905 4.797,906 18.912,907 9.117,908 12.656,909 -0.254,910 16.687,911 -0.125,912 10.483,913 10.966,914 5.773,915 21.63,916 10.447,917 3.663,918 -0.51,919 18.728,920 -0.564,921 11.717,922 12.27,923 6.251,924 24.322,925 11.684,926 2.542,927 14.92,928 20.781,929 -1.069,930 13.021,931 13.633,932 7.119,933 27.029,934 12.983,935 2.011,936 6.997,937 22.841,938 3.898,939 14.298,940 14.976,941 7.691,942 29.729,943 14.26,944 1.913,945 5.154,946 24.907,947 2.542,948 15.596,949 16.335,950 8.492,951 32.433,952 15.553,953 1.743,954 3.885,955 26.976,956 2.418,957 16.887,958 17.69,959 9.119,960 35.135,961 16.842,962 1.555,963 3.685,964 29.046,965 1.945,966 18.184,967 19.049,968 9.881,969 37.838,970 18.135,971 1.464,972 3.524,973 31.118,974 1.835,975 19.479,976 20.407,977 10.539,978 40.54,979 19.428,980 10707,981 14518,982 17.852,983 38.631,984 37.76,985 38.567,986 39.802,987 37.642,988 37.657,989 39.779,990 8.601,991 99.076,992 36.828,993 5.747,994 6.156,995 7.912,996 5.713,997 5.663,998 5.898,999 3.577,1000 22.399,1001 5.605,1002 12.032,1003 1.399,1004 1.428,1005 1.474,1006 1.394,1007 1.395,1008 1.473,1009 0.319,1010 3.669,1011 1.364,1012 3.988,1013 4.03,1014 3.912,1015 3.873,1016 7.428,1017 3.875,1018 3.895,1019 3.948,1020 3.756,1021 3.781,1022 5.873,1023 3.767,1024 3.794,1025 3.858,1026 3.631,1027 3.677,1028 4.793,1029 3.658,1030 3.656,1031 3.725,1032 3.49,1033 3.512,1034 4.592,1035 3.495,1036 3.475,1037 3.547,1038 3.308,1039 3.285,1040 4.258,1041 3.276,1042 3.284,1043 3.358,1044 3.127,1045 3.05,1046 4.197,1047 3.051,1048 3.218,1049 3.33,1050 3.063,1051 2.918,1052 4.135,1053 2.932,1054 3.127,1055 3.207,1056 2.938,1057 2.899,1058 4.039,1059 2.908,1060 0.176,1061 0.156,1062 0.295,1063 0.173,1064 0.136,1065 4.747,1066 0.144,1067 4.223,1068 0.075,1069 7.959,1070 0.553,1071 4.66,1072 0.135,1073 3.663,1074 3.898,1075 2.022,1076 14.92,1077 3.651,1078 1.816,1079 1.756,1080 2.062,1081 1.979,1082 1.425,1083 2.009,1084 1.707,1085 1.652,1086 1.951,1087 1.902,1088 1.307,1089 1.917,1090 1.651,1091 1.594,1092 1.893,1093 1.834,1094 1.272,1095 1.851,1096 1.577,1097 1.507,1098 1.86,1099 1.757,1100 1.211,1101 1.793,1102 1.551,1103 1.503,1104 1.759,1105 1.751,1106 1.063,1107 1.758,1108 1.421,1109 1.35,1110 1.638,1111 1.645,1112 0.857,1113 1.661,1114 1.195,1115 1.111,1116 1.514,1117 1.482,1118 0.825,1119 1.493,1120 1.153,1121 1.064,1122 1.513,1123 1.376,1124 0.771,1125 1.429,1126 4.007,1127 1.946,1128 5.252,1129 4.111,1130 6.691,1131 6.138,1132 8.242,1133 8.085,1134 9.871,1138 5.513,1140 19.5,1141 2.944,1142 5.796,1143 0.844,1145 -0.652,1148 34.976,1149 86.33,1150 151.871,1151 216.848,1152 285.454,1153 319.454,1154 333.454,1155 75.191,1156 6.221,1157 88.2,1158 88.2,1159 8,1160 12.137,1161 1.585,1162 1.585,1163 56.025,1164 151,1165 114,1166 0.17,1167 219.943,1168 392.44,1169 528.422,1170 4406,1172 18.667,1173 0.718,1174 0.634,1175 18.667,1176 16.492,1177 12.65,1178 0.469,1179 0.402,1180 10.764,1181 12.301,1182 10.571,1183 8.803,1184 12.65,1185 10.856,1186 10.406,1187 0.306,1188 0.244,1189 10.406,1190 8.306,1191 7.933,1192 0.203,1193 0.148,1194 7.933,1195 5.78,1196 5.7,1197 0.146,1198 0.098,1199 5.7,1200 3.807,1201 2.751,1202 0.102,1203 0.069,1204 2.751,1205 1.873,1206 0.295,1207 78.506,1208 0.237,1209 27.069,1210 0.404,1211 122,1212 267.449,1213 130.923,1214 255.6,1215 335.8,1216 238,1217 137,1218 228.935,1219 146.146,1220 231.796,1221 335.5,1222 218,1223 6.347} {0 CHEMBL1774565,1 1.341,2 16.633,3 5.07,4 25.7,5 121.943,6 5.995,7 0.188,8 4.276,9 4.422,10 3.638,11 3.787,12 5.185,13 3.718,14 4.866,15 5.073,16 3.903,17 4.178,18 5.708,19 4.054,20 5.196,21 5.469,22 3.955,23 4.314,24 5.996,25 4.153,26 5.242,27 5.536,28 3.815,29 4.242,30 6.059,31 4.064,32 5.111,33 5.407,34 3.726,35 4.13,36 5.977,37 3.953,38 4.946,39 5.214,40 3.647,41 4.1,42 5.711,43 3.922,44 4.982,45 5.271,46 3.548,47 4.069,48 5.731,49 3.867,50 4.929,51 5.238,52 3.416,53 3.967,54 5.6,55 3.754,56 0.089,57 0.962,58 17.243,59 7.028,60 10.215,61 10.089,62 0.268,63 1.513,64 30.388,65 11.874,66 30.2,67 17.147,68 0.377,69 1.869,70 41.205,71 14.655,72 43.936,73 21.906,74 0.45,75 1.79,76 43.022,77 14.072,78 56.65,79 21.404,80 0.497,81 1.534,82 37.439,83 13.049,84 77.636,85 19.217,86 0.249,87 1.446,88 31.679,89 12.125,90 33.362,91 17.719,92 0.261,93 1.463,94 32.542,95 11.863,96 37.407,97 17.852,98 0.26,99 1.326,100 30.507,101 11.074,102 32.326,103 16.648,104 11,105 42,106 0.215,107 0.469,108 0.622,109 0.776,110 0.834,111 0.843,112 3.439,113 1.118,114 -5.01,115 -4.91,116 -4.6,117 36.2,119 13,120 1,123 2,125 1,130 4,131 2,142 2,146 1,147 1,148 1,151 19,153 3,154 1,155 1,156 3,157 1,158 19,161 5,164 2,165 6,166 1,167 14,168 2,170 7,174 2,176 11,179 3,180 1,181 2,183 3,185 14,186 1,188 2,191 5,193 15,194 2,196 2,199 5,200 13,201 2,203 2,205 3,206 11,207 1,209 3,213 3,214 9,215 1,216 1750,217 20.371,218 20.371,219 20.371,220 20.371,221 20.371,222 19.387,223 16.139,224 12.515,225 20.579,226 15.776,227 15.776,228 15.776,229 15.776,230 15.776,231 14.24,232 14.886,233 5.96,234 16.088,235 4.768,236 3.179,237 2.225,238 1.261,239 0.899,240 0.841,241 4.115,244 1,245 1,246 1060,247 4.528,248 71.566,251 255.643,256 2.791,257 24.797,259 1,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.86,267 63.5,268 499,269 4.634,270 3.933,271 7.662,272 4.548,273 3.575,274 3.82,275 1.367,276 13.971,277 3.477,278 4.158,279 3.47,280 6.022,281 3.794,282 2.786,283 3.659,284 1.041,285 8.548,286 2.803,287 3.705,288 2.723,289 5.34,290 3.509,291 2.522,292 3.04,293 0.86,294 6.965,295 2.491,296 3.522,297 2.658,298 5.314,299 3.387,300 2.382,301 2.522,302 0.125,303 6.853,304 2.391,305 2.995,306 2.154,307 4.688,308 2.861,309 1.881,310 2.021,312 3.935,313 1.845,314 2.896,315 2.073,316 4.249,317 2.588,318 1.631,319 1.895,321 3.779,322 1.555,323 2.799,324 1.967,325 3.9,326 2.513,327 1.573,328 1.796,330 3.556,331 1.481,332 2.614,333 1.738,334 3.695,335 2.441,336 1.447,337 1.612,339 3.285,340 1.43,341 2.5,342 1.459,343 3.524,344 2.314,345 1.319,346 1.5,347 2.926,348 1.302,349 2.423,350 1.181,351 3.414,352 2,353 1.012,354 1.419,355 2.275,356 1,357 2.056,358 1,359 3.343,360 2,361 1,362 1.043,363 2.14,364 1,365 2,366 1,367 3.247,368 1.959,369 1,370 1,371 2.136,372 0.948,373 1.576,374 0.783,375 3.148,376 1.492,377 0.529,378 0.545,379 1.142,380 0.506,381 1.387,382 0.7,383 3,384 1.21,385 0.23,386 0.249,387 0.566,388 0.224,389 1.138,390 0.302,391 2.771,392 0.995,393 0.015,394 0.016,395 0.033,396 0.015,397 14.367,398 0.479,399 0.583,400 0.019,401 26.75,402 0.892,403 9,404 0.3,405 17.75,406 0.592,407 33.518,408 1.117,409 35.433,410 0.514,411 17.188,412 0.573,413 4.139,414 0.138,415 10.45,416 0.348,417 0.079,418 0.035,419 0.174,420 0.868,421 1.289,422 1.051,423 1.227,424 0.771,425 1.161,426 0.861,427 1.306,428 1.109,429 1.294,430 0.527,431 1.246,432 0.911,433 1.084,434 0.993,435 1.088,436 0.784,437 1.055,438 1.356,439 0.942,440 1.044,441 0.964,442 1.216,443 0.968,444 1.251,445 0.782,446 0.893,447 0.807,448 1.089,449 0.826,450 0.937,451 1.097,452 1.032,453 1.105,454 0.827,455 1.093,456 0.812,457 1.079,458 1.037,459 1.089,460 0.825,461 1.087,462 0.798,463 0.914,464 0.935,465 0.946,466 0.796,467 0.954,468 5.5,469 0.078,470 2.778,471 1.285,472 0.973,473 0.66,474 0.294,475 0.254,476 0.187,477 0.116,478 15899,479 29514,480 2.043,481 56.5,482 20,483 8,486 4,488 7,490 1.715,491 1.946,492 3.97,493 1.531,497 92.506,498 1.341,499 2.929,500 3.883,501 4.847,502 5.21,503 5.268,504 3.394,505 4.19,506 4.878,507 4.217,508 1834.34,509 8.437,510 30161.5,513 421.488,514 1.287,515 4.847,516 0.172,517 0.004,518 0.071,519 0.033,520 0.03,521 0.021,522 0.01,523 0.01,524 0.008,525 0.006,526 0.366,528 0.88,529 0.659,530 163.607,531 -0.044,532 0.068,533 0.029,534 0.049,535 -0.035,536 0.051,537 0.071,538 -0.142,539 -0.078,540 -0.139,541 0.113,542 -0.131,543 0.042,544 -0.06,545 0.001,546 -0.073,547 0.055,548 -0.046,549 -0.09,550 0.01,551 -0.036,552 -0.024,553 -0.046,554 -0.02,555 0.043,556 0.119,557 0.101,558 0.148,559 0.158,560 0.129,561 -0.055,562 -0.095,563 -0.056,564 -0.051,565 -0.008,566 -0.057,567 -0.044,568 -0.092,569 -0.077,570 -0.085,571 -0.025,572 -0.085,573 -0.027,574 0.02,575 0.009,576 0.024,577 -0.035,578 0.021,579 1.837,580 5.34,581 0.5,582 42.378,583 0.984,584 1.136,585 3.78,586 14.291,587 0.618,588 3.497,589 3.761,590 3.912,591 3.989,592 4.078,593 3.989,594 3.97,595 3.989,596 4.078,597 3.951,598 9.857,599 0.565,600 413.67,601 3.497,602 5.004,603 5.82,604 6.663,605 7.504,606 8.359,607 9.214,608 10.079,609 10.945,610 11.819,611 4.3,612 1,617 1,619 1,623 4,628 2,630 6,631 1,638 69,639 8,640 1,641 32,642 71,643 25,644 6,645 2,646 4,647 1,648 3,649 3,655 7,656 2,657 13,659 8,660 17,661 2,662 2,663 1,664 1,667 2,670 39,671 5,672 4,673 5,677 3,679 1,681 1,682 2,690 1,693 2,704 1,709 1,710 3,715 30,716 1,718 15,719 1,720 1,721 1,723 1,731 2.9,734 1,735 1,737 15.417,738 11.583,739 6.819,740 4.785,741 1.191,742 1.171,743 0.933,744 9.05,745 8.155,746 3.638,747 4.034,748 4.373,749 4.681,750 5.053,751 5.096,752 5.23,753 5.23,754 5.466,755 5.372,756 0.909,757 39,758 11.223,759 4.704,760 7.558,761 22.427,762 18.986,763 2.058,764 61.75,768 411.989,769 93.442,770 82.58,772 36.145,774 93.442,775 448.133,776 82.58,778 93.042,779 37.905,780 43.177,781 38.043,783 411.989,785 411.989,786 176.022,787 36.145,790 329.591,791 107.543,792 11,793 124.714,794 51.309,797 411.989,798 118.725,799 93.442,801 411.989,802 55.537,803 37.905,804 18.011,805 100.714,806 411.989,807 118.725,808 93.442,810 0.566,811 0.311,812 0.148,813 0.073,814 17,815 7,816 0.183,817 13,819 1,820 4.545,821 227.907,823 15,824 137.207,826 23.125,827 11.74,828 7.911,830 118.725,831 7.845,836 1.912,838 82.58,839 624.156,840 37,841 7.605,842 12.34,845 -0.08,846 67.865,847 78.387,848 0.219,849 0.48,850 0.636,851 0.794,852 0.853,853 0.862,854 4.871,855 1.447,856 5.79,857 3.556,858 4.443,859 4.718,860 2.048,861 6.583,862 4.408,863 6.014,864 1.319,865 7.349,866 3.285,867 4.111,868 4.477,869 0.904,870 7.945,871 4.07,872 7.303,873 1.012,874 9.045,875 2.926,876 6.089,877 6.669,878 2.195,879 10.95,880 6.022,881 8.634,882 1,883 10.837,884 2.275,885 6.673,886 7.272,887 1.55,888 13.244,889 6.585,890 10.012,891 1,892 12.698,893 2.14,894 8.15,895 8.984,896 2.486,897 15.938,898 8.037,899 11.42,900 0.529,901 14.607,902 2.136,903 9.137,904 9.944,905 2.162,906 18.487,907 8.993,908 12.853,909 0.23,910 16.552,911 1.142,912 10.451,913 11.469,914 2.886,915 21.131,916 10.279,917 3.575,918 0.015,919 18.521,920 0.566,921 11.607,922 12.591,923 2.78,924 23.745,925 11.399,926 2.786,927 13.971,928 20.508,929 0.033,930 12.876,931 14.031,932 3.367,933 26.381,934 12.638,935 2.522,936 8.548,937 22.508,938 3.82,939 14.099,940 15.236,941 3.406,942 29.011,943 13.826,944 2.382,945 6.965,946 24.518,947 3.659,948 15.361,949 16.63,950 3.901,951 31.648,952 15.057,953 1.881,954 6.853,955 26.534,956 3.04,957 16.611,958 17.882,959 4.035,960 34.283,961 16.275,962 1.631,963 3.935,964 28.555,965 2.522,966 17.876,967 19.25,968 4.47,969 36.919,970 17.508,971 1.573,972 3.779,973 30.581,974 2.021,975 19.138,976 20.529,977 4.666,978 39.556,979 18.738,980 15252,981 21054,982 21.435,983 42.631,984 46.151,985 47.176,986 47.888,987 45.784,988 45.802,989 52.274,990 6.786,991 124.221,992 44.932,993 5.634,994 5.933,995 7.573,996 5.586,997 5.575,998 6.82,999 2.483,1000 21.007,1001 5.477,1002 13.144,1003 1.442,1004 1.474,1005 1.496,1006 1.431,1007 1.431,1008 1.634,1009 0.212,1010 3.882,1011 1.404,1012 4.013,1013 4.054,1014 3.944,1015 3.921,1016 7.429,1017 3.92,1018 3.897,1019 3.948,1020 3.809,1021 3.799,1022 5.875,1023 3.796,1024 3.884,1025 3.929,1026 3.747,1027 3.774,1028 4.795,1029 3.759,1030 3.735,1031 3.794,1032 3.577,1033 3.614,1034 4.704,1035 3.596,1036 3.521,1037 3.578,1038 3.372,1039 3.36,1040 4.587,1041 3.351,1042 3.336,1043 3.393,1044 3.21,1045 3.152,1046 4.27,1047 3.15,1048 3.228,1049 3.336,1050 3.079,1051 3.039,1052 4.205,1053 3.037,1054 3.207,1055 3.271,1056 3.049,1057 2.941,1058 4.104,1059 2.932,1060 0.145,1061 0.123,1062 0.239,1063 0.142,1064 0.112,1065 4.634,1066 0.119,1067 3.933,1068 0.043,1069 7.662,1070 0.437,1071 4.548,1072 0.109,1073 3.575,1074 3.82,1075 1.367,1076 13.971,1077 3.477,1078 1.945,1079 1.919,1080 2.111,1081 2.039,1082 1.507,1083 2.064,1084 1.888,1085 1.835,1086 2.082,1087 2.03,1088 1.401,1089 2.049,1090 1.753,1091 1.696,1092 1.981,1093 1.913,1094 1.22,1095 1.939,1096 1.541,1097 1.485,1098 1.784,1099 1.77,1100 1.033,1101 1.762,1102 1.471,1103 1.408,1104 1.634,1105 1.699,1106 0.939,1107 1.702,1108 1.316,1109 1.251,1110 1.605,1111 1.539,1112 0.825,1113 1.563,1114 1.182,1115 1.121,1116 1.513,1117 1.433,1118 0.825,1119 1.433,1120 1.153,1121 1.064,1122 1.513,1123 1.376,1124 0.81,1125 1.429,1126 4.174,1127 1.946,1128 5.451,1129 3.932,1130 6.927,1131 5.9,1132 8.496,1133 7.835,1134 10.12,1138 5.589,1140 17.528,1141 2.903,1142 5.875,1143 0.82,1145 -0.587,1148 38.976,1149 92.506,1150 202.134,1151 267.939,1152 334.469,1153 359.488,1154 363.488,1155 72.863,1156 6.964,1157 88.2,1158 88.2,1159 15,1160 12.362,1161 3.17,1162 2.585,1163 56.199,1164 180,1165 162,1166 0.145,1167 242.137,1168 430.46,1169 582.575,1170 11601,1172 21.236,1173 0.708,1174 0.613,1175 21.236,1176 18.387,1177 14.589,1178 0.456,1179 0.373,1180 11.839,1181 14.249,1182 11.604,1183 9.643,1184 14.589,1185 11.927,1186 12.536,1187 0.298,1188 0.22,1189 12.536,1190 9.244,1191 9.741,1192 0.199,1193 0.131,1194 9.741,1195 6.417,1196 7.097,1197 0.134,1198 0.08,1199 7.097,1200 4.241,1201 5.119,1202 0.088,1203 0.049,1204 5.119,1205 2.829,1206 0.247,1207 90.069,1208 0.216,1209 30.133,1210 0.351,1211 148,1212 327.449,1213 157.589,1214 319.307,1215 428.96,1216 298,1217 168,1218 303.498,1219 177.535,1220 310.185,1221 449.36,1222 292,1223 6.886} {0 CHEMBL1774566,1 1.354,2 15.897,3 4.613,4 21.283,5 117.342,6 6.055,7 0.194,8 4.235,9 4.38,10 3.606,11 3.747,12 5.155,13 3.681,14 4.822,15 5.027,16 3.875,17 4.136,18 5.676,19 4.017,20 5.137,21 5.409,22 3.888,23 4.243,24 5.954,25 4.082,26 5.16,27 5.453,28 3.771,29 4.155,30 6.005,31 3.989,32 5.023,33 5.31,34 3.683,35 4.073,36 5.922,37 3.904,38 4.895,39 5.159,40 3.614,41 4.067,42 5.666,43 3.888,44 4.949,45 5.241,46 3.509,47 4.024,48 5.703,49 3.823,50 4.867,51 5.174,52 3.371,53 3.906,54 5.553,55 3.698,56 0.084,57 0.923,58 16.432,59 6.679,60 9.813,61 9.584,62 0.26,63 1.451,64 29.028,65 11.304,66 29.639,67 16.311,68 0.366,69 1.755,70 38.983,71 13.652,72 43.009,73 20.477,74 0.439,75 1.645,76 39.935,77 12.736,78 56.033,79 19.454,80 0.475,81 1.435,82 34.594,83 12.091,84 75.932,85 17.758,86 0.214,87 1.397,88 30.089,89 11.693,90 30.719,91 17.095,92 0.26,93 1.406,94 31.567,95 11.379,96 37.679,97 17.179,98 0.253,99 1.249,100 28.871,101 10.367,102 31.962,103 15.619,104 11,105 41,106 0.219,107 0.483,108 0.639,109 0.792,110 0.839,111 0.839,112 3.406,113 1.106,114 -4.8,115 -4.71,116 -4.43,117 36.4,119 12,120 1,123 2,125 1,130 4,131 2,142 2,146 1,147 1,148 1,151 18,153 3,154 1,155 1,156 3,157 1,158 18,161 5,164 2,165 6,166 1,167 11,168 2,170 7,174 2,176 11,179 2,180 1,181 2,183 3,185 14,186 1,188 2,191 5,193 15,194 2,196 2,199 5,200 12,201 2,203 2,205 3,206 10,207 1,209 3,213 3,214 8,215 1,216 1617,217 19.664,218 19.664,219 19.664,220 19.664,221 19.664,222 18.68,223 16.139,224 12.015,225 19.872,226 15.276,227 15.276,228 15.276,229 15.276,230 15.276,231 13.74,232 14.886,233 5.71,234 15.588,235 4.69,236 3.056,237 2.087,238 1.14,239 0.848,240 0.848,241 4.08,244 1,245 1,246 981,247 4.528,248 69.144,250 109.714,251 118.801,256 2.735,257 24.616,259 1,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.86,267 61.5,268 461,269 4.634,270 3.933,271 7.662,272 4.548,273 3.575,274 3.82,275 1.367,276 13.971,277 3.477,278 4.158,279 3.47,280 6.022,281 3.794,282 2.786,283 3.659,284 1.041,285 8.548,286 2.803,287 3.705,288 2.723,289 5.352,290 3.53,291 2.542,292 3.04,293 0.86,294 6.997,295 2.513,296 3.542,297 2.67,298 5.314,299 3.387,300 2.382,301 2.542,302 0.125,303 6.853,304 2.391,305 2.995,306 2.161,307 4.688,308 2.86,309 1.88,310 2.021,312 3.935,313 1.845,314 2.895,315 2.073,316 4.249,317 2.56,318 1.61,319 1.894,321 3.778,322 1.525,323 2.798,324 1.967,325 3.899,326 2.5,327 1.565,328 1.795,330 3.554,331 1.46,332 2.581,333 1.733,334 3.663,335 2.366,336 1.373,337 1.578,339 3.202,340 1.35,341 2.5,342 1.333,343 3.438,344 2.237,345 1.242,346 1.5,347 2.667,348 1.233,349 2.286,350 1.079,351 3.414,352 2,353 1,354 1.282,355 2.275,356 1,357 1.982,358 1,359 3.321,360 1.905,361 0.946,362 0.97,363 2.007,364 0.899,365 1.618,366 0.78,367 3.085,368 1.618,369 0.618,370 0.618,371 1.372,372 0.618,373 1.534,374 0.654,375 3,376 1.446,377 0.487,378 0.501,379 1.052,380 0.464,381 1.386,382 0.618,383 3,384 1.207,385 0.226,386 0.245,387 0.555,388 0.22,389 1.106,390 0.269,391 2.711,392 0.948,393 -0.03,394 -0.032,395 -0.066,396 -0.029,397 13.867,398 0.478,399 0.583,400 0.02,401 26.25,402 0.905,403 9,404 0.31,405 17.25,406 0.595,407 31.431,408 1.084,409 34.133,410 0.517,411 16.978,412 0.585,413 4.139,414 0.143,415 9.95,416 0.343,417 0.082,418 0.036,419 0.18,420 0.866,421 1.281,422 1.037,423 1.216,424 0.771,425 1.148,426 0.862,427 1.298,428 1.097,429 1.285,430 0.527,431 1.235,432 0.929,433 1.101,434 1.007,435 1.105,436 0.8,437 1.071,438 1.41,439 0.899,440 1.019,441 0.913,442 1.269,443 0.919,444 1.26,445 0.789,446 0.925,447 0.817,448 1.133,449 0.847,450 0.775,451 1.146,452 1.029,453 1.161,454 0.79,455 1.137,456 0.803,457 1.056,458 1.016,459 1.065,460 0.818,461 1.064,462 0.814,463 0.911,464 0.937,465 0.944,466 0.813,467 0.953,468 5.5,469 0.077,470 2.778,471 1.319,472 0.947,473 0.65,474 0.289,475 0.252,476 0.185,477 0.115,478 14425,479 27290,480 2.045,481 56.1,482 18,483 8,486 4,488 7,490 1.707,491 1.944,492 3.907,493 1.561,497 89.386,498 1.354,499 2.988,500 3.958,501 4.905,502 5.196,503 5.196,504 3.345,505 4.375,506 4.827,507 4.167,508 1691.88,509 8.339,510 26934.2,513 398.93,514 1.313,515 4.797,516 0.177,517 0.004,518 0.073,519 0.037,520 0.031,521 0.022,522 0.01,523 0.01,524 0.009,525 0.006,526 0.379,528 0.88,529 0.674,530 156.164,531 -0.047,532 0.071,533 0.029,534 0.051,535 -0.039,536 0.053,537 0.07,538 -0.137,539 -0.073,540 -0.134,541 0.113,542 -0.127,543 0.037,544 -0.083,545 -0.015,546 -0.099,547 0.051,548 -0.069,549 -0.097,550 0.047,551 -0.005,552 0.016,553 -0.054,554 0.02,555 0.024,556 0.129,557 0.074,558 0.153,559 0.152,560 0.119,561 -0.028,562 -0.132,563 -0.067,564 -0.093,566 -0.089,567 -0.039,568 -0.082,569 -0.061,570 -0.07,571 -0.024,572 -0.069,573 -0.031,574 0.021,575 0.008,576 0.025,577 -0.04,578 0.022,579 1.836,580 5.324,581 0.483,582 40.492,583 0.985,584 1.136,585 3.573,586 12.765,587 0.619,588 3.466,589 3.738,590 3.892,591 3.97,592 3.97,593 3.951,594 3.932,595 3.951,596 4.043,597 3.912,598 9.54,599 0.567,600 399.64,601 3.466,602 4.977,603 5.796,604 6.642,605 7.486,606 8.344,607 9.201,608 10.068,609 10.936,610 11.812,611 4.5,612 1,617 1,619 1,623 4,628 2,630 6,631 1,638 66,639 8,640 1,641 31,642 68,643 24,644 6,645 2,646 4,647 1,648 3,649 3,655 6,656 2,657 12,659 8,660 16,661 2,662 2,663 1,664 1,667 2,670 37,671 5,672 4,673 5,677 3,679 1,681 1,682 2,690 1,692 1,693 1,704 1,709 1,710 3,715 29,716 1,718 14,719 1,720 1,721 1,723 1,731 3,734 1,735 1,737 14.917,738 11.083,739 6.569,740 4.535,741 1.199,742 1.175,743 0.935,744 8.409,745 8.069,746 3.611,747 4.016,748 4.36,749 4.672,750 5.014,751 5.084,752 5.219,753 5.22,754 5.457,755 5.362,756 1,757 36,758 10.844,759 4.56,760 7.578,761 21.61,762 18.32,763 2.078,764 60.25,768 388.446,769 90.908,770 82.58,772 36.145,774 90.908,775 424.591,776 82.58,778 90.507,779 37.905,780 43.177,781 38.043,783 388.446,785 388.446,786 173.488,787 36.145,790 306.049,791 107.543,792 11,793 122.179,794 51.309,797 388.446,798 118.725,799 90.908,801 388.446,802 53.003,803 37.905,804 18.011,805 100.714,806 388.446,807 118.725,808 90.908,810 0.568,811 0.313,812 0.149,813 0.066,814 17,815 7,816 0.191,817 13,819 1,820 4.457,821 218.333,823 14,824 130.881,826 22.147,827 11.011,828 7.331,830 118.725,831 7.837,836 1.91,838 82.58,839 598.079,840 36,841 7.598,842 12.324,845 -0.081,846 64.981,847 74.972,848 0.224,849 0.494,850 0.655,851 0.811,852 0.86,853 0.86,854 4.848,855 1.373,856 5.771,857 3.554,858 4.419,859 4.7,860 2.048,861 6.572,862 4.383,863 5.997,864 1.242,865 7.336,866 3.202,867 4.111,868 4.477,869 0.904,870 7.945,871 4.07,872 7.291,873 1,874 9.037,875 2.667,876 6.075,877 6.661,878 2.195,879 10.948,880 6.007,881 8.627,882 0.946,883 10.833,884 2.275,885 6.686,886 7.279,887 1.55,888 13.245,889 6.599,890 10.008,891 0.618,892 12.695,893 2.007,894 8.144,895 8.982,896 2.486,897 15.938,898 8.03,899 11.419,900 0.487,901 14.606,902 1.372,903 9.146,904 9.948,905 2.162,906 18.488,907 9.003,908 12.853,909 0.226,910 16.552,911 1.052,912 10.45,913 11.469,914 2.886,915 21.131,916 10.277,917 3.575,918 -0.03,919 18.521,920 0.555,921 11.612,922 12.593,923 2.78,924 23.745,925 11.405,926 2.786,927 13.971,928 20.509,929 -0.066,930 12.877,931 14.031,932 3.367,933 26.381,934 12.639,935 2.542,936 8.548,937 22.509,938 3.82,939 14.102,940 15.237,941 3.406,942 29.012,943 13.83,944 2.382,945 6.997,946 24.518,947 3.659,948 15.362,949 16.63,950 3.901,951 31.648,952 15.058,953 1.88,954 6.853,955 26.534,956 3.04,957 16.613,958 17.882,959 4.035,960 34.283,961 16.276,962 1.61,963 3.935,964 28.556,965 2.542,966 17.876,967 19.25,968 4.47,969 36.919,970 17.509,971 1.565,972 3.778,973 30.581,974 2.021,975 19.139,976 20.53,977 4.666,978 39.556,979 18.74,980 13821,981 19248,982 20.742,983 40.87,984 44.713,985 45.59,986 46.285,987 44.458,988 44.459,989 50.932,990 6.786,991 121.534,992 43.591,993 5.621,994 5.933,995 7.574,996 5.601,997 5.575,998 6.82,999 2.483,1000 21.007,1001 5.477,1002 12.798,1003 1.442,1004 1.471,1005 1.493,1006 1.434,1007 1.434,1008 1.643,1009 0.219,1010 3.92,1011 1.406,1012 4.013,1013 4.053,1014 3.944,1015 3.921,1016 7.429,1017 3.92,1018 3.898,1019 3.949,1020 3.809,1021 3.799,1022 5.875,1023 3.796,1024 3.886,1025 3.93,1026 3.753,1027 3.778,1028 4.795,1029 3.764,1030 3.734,1031 3.793,1032 3.576,1033 3.614,1034 4.704,1035 3.596,1036 3.514,1037 3.572,1038 3.366,1039 3.357,1040 4.59,1041 3.347,1042 3.305,1043 3.356,1044 3.193,1045 3.102,1046 4.27,1047 3.111,1048 3.219,1049 3.33,1050 3.071,1051 2.961,1052 4.196,1053 2.958,1054 3.165,1055 3.225,1056 2.994,1057 2.899,1058 4.1,1059 2.932,1060 0.149,1061 0.127,1062 0.247,1063 0.147,1064 0.115,1065 4.634,1066 0.123,1067 3.933,1068 0.044,1069 7.662,1070 0.451,1071 4.548,1072 0.112,1073 3.575,1074 3.82,1075 1.367,1076 13.971,1077 3.477,1078 1.945,1079 1.919,1080 2.083,1081 2.035,1082 1.402,1083 2.05,1084 1.762,1085 1.707,1086 1.986,1087 1.93,1088 1.301,1089 1.951,1090 1.667,1091 1.614,1092 1.9,1093 1.837,1094 1.216,1095 1.859,1096 1.577,1097 1.507,1098 1.86,1099 1.759,1100 1.211,1101 1.793,1102 1.53,1103 1.473,1104 1.769,1105 1.751,1106 1.027,1107 1.746,1108 1.46,1109 1.394,1110 1.627,1111 1.666,1112 0.825,1113 1.686,1114 1.21,1115 1.153,1116 1.513,1117 1.466,1118 0.812,1119 1.465,1120 1.153,1121 1.064,1122 1.495,1123 1.376,1124 0.739,1125 1.429,1126 4.143,1127 1.946,1128 5.425,1129 4.111,1130 6.895,1131 6.107,1132 8.459,1133 8.023,1134 10.08,1138 5.584,1140 16.114,1141 2.9,1142 5.82,1143 0.83,1145 -0.586,1148 37.449,1149 89.386,1150 197.24,1151 261.213,1152 323.711,1153 342.93,1154 342.93,1155 68.752,1156 6.87,1157 88.2,1158 88.2,1159 14,1160 12.354,1161 3.17,1162 2.585,1163 53.307,1164 167,1165 148,1166 0.148,1167 232.545,1168 413.16,1169 559.169,1170 10039,1172 20.529,1173 0.708,1174 0.61,1175 20.529,1176 17.68,1177 14.089,1178 0.454,1179 0.369,1180 11.339,1181 13.749,1182 11.114,1183 9.227,1184 14.089,1185 11.427,1186 12.182,1187 0.297,1188 0.217,1189 12.182,1190 8.89,1191 9.491,1192 0.198,1193 0.128,1194 9.491,1195 6.167,1196 6.92,1197 0.133,1198 0.078,1199 6.92,1200 4.065,1201 4.506,1202 0.087,1203 0.043,1204 4.506,1205 2.217,1206 0.251,1207 87.069,1208 0.22,1209 29.276,1210 0.359,1211 144,1212 323.449,1213 153.589,1214 315.146,1215 423.2,1216 294,1217 164,1218 299.498,1219 173.535,1220 306.024,1221 443.6,1222 288,1223 6.77} {0 CHEMBL1774567,1 1.367,2 15.63,3 4.209,4 17.719,5 110.071,6 6.026,7 0.214,8 4.162,9 4.31,10 3.516,11 3.654,12 5.116,13 3.587,14 4.723,15 4.936,16 3.75,17 4.001,18 5.611,19 3.881,20 5.008,21 5.28,22 3.81,23 4.116,24 5.871,25 3.97,26 5.044,27 5.326,28 3.704,29 4.081,30 5.933,31 3.92,32 4.982,33 5.275,34 3.621,35 4.015,36 5.891,37 3.843,38 4.822,39 5.087,40 3.544,41 3.985,42 5.619,43 3.809,44 4.866,45 5.158,46 3.43,47 3.933,48 5.652,49 3.735,50 4.777,51 5.085,52 3.28,53 3.803,54 5.493,55 3.597,56 0.08,57 0.854,58 15.341,59 6.124,60 9.773,61 8.838,62 0.253,63 1.283,64 26.348,65 9.912,66 29.036,67 14.451,68 0.357,69 1.53,70 34.408,71 11.653,72 43.175,73 17.635,74 0.379,75 1.494,76 35.653,77 11.399,78 52.859,79 17.51,80 0.462,81 1.346,82 33.064,83 11.392,84 75.862,85 16.873,86 0.206,87 1.281,88 27.975,89 10.693,90 30.702,91 15.717,92 0.249,93 1.274,94 29.072,95 10.243,96 37.664,97 15.585,98 0.244,99 1.117,100 26.362,101 9.224,102 32.364,103 14.012,104 31,105 36,106 0.225,107 0.502,108 0.675,109 0.808,110 0.849,111 0.86,112 3.338,113 1.115,114 -4.38,115 -4.31,116 -4.06,117 35.5,118 1,119 10,123 2,125 1,130 4,131 2,142 2,146 1,147 1,148 1,151 15,153 3,154 1,155 1,156 3,157 1,158 14,161 4,164 2,165 6,166 1,167 11,168 2,170 6,174 2,176 11,179 2,180 1,181 2,183 3,185 13,186 1,188 2,191 5,193 13,194 2,196 2,199 5,200 10,201 2,203 2,205 3,206 8,207 1,209 3,213 3,214 6,215 1,216 1362,217 18.225,218 18.225,219 18.225,220 18.225,221 18.225,222 17.241,223 16.139,224 11.397,225 18.451,226 13.759,227 13.759,228 13.759,229 13.759,230 13.759,231 12.222,232 14.886,233 5.386,234 14.093,235 4.587,236 2.898,237 1.848,238 1.037,239 0.786,240 0.722,241 3.996,244 1,245 1,246 865,247 4.69,248 64.452,251 110.776,256 2.68,257 24.303,259 1,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.86,267 57.5,268 422,269 4.634,270 3.933,271 7.662,272 4.548,273 3.575,274 3.82,275 1.367,276 13.971,277 3.477,278 4.158,279 3.47,280 6.022,281 3.794,282 2.786,283 3.659,284 1.041,285 8.548,286 2.803,287 3.705,288 2.723,289 5.314,290 3.387,291 2.382,292 3.04,293 0.86,294 6.853,295 2.391,296 2.996,297 2.394,298 4.688,299 2.886,300 1.93,301 2.022,302 0.125,303 3.939,304 1.856,305 2.934,306 2.074,307 4.249,308 2.699,309 1.735,310 1.934,312 3.838,313 1.657,314 2.82,315 1.969,316 3.928,317 2.52,318 1.578,319 1.818,321 3.576,322 1.489,323 2.714,324 1.777,325 3.727,326 2.448,327 1.458,328 1.711,330 3.375,331 1.432,332 2.5,333 1.49,334 3.445,335 2.307,336 1.312,337 1.5,339 2.741,340 1.296,341 2.426,342 1.163,343 3.414,344 2,345 1.01,346 1.421,347 2.275,348 1,349 2.05,350 1,351 3.312,352 1.963,353 1,354 1.038,355 1.947,356 0.953,357 1.627,358 0.787,359 3.027,360 1.56,361 0.587,362 0.602,363 1.101,364 0.568,365 1.388,366 0.732,367 3,368 1.22,369 0.243,370 0.261,371 0.578,372 0.236,373 1.216,374 0.359,375 2.634,376 1.094,377 0.112,378 0.119,379 0.212,380 0.109,381 0.907,382 0.01,383 2.254,384 0.712,385 -0.272,386 -0.294,387 -0.522,388 -0.266,389 0.603,390 -0.135,391 2.162,392 0.399,393 -0.585,394 -0.639,395 -1.148,396 -0.571,397 12.867,398 0.477,399 0.515,400 0.019,401 24.75,402 0.917,403 9,404 0.333,405 15.75,406 0.583,407 28.033,408 1.038,409 32.133,410 0.518,411 16.632,412 0.616,413 4.149,414 0.154,415 8.923,416 0.33,417 0.127,418 0.039,419 0.155,420 0.878,421 1.327,422 1.056,423 1.256,424 0.799,425 1.179,426 0.885,427 1.304,428 1.08,429 1.279,430 0.548,431 1.222,432 1,433 1.034,434 0.966,435 1.018,436 0.863,437 0.993,438 1.306,439 0.981,440 1.075,441 1.001,442 1.296,443 1.004,444 1.162,445 0.786,446 0.898,447 0.814,448 1.089,449 0.839,450 0.781,451 1.149,452 1.018,453 1.16,454 0.804,455 1.132,456 0.818,457 1.068,458 1.02,459 1.074,460 0.841,461 1.071,462 0.834,463 0.909,464 0.935,465 0.938,466 0.842,467 0.947,468 5,469 0.09,470 2.556,471 1.222,472 0.902,473 0.625,474 0.274,475 0.242,476 0.179,477 0.11,478 10613,479 21468,480 1.966,481 56.5,482 15,483 8,486 4,488 8,490 1.689,491 1.851,492 3.879,493 1.624,495 1,497 84.773,498 1.367,499 3.056,500 4.106,501 4.918,502 5.168,503 5.232,504 3.384,505 4.357,506 4.717,507 4.099,508 1438.92,509 8.133,510 21348.5,511 1,513 369.16,514 1.382,515 4.682,516 0.179,517 0.005,518 0.077,519 0.036,520 0.031,521 0.022,522 0.011,523 0.011,524 0.009,525 0.006,526 0.388,528 0.88,529 2.623,530 141.612,531 -0.051,532 0.046,533 0.015,534 0.027,535 -0.059,536 0.033,537 0.08,538 -0.149,539 -0.054,540 -0.134,541 0.114,542 -0.119,543 0.023,544 -0.007,545 0.036,546 -0.014,547 0.038,548 0.007,549 -0.106,550 0.009,551 -0.062,552 -0.04,553 -0.067,554 -0.04,555 0.04,556 0.125,557 0.09,558 0.154,559 0.154,560 0.127,561 -0.028,562 -0.129,563 -0.058,564 -0.085,565 -0.007,566 -0.08,567 -0.044,568 -0.089,569 -0.065,570 -0.075,571 -0.034,572 -0.074,573 -0.035,574 0.022,575 0.01,576 0.028,577 -0.049,578 0.025,579 1.837,580 5.286,581 0.333,582 37.712,583 0.985,584 1.138,585 3.147,586 9.902,587 0.615,588 3.367,589 3.611,590 3.738,591 3.784,592 3.85,593 3.829,594 3.807,595 3.829,596 3.932,597 3.784,598 8.971,599 0.563,600 373.6,601 3.367,602 4.86,603 5.666,604 6.506,605 7.347,606 8.204,607 9.065,608 9.937,609 10.812,610 11.695,611 4.8,612 1,617 1,619 1,623 4,628 2,630 6,631 1,638 62,639 8,640 1,641 28,642 63,643 22,644 6,645 2,646 4,647 1,648 2,649 2,652 1,655 2,656 1,657 10,659 8,660 14,661 1,662 2,663 1,664 1,667 2,669 1,670 35,671 5,672 4,673 5,677 3,679 1,681 1,682 2,690 1,693 1,704 1,709 1,710 2,712 1,715 27,716 1,718 12,719 1,720 1,723 1,731 3.2,734 1,735 1,737 14.583,738 10.75,739 6.319,740 4.285,741 1.223,742 1.187,743 0.917,744 9.129,745 7.763,746 3.526,747 3.922,748 4.266,749 4.584,750 4.974,751 5.046,752 5.186,753 5.187,754 5.432,755 5.334,756 1,757 34,758 10.066,759 4.114,760 7.645,761 19.818,762 16.109,763 2.145,764 57.917,767 1,768 364.904,769 94.664,770 82.58,772 36.145,774 94.664,775 401.049,776 82.58,777 8.825,778 85.438,779 37.905,780 43.177,781 38.043,783 364.904,785 364.904,786 177.244,787 36.145,790 270.735,791 119.314,792 11,793 125.935,794 51.309,797 364.904,798 118.725,799 94.664,801 364.904,802 47.934,803 46.73,804 18.011,805 100.714,806 364.904,807 118.725,808 94.664,810 0.556,811 0.301,812 0.138,813 0.066,814 13,815 6,816 0.222,817 14,819 1,820 4.172,821 191.89,823 9,824 122.382,826 21.751,827 11.332,828 7.921,830 118.725,831 7.802,836 1.9,838 82.58,839 578.293,840 33,841 7.58,842 12.286,845 -0.088,846 61.098,847 70.557,848 0.23,849 0.513,850 0.69,851 0.826,852 0.868,853 0.879,854 4.741,855 1.312,856 5.638,857 3.375,858 4.29,859 4.605,860 2.048,861 6.444,862 4.25,863 5.895,864 1.01,865 7.209,866 2.741,867 4.007,868 4.407,869 0.904,870 7.886,871 3.962,872 7.192,873 1,874 8.923,875 2.275,876 5.953,877 6.595,878 2.195,879 10.891,880 5.878,881 8.537,882 0.587,883 10.737,884 1.947,885 6.594,886 7.23,887 1.55,888 13.222,889 6.502,890 9.927,891 0.243,892 12.619,893 1.101,894 8.055,895 8.944,896 2.486,897 15.922,898 7.935,899 11.348,900 0.112,901 14.547,902 0.578,903 9.085,904 9.921,905 2.162,906 18.481,907 8.936,908 12.792,909 -0.272,910 16.507,911 0.212,912 10.397,913 11.45,914 2.886,915 21.127,916 10.218,917 3.575,918 -0.585,919 18.488,920 -0.522,921 11.575,922 12.58,923 2.78,924 23.743,925 11.364,926 2.786,927 13.971,928 20.484,929 -1.148,930 12.847,931 14.022,932 3.367,933 26.38,934 12.605,935 2.382,936 8.548,937 22.491,938 3.82,939 14.081,940 15.23,941 3.406,942 29.011,943 13.806,944 1.93,945 6.853,946 24.506,947 3.659,948 15.346,949 16.626,950 3.901,951 31.647,952 15.04,953 1.735,954 3.939,955 26.525,956 3.04,957 16.602,958 17.879,959 4.035,960 34.283,961 16.263,962 1.578,963 3.838,964 28.549,965 2.022,966 17.868,967 19.248,968 4.47,969 36.919,970 17.499,971 1.458,972 3.576,973 30.576,974 1.934,975 19.133,976 20.528,977 4.666,978 39.556,979 18.732,980 10723,981 15472,982 18.257,983 38.108,984 39.691,985 40.704,986 41.989,987 39.41,988 39.414,989 45.89,990 6.786,991 105.909,992 38.535,993 5.592,994 5.933,995 7.646,996 5.582,997 5.575,998 6.82,999 2.483,1000 21.007,1001 5.477,1002 14.337,1003 1.418,1004 1.454,1005 1.5,1006 1.407,1007 1.408,1008 1.639,1009 0.242,1010 3.782,1011 1.376,1012 4.01,1013 4.05,1014 3.942,1015 3.919,1016 7.429,1017 3.918,1018 3.894,1019 3.937,1020 3.809,1021 3.799,1022 5.875,1023 3.796,1024 3.767,1025 3.821,1026 3.613,1027 3.63,1028 4.795,1029 3.616,1030 3.66,1031 3.727,1032 3.487,1033 3.516,1034 4.704,1035 3.498,1036 3.492,1037 3.556,1038 3.335,1039 3.345,1040 4.583,1041 3.331,1042 3.288,1043 3.347,1044 3.169,1045 3.086,1046 4.269,1047 3.095,1048 3.218,1049 3.326,1050 3.069,1051 2.924,1052 4.125,1053 2.932,1054 3.151,1055 3.221,1056 2.953,1057 2.899,1058 4.056,1059 2.918,1060 0.165,1061 0.14,1062 0.274,1063 0.162,1064 0.128,1065 4.634,1066 0.136,1067 3.933,1068 0.049,1069 7.662,1070 0.499,1071 4.548,1072 0.124,1073 3.575,1074 3.82,1075 1.367,1076 13.971,1077 3.477,1078 1.945,1079 1.919,1080 2.083,1081 2.035,1082 1.402,1083 2.05,1084 1.762,1085 1.706,1086 1.992,1087 1.934,1088 1.249,1089 1.955,1090 1.677,1091 1.612,1092 1.951,1093 1.861,1094 1.21,1095 1.894,1096 1.533,1097 1.475,1098 1.777,1099 1.763,1100 1.027,1101 1.753,1102 1.464,1103 1.398,1104 1.629,1105 1.68,1106 0.825,1107 1.694,1108 1.238,1109 1.175,1110 1.559,1111 1.497,1112 0.814,1113 1.514,1114 1.153,1115 1.064,1116 1.513,1117 1.407,1118 0.752,1119 1.429,1120 1.127,1121 1.051,1122 1.457,1123 1.376,1124 0.686,1125 1.41,1126 4.043,1127 1.946,1128 5.303,1129 3.932,1130 6.765,1131 5.9,1132 8.332,1133 7.835,1134 9.963,1135 2.184,1138 5.57,1140 12.801,1141 2.892,1142 5.576,1145 -0.587,1148 34.923,1149 84.773,1150 189.494,1151 254.592,1152 304.896,1153 320.405,1154 324.405,1155 74.563,1156 6.54,1157 88.2,1158 88.2,1159 9,1160 12.232,1161 3.17,1162 2.585,1163 59.333,1164 144,1165 168,1166 0.194,1167 220.754,1168 390.92,1169 530.399,1170 5973,1172 19.537,1173 0.724,1174 0.618,1175 19.537,1176 16.689,1177 13.071,1178 0.467,1179 0.372,1180 10.321,1181 12.725,1182 10.074,1183 8.435,1184 13.071,1185 10.409,1186 10.95,1187 0.304,1188 0.212,1189 10.95,1190 7.631,1191 8.258,1192 0.201,1193 0.121,1194 8.258,1195 4.981,1196 5.791,1197 0.135,1198 0.069,1199 5.791,1200 2.986,1201 4.015,1202 0.087,1203 0.04,1204 4.015,1205 1.847,1206 0.328,1207 80.963,1208 0.234,1209 27.483,1210 0.475,1211 128,1212 307.449,1213 137.589,1214 298.711,1215 398.14,1216 278,1217 144,1218 279.498,1219 153.203,1220 285.014,1221 411.76,1222 268,1223 5.886} {0 CHEMBL1774568,1 1.367,2 15.63,3 4.98,4 24.802,5 109.415,6 6.026,7 0.214,8 4.162,9 4.31,10 3.516,11 3.654,12 5.118,13 3.587,14 4.721,15 4.934,16 3.756,17 3.998,18 5.614,19 3.878,20 5.021,21 5.298,22 3.814,23 4.104,24 5.882,25 3.96,26 5.032,27 5.314,28 3.699,29 4.068,30 5.918,31 3.91,32 4.978,33 5.272,34 3.628,35 4.016,36 5.886,37 3.841,38 4.856,39 5.128,40 3.564,41 3.977,42 5.695,43 3.797,44 4.834,45 5.125,46 3.428,47 3.902,48 5.599,49 3.708,50 4.754,51 5.055,52 3.31,53 3.741,54 5.511,55 3.554,56 0.08,57 0.854,58 15.341,59 6.124,60 10.106,61 8.838,62 0.229,63 1.283,64 26.236,65 9.931,66 28.877,67 14.497,68 0.368,69 1.521,70 34.855,71 11.605,72 45.174,73 17.608,74 0.378,75 1.475,76 35.236,77 11.219,78 51.193,79 17.248,80 0.424,81 1.351,82 32.813,83 11.463,84 73.538,85 17.005,86 0.385,87 1.276,88 29.102,89 10.802,90 45.031,91 15.896,92 0.223,93 1.229,94 28.127,95 10.024,96 32.673,97 15.167,98 0.253,99 1.06,100 26.093,101 8.674,102 31.626,103 13.197,104 31,105 36,106 0.225,107 0.482,108 0.606,109 0.725,110 0.785,111 0.834,112 3.338,113 1.122,114 -5.56,115 -5.43,116 -5.07,117 35.5,118 1,119 11,123 1,125 1,130 4,131 1,132 1,142 2,146 1,147 1,148 1,151 14,153 4,154 1,155 1,156 3,157 1,158 12,161 5,164 2,165 6,166 1,167 9,168 2,170 6,174 2,176 10,179 1,180 1,181 2,183 2,185 13,186 1,187 1,188 1,189 1,191 4,193 13,194 2,196 1,199 4,200 8,201 2,203 4,205 1,206 7,209 2,210 1,211 2,213 1,214 6,216 1362,217 18.225,218 18.225,219 18.225,220 18.225,221 18.225,222 17.241,223 13.58,224 11.397,225 18.435,226 13.759,227 13.759,228 13.759,229 13.759,230 13.759,231 12.222,232 15.741,233 5.386,234 14.092,235 4.587,236 3.019,237 2.266,238 1.543,239 1.173,240 0.875,241 3.996,244 1,245 1,246 865,247 4.69,248 64.452,251 110.776,256 2.68,257 24.514,259 0.75,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.82,267 57.5,268 422,269 4.634,270 3.933,271 7.662,272 4.548,273 3.575,274 3.82,275 1.367,276 13.971,277 3.476,278 4.158,279 3.471,280 6.022,281 3.786,282 2.786,283 3.659,284 1.041,285 8.548,286 2.785,287 3.705,288 2.869,289 5.314,290 3.331,291 2.382,292 3.04,293 0.86,294 6.853,295 2.247,296 2.996,297 2.089,298 4.688,299 2.928,300 1.93,301 2.022,302 0.125,303 3.939,304 1.927,305 2.934,306 2.046,307 4.249,308 2.727,309 1.735,310 1.934,312 3.838,313 1.72,314 2.82,315 1.917,316 3.928,317 2.516,318 1.578,319 1.818,321 3.576,322 1.476,323 2.714,324 1.739,325 3.727,326 2.437,327 1.458,328 1.711,330 3.375,331 1.419,332 2.5,333 1.5,334 3.445,335 2.312,336 1.312,337 1.5,339 2.741,340 1.303,341 2.426,342 1.153,343 3.414,344 2,345 1.01,346 1.421,347 2.275,348 1,349 2.05,350 1,351 3.312,352 1.988,353 1,354 1.038,355 1.947,356 0.983,357 1.627,358 0.78,359 3.027,360 1.552,361 0.587,362 0.602,363 1.101,364 0.562,365 1.388,366 0.707,367 3,368 1.219,369 0.243,370 0.261,371 0.578,372 0.236,373 1.216,374 0.261,375 2.634,376 1.089,377 0.112,378 0.119,379 0.212,380 0.109,381 0.907,382 0.015,383 2.254,384 0.711,385 -0.272,386 -0.294,387 -0.522,388 -0.265,389 0.603,390 -0.146,391 2.162,392 0.394,393 -0.585,394 -0.639,395 -1.148,396 -0.566,397 12.867,398 0.477,399 0.515,400 0.019,401 25.25,402 0.935,403 9.5,404 0.352,405 15.75,406 0.583,407 27.998,408 1.037,409 32.133,410 0.518,411 16.667,412 0.617,413 4.062,414 0.15,415 9.009,416 0.334,417 0.127,418 0.039,419 0.155,420 0.878,421 1.327,422 1.056,423 1.256,424 0.794,425 1.179,426 0.761,427 1.357,428 1.055,429 1.333,430 0.496,431 1.249,432 1.037,433 1.008,434 0.932,435 0.987,436 0.841,437 0.954,438 1.319,439 0.969,440 1.066,441 0.985,442 1.306,443 0.989,444 0.992,445 0.839,446 0.869,447 0.87,448 1.046,449 0.869,450 0.692,451 1.043,452 0.959,453 1.073,454 0.711,455 1.06,456 0.761,457 1.096,458 0.975,459 1.097,460 0.627,461 1.067,462 1.066,463 0.957,464 0.943,465 0.976,466 0.918,467 0.95,468 5,469 0.09,470 2.556,471 1.222,472 0.902,473 0.625,474 0.274,475 0.242,476 0.179,477 0.11,478 10613,479 20180,480 1.966,481 56.5,482 19,483 6,486 4,488 6,490 1.689,491 1.851,492 3.879,493 1.624,497 84.773,498 1.367,499 2.935,500 3.688,501 4.411,502 4.781,503 5.079,504 3.384,505 4.357,506 4.717,507 4.099,508 1438.92,509 8.133,510 21348.5,511 1,513 369.16,514 1.382,515 4.682,516 0.179,517 0.005,518 0.077,519 0.036,520 0.031,521 0.022,522 0.011,523 0.011,524 0.009,525 0.006,526 0.388,528 0.75,529 2.623,530 141.612,531 -0.051,532 0.046,533 0.015,534 0.027,535 -0.054,536 0.033,537 0.126,538 -0.197,539 -0.037,540 -0.183,541 0.15,542 -0.141,543 0.036,544 -0.002,545 0.071,546 0.001,547 0.063,548 0.033,549 -0.106,550 0.021,551 -0.051,552 -0.027,553 -0.066,554 -0.027,555 0.09,556 0.08,557 0.107,558 0.107,559 0.173,560 0.105,561 0.188,562 -0.059,563 0.008,564 -0.029,565 0.101,566 -0.034,567 -0.003,568 -0.124,569 -0.024,570 -0.091,571 0.003,572 -0.065,573 -0.021,574 -0.037,575 0.031,576 -0.027,577 -0.057,578 0.006,579 1.859,580 5.256,581 0.333,582 37.712,583 0.985,584 1.138,585 4.327,586 18.721,587 0.615,588 3.367,589 3.611,590 3.738,591 3.784,592 3.85,593 3.829,594 3.807,595 3.829,596 3.932,597 3.784,598 8.971,599 0.563,600 373.6,601 3.367,602 4.86,603 5.666,604 6.506,605 7.347,606 8.204,607 9.065,608 9.937,609 10.812,610 11.695,611 4.8,612 1,617 1,619 1,623 4,628 2,630 6,631 1,636 1,638 62,639 8,640 1,641 28,642 63,643 22,644 6,645 2,646 4,647 1,648 2,649 2,652 1,655 2,656 1,657 11,659 8,660 14,661 1,662 2,663 1,664 1,667 2,670 35,671 5,672 4,673 5,677 3,679 1,681 1,682 2,690 1,693 1,704 1,710 2,712 1,715 27,716 1,718 12,719 1,720 1,723 1,731 3.2,734 1,736 1,737 14.583,738 10.75,739 6.319,740 4.368,741 1.223,742 1.187,743 0.917,744 9.129,745 7.763,746 3.526,747 3.922,748 4.266,749 4.584,750 4.974,751 5.046,752 5.186,753 5.187,754 5.432,755 5.334,756 1,757 34,758 10.068,759 4.122,760 7.645,761 19.818,762 16.121,763 2.145,764 57.917,767 1,768 364.904,769 94.664,770 82.58,772 36.145,774 94.664,775 401.049,776 82.58,777 8.825,778 83.38,779 37.905,780 32.177,781 51.101,783 364.904,785 364.904,786 177.244,787 36.145,790 294.278,791 106.771,793 123.877,794 53.367,797 364.904,798 118.725,799 94.664,801 364.904,802 47.934,803 46.73,804 18.011,805 100.714,806 364.904,807 118.725,808 94.664,810 0.556,811 0.301,812 0.138,813 0.066,814 13,815 6,816 0.222,817 14,819 1,820 4.172,821 191.89,823 9,824 122.382,826 21.751,827 11.332,828 7.921,830 118.725,831 7.181,836 1.358,838 82.58,839 578.293,840 33,841 7.567,842 12.256,845 -0.148,846 61.098,847 70.557,848 0.23,849 0.493,850 0.619,851 0.741,852 0.803,853 0.853,854 4.741,855 1.312,856 5.638,857 3.375,858 4.29,859 4.605,860 2.048,861 6.444,862 4.244,863 5.895,864 1.01,865 7.209,866 2.741,867 4.007,868 4.407,869 0.904,870 7.886,871 3.938,872 7.192,873 1,874 8.923,875 2.275,876 5.953,877 6.595,878 2.195,879 10.891,880 5.859,881 8.537,882 0.587,883 10.737,884 1.947,885 6.594,886 7.23,887 1.55,888 13.222,889 6.475,890 9.927,891 0.243,892 12.619,893 1.101,894 8.055,895 8.944,896 2.486,897 15.922,898 7.911,899 11.348,900 0.112,901 14.547,902 0.578,903 9.085,904 9.921,905 2.162,906 18.481,907 8.912,908 12.792,909 -0.272,910 16.507,911 0.212,912 10.397,913 11.45,914 2.886,915 21.127,916 10.197,917 3.575,918 -0.585,919 18.488,920 -0.522,921 11.575,922 12.58,923 2.78,924 23.743,925 11.345,926 2.786,927 13.971,928 20.484,929 -1.148,930 12.847,931 14.022,932 3.367,933 26.38,934 12.589,935 2.382,936 8.548,937 22.491,938 3.82,939 14.081,940 15.23,941 3.406,942 29.011,943 13.793,944 1.93,945 6.853,946 24.506,947 3.659,948 15.346,949 16.626,950 3.901,951 31.647,952 15.029,953 1.735,954 3.939,955 26.525,956 3.04,957 16.602,958 17.879,959 4.035,960 34.283,961 16.255,962 1.578,963 3.838,964 28.549,965 2.022,966 17.868,967 19.248,968 4.47,969 36.919,970 17.492,971 1.458,972 3.576,973 30.576,974 1.934,975 19.133,976 20.528,977 4.666,978 39.556,979 18.727,980 10723,981 15172,982 18.257,983 38.108,984 39.691,985 40.522,986 41.989,987 39.421,988 39.414,989 45.89,990 6.786,991 105.909,992 38.487,993 5.592,994 5.933,995 7.646,996 5.605,997 5.575,998 6.82,999 2.483,1000 21.007,1001 5.476,1002 14.337,1003 1.418,1004 1.447,1005 1.5,1006 1.408,1007 1.408,1008 1.639,1009 0.242,1010 3.782,1011 1.375,1012 4.001,1013 4.041,1014 3.936,1015 3.891,1016 7.429,1017 3.896,1018 3.876,1019 3.912,1020 3.8,1021 3.781,1022 5.875,1023 3.78,1024 3.806,1025 3.865,1026 3.642,1027 3.691,1028 4.835,1029 3.671,1030 3.666,1031 3.733,1032 3.491,1033 3.534,1034 4.793,1035 3.513,1036 3.481,1037 3.553,1038 3.309,1039 3.321,1040 4.338,1041 3.303,1042 3.289,1043 3.347,1044 3.187,1045 3.079,1046 4.262,1047 3.094,1048 3.219,1049 3.328,1050 3.069,1051 2.978,1052 4.212,1053 2.975,1054 3.176,1055 3.237,1056 2.974,1057 2.899,1058 4.059,1059 2.932,1060 0.165,1061 0.14,1062 0.274,1063 0.162,1064 0.128,1065 4.634,1066 0.136,1067 3.933,1068 0.049,1069 7.662,1070 0.499,1071 4.548,1072 0.124,1073 3.575,1074 3.82,1075 1.367,1076 13.971,1077 3.476,1078 1.9,1079 1.881,1080 2.07,1081 2.011,1082 1.429,1083 2.02,1084 1.817,1085 1.757,1086 2.002,1087 1.967,1088 1.297,1089 1.992,1090 1.693,1091 1.628,1092 1.957,1093 1.864,1094 1.108,1095 1.9,1096 1.51,1097 1.448,1098 1.802,1099 1.754,1100 1.066,1101 1.745,1102 1.483,1103 1.414,1104 1.629,1105 1.692,1106 0.855,1107 1.712,1108 1.257,1109 1.182,1110 1.596,1111 1.501,1112 0.825,1113 1.531,1114 1.153,1115 1.064,1116 1.513,1117 1.415,1118 0.795,1119 1.429,1120 1.111,1121 1.063,1122 1.379,1123 1.376,1124 0.607,1125 1.388,1126 4.043,1127 1.946,1128 5.303,1129 3.932,1130 6.765,1131 5.9,1132 8.332,1133 7.835,1134 9.963,1135 2.25,1138 5.557,1140 13.878,1141 2.861,1142 5.766,1145 -0.609,1148 34.923,1149 84.773,1150 181.97,1151 228.646,1152 273.493,1153 296.431,1154 314.896,1155 74.979,1156 6.54,1157 88.2,1158 88.2,1159 9,1160 12.232,1161 3.17,1162 2.585,1163 59.333,1164 144,1165 168,1166 0.194,1167 220.754,1168 390.92,1169 530.399,1170 5973,1172 19.537,1173 0.724,1174 0.618,1175 19.537,1176 16.689,1177 13.071,1178 0.467,1179 0.374,1180 10.389,1181 12.736,1182 10.151,1183 8.528,1184 13.071,1185 10.471,1186 10.95,1187 0.304,1188 0.213,1189 10.95,1190 7.651,1191 8.258,1192 0.201,1193 0.122,1194 8.258,1195 5.002,1196 5.791,1197 0.135,1198 0.071,1199 5.791,1200 3.056,1201 4.015,1202 0.087,1203 0.04,1204 4.015,1205 1.843,1206 0.328,1207 80.872,1208 0.234,1209 27.483,1210 0.475,1211 128,1212 307.449,1213 138.253,1214 298.989,1215 401.66,1216 278,1217 144,1218 289.316,1219 153.867,1220 292.726,1221 423.52,1222 276,1223 5.398} {0 CHEMBL1774569,1 1.315,2 16,3 4.498,4 20.235,5 110.558,6 5.583,8 4.246,9 4.403,10 3.531,11 3.711,12 5.088,13 3.63,14 4.862,15 5.087,16 3.759,17 4.097,18 5.63,19 3.949,20 5.203,21 5.499,22 3.781,23 4.226,24 5.922,25 4.035,26 5.22,27 5.532,28 3.651,29 4.154,30 5.946,31 3.95,32 5.096,33 5.405,34 3.549,35 4.036,36 5.905,37 3.829,38 4.973,39 5.274,40 3.41,41 3.98,42 5.653,43 3.767,44 4.96,45 5.277,46 3.358,47 3.961,48 5.564,49 3.732,50 4.926,51 5.246,52 3.311,53 3.912,54 5.532,55 3.681,56 0.095,57 0.925,58 17.515,59 6.912,60 9.469,61 10.09,62 0.28,63 1.411,64 30.321,65 11.277,66 27.991,67 16.695,68 0.421,69 1.671,70 40.096,71 13.38,72 40.2,73 20.574,74 0.441,75 1.555,76 40.106,77 12.66,78 45.11,79 19.734,80 0.491,81 1.347,82 35.249,83 11.646,84 70.431,85 17.654,86 0.321,87 1.275,88 31.181,89 10.745,90 33.7,91 16.318,92 0.262,93 1.258,94 30.113,95 10.704,96 26.103,97 16.309,98 0.259,99 1.2,100 29.012,101 10.193,102 25.948,103 15.588,104 11,105 35,106 0.214,107 0.373,108 0.531,109 0.701,110 0.796,111 0.846,112 3.337,113 1.217,114 -4.38,115 -4.31,116 -4.07,117 32.4,119 16,120 1,123 2,125 1,142 2,146 1,147 1,148 1,151 15,153 3,154 1,155 1,156 3,157 1,158 13,161 4,164 2,165 5,166 1,167 9,168 2,170 6,174 1,176 8,179 3,180 1,181 2,183 3,185 9,186 1,188 2,191 3,193 10,194 1,196 2,199 3,200 10,201 1,203 2,205 3,206 9,207 1,209 2,213 3,214 8,215 1,216 1335,217 18.269,218 18.269,219 18.269,220 18.269,221 18.269,222 17.946,223 13.033,224 11.595,225 18.473,226 13.832,227 13.832,228 13.832,229 13.832,230 13.832,231 13.288,232 13.246,233 5.564,234 14.141,235 4.772,236 3.796,237 2.82,238 1.775,239 1.194,240 0.882,241 3.998,244 1,245 1,246 895,247 4.743,248 66.863,251 119.997,256 2.667,257 23.429,259 1,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.86,267 57.5,268 432,269 4.626,270 3.938,271 7.661,272 4.544,273 3.571,274 3.725,275 1.91,276 13.963,277 3.473,278 3.584,279 3.48,280 5.34,281 3.509,282 2.522,283 2.749,284 1.35,285 6.965,286 2.491,287 3.522,288 2.658,289 5.069,290 3.298,291 2.278,292 2.522,293 0.86,294 5.997,295 2.311,296 2.959,297 2.155,298 4.633,299 2.917,300 1.926,301 1.948,302 0.236,303 3.871,304 1.91,305 2.928,306 2.069,307 3.941,308 2.705,309 1.738,310 1.925,312 3.744,313 1.679,314 2.749,315 1.893,316 3.795,317 2.524,318 1.564,319 1.747,321 3.515,322 1.508,323 2.547,324 1.646,325 3.659,326 2.49,327 1.53,328 1.545,330 3.169,331 1.453,332 2.362,333 1.449,334 3.543,335 2.324,336 1.345,337 1.356,339 2.778,340 1.31,341 2.034,342 1.227,343 3.343,344 2,345 1.014,346 1.023,347 2.136,348 1,349 2,350 1,351 3.247,352 1.97,353 1,354 1,355 2.105,356 0.959,357 1.637,358 0.89,359 3.039,360 1.587,361 0.624,362 0.627,363 1.336,364 0.597,365 1.39,366 0.744,367 3,368 1.267,369 0.301,370 0.308,371 0.716,372 0.289,373 1.205,374 0.471,375 2.697,376 1.102,377 0.112,378 0.118,379 0.24,380 0.11,381 0.804,382 0.12,383 2.357,384 0.728,385 -0.254,386 -0.26,387 -0.539,388 -0.247,389 0.597,390 -0.135,391 2.162,392 0.388,393 -0.598,394 -0.602,395 -1.269,396 -0.586,397 12.867,398 0.477,399 0.463,400 0.017,401 18.75,402 0.694,403 3,404 0.111,405 15.75,406 0.583,407 33.592,408 1.244,409 33.933,410 0.499,411 9.511,412 0.352,413 2.266,414 0.084,415 10.857,416 0.402,417 0.088,418 0.039,419 0.117,420 0.882,421 1.461,422 1.153,423 1.394,424 0.771,425 1.308,426 0.851,427 1.442,428 1.184,429 1.43,430 0.52,431 1.364,432 0.991,433 1.059,434 1.022,435 1.07,436 0.911,437 1.053,438 1.284,439 0.923,440 1.028,441 0.953,442 1.143,443 0.959,444 1.244,445 0.872,446 0.952,447 0.899,448 1.081,449 0.909,450 1.172,451 0.974,452 1.071,453 1.008,454 1.162,455 1.033,456 0.761,457 0.974,458 0.956,459 1.007,460 0.736,461 1.004,462 0.78,463 0.95,464 0.938,465 0.978,466 0.758,467 0.976,468 4.5,469 0.074,470 1.889,471 1.16,472 0.721,473 0.281,474 0.198,475 0.147,476 0.113,477 0.09,478 12053,479 21221,480 1.987,481 60.3,482 24,483 4,486 4,487 2,488 7,490 1.686,491 1.895,492 3.925,493 1.624,497 89.425,498 1.315,499 2.292,500 3.268,501 4.313,502 4.893,503 5.205,504 3.352,505 4.088,506 4.731,507 4.175,508 1465.59,509 8.129,510 23093.7,513 413.947,514 1.201,515 4.695,516 0.161,517 0.004,518 0.059,519 0.037,520 0.028,521 0.012,522 0.009,523 0.007,524 0.006,525 0.005,526 0.329,528 0.88,529 0.704,530 143.975,531 -0.039,532 0.032,533 0.019,534 0.02,535 -0.028,536 0.029,537 0.075,538 -0.216,539 -0.112,540 -0.21,541 0.107,542 -0.191,543 0.011,544 -0.041,545 -0.021,546 -0.065,547 -0.001,548 -0.05,549 -0.082,550 0.018,551 -0.031,552 -0.018,553 -0.055,554 -0.015,555 0.043,556 0.028,557 0.037,558 0.051,559 0.163,560 0.04,561 -0.113,562 -0.003,563 -0.085,564 -0.01,565 -0.092,566 -0.042,567 -0.026,568 -0.015,569 -0.018,570 -0.014,571 -0.023,572 -0.015,573 -0.023,574 -0.005,575 -0.002,576 0.001,577 -0.023,578 0.002,579 1.739,580 4.889,581 0.333,582 34.016,583 0.982,584 1.144,585 3.152,586 9.934,587 0.594,588 3.367,589 3.584,590 3.664,591 3.689,592 3.638,593 3.367,594 3.332,595 3.296,596 3.258,597 3.219,598 9.686,599 0.537,600 379.66,601 3.367,602 4.844,603 5.631,604 6.454,605 7.27,606 8.109,607 8.946,608 9.799,609 10.651,610 11.516,611 4.4,612 1,617 1,619 1,638 68,639 2,641 28,642 69,643 22,648 2,649 2,655 7,656 2,657 16,659 2,660 20,661 2,662 2,663 1,664 1,667 2,670 41,671 5,672 4,673 5,677 3,679 1,681 1,682 2,690 1,693 1,700 1,704 1,709 1,710 2,715 27,716 1,718 18,719 1,720 1,721 1,723 1,731 2.9,734 1,735 1,737 14.25,738 11.25,739 6.292,740 4.917,741 0.113,742 1.018,743 0.903,744 10.548,745 6.441,746 3.434,747 3.689,748 3.784,749 3.85,750 3.829,751 3.434,752 3.401,753 3.367,754 3.332,755 3.296,756 1,757 31,758 10.134,759 4.148,760 7.534,761 20.499,762 17.195,763 2.034,764 54.917,768 435.531,769 56.77,770 82.58,772 36.145,774 56.77,775 471.676,776 82.58,778 100.645,780 43.177,781 31.672,783 435.531,785 435.531,786 139.35,787 36.145,790 353.133,791 107.543,792 11,793 132.317,794 7.033,797 435.531,798 118.725,799 56.77,801 435.531,802 56.77,804 18.011,805 100.714,806 435.531,807 118.725,808 56.77,810 0.552,811 0.292,812 0.14,813 0.066,814 12,815 5,816 0.217,817 15,819 1,820 4.319,821 182.757,823 9,824 122.382,826 22.522,827 12.645,828 9.825,830 118.725,838 82.58,839 611.025,840 30,841 7.516,842 11.889,845 0.158,846 66.748,847 77.803,848 0.216,849 0.376,850 0.537,851 0.708,852 0.804,853 0.855,854 4.654,855 1.345,856 5.58,857 3.169,858 4.263,859 4.369,860 2.447,861 6.344,862 4.221,863 5.746,864 1.014,865 7.119,866 2.778,867 3.892,868 4.111,869 1.854,870 7.786,871 3.84,872 7.011,873 1,874 8.811,875 2.136,876 5.883,877 6.094,878 3.166,879 10.79,880 5.799,881 8.323,882 0.624,883 10.615,884 2.105,885 6.479,886 6.77,887 3.197,888 13.164,889 6.368,890 9.691,891 0.301,892 12.499,893 1.336,894 7.967,895 8.264,896 4.174,897 15.871,898 7.827,899 11.099,900 0.112,901 14.436,902 0.716,903 8.988,904 9.339,905 4.503,906 18.451,907 8.813,908 12.537,909 -0.254,910 16.409,911 0.24,912 10.317,913 10.689,914 5.325,915 21.103,916 10.113,917 3.571,918 -0.598,919 18.404,920 -0.539,921 11.501,922 11.915,923 5.805,924 23.727,925 11.263,926 2.522,927 13.963,928 20.413,929 -1.269,930 12.784,931 13.229,932 6.547,933 26.367,934 12.516,935 2.278,936 6.965,937 22.432,938 3.725,939 14.025,940 14.51,941 7.106,942 29,943 13.726,944 1.926,945 5.997,946 24.456,947 2.749,948 15.298,949 15.819,950 7.804,951 31.637,952 14.97,953 1.738,954 3.871,955 26.485,956 2.522,957 16.559,958 17.12,959 8.404,960 34.273,961 16.201,962 1.564,963 3.744,964 28.516,965 1.948,966 17.831,967 18.43,968 9.079,969 36.91,970 17.443,971 1.53,972 3.515,973 30.549,974 1.925,975 19.099,976 19.739,977 9.701,978 39.546,979 18.683,980 11846,981 15891,982 18.545,983 40.393,984 39.228,985 40.204,986 40.933,987 39.031,988 39.049,989 41.185,990 8.712,991 101.07,992 38.178,993 5.626,994 5.938,995 7.606,996 5.581,997 5.571,998 5.725,999 3.313,1000 20.929,1001 5.473,1002 12.389,1003 1.401,1004 1.436,1005 1.462,1006 1.394,1007 1.395,1008 1.471,1009 0.311,1010 3.61,1011 1.363,1012 3.974,1013 4.027,1014 3.888,1015 3.843,1016 7.429,1017 3.845,1018 3.891,1019 3.945,1020 3.75,1021 3.775,1022 5.875,1023 3.761,1024 3.796,1025 3.858,1026 3.636,1027 3.68,1028 4.794,1029 3.661,1030 3.67,1031 3.73,1032 3.517,1033 3.53,1034 4.59,1035 3.516,1036 3.504,1037 3.561,1038 3.354,1039 3.325,1040 4.288,1041 3.319,1042 3.337,1043 3.4,1044 3.171,1045 3.144,1046 4.207,1047 3.137,1048 3.22,1049 3.334,1050 3.072,1051 3.009,1052 4.173,1053 2.997,1054 3.191,1055 3.269,1056 2.995,1057 2.941,1058 3.972,1059 2.932,1060 0.165,1061 0.141,1062 0.274,1063 0.162,1064 0.128,1065 4.626,1066 0.133,1067 3.938,1068 0.068,1069 7.661,1070 0.499,1071 4.544,1072 0.124,1073 3.571,1074 3.725,1075 1.91,1076 13.963,1077 3.473,1078 1.888,1079 1.836,1080 2.111,1081 2.035,1082 1.507,1083 2.063,1084 1.817,1085 1.759,1086 2.062,1087 1.975,1088 1.426,1089 2.007,1090 1.697,1091 1.639,1092 1.945,1093 1.885,1094 1.286,1095 1.903,1096 1.542,1097 1.483,1098 1.775,1099 1.775,1100 1.076,1101 1.771,1102 1.434,1103 1.367,1104 1.642,1105 1.673,1106 0.943,1107 1.678,1108 1.314,1109 1.247,1110 1.598,1111 1.551,1112 0.836,1113 1.569,1114 1.19,1115 1.114,1116 1.513,1117 1.435,1118 0.825,1119 1.46,1120 1.153,1121 1.064,1122 1.513,1123 1.376,1124 0.825,1125 1.429,1126 4.043,1127 1.946,1128 5.283,1129 3.932,1130 6.715,1131 5.9,1132 8.25,1133 7.835,1134 9.852,1138 5.537,1140 20.701,1141 2.923,1142 5.85,1143 0.832,1145 -0.489,1148 36.503,1149 89.425,1150 155.839,1151 222.211,1152 293.279,1153 332.728,1154 353.947,1155 78.561,1156 6.328,1157 88.2,1158 88.2,1159 9,1160 12.067,1161 1.585,1162 1.585,1163 59.452,1164 161,1165 127,1166 0.169,1167 229.536,1168 409.74,1169 551.827,1170 5163,1172 19.374,1173 0.718,1174 0.637,1175 19.374,1176 17.199,1177 13.123,1178 0.469,1179 0.406,1180 11.268,1181 12.777,1182 11.061,1183 9.217,1184 13.123,1185 11.356,1186 10.943,1187 0.313,1188 0.249,1189 10.943,1190 8.701,1191 7.906,1192 0.208,1193 0.156,1194 7.906,1195 5.915,1196 5.629,1197 0.144,1198 0.101,1199 5.629,1200 3.945,1201 3.781,1202 0.102,1203 0.07,1204 3.781,1205 2.579,1206 0.293,1207 81.271,1208 0.232,1209 27.923,1210 0.401,1211 126,1212 271.449,1213 135.589,1214 260.03,1215 341.32,1216 242,1217 139,1218 233.498,1219 148.036,1220 235.968,1221 338.54,1222 222,1223 7.022} {0 CHEMBL1774570,1 1.276,2 15.786,3 6.435,4 41.411,5 117.125,6 5.756,7 0.207,8 4.224,9 4.38,10 3.536,11 3.743,12 5.129,13 3.658,14 4.804,15 5.026,16 3.794,17 4.125,18 5.626,19 3.981,20 5.135,21 5.424,22 3.86,23 4.254,24 5.923,25 4.079,26 5.17,27 5.467,28 3.785,29 4.223,30 6.007,31 4.041,32 5.123,33 5.428,34 3.701,35 4.163,36 6.003,37 3.968,38 4.982,39 5.269,40 3.608,41 4.11,42 5.74,43 3.914,44 4.955,45 5.25,46 3.502,47 4.055,48 5.71,49 3.844,50 4.893,51 5.21,52 3.329,53 3.932,54 5.561,55 3.703,56 0.089,57 0.926,58 16.672,59 6.808,60 11.204,61 9.941,62 0.221,63 1.445,64 28.327,65 11.425,66 27.413,67 16.701,68 0.322,69 1.77,70 37.912,71 13.747,72 41.96,73 20.782,74 0.344,75 1.75,76 39.226,77 13.231,78 50.656,79 20.45,80 0.421,81 1.596,82 36.861,83 13.319,84 77.446,85 19.826,86 0.222,87 1.47,88 31.891,89 12.492,90 36.788,91 18.335,92 0.218,93 1.435,94 31.006,95 11.671,96 36.322,97 17.55,98 0.21,99 1.279,100 28.528,101 10.722,102 30.455,103 16.103,104 31,105 37,106 0.206,107 0.444,108 0.562,109 0.687,110 0.768,111 0.819,112 3.373,113 1.172,114 -6.5,115 -6.33,116 -5.87,117 35.8,118 1,119 14,125 1,130 4,131 2,142 2,146 1,147 1,148 1,151 20,153 1,154 1,155 1,156 3,157 1,158 20,161 2,164 2,165 7,166 1,167 17,168 2,170 4,174 4,176 16,177 1,179 2,180 1,181 2,183 3,185 18,186 1,188 1,191 5,193 18,194 2,196 1,199 5,200 15,201 2,203 1,205 3,206 13,207 1,209 1,213 3,214 12,215 1,216 1476,217 18.932,218 18.932,219 18.932,220 18.932,221 18.932,222 17.948,223 11.826,224 11.86,225 19.005,226 14.259,227 14.259,228 14.259,229 14.259,230 14.259,231 12.722,232 11.398,233 5.581,234 14.372,235 4.79,236 3.32,237 2.589,238 1.811,239 1.31,240 0.996,241 4.037,245 1,246 905,247 4.69,249 86.626,251 114.622,256 2.73,257 21.403,259 0.75,260 0.67,261 0.67,262 0.9,263 1,264 0.67,265 0.5,266 0.74,267 58.5,268 442,269 4.573,270 3.887,271 7.609,272 4.479,273 3.507,274 3.804,275 1.367,276 13.765,277 3.406,278 4.154,279 3.461,280 6.021,281 3.792,282 2.784,283 3.617,284 1.041,285 8.543,286 2.801,287 3.705,288 2.723,289 5.314,290 3.386,291 2.381,292 3.038,293 0.125,294 6.853,295 2.39,296 2.996,297 2.069,298 4.66,299 2.93,300 1.93,301 2.021,303 3.94,304 1.93,305 2.935,306 1.978,307 4.238,308 2.735,309 1.735,310 1.934,312 3.84,313 1.735,314 2.826,315 1.913,316 3.928,317 2.562,318 1.615,319 1.829,321 3.62,322 1.526,323 2.715,324 1.714,325 3.727,326 2.475,327 1.471,328 1.714,330 3.383,331 1.473,332 2.5,333 1.408,334 3.46,335 2.337,336 1.334,337 1.5,339 2.745,340 1.333,341 2.426,342 1.09,343 3.414,344 2.015,345 1.017,346 1.422,347 2.275,348 1.015,349 2.051,350 1.03,351 3.414,352 2,353 1,354 1.041,355 1.964,356 1,357 1.897,358 1,359 3.353,360 1.722,361 0.74,362 0.81,363 1.647,364 0.723,365 1.625,366 0.628,367 3.034,368 1.575,369 0.574,370 0.594,371 1.071,372 0.574,373 1.217,374 0.319,375 2.651,376 1.136,377 0.135,378 0.141,379 0.249,380 0.135,381 1,382 0.182,383 2.502,384 1,389 0.907,391 2.196,392 0.743,393 -0.256,394 -0.274,395 -0.498,396 -0.255,397 13.533,398 0.483,399 0.515,400 0.018,401 24.75,402 0.884,403 9,404 0.321,405 15.75,406 0.563,407 31.686,408 1.132,409 33.267,410 0.497,411 15.699,412 0.561,413 3.639,414 0.13,415 9.932,416 0.355,417 0.121,418 0.037,419 0.148,420 0.886,421 1.291,422 1.128,423 1.231,424 0.788,425 1.198,426 0.495,427 1.34,428 1.087,429 1.328,430 0.435,431 1.269,432 0.818,433 1.052,434 0.942,435 1.03,436 0.761,437 0.999,438 1.309,439 0.998,440 1.041,441 0.986,442 1.267,443 0.985,444 1.165,445 0.841,446 0.917,447 0.875,448 1.221,449 0.884,450 0.926,451 1.036,452 0.971,453 1.043,454 0.979,455 1.026,456 0.828,457 1.09,458 1.045,459 1.099,460 0.83,461 1.092,462 0.799,463 0.928,464 0.943,465 0.961,466 0.803,467 0.964,468 5,469 0.091,470 2.667,471 1.438,472 1.156,473 0.646,474 0.284,475 0.276,476 0.185,477 0.111,478 11559,479 19696,480 1.968,481 58.2,482 27,483 4,486 4,488 4,490 1.699,491 1.856,492 3.874,493 1.556,497 85.503,498 1.276,499 2.746,500 3.477,501 4.255,502 4.756,503 5.07,504 3.369,505 4.039,506 4.77,507 4.116,508 1556.03,509 8.24,510 23615.4,513 406.428,514 1.353,515 4.737,516 0.172,517 0.005,518 0.076,519 0.04,520 0.036,521 0.022,522 0.01,523 0.012,524 0.009,525 0.006,526 0.388,528 0.75,529 2.562,530 148.294,531 -0.067,532 0.083,533 0.006,534 0.061,535 -0.046,536 0.045,537 0.202,538 -0.164,539 -0.047,540 -0.158,541 0.153,542 -0.131,543 0.111,544 -0.029,545 0.056,546 -0.024,547 0.078,548 0.005,549 -0.06,550 0.003,551 -0.025,552 -0.029,553 -0.032,554 -0.021,555 0.117,556 0.092,557 0.073,558 0.089,559 0.156,560 0.078,561 -0.022,562 -0.058,563 0.004,564 -0.005,565 -0.009,566 -0.003,567 -0.038,568 -0.094,569 -0.074,570 -0.087,571 -0.025,572 -0.085,573 -0.021,574 0.007,575 0.002,576 0.009,577 -0.041,578 0.008,579 1.855,580 5.449,581 0.357,582 39.48,583 0.978,584 1.137,585 5.272,586 27.798,587 0.615,588 3.401,589 3.638,590 3.829,591 3.871,592 3.97,593 3.912,594 3.892,595 3.912,596 4.007,597 3.951,598 9.096,599 0.556,600 385.66,601 3.401,602 4.89,603 5.694,604 6.529,605 7.362,606 8.213,607 9.062,608 9.925,609 10.785,610 11.657,611 4.5,612 1,617 1,619 1,623 4,628 2,630 6,631 1,638 67,639 8,640 1,641 29,642 68,643 24,644 6,645 2,646 4,647 1,648 2,649 2,652 1,655 3,656 1,657 14,659 8,660 16,661 1,662 2,663 1,664 1,667 2,670 39,671 4,672 4,673 4,677 3,679 1,681 1,682 1,691 1,693 1,704 1,710 2,712 1,715 28,716 1,718 14,719 1,723 1,731 1.5,734 1,737 15.083,738 11.583,739 6.569,740 4.868,741 1.21,742 1.182,743 0.922,744 9.877,745 7.87,746 3.555,747 3.942,748 4.321,749 4.624,750 5.028,751 5.084,752 5.219,753 5.236,754 5.489,755 5.485,756 1,757 36,758 10.471,759 4.281,760 7.551,761 20.917,762 17.236,763 2.051,764 57.417,768 411.989,769 95.617,770 82.58,772 25.145,774 95.617,775 437.133,776 82.58,777 8.825,778 86.391,779 37.905,780 32.177,781 38.043,783 411.989,785 411.989,786 178.197,787 25.145,790 364.904,791 72.229,793 126.889,794 51.309,797 411.989,798 107.725,799 95.617,801 411.989,802 48.887,803 46.73,804 18.011,805 89.714,806 411.989,807 107.725,808 95.617,810 0.554,811 0.314,812 0.144,813 0.072,814 13,815 6,816 0.206,817 14,819 1,820 4.231,821 203.313,823 10,824 128.606,826 22.779,827 12.14,828 7.451,830 107.725,831 7.911,836 1.945,838 82.58,839 615.331,840 34,841 7.727,842 12.449,845 -0.051,846 65.538,847 76.178,848 0.21,849 0.453,850 0.573,851 0.701,852 0.784,853 0.836,854 4.766,855 1.334,856 5.659,857 3.383,858 4.317,859 4.625,860 1.836,861 6.457,862 4.299,863 5.898,864 1.017,865 7.219,866 2.745,867 3.892,868 4.331,869 0.904,870 7.811,871 3.84,872 7.183,873 1,874 8.921,875 2.275,876 5.948,877 6.592,878 2.065,879 10.858,880 5.897,881 8.513,882 0.74,883 10.722,884 1.964,885 6.494,886 7.178,887 1.55,888 13.146,889 6.396,890 9.891,891 0.574,892 12.593,893 1.647,894 7.993,895 8.918,896 2.416,897 15.842,898 7.888,899 11.299,900 0.135,901 14.511,902 1.071,903 8.964,904 9.866,905 2.162,906 18.379,907 8.81,908 12.73,910 16.462,911 0.249,912 10.278,913 11.404,914 2.852,915 21.011,916 10.105,917 3.507,918 -0.256,919 18.434,921 11.418,922 12.516,923 2.78,924 23.61,925 11.202,926 2.784,927 13.765,928 20.422,929 -0.498,930 12.678,931 13.961,932 3.351,933 26.232,934 12.434,935 2.381,936 8.543,937 22.421,938 3.804,939 13.884,940 15.155,941 3.406,942 28.848,943 13.602,944 1.93,945 6.853,946 24.427,947 3.617,948 15.131,949 16.551,950 3.895,951 31.469,952 14.818,953 1.735,954 3.94,955 26.439,956 3.038,957 16.363,958 17.792,959 4.035,960 34.089,961 16.015,962 1.615,963 3.84,964 28.455,965 2.021,966 17.61,967 19.16,968 4.467,969 36.711,970 17.229,971 1.471,972 3.62,973 30.474,974 1.934,975 18.853,976 20.43,977 4.666,978 39.332,979 18.439,980 11682,981 15616,982 18.951,983 41.177,984 40.756,985 41.183,986 43.301,987 40.479,988 40.443,989 46.932,990 5.066,991 107.786,992 40.08,993 5.573,994 5.887,995 7.592,996 5.481,997 5.507,998 6.804,999 2.483,1000 20.782,1001 5.406,1002 14.592,1003 1.405,1004 1.42,1005 1.493,1006 1.396,1007 1.395,1008 1.618,1009 0.175,1010 3.717,1011 1.382,1012 4.003,1013 4.043,1014 3.933,1015 3.916,1016 7.429,1017 3.914,1018 3.886,1019 3.933,1020 3.794,1021 3.787,1022 5.874,1023 3.782,1024 3.806,1025 3.867,1026 3.644,1027 3.692,1028 4.794,1029 3.672,1030 3.674,1031 3.74,1032 3.503,1033 3.551,1034 4.703,1035 3.53,1036 3.511,1037 3.582,1038 3.343,1039 3.373,1040 4.269,1041 3.353,1042 3.338,1043 3.406,1044 3.196,1045 3.173,1046 4.239,1047 3.164,1048 3.283,1049 3.388,1050 3.146,1051 3.016,1052 4.122,1053 3.029,1054 3.187,1055 3.255,1056 2.999,1057 2.962,1058 3.956,1059 2.973,1060 0.158,1061 0.134,1062 0.262,1063 0.154,1064 0.121,1065 4.573,1066 0.131,1067 3.887,1068 0.047,1069 7.609,1070 0.475,1071 4.479,1072 0.117,1073 3.507,1074 3.804,1075 1.367,1076 13.765,1077 3.406,1078 1.959,1079 1.93,1080 2.102,1081 2.082,1082 1.473,1083 2.088,1084 1.89,1085 1.843,1086 2.08,1087 2.011,1088 1.441,1089 2.036,1090 1.816,1091 1.757,1092 2.042,1093 1.962,1094 1.345,1095 1.994,1096 1.702,1097 1.639,1098 1.955,1099 1.862,1100 1.21,1101 1.898,1102 1.536,1103 1.468,1104 1.82,1105 1.717,1106 1.068,1107 1.756,1108 1.34,1109 1.271,1110 1.65,1111 1.548,1112 0.903,1113 1.582,1114 1.205,1115 1.12,1116 1.467,1117 1.532,1118 0.703,1119 1.521,1120 1.141,1121 1.063,1122 1.433,1123 1.402,1124 0.499,1125 1.407,1126 4.078,1128 5.371,1130 6.86,1132 8.451,1134 10.102,1135 2.265,1138 5.677,1140 17.134,1141 2.964,1145 -0.605,1148 37.261,1149 85.503,1150 183.987,1151 232.932,1152 285.105,1153 318.654,1154 339.673,1155 80.28,1156 6.661,1157 78.97,1158 78.97,1159 10,1160 12.203,1161 3.17,1162 2.585,1163 62.869,1164 152,1165 180,1166 0.196,1167 235.942,1168 416.73,1169 567.458,1170 6982,1172 20.244,1173 0.723,1174 0.632,1175 20.244,1176 17.694,1177 13.571,1178 0.468,1179 0.391,1180 11.283,1181 13.373,1182 11.004,1183 9.274,1184 13.571,1185 11.332,1186 11.303,1187 0.305,1188 0.228,1189 11.303,1190 8.432,1191 8.965,1192 0.199,1193 0.136,1194 8.965,1195 6.111,1196 6.246,1197 0.133,1198 0.08,1199 6.246,1200 3.744,1201 4.567,1202 0.088,1203 0.046,1204 4.567,1205 2.411,1206 0.33,1207 82.963,1208 0.23,1209 28.266,1210 0.482,1211 132,1212 267.714,1213 138.71,1214 269.887,1215 364.54,1216 250,1217 148,1218 263.862,1219 154.545,1220 271.561,1221 391.24,1222 256,1223 5.796} {0 CHEMBL1774571,1 1.276,2 15.714,3 6.329,4 40.051,5 117.531,6 5.756,7 0.207,8 4.224,9 4.38,10 3.541,11 3.738,12 5.123,13 3.653,14 4.823,15 5.048,16 3.819,17 4.141,18 5.627,19 4.001,20 5.156,21 5.446,22 3.86,23 4.276,24 5.912,25 4.097,26 5.17,27 5.461,28 3.847,29 4.236,30 6.014,31 4.066,32 5.118,33 5.408,34 3.714,35 4.198,36 6.025,37 4.006,38 5.049,39 5.351,40 3.588,41 4.143,42 5.747,43 3.926,44 4.959,45 5.265,46 3.462,47 4.026,48 5.687,49 3.808,50 4.838,51 5.147,52 3.321,53 3.9,54 5.511,55 3.68,56 0.087,57 0.928,58 16.693,59 6.751,60 10.672,61 9.905,62 0.24,63 1.477,64 29.001,65 11.4,66 24.443,67 16.815,68 0.322,69 1.791,70 38.549,71 14.261,72 37.281,73 21.351,74 0.34,75 1.745,76 39.315,77 13.555,78 48.041,79 20.62,80 0.429,81 1.651,82 37.185,83 13.335,84 79.955,85 19.984,86 0.214,87 1.54,88 33.536,89 13.266,90 34.724,91 19.552,92 0.222,93 1.407,94 30.848,95 11.49,96 35.992,97 17.347,98 0.2,99 1.23,100 27.179,101 10.214,102 27.587,103 15.329,104 31,105 36,106 0.206,107 0.447,108 0.602,109 0.724,110 0.783,111 0.834,112 3.373,113 1.176,114 -6.5,115 -6.33,116 -5.87,117 35.8,118 1,119 13,123 1,124 1,130 4,131 2,142 2,146 1,147 1,148 1,151 19,152 1,153 4,155 1,157 1,158 19,161 4,162 1,163 2,165 2,167 17,168 1,170 6,174 2,176 16,177 1,179 2,180 1,181 2,183 2,185 17,186 1,188 2,191 4,193 16,194 2,196 2,199 4,200 13,201 2,203 2,205 2,206 12,207 1,209 2,213 2,214 11,215 1,216 1456,217 19.062,218 19.062,219 19.062,220 19.062,221 19.062,222 18.089,223 13.384,224 12.107,225 19.193,226 14.294,227 14.294,228 14.294,229 14.294,230 14.294,231 12.751,232 11.678,233 5.751,234 14.497,235 4.79,236 3.299,237 2.34,238 1.586,239 1.221,240 0.907,241 4.042,245 1,246 900,247 4.359,250 97.904,251 108.093,256 2.663,257 20.873,259 0.75,260 0.67,261 0.67,262 0.9,263 1,264 0.67,265 0.5,266 0.74,267 58.5,268 440,269 4.33,270 3.769,271 6.711,272 4.101,273 3.137,274 3.808,275 1.4,276 10.772,277 3.027,278 3.981,279 3.173,280 5.948,281 3.67,282 2.68,283 3.278,284 1.149,285 8.204,286 2.646,287 3.683,288 2.725,289 5.339,290 3.369,291 2.371,292 2.951,293 0.322,294 6.878,295 2.363,296 3.151,297 2.219,298 4.921,299 2.932,300 1.934,301 2.251,303 5.157,304 1.931,305 2.932,306 1.967,307 3.941,308 2.811,309 1.854,310 1.933,312 3.85,313 1.776,314 2.747,315 1.909,316 3.907,317 2.715,318 1.72,319 1.745,321 3.43,322 1.705,323 2.644,324 1.714,325 3.723,326 2.439,327 1.438,328 1.594,330 3.122,331 1.437,332 2.5,333 1.408,334 3.441,335 2.313,336 1.31,337 1.5,339 2.746,340 1.309,341 2.425,342 1.143,343 3.414,344 2.022,345 1.024,346 1.418,347 2.275,348 1.022,349 2.053,350 1.03,351 3.327,352 2,353 1,354 1.044,355 1.982,356 1,357 1.889,358 1.007,359 3.281,360 1.69,361 0.734,362 0.794,363 1.745,364 0.698,365 1.836,366 1,367 3.034,368 1.653,369 0.652,370 0.714,371 1.482,372 0.65,373 1.622,374 0.625,375 2.644,376 1.535,377 0.52,378 0.568,379 1.026,380 0.525,381 1.216,382 0.239,383 2.295,384 1.127,385 0.123,386 0.128,387 0.225,388 0.123,389 0.906,390 -0.115,391 2.11,392 0.73,393 -0.278,394 -0.302,395 -0.531,396 -0.279,397 13.533,398 0.483,399 0.456,400 0.016,401 25,402 0.893,403 9,404 0.321,405 16,406 0.571,407 31.525,408 1.126,409 33.267,410 0.497,411 15.997,412 0.571,413 3.803,414 0.136,415 9.827,416 0.351,417 0.121,419 0.214,420 0.854,421 1.372,422 1.118,423 1.271,424 0.769,425 1.219,426 0.612,427 1.296,428 1.102,429 1.28,430 0.452,431 1.238,432 0.787,433 0.99,434 0.941,435 1.019,436 0.747,437 0.994,438 1.381,439 1.016,440 0.973,441 0.968,442 1.406,443 0.946,444 1.25,445 0.927,446 1.063,447 0.973,448 1.321,449 1.004,450 0.66,451 1.02,452 0.914,453 1.033,454 0.691,455 1.007,456 0.812,457 1.03,458 0.988,459 1.032,460 0.809,461 1.026,462 0.842,463 0.954,464 0.972,465 0.986,466 0.836,467 0.989,468 3.5,469 0.09,470 2.444,471 1.181,472 1.152,473 0.542,474 0.354,475 0.242,476 0.179,477 0.11,478 11370,479 19455,480 1.976,481 58.2,482 25,483 7,486 3,488 4,490 1.699,491 1.867,492 3.879,493 0.811,497 85.503,498 1.276,499 2.767,500 3.726,501 4.48,502 4.846,503 5.159,504 3.387,505 4.423,506 4.769,507 4.097,508 1548.79,509 8.239,510 23300.8,513 406.428,514 1.287,515 4.745,516 0.121,517 0.005,518 0.068,519 0.033,520 0.033,521 0.018,522 0.013,523 0.011,524 0.009,525 0.006,526 0.316,527 0.17,528 0.75,529 2.562,530 147.913,531 -0.035,532 0.001,533 0.017,534 0.021,535 -0.035,536 0.023,537 0.166,538 -0.11,539 -0.051,540 -0.125,541 0.121,542 -0.111,543 0.106,544 0.028,545 0.05,546 -0.01,547 0.063,548 0.013,549 -0.024,550 -0.033,551 0.046,552 0.006,553 -0.011,554 0.029,555 0.041,556 0.06,557 -0.051,558 0.012,559 0.104,560 -0.022,561 0.029,562 -0.069,563 0.029,564 -0.014,565 0.028,566 0.002,567 -0.021,568 -0.062,569 -0.028,570 -0.044,571 -0.008,572 -0.038,573 -0.034,575 -0.016,576 -0.003,577 -0.044,578 -0.007,579 1.664,580 5.69,581 0.393,582 38.714,583 0.978,584 1.137,585 5.272,586 27.798,587 0.615,588 3.401,589 3.611,590 3.807,591 3.97,592 4.043,593 4.043,594 4.043,595 4.094,596 4.143,597 4.094,598 8.979,599 0.556,600 385.66,601 3.401,602 4.875,603 5.673,604 6.497,605 7.322,606 8.16,607 9.001,608 9.85,609 10.701,610 11.558,611 4.5,612 1,617 1,619 1,623 4,628 2,630 6,632 1,638 67,639 8,640 1,641 29,642 68,643 24,644 6,645 2,646 4,647 1,648 2,649 2,652 1,655 3,657 14,659 8,660 16,662 2,663 1,664 1,667 2,670 39,671 4,672 3,673 4,677 3,679 1,681 1,682 1,689 1,692 1,693 1,704 1,710 2,712 1,715 28,716 1,718 14,721 1,722 1,731 1.5,734 1,737 15,738 11.617,739 6.611,740 4.897,741 1.247,742 1.182,743 0.928,744 10.458,745 8.085,746 3.555,747 3.922,748 4.307,749 4.681,750 5.069,751 5.166,752 5.336,753 5.402,754 5.569,755 5.591,756 1,757 36,758 10.472,759 4.244,760 7.536,761 20.963,762 17.143,763 2.036,764 57,768 423.76,769 95.189,770 67.693,772 25.145,774 95.189,775 448.905,776 67.693,777 8.825,778 71.076,779 37.905,780 32.177,781 38.043,783 423.76,785 423.76,786 162.882,787 25.145,790 376.675,791 72.229,793 111.573,794 51.309,797 423.76,798 92.838,799 95.189,801 423.76,802 48.458,803 49.855,805 89.714,806 423.76,807 92.838,808 95.189,810 0.547,811 0.309,812 0.159,813 0.078,814 12,815 6,816 0.191,817 13,819 1,820 4.202,821 204.927,823 11,824 130.606,826 22.779,827 12.855,828 7.806,830 92.838,831 8.034,836 2.014,838 64.569,839 611.787,840 34,841 7.67,842 12.69,845 0.103,846 65.538,847 76.178,848 0.21,849 0.456,850 0.614,851 0.739,852 0.799,853 0.851,854 4.749,855 1.31,856 5.595,857 3.122,858 4.29,859 4.605,860 1.933,861 6.315,862 4.26,863 5.847,864 1.024,865 7.096,866 2.746,867 3.611,868 4.159,869 1.048,870 7.125,871 3.53,872 7.085,873 1,874 8.714,875 2.275,876 5.771,877 6.503,878 2.207,879 10.248,880 5.697,881 8.364,882 0.734,883 10.409,884 1.982,885 6.043,886 6.966,887 1.759,888 12.003,889 5.905,890 9.686,891 0.652,892 12.156,893 1.745,894 7.579,895 8.761,896 2.61,897 14.625,898 7.443,899 11.036,900 0.52,901 13.94,902 1.482,903 8.306,904 9.617,905 2.422,906 16.737,907 8.106,908 12.408,909 0.123,910 15.749,911 1.026,912 9.589,913 11.195,914 3.092,915 19.201,916 9.379,917 3.137,918 -0.278,919 17.576,920 0.225,921 10.534,922 12.242,923 3.08,924 21.458,925 10.266,926 2.68,927 10.772,928 19.417,929 -0.531,930 11.717,931 13.717,932 3.633,933 23.866,934 11.426,935 2.371,936 8.204,937 21.269,938 3.808,939 12.762,940 14.87,941 3.74,942 26.188,943 12.42,944 1.934,945 6.878,946 23.129,947 3.278,948 13.908,949 16.288,950 4.217,951 28.575,952 13.536,953 1.854,954 5.157,955 24.995,956 2.951,957 15.001,958 17.506,959 4.403,960 30.925,961 14.582,962 1.72,963 3.85,964 26.867,965 2.251,966 16.136,967 18.891,968 4.831,969 33.305,970 15.682,971 1.438,972 3.43,973 28.743,974 1.933,975 17.25,976 20.15,977 5.069,978 35.669,979 16.754,980 11509,981 15423,982 19.068,983 41.177,984 41.188,985 41.815,986 42.709,987 41.044,988 40.99,989 47.454,990 5.745,991 105.792,992 40.425,993 5.287,994 5.769,995 6.694,996 5.123,997 5.137,998 6.808,999 2.527,1000 18.048,1001 5.027,1002 14.591,1003 1.42,1004 1.442,1005 1.473,1006 1.415,1007 1.413,1008 1.636,1009 0.198,1010 3.648,1011 1.394,1012 3.999,1013 4.037,1014 3.933,1015 3.914,1016 7.428,1017 3.912,1018 3.84,1019 3.898,1020 3.739,1021 3.699,1022 5.874,1023 3.701,1024 3.804,1025 3.863,1026 3.643,1027 3.692,1028 4.793,1029 3.672,1030 3.67,1031 3.737,1032 3.498,1033 3.548,1034 4.702,1035 3.526,1036 3.505,1037 3.578,1038 3.331,1039 3.369,1040 4.242,1041 3.348,1042 3.353,1043 3.45,1044 3.229,1045 3.161,1046 4.207,1047 3.15,1048 3.305,1049 3.381,1050 3.135,1051 3.085,1052 4.121,1053 3.101,1054 3.151,1055 3.208,1056 2.977,1057 2.966,1058 3.953,1059 2.96,1060 0.149,1061 0.13,1062 0.231,1063 0.141,1064 0.108,1065 4.33,1066 0.131,1067 3.769,1068 0.048,1069 6.711,1070 0.371,1071 4.101,1072 0.104,1073 3.137,1074 3.808,1075 1.4,1076 10.772,1077 3.027,1078 1.947,1079 1.921,1080 2.093,1081 2.039,1082 1.441,1083 2.055,1084 1.818,1085 1.758,1086 2.048,1087 1.969,1088 1.345,1089 2,1090 1.707,1091 1.644,1092 1.958,1093 1.877,1094 1.217,1095 1.905,1096 1.637,1097 1.576,1098 1.865,1099 1.831,1100 1.212,1101 1.838,1102 1.556,1103 1.49,1104 1.825,1105 1.752,1106 1.082,1107 1.778,1108 1.493,1109 1.42,1110 1.716,1111 1.693,1112 0.983,1113 1.724,1114 1.322,1115 1.244,1116 1.639,1117 1.529,1118 0.888,1119 1.57,1120 1.128,1121 1.056,1122 1.455,1123 1.415,1124 0.697,1125 1.411,1126 4.078,1128 5.313,1129 2.398,1130 6.732,1131 4.595,1132 8.248,1133 6.605,1134 9.823,1135 2.267,1138 5.643,1140 17.051,1143 -0.223,1144 1.75,1148 37.261,1149 85.503,1150 185.408,1151 249.634,1152 300.163,1153 324.654,1154 345.673,1155 77.274,1156 6.838,1157 70.18,1158 70.18,1159 11,1160 12.113,1161 3.17,1162 2.585,1163 62.881,1164 150,1165 180,1166 0.199,1167 235.942,1168 416.73,1169 567.458,1170 9005,1172 20.192,1173 0.721,1174 0.633,1175 20.192,1176 17.719,1177 13.63,1178 0.47,1179 0.392,1180 11.311,1181 13.398,1182 11.044,1183 9.303,1184 13.63,1185 11.37,1186 11.113,1187 0.309,1188 0.229,1189 11.113,1190 8.241,1191 8.757,1192 0.199,1193 0.134,1194 8.757,1195 5.893,1196 6.771,1197 0.13,1198 0.079,1199 6.771,1200 4.13,1201 4.82,1202 0.086,1203 0.046,1204 4.82,1205 2.58,1206 0.335,1207 83.474,1208 0.229,1209 28.191,1210 0.492,1211 130,1212 271.026,1213 137.071,1214 271.113,1215 366.18,1216 252,1217 145,1218 263.777,1219 152.377,1220 270.182,1221 390.48,1222 255,1223 6.886} {0 CHEMBL1774572,1 1.276,2 15.714,3 6.329,4 40.051,5 117.531,6 5.756,7 0.207,8 4.224,9 4.38,10 3.541,11 3.738,12 5.123,13 3.653,14 4.823,15 5.048,16 3.819,17 4.141,18 5.627,19 4.001,20 5.156,21 5.446,22 3.86,23 4.276,24 5.912,25 4.097,26 5.17,27 5.461,28 3.847,29 4.236,30 6.014,31 4.066,32 5.118,33 5.408,34 3.714,35 4.198,36 6.025,37 4.006,38 5.049,39 5.351,40 3.588,41 4.143,42 5.747,43 3.926,44 4.959,45 5.265,46 3.462,47 4.026,48 5.687,49 3.808,50 4.838,51 5.147,52 3.321,53 3.9,54 5.511,55 3.68,56 0.087,57 0.928,58 16.693,59 6.751,60 10.672,61 9.905,62 0.24,63 1.477,64 29.001,65 11.4,66 24.443,67 16.815,68 0.322,69 1.791,70 38.549,71 14.261,72 37.281,73 21.351,74 0.34,75 1.745,76 39.315,77 13.555,78 48.041,79 20.62,80 0.429,81 1.651,82 37.185,83 13.335,84 79.955,85 19.984,86 0.214,87 1.54,88 33.536,89 13.266,90 34.724,91 19.552,92 0.222,93 1.407,94 30.848,95 11.49,96 35.992,97 17.347,98 0.2,99 1.23,100 27.179,101 10.214,102 27.587,103 15.329,104 31,105 36,106 0.206,107 0.447,108 0.602,109 0.724,110 0.783,111 0.834,112 3.373,113 1.176,114 -6.5,115 -6.33,116 -5.87,117 35.8,118 1,119 13,123 1,124 1,130 4,131 2,142 2,146 1,147 1,148 1,151 19,152 1,153 4,155 1,157 1,158 19,161 4,162 1,163 2,165 2,167 17,168 1,170 6,174 2,176 16,177 1,179 2,180 1,181 2,183 2,185 17,186 1,188 2,191 4,193 16,194 2,196 2,199 4,200 13,201 2,203 2,205 2,206 12,207 1,209 2,213 2,214 11,215 1,216 1456,217 19.062,218 19.062,219 19.062,220 19.062,221 19.062,222 18.089,223 13.384,224 12.107,225 19.193,226 14.294,227 14.294,228 14.294,229 14.294,230 14.294,231 12.751,232 11.678,233 5.751,234 14.497,235 4.79,236 3.299,237 2.34,238 1.586,239 1.221,240 0.907,241 4.042,245 1,246 900,247 4.359,250 97.904,251 108.093,256 2.663,257 20.873,259 0.75,260 0.67,261 0.67,262 0.9,263 1,264 0.67,265 0.5,266 0.74,267 58.5,268 440,269 4.33,270 3.769,271 6.711,272 4.101,273 3.137,274 3.808,275 1.4,276 10.772,277 3.027,278 3.981,279 3.173,280 5.948,281 3.67,282 2.68,283 3.278,284 1.149,285 8.204,286 2.646,287 3.683,288 2.725,289 5.339,290 3.369,291 2.371,292 2.951,293 0.322,294 6.878,295 2.363,296 3.151,297 2.219,298 4.921,299 2.932,300 1.934,301 2.251,303 5.157,304 1.931,305 2.932,306 1.967,307 3.941,308 2.811,309 1.854,310 1.933,312 3.85,313 1.776,314 2.747,315 1.909,316 3.907,317 2.715,318 1.72,319 1.745,321 3.43,322 1.705,323 2.644,324 1.714,325 3.723,326 2.439,327 1.438,328 1.594,330 3.122,331 1.437,332 2.5,333 1.408,334 3.441,335 2.313,336 1.31,337 1.5,339 2.746,340 1.309,341 2.425,342 1.143,343 3.414,344 2.022,345 1.024,346 1.418,347 2.275,348 1.022,349 2.053,350 1.03,351 3.327,352 2,353 1,354 1.044,355 1.982,356 1,357 1.889,358 1.007,359 3.281,360 1.69,361 0.734,362 0.794,363 1.745,364 0.698,365 1.836,366 1,367 3.034,368 1.653,369 0.652,370 0.714,371 1.482,372 0.65,373 1.622,374 0.625,375 2.644,376 1.535,377 0.52,378 0.568,379 1.026,380 0.525,381 1.216,382 0.239,383 2.295,384 1.127,385 0.123,386 0.128,387 0.225,388 0.123,389 0.906,390 -0.115,391 2.11,392 0.73,393 -0.278,394 -0.302,395 -0.531,396 -0.279,397 13.533,398 0.483,399 0.456,400 0.016,401 25,402 0.893,403 9,404 0.321,405 16,406 0.571,407 31.525,408 1.126,409 33.267,410 0.497,411 15.997,412 0.571,413 3.803,414 0.136,415 9.827,416 0.351,417 0.121,419 0.214,420 0.854,421 1.372,422 1.118,423 1.271,424 0.769,425 1.219,426 0.612,427 1.296,428 1.102,429 1.28,430 0.452,431 1.238,432 0.787,433 0.99,434 0.941,435 1.019,436 0.747,437 0.994,438 1.381,439 1.016,440 0.973,441 0.968,442 1.406,443 0.946,444 1.25,445 0.927,446 1.063,447 0.973,448 1.321,449 1.004,450 0.66,451 1.02,452 0.914,453 1.033,454 0.691,455 1.007,456 0.812,457 1.03,458 0.988,459 1.032,460 0.809,461 1.026,462 0.842,463 0.954,464 0.972,465 0.986,466 0.836,467 0.989,468 3.5,469 0.09,470 2.444,471 1.181,472 1.152,473 0.542,474 0.354,475 0.242,476 0.179,477 0.11,478 11370,479 19455,480 1.976,481 58.2,482 25,483 7,486 3,488 4,490 1.699,491 1.867,492 3.879,493 0.811,497 85.503,498 1.276,499 2.767,500 3.726,501 4.48,502 4.846,503 5.159,504 3.387,505 4.423,506 4.769,507 4.097,508 1548.79,509 8.239,510 23300.8,513 406.428,514 1.287,515 4.745,516 0.121,517 0.005,518 0.068,519 0.033,520 0.033,521 0.018,522 0.013,523 0.011,524 0.009,525 0.006,526 0.316,527 0.17,528 0.75,529 2.562,530 147.913,531 -0.035,532 0.001,533 0.017,534 0.021,535 -0.035,536 0.023,537 0.166,538 -0.11,539 -0.051,540 -0.125,541 0.121,542 -0.111,543 0.106,544 0.028,545 0.05,546 -0.01,547 0.063,548 0.013,549 -0.024,550 -0.033,551 0.046,552 0.006,553 -0.011,554 0.029,555 0.041,556 0.06,557 -0.051,558 0.012,559 0.104,560 -0.022,561 0.029,562 -0.069,563 0.029,564 -0.014,565 0.028,566 0.002,567 -0.021,568 -0.062,569 -0.028,570 -0.044,571 -0.008,572 -0.038,573 -0.034,575 -0.016,576 -0.003,577 -0.044,578 -0.007,579 1.664,580 5.69,581 0.393,582 38.714,583 0.978,584 1.137,585 5.272,586 27.798,587 0.615,588 3.401,589 3.611,590 3.807,591 3.97,592 4.043,593 4.043,594 4.043,595 4.094,596 4.143,597 4.094,598 8.979,599 0.556,600 385.66,601 3.401,602 4.875,603 5.673,604 6.497,605 7.322,606 8.16,607 9.001,608 9.85,609 10.701,610 11.558,611 4.5,612 1,617 1,619 1,623 4,628 2,630 6,632 1,638 67,639 8,640 1,641 29,642 68,643 24,644 6,645 2,646 4,647 1,648 2,649 2,652 1,655 3,657 14,659 8,660 16,662 2,663 1,664 1,667 2,670 39,671 4,672 3,673 4,677 3,679 1,681 1,682 1,689 1,692 1,693 1,704 1,710 2,712 1,715 28,716 1,718 14,721 1,722 1,731 1.5,734 1,737 15,738 11.617,739 6.611,740 4.897,741 1.247,742 1.182,743 0.928,744 10.458,745 8.085,746 3.555,747 3.922,748 4.307,749 4.681,750 5.069,751 5.166,752 5.336,753 5.402,754 5.569,755 5.591,756 1,757 36,758 10.472,759 4.244,760 7.536,761 20.963,762 17.143,763 2.036,764 57,768 423.76,769 95.189,770 67.693,772 25.145,774 95.189,775 448.905,776 67.693,777 8.825,778 71.076,779 37.905,780 32.177,781 38.043,783 423.76,785 423.76,786 162.882,787 25.145,790 376.675,791 72.229,793 111.573,794 51.309,797 423.76,798 92.838,799 95.189,801 423.76,802 48.458,803 49.855,805 89.714,806 423.76,807 92.838,808 95.189,810 0.547,811 0.309,812 0.159,813 0.078,814 12,815 6,816 0.191,817 13,819 1,820 4.202,821 204.927,823 11,824 130.606,826 22.779,827 12.855,828 7.806,830 92.838,831 8.034,836 2.014,838 64.569,839 611.787,840 34,841 7.67,842 12.69,845 0.103,846 65.538,847 76.178,848 0.21,849 0.456,850 0.614,851 0.739,852 0.799,853 0.851,854 4.749,855 1.31,856 5.595,857 3.122,858 4.29,859 4.605,860 1.933,861 6.315,862 4.26,863 5.847,864 1.024,865 7.096,866 2.746,867 3.611,868 4.159,869 1.048,870 7.125,871 3.53,872 7.085,873 1,874 8.714,875 2.275,876 5.771,877 6.503,878 2.207,879 10.248,880 5.697,881 8.364,882 0.734,883 10.409,884 1.982,885 6.043,886 6.966,887 1.759,888 12.003,889 5.905,890 9.686,891 0.652,892 12.156,893 1.745,894 7.579,895 8.761,896 2.61,897 14.625,898 7.443,899 11.036,900 0.52,901 13.94,902 1.482,903 8.306,904 9.617,905 2.422,906 16.737,907 8.106,908 12.408,909 0.123,910 15.749,911 1.026,912 9.589,913 11.195,914 3.092,915 19.201,916 9.379,917 3.137,918 -0.278,919 17.576,920 0.225,921 10.534,922 12.242,923 3.08,924 21.458,925 10.266,926 2.68,927 10.772,928 19.417,929 -0.531,930 11.717,931 13.717,932 3.633,933 23.866,934 11.426,935 2.371,936 8.204,937 21.269,938 3.808,939 12.762,940 14.87,941 3.74,942 26.188,943 12.42,944 1.934,945 6.878,946 23.129,947 3.278,948 13.908,949 16.288,950 4.217,951 28.575,952 13.536,953 1.854,954 5.157,955 24.995,956 2.951,957 15.001,958 17.506,959 4.403,960 30.925,961 14.582,962 1.72,963 3.85,964 26.867,965 2.251,966 16.136,967 18.891,968 4.831,969 33.305,970 15.682,971 1.438,972 3.43,973 28.743,974 1.933,975 17.25,976 20.15,977 5.069,978 35.669,979 16.754,980 11509,981 15423,982 19.068,983 41.177,984 41.188,985 41.815,986 42.709,987 41.044,988 40.99,989 47.454,990 5.745,991 105.792,992 40.425,993 5.287,994 5.769,995 6.694,996 5.123,997 5.137,998 6.808,999 2.527,1000 18.048,1001 5.027,1002 14.591,1003 1.42,1004 1.442,1005 1.473,1006 1.415,1007 1.413,1008 1.636,1009 0.198,1010 3.648,1011 1.394,1012 3.999,1013 4.037,1014 3.933,1015 3.914,1016 7.428,1017 3.912,1018 3.84,1019 3.898,1020 3.739,1021 3.699,1022 5.874,1023 3.701,1024 3.804,1025 3.863,1026 3.643,1027 3.692,1028 4.793,1029 3.672,1030 3.67,1031 3.737,1032 3.498,1033 3.548,1034 4.702,1035 3.526,1036 3.505,1037 3.578,1038 3.331,1039 3.369,1040 4.242,1041 3.348,1042 3.353,1043 3.45,1044 3.229,1045 3.161,1046 4.207,1047 3.15,1048 3.305,1049 3.381,1050 3.135,1051 3.085,1052 4.121,1053 3.101,1054 3.151,1055 3.208,1056 2.977,1057 2.966,1058 3.953,1059 2.96,1060 0.149,1061 0.13,1062 0.231,1063 0.141,1064 0.108,1065 4.33,1066 0.131,1067 3.769,1068 0.048,1069 6.711,1070 0.371,1071 4.101,1072 0.104,1073 3.137,1074 3.808,1075 1.4,1076 10.772,1077 3.027,1078 1.947,1079 1.921,1080 2.093,1081 2.039,1082 1.441,1083 2.055,1084 1.818,1085 1.758,1086 2.048,1087 1.969,1088 1.345,1089 2,1090 1.707,1091 1.644,1092 1.958,1093 1.877,1094 1.217,1095 1.905,1096 1.637,1097 1.576,1098 1.865,1099 1.831,1100 1.212,1101 1.838,1102 1.556,1103 1.49,1104 1.825,1105 1.752,1106 1.082,1107 1.778,1108 1.493,1109 1.42,1110 1.716,1111 1.693,1112 0.983,1113 1.724,1114 1.322,1115 1.244,1116 1.639,1117 1.529,1118 0.888,1119 1.57,1120 1.128,1121 1.056,1122 1.455,1123 1.415,1124 0.697,1125 1.411,1126 4.078,1128 5.313,1129 2.398,1130 6.732,1131 4.595,1132 8.248,1133 6.605,1134 9.823,1135 2.267,1138 5.643,1140 17.051,1143 -0.223,1144 1.75,1148 37.261,1149 85.503,1150 185.408,1151 249.634,1152 300.163,1153 324.654,1154 345.673,1155 77.274,1156 6.838,1157 70.18,1158 70.18,1159 11,1160 12.113,1161 3.17,1162 2.585,1163 62.881,1164 150,1165 180,1166 0.199,1167 235.942,1168 416.73,1169 567.458,1170 9005,1172 20.192,1173 0.721,1174 0.633,1175 20.192,1176 17.719,1177 13.63,1178 0.47,1179 0.392,1180 11.311,1181 13.398,1182 11.044,1183 9.303,1184 13.63,1185 11.37,1186 11.113,1187 0.309,1188 0.229,1189 11.113,1190 8.241,1191 8.757,1192 0.199,1193 0.134,1194 8.757,1195 5.893,1196 6.771,1197 0.13,1198 0.079,1199 6.771,1200 4.13,1201 4.82,1202 0.086,1203 0.046,1204 4.82,1205 2.58,1206 0.335,1207 83.474,1208 0.229,1209 28.191,1210 0.492,1211 130,1212 271.026,1213 137.071,1214 271.113,1215 366.18,1216 252,1217 145,1218 263.777,1219 152.377,1220 270.182,1221 390.48,1222 255,1223 4.796} {0 CHEMBL1774573,1 1.328,2 16.71,3 5.419,4 29.368,5 126.95,6 5.94,7 0.182,8 4.315,9 4.462,10 3.672,11 3.821,12 5.208,13 3.751,14 4.934,15 5.143,16 3.97,17 4.246,18 5.745,19 4.124,20 5.275,21 5.552,22 4.006,23 4.392,24 6.032,25 4.224,26 5.303,27 5.593,28 3.951,29 4.316,30 6.133,31 4.153,32 5.182,33 5.464,34 3.811,35 4.235,36 6.096,37 4.062,38 5.09,39 5.378,40 3.691,41 4.194,42 5.81,43 3.997,44 5.037,45 5.332,46 3.582,47 4.113,48 5.763,49 3.907,50 4.95,51 5.253,52 3.459,53 4.008,54 5.617,55 3.798,56 0.09,57 1.001,58 18.064,59 7.321,60 10.091,61 10.56,62 0.297,63 1.627,64 32.66,65 12.562,66 27.741,67 18.276,68 0.394,69 2.008,70 44.336,71 16.063,72 40.433,73 23.874,74 0.471,75 1.915,76 45.719,77 15.019,78 55.71,79 22.753,80 0.541,81 1.719,82 40.644,83 13.799,84 85.985,85 20.603,86 0.28,87 1.613,88 36.031,89 13.778,90 37.579,91 20.238,92 0.271,93 1.53,94 34.128,95 12.503,96 37.939,97 18.805,98 0.257,99 1.373,100 31.119,101 11.445,102 30.709,103 17.134,104 11,105 42,106 0.211,107 0.459,108 0.64,109 0.796,110 0.851,111 0.86,112 3.47,113 1.133,114 -5.21,115 -5.11,116 -4.78,117 36.1,119 13,120 1,123 3,124 1,130 4,131 2,142 2,146 1,147 1,148 1,151 19,152 1,153 6,155 1,157 1,158 19,161 7,162 1,163 2,165 2,167 14,168 1,170 9,174 2,176 11,177 1,179 4,180 1,181 2,183 2,185 14,186 1,188 3,191 4,193 15,194 2,196 3,199 4,200 13,201 2,203 3,205 2,206 11,207 1,209 4,213 2,214 9,215 1,216 1898,217 21.209,218 21.209,219 21.209,220 21.209,221 21.209,222 20.235,223 17.697,224 13.225,225 21.474,226 16.312,227 16.312,228 16.312,229 16.312,230 16.312,231 14.769,232 15.166,233 6.324,234 16.714,235 4.842,236 3.278,237 2.133,238 1.153,239 0.806,240 0.75,241 4.156,245 1,246 1097,247 4.183,250 109.265,251 254.86,256 2.77,257 25.225,259 1,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.86,267 65.5,268 518,269 4.33,270 3.769,271 6.711,272 4.101,273 3.137,274 3.808,275 1.4,276 10.772,277 3.027,278 3.981,279 3.173,280 5.948,281 3.67,282 2.68,283 3.278,284 1.149,285 8.204,286 2.646,287 3.683,288 2.725,289 5.34,290 3.509,291 2.522,292 2.951,293 0.86,294 6.965,295 2.491,296 3.522,297 2.658,298 5.339,299 3.369,300 2.371,301 2.522,302 0.322,303 6.878,304 2.363,305 3.151,306 2.219,307 4.921,308 2.872,309 1.897,310 2.251,312 5.157,313 1.853,314 2.886,315 2.154,316 3.931,317 2.789,318 1.836,319 1.887,321 3.785,322 1.745,323 2.676,324 1.953,325 3.888,326 2.573,327 1.615,328 1.651,330 3.324,331 1.541,332 2.6,333 1.738,334 3.693,335 2.426,336 1.432,337 1.571,339 3.127,340 1.42,341 2.5,342 1.459,343 3.521,344 2.309,345 1.314,346 1.5,347 2.92,348 1.301,349 2.422,350 1.181,351 3.414,352 2,353 1.027,354 1.417,355 2.275,356 1,357 2.059,358 1.142,359 3.352,360 2,361 1,362 1.05,363 2.168,364 1,365 2,366 1.007,367 3.282,368 1.973,369 1,370 1,371 2.136,372 0.962,373 1.889,374 1,375 3.247,376 1.688,377 0.733,378 0.793,379 1.745,380 0.698,381 1.835,382 1,383 3.156,384 1.628,385 0.632,386 0.707,387 1.509,388 0.622,389 1.57,390 0.709,391 2.779,392 1.46,393 0.476,394 0.514,395 1.048,396 0.465,397 14.867,398 0.48,399 0.524,400 0.017,401 27.5,402 0.887,403 9,404 0.29,405 18.5,406 0.597,407 35.564,408 1.147,409 36.733,410 0.51,411 18.059,412 0.583,413 4.303,414 0.139,415 10.845,416 0.35,417 0.076,419 0.229,420 0.847,421 1.372,422 1.055,423 1.274,424 0.753,425 1.193,426 0.926,427 1.264,428 1.125,429 1.25,430 0.538,431 1.218,432 0.879,433 1.047,434 0.992,435 1.082,436 0.759,437 1.052,438 1.435,439 0.977,440 0.983,441 0.935,442 1.376,443 0.92,444 1.418,445 0.883,446 1.078,447 0.92,448 1.39,449 0.964,450 0.844,451 1.028,452 0.966,453 1.04,454 0.763,455 1.029,456 0.797,457 1.048,458 1.007,459 1.056,460 0.811,461 1.053,462 0.817,463 0.954,464 0.971,465 0.988,466 0.811,467 0.994,468 4,469 0.078,470 2.667,471 1.243,472 1.223,473 0.577,474 0.373,475 0.254,476 0.187,477 0.116,478 16932,479 30797,480 2.05,481 56.9,482 20,483 11,486 3,488 7,490 1.724,491 1.958,492 3.973,493 0.78,497 95.609,498 1.328,499 2.892,500 4.037,501 5.017,502 5.364,503 5.42,504 3.386,505 4.632,506 4.925,507 4.216,508 1960.55,509 8.532,510 32696.3,513 444.235,514 1.191,515 4.904,516 0.121,517 0.004,518 0.063,519 0.03,520 0.032,521 0.017,522 0.012,523 0.01,524 0.008,525 0.005,526 0.304,527 0.17,528 0.88,529 0.646,530 170.19,531 -0.018,532 -0.01,533 0.038,534 0.01,535 -0.021,536 0.029,537 0.046,538 -0.083,539 -0.077,540 -0.101,541 0.084,542 -0.106,543 0.045,544 -0.024,545 -0.001,546 -0.065,547 0.046,548 -0.041,549 -0.066,550 -0.027,551 0.036,552 0.014,553 -0.025,554 0.032,555 -0.04,556 0.088,557 -0.053,558 0.046,559 0.071,560 0.001,561 -0.026,562 -0.064,563 -0.008,564 -0.015,565 0.003,566 -0.014,567 -0.034,568 -0.07,569 -0.05,570 -0.058,571 -0.016,572 -0.056,573 -0.036,575 -0.02,576 -0.003,577 -0.04,578 -0.009,579 1.671,580 5.734,581 0.548,582 43.409,583 0.983,584 1.136,585 3.985,586 15.878,587 0.617,588 3.526,589 3.761,590 3.97,591 4.143,592 4.234,593 4.174,594 4.174,595 4.22,596 4.263,597 4.22,598 9.889,599 0.563,600 427.7,601 3.526,602 5.017,603 5.826,604 6.655,605 7.483,606 8.321,607 9.158,608 10.003,609 10.848,610 11.699,611 4.2,612 1,617 1,619 1,623 4,628 2,630 6,632 1,638 72,639 8,640 1,641 33,642 74,643 26,644 6,645 2,646 4,647 1,648 3,649 3,655 8,656 1,657 14,659 8,660 18,661 1,662 2,663 1,664 1,667 2,670 41,671 5,672 3,673 5,677 3,679 1,681 1,682 2,689 1,692 1,693 2,704 1,709 1,710 3,715 31,716 1,718 16,720 1,721 2,722 1,731 2.8,734 1,735 1,737 15.833,738 12.117,739 7.111,740 5.064,741 1.226,742 1.169,743 0.937,744 10.19,745 8.466,746 3.664,747 4.034,748 4.41,749 4.77,750 5.142,751 5.21,752 5.374,753 5.437,754 5.599,755 5.62,756 0.909,757 41,758 11.611,759 4.818,760 7.527,761 23.29,762 19.559,763 2.027,764 62.833,768 447.302,769 95.548,770 67.693,772 36.145,774 95.548,775 483.447,776 67.693,778 80.261,779 37.905,780 43.177,781 38.043,783 447.302,785 447.302,786 163.242,787 36.145,790 364.904,791 107.543,792 11,793 111.933,794 51.309,797 447.302,798 103.838,799 95.548,801 447.302,802 57.643,803 41.029,805 100.714,806 447.302,807 103.838,808 95.548,810 0.558,811 0.318,812 0.167,813 0.084,814 16,815 7,816 0.162,817 12,819 1,820 4.575,821 241.342,823 17,824 145.58,826 24.104,827 13.105,828 7.823,830 103.838,831 8.004,836 1.988,838 64.569,839 646.688,840 38,841 7.689,842 12.734,845 0.091,846 70.748,847 81.803,848 0.215,849 0.469,850 0.654,851 0.813,852 0.869,853 0.878,854 4.879,855 1.432,856 5.753,857 3.324,858 4.443,859 4.718,860 2.127,861 6.472,862 4.398,863 5.972,864 1.314,865 7.252,866 3.127,867 3.761,868 4.248,869 1.048,870 7.248,871 3.692,872 7.208,873 1.027,874 8.863,875 2.92,876 5.932,877 6.584,878 2.32,879 10.357,880 5.844,881 8.479,882 1,883 10.546,884 2.275,885 6.176,886 7.021,887 1.759,888 12.075,889 6.052,890 9.793,891 1,892 12.279,893 2.168,894 7.727,895 8.809,896 2.668,897 14.683,898 7.586,899 11.133,900 0.733,901 14.048,902 2.136,903 8.417,904 9.648,905 2.422,906 16.774,907 8.232,908 12.495,909 0.632,910 15.842,911 1.745,912 9.709,913 11.22,914 3.119,915 19.228,916 9.503,917 3.137,918 0.476,919 17.656,920 1.509,921 10.621,922 12.259,923 3.08,924 21.476,925 10.368,926 2.68,927 10.772,928 19.485,929 1.048,930 11.805,931 13.729,932 3.645,933 23.878,934 11.525,935 2.522,936 8.204,937 21.326,938 3.808,939 12.827,940 14.878,941 3.74,942 26.195,943 12.5,944 2.371,945 6.965,946 23.176,947 3.278,948 13.97,949 16.294,950 4.222,951 28.58,952 13.61,953 1.897,954 6.878,955 25.035,956 2.951,957 15.047,958 17.51,959 4.403,960 30.929,961 14.642,962 1.836,963 5.157,964 26.9,965 2.522,966 16.177,967 18.894,968 4.833,969 33.308,970 15.736,971 1.615,972 3.785,973 28.77,974 2.251,975 17.283,976 20.152,977 5.069,978 35.671,979 16.798,980 16285,981 22220,982 22.246,983 44.393,984 47.662,985 48.644,986 48.679,987 47.405,988 47.376,989 53.836,990 7.465,991 124.1,992 46.298,993 5.33,994 5.769,995 6.621,996 5.136,997 5.137,998 6.808,999 2.527,1000 18.048,1001 5.027,1002 13.312,1003 1.444,1004 1.474,1005 1.475,1006 1.437,1007 1.436,1008 1.631,1009 0.226,1010 3.761,1011 1.403,1012 4.002,1013 4.04,1014 3.934,1015 3.916,1016 7.428,1017 3.914,1018 3.886,1019 3.939,1020 3.747,1021 3.775,1022 5.874,1023 3.76,1024 3.838,1025 3.894,1026 3.739,1027 3.698,1028 4.793,1029 3.7,1030 3.731,1031 3.79,1032 3.574,1033 3.612,1034 4.703,1035 3.594,1036 3.515,1037 3.573,1038 3.362,1039 3.355,1040 4.587,1041 3.345,1042 3.354,1043 3.449,1044 3.236,1045 3.148,1046 4.214,1047 3.145,1048 3.317,1049 3.383,1050 3.155,1051 3.087,1052 4.199,1053 3.104,1054 3.188,1055 3.243,1056 3.037,1057 3.024,1058 4.104,1059 3.018,1060 0.131,1061 0.114,1062 0.203,1063 0.124,1064 0.095,1065 4.33,1066 0.115,1067 3.769,1068 0.042,1069 6.711,1070 0.326,1071 4.101,1072 0.092,1073 3.137,1074 3.808,1075 1.4,1076 10.772,1077 3.027,1078 1.947,1079 1.921,1080 2.111,1081 2.041,1082 1.507,1083 2.064,1084 1.888,1085 1.835,1086 2.082,1087 2.032,1088 1.401,1089 2.05,1090 1.755,1091 1.697,1092 1.982,1093 1.917,1094 1.222,1095 1.941,1096 1.638,1097 1.578,1098 1.865,1099 1.837,1100 1.216,1101 1.839,1102 1.55,1103 1.489,1104 1.79,1105 1.755,1106 1.054,1107 1.774,1108 1.475,1109 1.408,1110 1.704,1111 1.689,1112 0.966,1113 1.709,1114 1.313,1115 1.246,1116 1.61,1117 1.532,1118 0.932,1119 1.56,1120 1.167,1121 1.101,1122 1.513,1123 1.426,1124 0.825,1125 1.429,1126 4.205,1128 5.46,1129 2.398,1130 6.899,1131 4.595,1132 8.426,1133 6.605,1134 10.003,1138 5.655,1140 18.452,1142 5.886,1143 0.589,1144 1.746,1148 40.503,1149 95.609,1150 208.241,1151 290.686,1152 361.215,1153 386.235,1154 390.235,1155 75.26,1156 7.241,1157 79.41,1158 79.41,1159 17,1160 12.258,1161 3.17,1162 2.585,1163 59.147,1164 186,1165 175,1166 0.148,1167 251.73,1168 447.76,1169 605.98,1170 16813,1172 21.891,1173 0.706,1174 0.617,1175 21.891,1176 19.119,1177 15.148,1178 0.459,1179 0.378,1180 12.367,1181 14.775,1182 12.134,1183 10.089,1184 15.148,1185 12.465,1186 12.699,1187 0.302,1188 0.224,1189 12.699,1190 9.406,1191 10.241,1192 0.197,1193 0.133,1194 10.241,1195 6.906,1196 8.076,1197 0.13,1198 0.08,1199 8.076,1200 4.98,1201 5.924,1202 0.087,1203 0.048,1204 5.924,1205 3.276,1206 0.251,1207 93.579,1208 0.212,1209 30.836,1210 0.36,1211 150,1212 334.761,1213 159.95,1214 324.695,1215 436.36,1216 304,1217 169,1218 307.414,1219 179.367,1220 312.966,1221 454.32,1222 295,1223 7.125} {0 CHEMBL1774574,1 1.257,2 16.71,3 7.121,4 50.711,5 129.479,6 5.753,7 0.182,8 4.332,9 4.485,10 3.659,11 3.861,12 5.191,13 3.776,14 4.953,15 5.171,16 3.962,17 4.296,18 5.723,19 4.156,20 5.32,21 5.609,22 3.993,23 4.451,24 6.029,25 4.262,26 5.343,27 5.643,28 3.939,29 4.394,30 6.12,31 4.203,32 5.257,33 5.556,34 3.806,35 4.323,36 6.102,37 4.119,38 5.167,39 5.471,40 3.69,41 4.262,42 5.831,43 4.042,44 5.087,45 5.395,46 3.578,47 4.159,48 5.775,49 3.937,50 4.981,51 5.292,52 3.453,53 4.049,54 5.616,55 3.825,56 0.095,57 1.034,58 18.608,59 7.654,60 10.868,61 11.165,62 0.256,63 1.706,64 33.102,65 13.35,66 25.291,67 19.531,68 0.351,69 2.136,70 45.264,71 17.3,72 38.584,73 25.662,74 0.374,75 2.068,76 46.116,77 16.491,78 50.37,79 24.849,80 0.453,81 1.893,82 42.234,83 15.515,84 80.853,85 23.125,86 0.231,87 1.748,88 37.648,89 15.127,90 35.204,91 22.187,92 0.239,93 1.617,94 34.961,95 13.34,96 36.37,97 19.976,98 0.217,99 1.438,100 31.292,101 12.058,102 27.781,103 17.954,104 11,105 42,106 0.198,107 0.419,108 0.556,109 0.699,110 0.771,111 0.822,112 3.47,113 1.172,114 -6.2,115 -6.04,116 -5.62,117 36.5,119 16,120 1,123 1,124 1,130 4,131 2,142 2,146 1,147 1,148 1,151 23,152 1,153 4,155 1,157 1,158 25,161 4,162 1,163 2,165 2,167 22,168 1,170 6,174 2,176 19,177 1,179 2,180 1,181 2,183 2,185 20,186 1,188 2,191 4,193 19,194 2,196 2,199 4,200 16,201 2,203 2,205 2,206 15,207 1,209 2,213 2,214 14,215 1,216 1898,217 21.209,218 21.209,219 21.209,220 21.209,221 21.209,222 20.235,223 13.384,224 13.225,225 21.339,226 16.312,227 16.312,228 16.312,229 16.312,230 16.312,231 14.769,232 11.678,233 6.324,234 16.515,235 4.952,236 3.55,237 2.682,238 1.78,239 1.321,240 0.997,241 4.156,245 1,246 1097,247 4.183,250 109.265,251 254.86,256 2.77,257 20.581,259 0.75,260 0.67,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.8,267 64.5,268 518,269 4.33,270 3.769,271 6.711,272 4.101,273 3.137,274 3.808,275 1.4,276 10.772,277 3.027,278 3.981,279 3.173,280 5.948,281 3.67,282 2.68,283 3.278,284 1.149,285 8.204,286 2.646,287 3.683,288 2.725,289 5.34,290 3.522,291 2.522,292 2.951,293 0.322,294 6.965,295 2.522,296 3.522,297 2.522,298 5.339,299 3.369,300 2.371,301 2.522,303 6.878,304 2.363,305 3.151,306 2.219,307 4.921,308 2.888,309 1.897,310 2.251,312 5.157,313 1.885,314 2.886,315 1.961,316 3.931,317 2.796,318 1.836,319 1.887,321 3.785,322 1.755,323 2.676,324 1.859,325 3.888,326 2.614,327 1.615,328 1.651,330 3.324,331 1.612,332 2.6,333 1.606,334 3.693,335 2.433,336 1.432,337 1.571,339 3.127,340 1.432,341 2.5,342 1.41,343 3.521,344 2.317,345 1.314,346 1.5,347 2.92,348 1.314,349 2.422,350 1.143,351 3.414,352 2.025,353 1.027,354 1.417,355 2.275,356 1.025,357 2.059,358 1.034,359 3.352,360 2,361 1,362 1.05,363 2.168,364 1,365 2,366 1.007,367 3.282,368 2,369 1,370 1,371 2.136,372 1,373 1.889,374 1,375 3.247,376 1.689,377 0.733,378 0.793,379 1.745,380 0.698,381 1.835,382 1,383 3.156,384 1.638,385 0.632,386 0.707,387 1.509,388 0.632,389 1.57,390 0.577,391 2.779,392 1.489,393 0.476,394 0.514,395 1.048,396 0.48,397 15.033,398 0.485,399 0.524,400 0.017,401 27,402 0.871,403 9,404 0.29,405 18,406 0.581,407 37.228,408 1.201,409 36.567,410 0.494,411 16.395,412 0.529,413 3.803,414 0.123,415 11.345,416 0.366,417 0.075,419 0.226,420 0.848,421 1.332,422 1.108,423 1.242,424 0.743,425 1.197,426 0.614,427 1.299,428 1.13,429 1.292,430 0.437,431 1.256,432 0.759,433 1.023,434 0.979,435 1.059,436 0.701,437 1.037,438 1.279,439 1.003,440 0.966,441 0.972,442 1.294,443 0.953,444 1.189,445 0.901,446 1.021,447 0.943,448 1.256,449 0.97,450 0.655,451 1.012,452 0.919,453 1.026,454 0.675,455 1.004,456 0.794,457 1.019,458 0.984,459 1.026,460 0.781,461 1.02,462 0.813,463 0.953,464 0.969,465 0.986,466 0.795,467 0.989,468 4,469 0.078,470 2.667,471 1.243,472 1.223,473 0.577,474 0.373,475 0.254,476 0.187,477 0.116,478 16932,479 27657,480 2.05,481 58.1,482 29,483 7,486 3,488 4,490 1.724,491 1.958,492 3.973,493 0.748,497 93.033,498 1.257,499 2.659,500 3.527,501 4.43,502 4.889,503 5.213,504 3.386,505 4.632,506 4.925,507 4.216,508 1960.55,509 8.532,510 32696.3,513 459.5,514 1.191,515 4.904,516 0.121,517 0.004,518 0.063,519 0.03,520 0.032,521 0.017,522 0.012,523 0.01,524 0.008,525 0.005,526 0.304,527 0.17,528 0.75,529 0.646,530 170.19,531 -0.029,532 0.026,533 0.031,534 0.041,535 -0.016,536 0.042,537 0.149,538 -0.11,539 -0.072,540 -0.131,541 0.12,542 -0.122,543 0.093,544 -0.005,545 0.01,546 -0.044,547 0.066,548 -0.025,549 -0.01,550 -0.039,551 0.035,552 -0.006,553 0.01,554 0.015,555 0.054,556 0.066,557 -0.023,558 0.029,559 0.12,560 0.001,561 0.029,562 -0.063,563 0.026,564 -0.014,565 0.033,566 0.001,567 -0.016,568 -0.055,569 -0.025,570 -0.039,571 0.002,572 -0.034,573 -0.027,575 -0.014,576 -0.003,577 -0.033,578 -0.007,579 1.66,580 5.744,581 0.548,582 43.409,583 0.977,584 1.135,585 4.974,586 24.737,587 0.618,588 3.526,589 3.761,590 3.97,591 4.143,592 4.234,593 4.174,594 4.174,595 4.22,596 4.263,597 4.22,598 9.889,599 0.558,600 425.73,601 3.526,602 5.017,603 5.826,604 6.655,605 7.483,606 8.321,607 9.158,608 10.003,609 10.848,610 11.699,611 4.1,612 1,617 1,619 1,623 4,628 2,630 6,632 1,638 74,639 8,640 1,641 33,642 76,643 27,644 6,645 2,646 4,647 1,648 3,649 3,655 8,656 1,657 17,659 8,660 19,661 1,662 2,663 1,664 1,667 2,670 43,671 4,672 3,673 4,677 3,679 1,681 1,682 1,689 1,692 1,693 2,704 1,710 3,715 31,716 1,718 17,721 2,722 1,731 1.4,734 1,737 15.833,738 12.45,739 7.111,740 5.397,741 1.226,742 1.169,743 0.942,744 10.229,745 8.466,746 3.664,747 4.034,748 4.41,749 4.77,750 5.142,751 5.21,752 5.374,753 5.437,754 5.599,755 5.62,756 0.909,757 41,758 11.625,759 4.827,760 7.462,761 23.572,762 20.02,763 1.962,764 60.833,768 470.844,769 93.967,770 67.693,772 25.145,774 93.967,775 495.989,776 67.693,778 78.68,779 37.905,780 32.177,781 38.043,783 470.844,785 470.844,786 161.66,787 25.145,790 423.76,791 72.229,793 110.352,794 51.309,797 470.844,798 92.838,799 93.967,801 470.844,802 56.062,803 41.029,805 89.714,806 470.844,807 92.838,808 93.967,810 0.558,811 0.318,812 0.167,813 0.084,814 16,815 7,816 0.158,817 12,819 1,820 4.575,821 241.342,823 17,824 145.58,826 24.142,827 13.135,828 7.844,830 92.838,831 8.077,836 2.027,838 64.569,839 657.649,840 38,841 7.696,842 12.744,845 0.111,846 72.305,847 84.008,848 0.202,849 0.428,850 0.568,851 0.713,852 0.787,853 0.839,854 4.879,855 1.432,856 5.753,857 3.324,858 4.443,859 4.718,860 1.933,861 6.472,862 4.417,863 5.972,864 1.314,865 7.252,866 3.127,867 3.761,868 4.248,869 1.048,870 7.248,871 3.692,872 7.208,873 1.027,874 8.863,875 2.92,876 5.932,877 6.584,878 2.207,879 10.357,880 5.869,881 8.479,882 1,883 10.546,884 2.275,885 6.176,886 7.021,887 1.759,888 12.075,889 6.057,890 9.793,891 1,892 12.279,893 2.168,894 7.727,895 8.809,896 2.61,897 14.683,898 7.611,899 11.133,900 0.733,901 14.048,902 2.136,903 8.417,904 9.648,905 2.422,906 16.774,907 8.24,908 12.495,909 0.632,910 15.842,911 1.745,912 9.709,913 11.22,914 3.092,915 19.228,916 9.524,917 3.137,918 0.476,919 17.656,920 1.509,921 10.621,922 12.259,923 3.08,924 21.476,925 10.378,926 2.68,927 10.772,928 19.485,929 1.048,930 11.805,931 13.729,932 3.633,933 23.878,934 11.542,935 2.522,936 8.204,937 21.326,938 3.808,939 12.827,940 14.878,941 3.74,942 26.195,943 12.511,944 2.371,945 6.965,946 23.176,947 3.278,948 13.97,949 16.294,950 4.217,951 28.58,952 13.624,953 1.897,954 6.878,955 25.035,956 2.951,957 15.047,958 17.51,959 4.403,960 30.929,961 14.652,962 1.836,963 5.157,964 26.9,965 2.522,966 16.177,967 18.894,968 4.831,969 33.308,970 15.747,971 1.615,972 3.785,973 28.77,974 2.251,975 17.283,976 20.152,977 5.069,978 35.671,979 16.806,980 16285,981 21204,982 22.246,983 45.7,984 47.662,985 48.321,986 48.679,987 47.435,988 47.376,989 53.836,990 5.745,991 124.1,992 46.811,993 5.33,994 5.769,995 6.621,996 5.124,997 5.137,998 6.808,999 2.527,1000 18.048,1001 5.027,1002 13.312,1003 1.444,1004 1.464,1005 1.475,1006 1.437,1007 1.436,1008 1.631,1009 0.174,1010 3.761,1011 1.419,1012 4.004,1013 4.044,1014 3.934,1015 3.918,1016 7.428,1017 3.915,1018 3.903,1019 3.957,1020 3.761,1021 3.804,1022 5.874,1023 3.786,1024 3.839,1025 3.894,1026 3.739,1027 3.699,1028 4.793,1029 3.701,1030 3.741,1031 3.803,1032 3.581,1033 3.628,1034 4.702,1035 3.608,1036 3.565,1037 3.633,1038 3.396,1039 3.439,1040 4.308,1041 3.419,1042 3.371,1043 3.454,1044 3.249,1045 3.222,1046 4.207,1047 3.207,1048 3.337,1049 3.423,1050 3.172,1051 3.087,1052 4.16,1053 3.106,1054 3.188,1055 3.245,1056 3.039,1057 3.025,1058 3.976,1059 3.018,1060 0.131,1061 0.114,1062 0.203,1063 0.124,1064 0.095,1065 4.33,1066 0.115,1067 3.769,1068 0.042,1069 6.711,1070 0.326,1071 4.101,1072 0.092,1073 3.137,1074 3.808,1075 1.4,1076 10.772,1077 3.027,1078 1.947,1079 1.921,1080 2.136,1081 2.051,1082 1.54,1083 2.083,1084 1.913,1085 1.86,1086 2.083,1087 2.035,1088 1.414,1089 2.05,1090 1.772,1091 1.713,1092 2.002,1093 1.926,1094 1.279,1095 1.955,1096 1.641,1097 1.582,1098 1.866,1099 1.84,1100 1.216,1101 1.842,1102 1.601,1103 1.537,1104 1.862,1105 1.774,1106 1.135,1107 1.807,1108 1.511,1109 1.443,1110 1.723,1111 1.718,1112 1.013,1113 1.739,1114 1.371,1115 1.298,1116 1.662,1117 1.562,1118 0.942,1119 1.601,1120 1.174,1121 1.105,1122 1.513,1123 1.426,1124 0.825,1125 1.429,1126 4.205,1128 5.46,1129 2.398,1130 6.899,1131 4.595,1132 8.426,1133 6.605,1134 10.003,1138 5.662,1140 21.941,1143 0.82,1144 1.756,1148 41.315,1149 93.033,1150 196.779,1151 261.009,1152 327.812,1153 361.751,1154 385.725,1155 74.166,1156 7.241,1157 70.18,1158 70.18,1159 17,1160 12.258,1161 3.17,1162 2.585,1163 59.147,1164 186,1165 175,1166 0.148,1167 257.326,1168 456.27,1169 619.635,1170 16813,1172 21.891,1173 0.706,1174 0.626,1175 21.891,1176 19.418,1177 15.148,1178 0.459,1179 0.391,1180 12.829,1181 14.916,1182 12.578,1183 10.5,1184 15.148,1185 12.887,1186 12.699,1187 0.302,1188 0.234,1189 12.699,1190 9.826,1191 10.241,1192 0.197,1193 0.142,1194 10.241,1195 7.376,1196 8.076,1197 0.13,1198 0.088,1199 8.076,1200 5.435,1201 5.924,1202 0.087,1203 0.054,1204 5.924,1205 3.684,1206 0.251,1207 92.579,1208 0.212,1209 30.836,1210 0.36,1211 150,1212 291.026,1213 157.071,1214 291.534,1215 396.92,1216 272,1217 169,1218 287.777,1219 176.377,1220 294.833,1221 427.2,1222 279,1223 7.004} {0 CHEMBL1774585,1 1.303,2 16.071,3 4.848,4 23.503,5 115.565,6 5.545,8 4.287,9 4.443,10 3.569,11 3.748,12 5.114,13 3.665,14 4.929,15 5.156,16 3.836,17 4.171,18 5.67,19 4.027,20 5.282,21 5.579,22 3.841,23 4.31,24 5.961,25 4.114,26 5.283,27 5.588,28 3.793,29 4.233,30 6.03,31 4.043,32 5.182,33 5.484,34 3.62,35 4.136,36 6.025,37 3.93,38 5.097,39 5.414,40 3.457,41 4.067,42 5.73,43 3.838,44 5.017,45 5.335,46 3.405,47 4.019,48 5.605,49 3.786,50 4.985,51 5.306,52 3.359,53 3.972,54 5.574,55 3.738,56 0.096,57 0.963,58 18.317,59 7.181,60 9.276,61 10.533,62 0.308,63 1.524,64 32.566,65 12.01,66 25.428,67 17.853,68 0.435,69 1.806,70 43.065,71 14.761,72 36.15,73 22.473,74 0.461,75 1.687,76 42.893,77 13.576,78 44.993,79 21.114,80 0.543,81 1.517,82 38.859,83 12.494,84 78.614,85 19.214,86 0.345,87 1.4,88 34.464,89 11.975,90 34.978,91 18.201,92 0.268,93 1.334,94 31.675,95 11.39,96 25.741,97 17.297,98 0.265,99 1.276,100 30.572,101 10.878,102 25.563,103 16.575,104 11,105 35,106 0.21,107 0.366,108 0.555,109 0.726,110 0.815,111 0.863,112 3.372,113 1.23,114 -4.6,115 -4.52,116 -4.25,117 32.4,119 16,120 1,123 3,124 1,142 2,146 1,147 1,148 1,151 15,152 1,153 6,155 1,157 1,158 13,161 5,162 1,163 2,165 2,167 9,168 1,170 7,174 2,176 8,177 1,179 4,180 1,181 2,183 2,185 9,186 1,188 3,191 2,193 10,194 1,196 3,199 2,200 10,201 1,203 3,205 2,206 9,207 1,209 3,213 2,214 8,215 1,216 1432,217 19.106,218 19.106,219 19.106,220 19.106,221 19.106,222 18.794,223 14.602,224 12.282,225 19.368,226 14.362,227 14.362,228 14.362,229 14.362,230 14.362,231 13.812,232 13.525,233 5.906,234 14.761,235 4.847,236 3.88,237 2.701,238 1.643,239 1.088,240 0.789,241 4.044,245 1,246 930,247 4.416,250 101.948,251 121.724,256 2.638,257 23.695,259 1,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.86,267 59.5,268 450,269 4.186,270 3.79,271 6.608,272 4.025,273 3.073,274 3.327,275 1.945,276 10.417,277 2.922,278 3.596,279 3.167,280 5.45,281 3.509,282 2.522,283 2.762,284 1.357,285 6.965,286 2.491,287 3.522,288 2.658,289 5.34,290 3.286,291 2.293,292 2.522,293 0.86,294 6.572,295 2.27,296 2.947,297 2.199,298 4.268,299 2.924,300 1.933,301 1.946,302 0.56,303 3.996,304 1.915,305 2.879,306 2.155,307 3.935,308 2.738,309 1.773,310 1.865,312 3.814,313 1.71,314 2.736,315 1.893,316 3.777,317 2.603,318 1.638,319 1.728,321 3.472,322 1.573,323 2.544,324 1.646,325 3.635,326 2.507,327 1.518,328 1.54,330 3.154,331 1.497,332 2.362,333 1.449,334 3.517,335 2.322,336 1.342,337 1.355,339 2.786,340 1.309,341 2.052,342 1.228,343 3.346,344 2.007,345 1.05,346 1.051,347 2.273,348 1,349 2,350 1.142,351 3.283,352 2,353 1,354 1,355 2.136,356 0.997,357 1.893,358 1.007,359 3.247,360 1.763,361 0.794,362 0.825,363 1.786,364 0.764,365 1.849,366 1,367 3.054,368 1.682,369 0.728,370 0.775,371 1.739,372 0.692,373 1.615,374 0.855,375 2.726,376 1.505,377 0.519,378 0.545,379 1.097,380 0.507,381 1.206,382 0.49,383 2.4,384 1.124,385 0.135,386 0.139,387 0.281,388 0.132,389 0.802,390 0.107,391 2.069,392 0.723,393 -0.263,394 -0.271,395 -0.555,396 -0.256,397 13.367,398 0.477,399 0.404,400 0.014,401 19.5,402 0.696,403 3,404 0.107,405 16.5,406 0.589,407 35.682,408 1.274,409 35.233,410 0.496,411 10.16,412 0.363,413 2.43,414 0.087,415 11.252,416 0.402,417 0.085,419 0.18,420 0.862,421 1.543,422 1.155,423 1.437,424 0.754,425 1.336,426 0.917,427 1.391,428 1.198,429 1.377,430 0.532,431 1.33,432 0.957,433 1.024,434 1.021,435 1.068,436 0.877,437 1.053,438 1.369,439 0.993,440 0.995,441 0.959,442 1.311,443 0.945,444 1.384,445 0.937,446 1.101,447 0.972,448 1.354,449 1.009,450 1.071,451 0.905,452 0.989,453 0.937,454 1.066,455 0.958,456 0.751,457 0.974,458 0.955,459 1.007,460 0.724,461 1.004,462 0.768,463 0.952,464 0.937,465 0.98,466 0.744,467 0.978,468 3,469 0.074,470 2,471 0.993,472 0.971,473 0.281,474 0.198,475 0.147,476 0.113,477 0.09,478 12954,479 22316,480 1.996,481 60.6,482 24,483 7,486 3,487 2,488 7,490 1.696,491 1.909,492 3.926,493 0.847,497 92.506,498 1.303,499 2.27,500 3.449,501 4.507,502 5.062,503 5.361,504 3.339,505 4.164,506 4.783,507 4.173,508 1577.45,509 8.236,510 25267,513 436.632,514 1.136,515 4.758,516 0.103,517 0.004,518 0.057,519 0.03,520 0.031,521 0.011,522 0.009,523 0.007,524 0.006,525 0.005,526 0.264,527 0.17,528 0.88,529 0.689,530 150.443,531 -0.014,532 -0.051,533 0.029,534 -0.021,535 -0.016,536 0.007,537 0.05,538 -0.151,539 -0.108,540 -0.165,541 0.077,542 -0.159,543 0.015,544 -0.005,545 -0.023,546 -0.057,547 -0.006,548 -0.046,549 -0.062,550 -0.047,551 0.018,552 -0.009,553 -0.035,554 0.01,555 -0.026,556 0.017,557 -0.079,558 -0.019,559 0.093,560 -0.052,561 -0.08,562 0.025,563 -0.028,564 0.03,565 -0.067,566 0.008,567 -0.023,568 -0.014,569 -0.016,570 -0.013,571 -0.02,572 -0.014,573 -0.021,574 -0.004,575 -0.001,576 0.001,577 -0.02,578 0.002,579 1.523,580 5.283,581 0.393,582 34.867,583 0.981,584 1.144,585 3.367,586 11.334,587 0.594,588 3.401,589 3.584,590 3.738,591 3.871,592 3.85,593 3.664,594 3.555,595 3.555,596 3.466,597 3.434,598 9.713,599 0.536,600 393.69,601 3.401,602 4.86,603 5.638,604 6.441,605 7.239,606 8.051,607 8.861,608 9.68,609 10.497,610 11.322,611 4.2,612 1,617 1,619 1,638 71,639 2,641 29,642 72,643 23,648 2,649 2,655 8,656 1,657 17,659 2,660 21,661 1,662 2,663 1,664 1,667 2,670 43,671 5,672 3,673 5,677 3,679 1,681 1,682 2,689 1,692 1,693 1,701 1,704 1,709 1,710 2,715 28,716 1,718 19,720 1,721 2,722 1,731 2.8,734 1,735 1,737 14.667,738 11.783,739 6.583,740 5.196,741 0.131,742 1.02,743 0.908,744 11.969,745 6.723,746 3.466,747 3.689,748 3.85,749 4.007,750 4.043,751 3.807,752 3.664,753 3.738,754 3.555,755 3.526,756 1,757 33,758 10.522,759 4.264,760 7.5,761 21.361,762 17.768,763 2,764 56,768 470.844,769 58.876,770 67.693,772 36.145,774 58.876,775 506.989,776 67.693,778 87.864,780 43.177,781 31.672,783 470.844,785 470.844,786 126.569,787 36.145,790 388.446,791 107.543,792 11,793 119.536,794 7.033,797 470.844,798 103.838,799 58.876,801 470.844,802 58.876,803 3.124,805 100.714,806 470.844,807 103.838,808 58.876,810 0.545,811 0.302,812 0.159,813 0.077,814 11,815 5,816 0.194,817 14,819 1,820 4.354,821 194.888,823 11,824 130.606,826 23.512,827 14.253,828 9.532,830 103.838,838 64.569,839 633.558,840 31,841 7.599,842 12.283,845 0.33,846 69.632,847 81.218,848 0.212,849 0.369,850 0.561,851 0.733,852 0.823,853 0.872,854 4.663,855 1.342,856 5.533,857 3.154,858 4.263,859 4.369,860 2.501,861 6.196,862 4.209,863 5.69,864 1.05,865 6.995,866 2.786,867 3.434,868 3.761,869 1.912,870 6.887,871 3.336,872 6.881,873 1,874 8.573,875 2.273,876 5.687,877 5.938,878 3.222,879 10.009,880 5.571,881 8.104,882 0.794,883 10.233,884 2.136,885 5.832,886 6.312,887 3.287,888 11.728,889 5.646,890 9.375,891 0.728,892 11.95,893 1.786,894 7.43,895 7.858,896 4.264,897 14.323,898 7.23,899 10.676,900 0.519,901 13.71,902 1.739,903 8.069,904 8.687,905 4.631,906 16.424,907 7.787,908 12.002,909 0.135,910 15.5,911 1.097,912 9.381,913 9.996,914 5.456,915 18.856,916 9.078,917 3.073,918 -0.263,919 17.312,920 0.281,921 10.27,922 11.029,923 5.97,924 21.103,925 9.886,926 2.522,927 10.417,928 19.14,929 -0.555,930 11.459,931 12.253,932 6.719,933 23.48,934 11.043,935 2.293,936 6.965,937 20.981,938 3.327,939 12.47,940 13.375,941 7.306,942 25.784,943 11.979,944 1.933,945 6.572,946 22.83,947 2.762,948 13.611,949 14.572,950 8.016,951 28.14,952 13.078,953 1.773,954 3.996,955 24.687,956 2.522,957 14.678,958 15.734,959 8.64,960 30.467,961 14.078,962 1.638,963 3.814,964 26.55,965 1.946,966 15.802,967 16.925,968 9.329,969 32.816,970 15.154,971 1.518,972 3.472,973 28.418,974 1.865,975 16.896,976 18.105,977 9.973,978 35.152,979 16.186,980 12752,981 16899,982 19.356,983 42.154,984 40.842,985 41.648,986 41.612,987 40.665,988 40.637,989 42.761,990 9.444,991 100.978,992 39.556,993 5.186,994 5.79,995 6.553,996 5.06,997 5.073,998 5.327,999 3.354,1000 17.296,1001 4.922,1002 12.568,1003 1.408,1004 1.436,1005 1.435,1006 1.402,1007 1.401,1008 1.475,1009 0.326,1010 3.482,1011 1.364,1012 3.939,1013 3.997,1014 3.835,1015 3.796,1016 7.427,1017 3.789,1018 3.88,1019 3.935,1020 3.746,1021 3.744,1022 5.874,1023 3.741,1024 3.785,1025 3.85,1026 3.624,1027 3.662,1028 4.793,1029 3.646,1030 3.656,1031 3.719,1032 3.496,1033 3.518,1034 4.59,1035 3.502,1036 3.489,1037 3.548,1038 3.34,1039 3.312,1040 4.237,1041 3.305,1042 3.352,1043 3.447,1044 3.213,1045 3.14,1046 4.207,1047 3.134,1048 3.315,1049 3.385,1050 3.141,1051 3.085,1052 4.162,1053 3.101,1054 3.178,1055 3.253,1056 2.984,1057 2.998,1058 3.967,1059 2.985,1060 0.144,1061 0.131,1062 0.228,1063 0.139,1064 0.106,1065 4.186,1066 0.115,1067 3.79,1068 0.067,1069 6.608,1070 0.359,1071 4.025,1072 0.101,1073 3.073,1074 3.327,1075 1.945,1076 10.417,1077 2.922,1078 1.888,1079 1.836,1080 2.111,1081 2.035,1082 1.507,1083 2.063,1084 1.819,1085 1.76,1086 2.062,1087 1.978,1088 1.426,1089 2.008,1090 1.708,1091 1.651,1092 1.946,1093 1.902,1094 1.288,1095 1.912,1096 1.632,1097 1.57,1098 1.865,1099 1.824,1100 1.216,1101 1.837,1102 1.552,1103 1.488,1104 1.79,1105 1.761,1106 1.09,1107 1.782,1108 1.428,1109 1.357,1110 1.692,1111 1.655,1112 0.976,1113 1.678,1114 1.307,1115 1.237,1116 1.608,1117 1.536,1118 0.936,1119 1.561,1120 1.176,1121 1.098,1122 1.513,1123 1.431,1124 0.825,1125 1.451,1126 4.078,1128 5.293,1129 2.398,1130 6.681,1131 4.595,1132 8.157,1133 6.605,1134 9.687,1138 5.603,1140 21.811,1142 5.863,1143 0.693,1144 1.818,1148 38.03,1149 92.506,1150 161.152,1151 244.896,1152 319.964,1153 359.413,1154 380.632,1155 81.31,1156 6.592,1157 79.41,1158 79.41,1159 11,1160 11.902,1161 1.585,1162 1.585,1163 63.006,1164 168,1165 138,1166 0.173,1167 239.128,1168 427.04,1169 575.233,1170 7559,1172 20.029,1173 0.715,1174 0.64,1175 20.029,1176 17.931,1177 13.682,1178 0.472,1179 0.41,1180 11.795,1181 13.303,1182 11.591,1183 9.661,1184 13.682,1185 11.893,1186 11.097,1187 0.317,1188 0.253,1189 11.097,1190 8.858,1191 8.459,1192 0.206,1193 0.157,1194 8.459,1195 6.44,1196 6.555,1197 0.139,1198 0.1,1199 6.555,1200 4.677,1201 4.539,1202 0.099,1203 0.066,1204 4.539,1205 3.029,1206 0.298,1207 84.781,1208 0.227,1209 28.648,1210 0.413,1211 128,1212 278.761,1213 137.95,1214 265.318,1215 348.68,1216 248,1217 140,1218 237.414,1219 149.868,1220 238.498,1221 343.04,1222 225,1223 6.886} {0 CHEMBL1774586,1 1.386,2 15.457,3 5.687,4 32.342,5 139.605,6 6.71,7 0.436,8 4.322,9 4.46,10 3.803,11 3.888,12 5.322,13 3.839,14 4.895,15 5.082,16 4.165,17 4.327,18 5.828,19 4.24,20 5.227,21 5.476,22 4.196,23 4.47,24 6.098,25 4.341,26 5.271,27 5.536,28 4.174,29 4.424,30 6.21,31 4.301,32 5.197,33 5.46,34 4.067,35 4.376,36 6.194,37 4.24,38 5.087,39 5.346,40 3.975,41 4.325,42 5.936,43 4.176,44 5.02,45 5.278,46 3.93,47 4.253,48 5.941,49 4.106,50 4.947,51 5.209,52 3.847,53 4.154,54 5.809,55 4.014,56 0.079,57 1.038,58 16.05,59 6.57,60 12.002,61 9.358,62 0.246,63 1.727,64 29.342,65 11.836,66 27.216,67 16.97,68 0.328,69 2.184,70 42.276,71 15.905,72 45.021,73 23.295,74 0.407,75 2.191,76 45.214,77 15.416,78 61.615,79 22.892,80 0.506,81 2.032,82 42.011,83 14.62,84 93.224,85 21.585,86 0.241,87 1.842,88 36.695,89 14.427,90 43.363,91 20.968,92 0.38,93 1.76,94 34.481,95 13.08,96 52.792,97 19.247,98 0.226,99 1.615,100 32.076,101 11.817,102 37.738,103 17.519,104 11,105 54,106 0.217,107 0.547,108 0.707,109 0.835,110 0.864,111 0.864,112 3.588,113 0.999,114 -6,115 -5.85,116 -5.44,117 41.4,119 9,120 1,123 1,124 1,130 8,131 4,134 1,137 1,142 2,144 1,146 1,147 1,148 1,151 22,152 1,153 6,154 1,155 1,156 1,157 1,158 24,161 8,162 1,163 2,165 5,167 18,168 1,170 10,174 6,176 13,177 1,179 5,180 1,181 2,183 5,185 18,186 1,188 1,191 6,193 22,194 2,195 2,196 1,197 2,199 5,200 21,201 2,203 2,205 3,206 15,207 1,209 6,213 4,214 10,216 2389,217 23.999,218 23.999,219 23.999,220 23.999,221 23.999,222 21.834,223 13.384,224 14.214,225 24.238,226 19.254,227 19.254,228 19.254,229 19.254,230 19.254,231 15.89,232 11.678,233 6.735,234 19.648,235 4.743,236 2.631,237 1.605,238 0.787,239 0.6,240 0.6,241 4.295,245 1,246 1187,247 3.536,250 217.831,251 376.101,256 2.699,257 27.52,259 0.75,260 0.67,261 1,262 0.8,263 0.5,264 1,265 1,266 0.82,267 73.5,268 541,269 4.404,270 3.769,271 6.711,272 4.106,273 3.141,274 4.088,275 1.4,276 10.773,277 3.034,278 4.307,279 3.174,280 6.3,281 3.974,282 3.007,283 3.814,284 1.149,285 9.62,286 2.912,287 4.091,288 3.021,289 6.035,290 3.744,291 2.754,292 3.549,293 0.322,294 8.697,295 2.718,296 3.872,297 2.799,298 5.913,299 3.566,300 2.575,301 3.193,303 8.085,304 2.551,305 3.67,306 2.564,307 5.404,308 3.502,309 2.508,310 2.978,312 7.123,313 2.487,314 3.49,315 2.402,316 5.236,317 3.272,318 2.279,319 2.551,321 6.645,322 2.261,323 3.272,324 2.225,325 4.974,326 2.866,327 1.913,328 2.456,330 5.339,331 1.819,332 3.045,333 2.022,334 4.554,335 2.647,336 1.674,337 2.183,339 4.604,340 1.624,341 2.752,342 1.647,343 4.054,344 2.491,345 1.494,346 1.829,347 3.324,348 1.488,349 2.621,350 1.481,351 3.85,352 2.348,353 1.349,354 1.596,355 3.126,356 1.343,357 2.5,358 1.26,359 3.633,360 2.2,361 1.209,362 1.5,363 2.894,364 1.196,365 2.496,366 1.143,367 3.478,368 2,369 1,370 1.496,371 2.436,372 1,373 2.378,374 1.007,375 3.414,376 2,377 1,378 1.312,379 2.275,380 1,381 2.159,382 1,383 3.332,384 1.906,385 0.931,386 1,387 2.136,388 0.906,389 2,390 1,391 3.282,392 1.686,393 0.732,394 0.993,395 1.745,396 0.696,397 16.833,398 0.481,399 0.763,400 0.022,401 41,402 1.171,403 19,404 0.543,405 22,406 0.629,407 34.614,408 0.989,409 37.767,410 0.54,411 31.172,412 0.891,413 7.242,414 0.207,415 9.838,416 0.281,417 0.067,419 0.321,420 0.863,421 1.209,422 0.906,423 1.041,424 0.75,425 0.982,426 0.623,427 1.173,428 0.961,429 1.136,430 0.465,431 1.09,432 0.808,433 1.052,434 0.965,435 1.066,436 0.754,437 1.035,438 1.359,439 1.019,440 0.969,441 0.944,442 1.363,443 0.926,444 1.284,445 0.882,446 1.033,447 0.896,448 1.327,449 0.937,450 0.755,451 1.015,452 0.929,453 1.023,454 0.765,455 1.003,456 0.572,457 0.97,458 0.98,459 1.041,460 0.648,461 1.047,462 0.866,463 1.073,464 0.952,465 1.032,466 0.848,467 1.004,468 6,469 0.193,470 4,471 1.618,472 1.866,473 1.067,474 0.497,475 0.444,476 0.324,477 0.2,478 21567,479 42938,480 2.141,481 50,482 15,483 11,484 1,486 4,488 4,490 1.762,491 2.039,492 3.894,493 1.435,497 97.034,498 1.386,499 3.499,500 4.524,501 5.342,502 5.529,503 5.529,504 3.361,505 4.844,506 5.098,507 4.102,508 2440.83,509 8.92,510 40468,513 429.05,514 1.271,515 5.076,516 0.154,517 0.006,518 0.074,519 0.031,520 0.037,521 0.023,522 0.012,523 0.011,524 0.009,525 0.006,526 0.361,528 0.63,529 0.597,530 193.775,531 -0.055,532 0.011,533 0.045,534 0.057,535 -0.042,536 0.061,537 0.164,538 -0.049,539 -0.006,540 -0.072,541 0.126,542 -0.061,543 0.061,544 -0.041,545 0.007,546 -0.059,547 0.058,548 -0.034,549 -0.071,550 -0.039,551 0.042,552 0.021,553 -0.033,554 0.04,555 -0.029,556 0.104,557 -0.026,558 0.076,559 0.047,560 0.033,561 -0.001,562 -0.053,563 0.031,564 0.004,565 -0.004,566 0.016,567 0.206,568 0.032,569 -0.013,570 -0.036,571 0.078,572 -0.045,573 -0.005,574 -0.088,575 0.023,576 -0.034,577 -0.044,578 -0.008,579 1.737,580 5.935,581 0.8,582 47.437,583 0.987,584 1.128,585 4.766,586 22.718,587 0.656,588 3.689,589 4.007,590 4.29,591 4.533,592 4.691,593 4.754,594 4.875,595 5.011,596 5.182,597 5.298,598 9.026,599 0.61,600 469.69,601 3.689,602 5.231,603 6.084,604 6.956,605 7.822,606 8.696,607 9.568,608 10.445,609 11.319,610 12.198,611 7.1,612 1,617 1,618 1,619 1,620 1,623 9,624 1,625 1,628 6,630 17,632 1,638 70,639 19,640 2,641 39,642 74,643 29,644 15,645 4,646 8,647 1,648 5,649 5,655 8,656 1,657 10,659 17,660 12,661 1,662 2,663 1,664 1,667 2,670 35,671 5,672 4,673 6,676 1,677 5,679 1,681 1,682 1,689 1,692 2,693 3,704 1,710 5,715 35,716 1,718 10,721 2,722 1,731 1.4,734 1,737 17.167,738 12.067,739 7.667,740 4.657,741 3.431,742 1.406,743 1.003,744 7.338,745 11.875,746 3.922,747 4.457,748 5,749 5.53,750 5.99,751 6.316,752 6.76,753 7.14,754 7.573,755 7.954,756 1,757 53,758 13.032,759 5.633,760 7.571,761 25.7,762 22.123,763 2.071,764 72.5,768 364.904,769 134.633,770 101.265,772 25.145,774 134.633,775 390.049,776 101.265,778 60.938,779 84.857,780 51.291,781 63.957,782 11.771,783 353.133,785 364.904,786 235.898,787 25.145,790 317.82,791 72.229,793 114.48,794 104.632,795 16.786,797 364.904,798 126.409,799 134.633,801 364.904,802 49.776,803 87.982,804 16.786,805 106.5,806 364.904,807 126.409,808 134.633,810 0.58,811 0.343,812 0.184,813 0.093,814 26,815 11,816 0.095,817 7,819 1,820 4.749,821 324.984,823 28,824 171.525,826 23.815,827 10.785,828 5.512,830 109.624,831 18.225,832 4.834,833 3.298,836 5.775,838 81.355,839 625.947,840 49.5,841 7.752,842 12.935,845 -0.006,846 69.09,847 78.929,848 0.226,849 0.571,850 0.738,851 0.872,852 0.902,853 0.902,854 5.166,855 1.674,856 6.057,857 5.339,858 4.691,859 5.145,860 1.933,861 6.853,862 4.651,863 6.337,864 1.494,865 7.606,866 4.604,867 4.205,868 4.82,869 1.048,870 7.727,871 4.133,872 7.624,873 1.349,874 9.257,875 3.324,876 6.271,877 7.226,878 2.207,879 10.822,880 6.186,881 8.944,882 1.209,883 10.969,884 3.126,885 6.648,886 7.759,887 1.759,888 12.544,889 6.521,890 10.299,891 1,892 12.721,893 2.894,894 8.138,895 9.61,896 2.61,897 15.137,898 7.999,899 11.677,900 1,901 14.499,902 2.436,903 8.899,904 10.535,905 2.422,906 17.199,907 8.715,908 13.071,909 0.931,910 16.297,911 2.275,912 10.16,913 12.151,914 3.092,915 19.628,916 9.959,917 3.141,918 0.732,919 18.109,920 2.136,921 11.103,922 13.277,923 3.08,924 21.841,925 10.857,926 3.007,927 10.773,928 19.933,929 1.745,930 12.271,931 14.78,932 3.633,933 24.213,934 12.001,935 2.754,936 9.62,937 21.765,938 4.088,939 13.302,940 16.017,941 3.74,942 26.498,943 12.989,944 2.575,945 8.697,946 23.604,947 3.814,948 14.434,949 17.462,950 4.217,951 28.854,952 14.092,953 2.508,954 8.085,955 25.449,956 3.549,957 15.508,958 18.763,959 4.403,960 31.174,961 15.125,962 2.279,963 7.123,964 27.3,965 3.193,966 16.628,967 20.179,968 4.831,969 33.528,970 16.212,971 1.913,972 6.645,973 29.155,974 2.978,975 17.725,976 21.516,977 5.069,978 35.868,979 17.27,980 20016,981 28540,982 26.641,983 45.904,984 59.274,985 59.693,986 59.828,987 58.746,988 58.752,989 73.285,990 5.745,991 166.469,992 57.584,993 5.404,994 5.769,995 6.513,996 5.144,997 5.141,998 7.088,999 2.527,1000 18.053,1001 5.034,1002 14.295,1003 1.52,1004 1.531,1005 1.534,1006 1.506,1007 1.506,1008 1.879,1009 0.147,1010 4.268,1011 1.477,1012 4.076,1013 4.116,1014 4.029,1015 3.982,1016 7.428,1017 3.987,1018 3.939,1019 3.978,1020 3.874,1021 3.865,1022 5.874,1023 3.861,1024 3.892,1025 3.951,1026 3.786,1027 3.77,1028 5.016,1029 3.76,1030 3.82,1031 3.867,1032 3.71,1033 3.696,1034 4.792,1035 3.698,1036 3.673,1037 3.724,1038 3.597,1039 3.524,1040 4.692,1041 3.539,1042 3.384,1043 3.456,1044 3.238,1045 3.253,1046 4.578,1047 3.235,1048 3.348,1049 3.446,1050 3.204,1051 3.088,1052 4.275,1053 3.11,1054 3.159,1055 3.206,1056 3.081,1057 2.987,1058 4.204,1059 3.005,1060 0.113,1061 0.097,1062 0.172,1063 0.105,1064 0.081,1065 4.404,1066 0.105,1067 3.769,1068 0.036,1069 6.711,1070 0.276,1071 4.106,1072 0.078,1073 3.141,1074 4.088,1075 1.4,1076 10.773,1077 3.034,1078 1.964,1079 1.934,1080 2.137,1081 2.063,1082 1.532,1083 2.09,1084 1.926,1085 1.903,1086 2.029,1087 2.02,1088 1.231,1089 2.019,1090 1.867,1091 1.821,1092 2.016,1093 1.976,1094 1.216,1095 1.996,1096 1.638,1097 1.578,1098 1.865,1099 1.839,1100 1.132,1101 1.838,1102 1.528,1103 1.464,1104 1.718,1105 1.748,1106 0.992,1107 1.756,1108 1.47,1109 1.411,1110 1.714,1111 1.652,1112 0.967,1113 1.669,1114 1.357,1115 1.288,1116 1.544,1117 1.589,1118 0.825,1119 1.592,1120 1.24,1121 1.194,1122 1.513,1123 1.442,1124 0.681,1125 1.429,1126 4.369,1128 5.687,1129 3.045,1130 7.191,1131 5.283,1132 8.774,1133 7.298,1134 10.398,1138 5.692,1140 11.681,1143 0.603,1144 1.712,1148 42.724,1149 97.034,1150 244.903,1151 316.685,1152 373.93,1153 387.05,1154 387.05,1155 64.932,1156 8.444,1157 98.86,1158 98.86,1159 28,1160 12.736,1161 4.322,1162 3.524,1163 52.593,1164 191,1165 187,1166 0.132,1167 260.675,1168 453.15,1169 627.807,1170 68220,1172 24.2,1173 0.691,1174 0.58,1175 24.2,1176 20.302,1177 17.081,1178 0.438,1179 0.333,1180 12.892,1181 16.724,1182 12.644,1183 10.47,1184 17.081,1185 12.983,1186 15.244,1187 0.282,1188 0.186,1189 15.244,1190 10.067,1191 13.095,1192 0.182,1193 0.106,1194 13.095,1195 7.645,1196 10.869,1197 0.118,1198 0.061,1199 10.869,1200 5.62,1201 8.272,1202 0.077,1203 0.035,1204 8.272,1205 3.769,1206 0.215,1207 105.038,1208 0.194,1209 33.002,1210 0.34,1211 186,1212 419.004,1213 196.901,1214 420.699,1215 586.68,1216 394,1217 219,1218 442.566,1219 230.734,1220 453.19,1221 664.45,1222 429,1223 5.699} {0 CHEMBL1774587,1 1.415,2 15.457,3 5.697,4 32.457,5 137.359,6 6.821,7 0.436,8 4.312,9 4.44,10 3.808,11 3.876,12 5.328,13 3.833,14 4.886,15 5.064,16 4.17,17 4.31,18 5.839,19 4.231,20 5.209,21 5.452,22 4.199,23 4.451,24 6.095,25 4.329,26 5.262,27 5.519,28 4.18,29 4.4,30 6.219,31 4.287,32 5.173,33 5.424,34 4.071,35 4.343,36 6.192,37 4.221,38 5.051,39 5.298,40 3.979,41 4.294,42 5.928,43 4.158,44 5.003,45 5.249,46 3.938,47 4.227,48 5.961,49 4.089,50 4.91,51 5.158,52 3.852,53 4.124,54 5.786,55 3.996,56 0.064,57 0.992,58 15.563,59 6.657,60 11.907,61 9.153,62 0.269,63 1.657,64 28.854,65 11.799,66 29.072,67 16.522,68 0.313,69 2.123,70 41.428,71 15.822,72 45.997,73 22.771,74 0.429,75 2.125,76 45.045,77 15.499,78 65.81,79 22.392,80 0.542,81 1.936,82 41.252,83 14.479,84 96.061,85 20.672,86 0.243,87 1.755,88 35.425,89 14.079,90 43.802,91 20.006,92 0.482,93 1.682,94 34.102,95 12.972,96 60.056,97 18.635,98 0.212,99 1.53,100 30.865,101 11.718,102 35.852,103 16.849,104 11,105 54,106 0.222,107 0.545,108 0.702,109 0.832,110 0.862,111 0.862,112 3.588,113 0.991,114 -6,115 -5.85,116 -5.44,117 42,119 9,120 1,123 1,124 1,130 8,131 4,134 1,137 1,142 2,144 1,146 1,147 1,148 1,151 22,152 2,153 7,155 1,157 1,158 24,161 11,162 1,163 2,165 2,167 18,168 1,170 14,174 2,176 13,177 1,179 8,180 1,181 2,183 2,185 18,186 1,188 3,191 4,193 22,194 2,195 4,196 2,199 4,200 21,201 2,203 3,205 2,206 15,207 1,209 10,214 10,216 2389,217 23.999,218 23.999,219 23.999,220 23.999,221 23.999,222 21.834,223 13.384,224 14.214,225 24.181,226 19.254,227 19.254,228 19.254,229 19.254,230 19.254,231 15.89,232 11.678,233 6.735,234 19.555,235 4.694,236 2.629,237 1.628,238 0.799,239 0.609,240 0.609,241 4.295,245 1,246 1187,247 3.536,250 217.831,251 376.101,256 2.699,257 29.976,259 0.75,260 0.67,261 1,262 0.8,263 0.5,264 1,265 1,266 0.82,267 74,268 541,269 4.404,270 3.769,271 6.711,272 4.106,273 3.141,274 4.088,275 1.4,276 10.773,277 3.038,278 4.307,279 3.174,280 6.3,281 3.984,282 3.007,283 3.814,284 1.149,285 9.62,286 2.937,287 4.091,288 3.021,289 6.035,290 3.747,291 2.754,292 3.549,293 0.322,294 8.697,295 2.73,296 3.872,297 2.799,298 5.913,299 3.569,300 2.575,301 3.193,303 8.085,304 2.555,305 3.67,306 2.564,307 5.404,308 3.504,309 2.508,310 2.978,312 7.123,313 2.495,314 3.49,315 2.402,316 5.236,317 3.273,318 2.279,319 2.551,321 6.645,322 2.264,323 3.272,324 2.225,325 4.974,326 2.872,327 1.913,328 2.456,330 5.339,331 1.834,332 3.045,333 2.022,334 4.554,335 2.657,336 1.674,337 2.183,339 4.604,340 1.639,341 2.752,342 1.647,343 4.054,344 2.493,345 1.494,346 1.829,347 3.324,348 1.492,349 2.621,350 1.481,351 3.85,352 2.35,353 1.349,354 1.596,355 3.126,356 1.346,357 2.5,358 1.26,359 3.633,360 2.207,361 1.209,362 1.5,363 2.894,364 1.205,365 2.496,366 1.143,367 3.478,368 2,369 1,370 1.496,371 2.436,372 1,373 2.378,374 1.007,375 3.414,376 2,377 1,378 1.312,379 2.275,380 1,381 2.159,382 1,383 3.332,384 1.917,385 0.931,386 1,387 2.136,388 0.916,389 2,390 1,391 3.282,392 1.686,393 0.732,394 0.993,395 1.745,396 0.696,397 16.767,398 0.479,399 0.763,400 0.022,401 41,402 1.171,403 19,404 0.543,405 22,406 0.629,407 34.448,408 0.984,409 37.833,410 0.548,411 31.338,412 0.895,413 7.276,414 0.208,415 9.805,416 0.28,417 0.068,419 0.322,420 0.82,421 1.197,422 0.876,423 1.066,424 0.737,425 0.986,426 0.674,427 1.159,428 0.944,429 1.123,430 0.478,431 1.075,432 0.736,433 1.046,434 0.942,435 1.069,436 0.734,437 1.031,438 1.308,439 0.987,440 0.955,441 0.932,442 1.346,443 0.908,444 1.339,445 0.851,446 1.034,447 0.878,448 1.355,449 0.919,450 0.793,451 1.01,452 0.93,453 1.032,454 0.787,455 1.008,456 0.664,457 0.96,458 0.973,459 1.017,460 0.655,461 1.03,462 0.859,463 1.084,464 0.94,465 1.064,466 0.764,467 1.02,468 6,469 0.193,470 4,471 1.618,472 1.866,473 1.067,474 0.497,475 0.444,476 0.324,477 0.2,478 21567,479 44168,480 2.141,481 49.3,482 15,483 11,484 1,486 3,488 4,490 1.762,491 2.039,492 3.894,493 0.735,497 97.633,498 1.415,499 3.48,500 4.48,501 5.31,502 5.5,503 5.5,504 3.361,505 4.844,506 5.098,507 4.102,508 2440.83,509 8.92,510 40468,513 421.488,514 1.271,515 5.076,516 0.154,517 0.006,518 0.074,519 0.031,520 0.037,521 0.023,522 0.012,523 0.011,524 0.009,525 0.006,526 0.361,527 0.17,528 0.63,529 0.597,530 193.775,531 -0.033,532 -0.001,533 0.051,534 0.032,535 -0.031,536 0.05,537 0.156,538 -0.051,539 0.001,540 -0.065,541 0.132,542 -0.055,543 0.061,544 -0.032,545 0.022,546 -0.065,547 0.067,548 -0.03,549 -0.067,550 -0.012,551 0.059,552 0.03,553 -0.028,554 0.057,555 -0.054,556 0.126,557 -0.021,558 0.094,559 0.035,560 0.048,561 -0.005,562 -0.045,563 0.028,564 -0.007,565 -0.009,566 0.01,567 0.237,568 0.028,569 -0.001,570 -0.013,571 0.105,572 -0.031,573 0.008,574 -0.102,575 0.031,576 -0.059,577 -0.037,578 -0.018,579 1.757,580 5.919,581 0.8,582 47.437,583 0.99,584 1.125,585 4.766,586 22.718,587 0.657,588 3.689,589 4.007,590 4.29,591 4.533,592 4.691,593 4.754,594 4.875,595 5.011,596 5.182,597 5.298,598 9.026,599 0.615,600 470.67,601 3.689,602 5.231,603 6.084,604 6.956,605 7.822,606 8.696,607 9.568,608 10.445,609 11.319,610 12.198,611 5.8,612 1,617 1,619 1,620 1,623 9,624 1,626 1,628 6,630 17,632 1,638 69,639 19,640 2,641 39,642 73,643 29,644 15,645 4,646 8,647 1,648 5,649 5,655 8,656 1,657 10,659 17,660 12,661 1,662 2,663 1,664 1,667 2,670 34,671 6,672 3,673 6,677 4,679 1,681 1,682 2,686 1,689 1,692 2,693 3,704 1,710 5,715 35,716 1,718 10,721 2,722 1,731 2.9,734 1,736 1,737 17.167,738 11.983,739 7.667,740 4.608,741 3.431,742 1.406,743 0.995,744 7.338,745 11.875,746 3.922,747 4.457,748 5,749 5.53,750 5.99,751 6.316,752 6.76,753 7.14,754 7.573,755 7.954,756 1,757 53,758 13.033,759 5.64,760 7.6,761 25.602,762 21.978,763 2.1,764 73.5,768 364.904,769 140.018,770 84.479,772 34.652,774 140.018,775 399.556,776 84.479,778 60.938,779 87.549,780 53.983,781 56.678,782 11.771,783 353.133,785 364.904,786 224.497,787 34.652,790 317.82,791 81.737,793 100.387,794 107.324,795 16.786,797 364.904,798 119.131,799 140.018,801 364.904,802 52.468,803 90.674,805 116.007,806 364.904,807 119.131,808 140.018,810 0.58,811 0.343,812 0.184,813 0.093,814 26,815 11,816 0.096,817 7,819 1,820 4.749,821 324.984,823 28,824 171.525,826 23.815,827 10.785,828 5.512,830 119.131,831 17.641,832 4.722,834 5.798,836 5.184,838 64.569,839 624.053,840 49.5,841 7.744,842 12.919,845 -0.037,846 68.316,847 77.64,848 0.232,849 0.57,850 0.733,851 0.869,852 0.9,853 0.9,854 5.166,855 1.674,856 6.057,857 5.339,858 4.691,859 5.145,860 1.933,861 6.853,862 4.66,863 6.337,864 1.494,865 7.606,866 4.604,867 4.205,868 4.82,869 1.048,870 7.727,871 4.142,872 7.624,873 1.349,874 9.257,875 3.324,876 6.271,877 7.226,878 2.207,879 10.822,880 6.202,881 8.944,882 1.209,883 10.969,884 3.126,885 6.648,886 7.759,887 1.759,888 12.544,889 6.54,890 10.299,891 1,892 12.721,893 2.894,894 8.138,895 9.61,896 2.61,897 15.137,898 8.023,899 11.677,900 1,901 14.499,902 2.436,903 8.899,904 10.535,905 2.422,906 17.199,907 8.742,908 13.071,909 0.931,910 16.297,911 2.275,912 10.16,913 12.151,914 3.092,915 19.628,916 9.99,917 3.141,918 0.732,919 18.109,920 2.136,921 11.103,922 13.277,923 3.08,924 21.841,925 10.892,926 3.007,927 10.773,928 19.933,929 1.745,930 12.271,931 14.78,932 3.633,933 24.213,934 12.04,935 2.754,936 9.62,937 21.765,938 4.088,939 13.302,940 16.017,941 3.74,942 26.498,943 13.032,944 2.575,945 8.697,946 23.604,947 3.814,948 14.434,949 17.462,950 4.217,951 28.854,952 14.138,953 2.508,954 8.085,955 25.449,956 3.549,957 15.508,958 18.763,959 4.403,960 31.174,961 15.175,962 2.279,963 7.123,964 27.3,965 3.193,966 16.628,967 20.179,968 4.831,969 33.528,970 16.265,971 1.913,972 6.645,973 29.155,974 2.978,975 17.725,976 21.516,977 5.069,978 35.868,979 17.326,980 20016,981 28968,982 26.641,983 45.353,984 59.274,985 59.693,986 59.828,987 58.778,988 58.752,989 73.285,990 5.745,991 166.469,992 57.871,993 5.404,994 5.769,995 6.513,996 5.143,997 5.141,998 7.088,999 2.527,1000 18.053,1001 5.038,1002 14.295,1003 1.52,1004 1.531,1005 1.534,1006 1.507,1007 1.506,1008 1.879,1009 0.147,1010 4.268,1011 1.484,1012 4.063,1013 4.089,1014 4.019,1015 3.969,1016 7.428,1017 3.975,1018 3.939,1019 3.978,1020 3.874,1021 3.864,1022 5.874,1023 3.861,1024 3.885,1025 3.935,1026 3.781,1027 3.767,1028 5.173,1029 3.756,1030 3.819,1031 3.864,1032 3.709,1033 3.693,1034 4.793,1035 3.696,1036 3.645,1037 3.671,1038 3.582,1039 3.475,1040 4.699,1041 3.501,1042 3.381,1043 3.452,1044 3.238,1045 3.246,1046 4.62,1047 3.23,1048 3.347,1049 3.442,1050 3.202,1051 3.088,1052 4.276,1053 3.109,1054 3.158,1055 3.206,1056 3.08,1057 2.987,1058 4.204,1059 3.004,1060 0.113,1061 0.097,1062 0.172,1063 0.105,1064 0.081,1065 4.404,1066 0.105,1067 3.769,1068 0.036,1069 6.711,1070 0.276,1071 4.106,1072 0.078,1073 3.141,1074 4.088,1075 1.4,1076 10.773,1077 3.038,1078 1.964,1079 1.934,1080 2.137,1081 2.063,1082 1.532,1083 2.09,1084 1.92,1085 1.9,1086 2.029,1087 2.014,1088 1.23,1089 2.013,1090 1.866,1091 1.82,1092 2.009,1093 1.974,1094 1.216,1095 1.993,1096 1.637,1097 1.577,1098 1.865,1099 1.836,1100 1.125,1101 1.837,1102 1.521,1103 1.458,1104 1.715,1105 1.739,1106 0.99,1107 1.749,1108 1.459,1109 1.403,1110 1.711,1111 1.624,1112 0.964,1113 1.656,1114 1.266,1115 1.232,1116 1.513,1117 1.505,1118 0.825,1119 1.462,1120 1.212,1121 1.184,1122 1.431,1123 1.437,1124 0.671,1125 1.429,1126 4.369,1128 5.687,1129 3.045,1130 7.191,1131 5.283,1132 8.774,1133 7.298,1134 10.398,1138 5.683,1140 11.569,1143 0.578,1144 1.696,1148 42.417,1149 97.633,1150 240.096,1151 309.124,1152 366.369,1153 379.488,1154 379.488,1155 66.175,1156 8.444,1157 96.21,1158 96.21,1159 28,1160 12.736,1161 4.322,1162 3.524,1163 52.593,1164 191,1165 187,1166 0.132,1167 257.877,1168 450.94,1169 620.98,1170 68220,1172 24.2,1173 0.691,1174 0.577,1175 24.2,1176 20.21,1177 17.081,1178 0.438,1179 0.33,1180 12.781,1181 16.666,1182 12.541,1183 10.379,1184 17.081,1185 12.885,1186 15.244,1187 0.282,1188 0.185,1189 15.244,1190 9.97,1191 13.095,1192 0.182,1193 0.105,1194 13.095,1195 7.544,1196 10.869,1197 0.118,1198 0.06,1199 10.869,1200 5.526,1201 8.272,1202 0.077,1203 0.034,1204 8.272,1205 3.708,1206 0.215,1207 105.492,1208 0.194,1209 33.002,1210 0.34,1211 186,1212 448.406,1213 198.779,1214 442.019,1215 613.2,1216 414,1217 219,1218 460.958,1219 232.75,1220 469.097,1221 688.53,1222 443,1223 7.328} {0 CHEMBL1774588,1 1.444,2 15.457,3 6.255,4 39.129,5 143.803,6 7.054,7 0.436,8 4.305,9 4.433,10 3.866,11 3.925,12 5.298,13 3.854,14 4.879,15 5.056,16 4.235,17 4.357,18 5.803,19 4.251,20 5.204,21 5.448,22 4.258,23 4.492,24 6.073,25 4.347,26 5.254,27 5.512,28 4.262,29 4.468,30 6.185,31 4.316,32 5.163,33 5.414,34 4.144,35 4.411,36 6.16,37 4.248,38 5.045,39 5.292,40 4.054,41 4.348,42 5.9,43 4.182,44 4.992,45 5.238,46 4.031,47 4.282,48 5.901,49 4.115,50 4.901,51 5.149,52 3.938,53 4.194,54 5.754,55 4.026,56 0.071,57 0.997,58 15.949,59 6.897,60 11.099,61 9.326,62 0.228,63 1.697,64 30.582,65 12.347,66 25.392,67 16.921,68 0.315,69 2.181,70 42.802,71 16.721,72 43,73 23.259,74 0.393,75 2.234,76 48.625,77 17.361,78 58.934,79 23.45,80 0.48,81 2.045,82 45.592,83 16.392,84 89.615,85 21.854,86 0.224,87 1.817,88 37.676,89 15.205,90 40.98,91 20.697,92 0.321,93 1.77,94 38.313,95 14.235,96 47.098,97 19.409,98 0.186,99 1.605,100 33.771,101 13.092,102 32.633,103 17.714,104 11,105 54,106 0.226,107 0.545,108 0.702,109 0.832,110 0.862,111 0.862,112 3.588,113 1.059,114 -5.96,115 -5.81,116 -5.41,117 42,119 9,120 1,123 1,124 1,130 8,131 4,134 1,137 1,142 2,144 1,146 1,147 1,148 1,151 22,152 1,153 7,155 1,157 1,158 25,161 8,162 1,163 2,165 2,167 21,168 1,170 10,174 2,176 17,177 1,179 5,180 1,181 2,183 2,185 21,186 1,188 1,191 4,193 24,194 2,195 2,196 3,199 4,200 22,201 2,203 2,205 2,206 16,207 1,209 6,214 14,216 2389,217 23.999,218 23.999,219 23.999,220 23.999,221 23.999,222 21.834,223 13.384,224 14.214,225 24.361,226 19.254,227 19.254,228 19.254,229 19.254,230 19.254,231 15.89,232 11.678,233 6.735,234 19.854,235 4.665,236 2.629,237 1.628,238 0.799,239 0.609,240 0.609,241 4.295,245 1,246 1187,247 3.536,250 217.831,251 376.101,256 2.699,257 26.528,259 0.75,260 0.67,261 1,262 0.8,263 0.5,264 1,265 1,266 0.82,267 73,268 541,269 4.404,270 3.769,271 6.711,272 4.105,273 3.141,274 4.088,275 1.4,276 10.773,277 3.03,278 4.307,279 3.174,280 6.3,281 3.957,282 3.007,283 3.814,284 1.149,285 9.62,286 2.877,287 4.091,288 3.021,289 6.035,290 3.737,291 2.754,292 3.549,293 0.322,294 8.697,295 2.694,296 3.872,297 2.799,298 5.913,299 3.563,300 2.575,301 3.193,303 8.085,304 2.545,305 3.67,306 2.564,307 5.404,308 3.497,309 2.508,310 2.978,312 7.123,313 2.464,314 3.49,315 2.402,316 5.236,317 3.27,318 2.279,319 2.551,321 6.645,322 2.256,323 3.272,324 2.225,325 4.974,326 2.856,327 1.913,328 2.456,330 5.339,331 1.796,332 3.045,333 2.022,334 4.554,335 2.63,336 1.674,337 2.183,339 4.604,340 1.593,341 2.752,342 1.647,343 4.054,344 2.487,345 1.494,346 1.829,347 3.324,348 1.477,349 2.621,350 1.481,351 3.85,352 2.345,353 1.349,354 1.596,355 3.126,356 1.338,357 2.5,358 1.26,359 3.633,360 2.188,361 1.209,362 1.5,363 2.894,364 1.175,365 2.496,366 1.143,367 3.478,368 2,369 1,370 1.496,371 2.436,372 1,373 2.378,374 1.007,375 3.414,376 2,377 1,378 1.312,379 2.275,380 1,381 2.159,382 1,383 3.332,384 1.886,385 0.931,386 1,387 2.136,388 0.879,389 2,390 1,391 3.282,392 1.686,393 0.732,394 0.993,395 1.745,396 0.696,397 17.267,398 0.493,399 0.763,400 0.022,401 40.5,402 1.157,403 19,404 0.543,405 21.5,406 0.614,407 36.198,408 1.034,409 37.333,410 0.541,411 29.588,412 0.845,413 6.907,414 0.197,415 10.173,416 0.291,417 0.066,419 0.313,420 0.8,421 1.108,422 0.833,423 0.942,424 0.739,425 0.946,426 0.615,427 1.155,428 0.928,429 1.081,430 0.46,431 1.058,432 0.81,433 0.979,434 0.835,435 0.938,436 0.755,437 0.992,438 1.381,439 0.951,440 0.957,441 0.902,442 1.37,443 0.898,444 1.292,445 0.867,446 1.112,447 0.948,448 1.34,449 0.94,450 0.77,451 0.962,452 0.893,453 0.957,454 0.783,455 0.985,456 0.568,457 1.036,458 1.037,459 1.12,460 0.664,461 1.052,462 0.711,463 1.056,464 0.987,465 1.05,466 0.715,467 1.016,468 6,469 0.193,470 4,471 1.618,472 1.866,473 1.067,474 0.497,475 0.444,476 0.324,477 0.2,478 21567,479 44168,480 2.141,481 49.3,482 15,483 11,484 1,486 3,488 4,490 1.762,491 2.039,492 3.894,493 0.735,497 99.633,498 1.444,499 3.48,500 4.48,501 5.31,502 5.5,503 5.5,504 3.361,505 4.844,506 5.098,507 4.102,508 2440.83,509 8.92,510 40468,513 421.488,514 1.271,515 5.076,516 0.154,517 0.006,518 0.074,519 0.031,520 0.037,521 0.023,522 0.012,523 0.011,524 0.009,525 0.006,526 0.361,527 0.17,528 0.63,529 0.597,530 193.775,531 -0.039,532 0.043,533 0.063,534 0.081,535 -0.04,536 0.067,537 0.159,538 -0.073,539 0.015,540 -0.06,541 0.125,542 -0.05,543 0.07,544 0.012,545 0.047,546 0.001,547 0.059,548 -0.009,549 -0.07,550 0.033,551 0.065,552 0.078,553 -0.033,554 0.071,555 -0.018,556 0.127,557 -0.037,558 0.074,559 0.058,560 0.041,561 -0.01,562 -0.008,563 0.046,564 0.042,565 -0.01,566 0.027,567 0.176,568 -0.037,569 0.007,570 -0.076,571 0.059,572 -0.042,573 0.029,574 -0.068,575 0.034,576 -0.019,577 -0.019,578 -0.007,579 1.723,580 5.946,581 0.8,582 47.437,583 0.986,584 1.121,585 4.726,586 22.338,587 0.675,588 3.689,589 4.007,590 4.29,591 4.533,592 4.691,593 4.754,594 4.875,595 5.011,596 5.182,597 5.298,598 9.026,599 0.622,600 486.74,601 3.689,602 5.231,603 6.084,604 6.956,605 7.822,606 8.696,607 9.568,608 10.445,609 11.319,610 12.198,611 5.8,612 1,617 1,619 1,620 1,623 9,624 1,627 1,628 6,630 17,632 1,638 69,639 19,640 2,641 39,642 73,643 29,644 15,645 4,646 8,647 1,648 5,649 5,655 8,656 1,657 10,659 17,660 12,661 1,662 2,663 1,664 1,667 2,670 34,671 5,672 3,673 6,674 1,677 4,679 1,681 1,682 1,689 1,692 2,693 3,704 1,710 5,711 1,715 35,716 1,718 10,721 2,722 1,726 1,731 1.4,734 1,737 17.167,738 11.983,739 7.667,740 4.608,741 3.431,742 1.406,743 1.001,744 7.626,745 11.875,746 3.922,747 4.457,748 5,749 5.53,750 5.99,751 6.316,752 6.76,753 7.14,754 7.573,755 7.954,756 1,757 53,758 13.043,759 5.636,760 7.552,761 25.806,762 22.281,763 2.052,764 71.833,768 364.904,769 163.114,770 84.479,772 25.145,773 31.278,774 131.837,775 390.049,776 84.479,778 60.938,779 83.459,780 49.893,781 47.171,782 11.771,783 384.411,785 364.904,786 216.316,787 25.145,788 31.278,790 317.82,791 72.229,793 96.296,794 103.234,795 16.786,796 31.278,797 364.904,798 109.624,799 163.114,801 364.904,802 79.655,803 86.583,805 106.5,806 364.904,807 109.624,808 163.114,810 0.58,811 0.343,812 0.184,813 0.093,814 26,815 11,816 0.096,817 7,819 1,820 4.749,821 324.984,823 28,824 171.525,825 1,826 24.187,827 11.036,828 5.667,830 109.624,831 18.613,832 4.908,835 1.632,836 6.168,838 64.569,839 637.643,840 49.5,841 7.758,842 12.946,845 0.014,846 68.065,847 77.351,848 0.236,849 0.57,850 0.733,851 0.869,852 0.9,853 0.9,854 5.166,855 1.674,856 6.057,857 5.339,858 4.691,859 5.145,860 1.933,861 6.853,862 4.634,863 6.337,864 1.494,865 7.606,866 4.604,867 4.205,868 4.82,869 1.048,870 7.727,871 4.116,872 7.624,873 1.349,874 9.257,875 3.324,876 6.271,877 7.226,878 2.207,879 10.822,880 6.158,881 8.944,882 1.209,883 10.969,884 3.126,885 6.648,886 7.759,887 1.759,888 12.544,889 6.488,890 10.299,891 1,892 12.721,893 2.894,894 8.138,895 9.61,896 2.61,897 15.137,898 7.961,899 11.677,900 1,901 14.499,902 2.436,903 8.899,904 10.535,905 2.422,906 17.199,907 8.67,908 13.071,909 0.931,910 16.297,911 2.275,912 10.16,913 12.151,914 3.092,915 19.628,916 9.91,917 3.141,918 0.732,919 18.109,920 2.136,921 11.103,922 13.277,923 3.08,924 21.841,925 10.802,926 3.007,927 10.773,928 19.933,929 1.745,930 12.271,931 14.78,932 3.633,933 24.213,934 11.943,935 2.754,936 9.62,937 21.765,938 4.088,939 13.302,940 16.017,941 3.74,942 26.498,943 12.925,944 2.575,945 8.697,946 23.604,947 3.814,948 14.434,949 17.462,950 4.217,951 28.854,952 14.024,953 2.508,954 8.085,955 25.449,956 3.549,957 15.508,958 18.763,959 4.403,960 31.174,961 15.052,962 2.279,963 7.123,964 27.3,965 3.193,966 16.628,967 20.179,968 4.831,969 33.528,970 16.136,971 1.913,972 6.645,973 29.155,974 2.978,975 17.725,976 21.516,977 5.069,978 35.868,979 17.19,980 20016,981 28968,982 26.641,983 46.546,984 59.274,985 59.693,986 59.828,987 58.696,988 58.752,989 73.285,990 5.745,991 166.469,992 56.985,993 5.404,994 5.769,995 6.513,996 5.203,997 5.141,998 7.088,999 2.527,1000 18.053,1001 5.03,1002 14.295,1003 1.52,1004 1.531,1005 1.534,1006 1.505,1007 1.506,1008 1.879,1009 0.147,1010 4.268,1011 1.461,1012 4.054,1013 4.081,1014 4.252,1015 4.017,1016 7.428,1017 3.991,1018 3.939,1019 3.978,1020 3.881,1021 3.867,1022 5.874,1023 3.861,1024 3.879,1025 3.928,1026 3.849,1027 3.781,1028 4.92,1029 3.762,1030 3.818,1031 3.863,1032 3.71,1033 3.706,1034 4.792,1035 3.699,1036 3.622,1037 3.647,1038 3.678,1039 3.596,1040 4.688,1041 3.545,1042 3.378,1043 3.451,1044 3.238,1045 3.261,1046 4.524,1047 3.235,1048 3.347,1049 3.439,1050 3.218,1051 3.088,1052 4.274,1053 3.11,1054 3.157,1055 3.206,1056 3.088,1057 2.987,1058 4.204,1059 3.005,1060 0.113,1061 0.097,1062 0.172,1063 0.105,1064 0.081,1065 4.404,1066 0.105,1067 3.769,1068 0.036,1069 6.711,1070 0.276,1071 4.105,1072 0.078,1073 3.141,1074 4.088,1075 1.4,1076 10.773,1077 3.03,1078 1.964,1079 1.934,1080 2.137,1081 2.063,1082 1.532,1083 2.09,1084 1.922,1085 1.903,1086 2.029,1087 2.006,1088 1.231,1089 2.011,1090 1.867,1091 1.82,1092 2.004,1093 1.971,1094 1.216,1095 1.99,1096 1.637,1097 1.578,1098 1.865,1099 1.833,1100 1.133,1101 1.836,1102 1.522,1103 1.462,1104 1.714,1105 1.734,1106 0.992,1107 1.747,1108 1.461,1109 1.409,1110 1.709,1111 1.618,1112 0.968,1113 1.654,1114 1.286,1115 1.27,1116 1.513,1117 1.447,1118 0.825,1119 1.429,1120 1.228,1121 1.192,1122 1.408,1123 1.39,1124 0.68,1125 1.425,1126 4.369,1128 5.687,1129 3.045,1130 7.191,1131 5.283,1132 8.774,1133 7.298,1134 10.398,1138 5.697,1140 11.756,1143 0.62,1144 1.722,1148 42.889,1149 99.633,1150 240.096,1151 309.124,1152 366.369,1153 379.488,1154 379.488,1155 65.002,1156 8.444,1157 83.07,1158 111.31,1159 28,1160 12.736,1161 4.322,1162 3.524,1163 52.593,1164 191,1165 187,1166 0.132,1167 265.012,1168 460.66,1169 638.389,1170 68220,1172 24.2,1173 0.691,1174 0.601,1175 24.554,1176 21.027,1177 17.081,1178 0.438,1179 0.353,1180 12.888,1181 16.338,1182 12.541,1183 10.379,1184 17.535,1185 13.764,1186 15.244,1187 0.282,1188 0.201,1189 15.795,1190 10.828,1191 13.095,1192 0.182,1193 0.117,1194 13.799,1195 8.436,1196 10.869,1197 0.118,1198 0.069,1199 11.661,1200 6.361,1201 8.272,1202 0.077,1203 0.039,1204 8.867,1205 4.252,1206 0.215,1207 109.125,1208 0.194,1209 33.002,1210 0.34,1211 186,1212 419.531,1213 217.964,1214 442.019,1215 613.2,1216 414,1217 219,1218 442.994,1219 249.03,1220 469.097,1221 688.53,1222 443,1223 6.959} {0 CHEMBL1927562,1 1.065,2 12.727,3 6.606,4 43.641,5 97.599,6 5.291,7 0.261,8 4.051,9 4.208,10 3.307,11 3.595,12 4.809,13 3.486,14 4.674,15 4.909,16 3.557,17 4.012,18 5.305,19 3.846,20 5.014,21 5.309,22 3.595,23 4.179,24 5.564,25 3.964,26 5.046,27 5.354,28 3.459,29 4.154,30 5.592,31 3.909,32 4.995,33 5.323,34 3.319,35 4.047,36 5.509,37 3.785,38 4.802,39 5.128,40 3.199,41 3.87,42 5.322,43 3.62,44 4.6,45 4.904,46 3.132,47 3.732,48 5.17,49 3.508,50 4.551,51 4.849,52 3.039,53 3.693,54 5.124,55 3.46,56 0.069,57 0.761,58 14.424,59 6.212,60 7.76,61 8.98,62 0.123,63 1.259,64 24.509,65 10.405,66 11.462,67 15.116,68 0.156,69 1.585,70 31.548,71 13.465,72 15.642,73 19.523,74 0.154,75 1.582,76 31.721,77 13.672,78 17.19,79 19.751,80 0.133,81 1.44,82 29.083,83 12.766,84 16.231,85 18.323,86 0.113,87 1.2,88 24.174,89 10.501,90 13.876,91 15.132,92 0.103,93 1.025,94 20.497,95 8.665,96 12.658,97 12.61,98 0.094,99 0.978,100 19.541,101 8.42,102 11.742,103 12.167,104 15,105 28,106 0.18,107 0.397,108 0.611,109 0.766,110 0.819,111 0.831,112 3.144,113 1.251,114 -7.07,115 -6.87,116 -6.36,117 36.8,118 1,119 11,120 1,122 1,124 1,130 4,131 2,151 19,156 2,158 23,165 2,167 23,174 1,176 19,183 1,185 16,191 2,193 13,199 2,200 12,205 1,206 11,213 1,214 10,216 668,217 15.345,218 15.345,219 15.345,220 15.345,221 15.345,222 14.646,223 14.813,224 9.71,225 15.428,226 11.28,227 11.28,228 11.28,229 11.28,230 11.28,231 10.223,232 14.412,233 4.543,234 11.37,235 4.768,236 3.481,237 2.21,238 1.29,239 0.974,240 0.904,241 3.815,245 1,246 573,247 3.162,251 162.633,256 2.207,257 5.74,259 0.75,260 0.83,261 0.67,262 0.8,263 0.5,264 0.83,265 1,266 0.77,267 44.5,268 280,269 4.144,270 3.099,271 6.149,272 3.888,273 2.89,274 3.692,275 0.4,276 9.079,277 2.886,278 3.71,279 2.688,280 5.353,281 3.501,282 2.511,283 2.949,285 6.986,286 2.488,287 3.417,288 2.53,289 5.269,290 3.296,291 2.314,292 2.465,294 6.695,295 2.268,296 2.86,297 1.848,298 4.346,299 2.846,300 1.846,301 1.863,303 4.15,304 1.845,305 2.688,306 1.602,307 3.838,308 2.538,309 1.544,310 1.707,312 3.63,313 1.534,314 2.5,315 1.384,316 3.424,317 2.363,318 1.366,319 1.5,321 2.712,322 1.361,323 2.427,324 1,325 3.414,326 2,327 1,328 1.425,330 2.275,331 1,332 2,333 1,334 3.414,335 2,336 1,337 1,339 2.275,340 1,341 1.876,342 0.884,343 2.935,344 1.831,345 0.832,346 0.858,347 1.529,348 0.831,349 1.536,350 0.743,351 2.759,352 1.452,353 0.512,354 0.52,355 0.798,356 0.48,357 1.269,358 0.298,359 2.385,360 1.19,361 0.194,362 0.203,363 0.339,364 0.193,365 0.893,366 -0.119,367 2.153,368 0.735,369 -0.257,370 -0.28,371 -0.483,372 -0.255,373 0.5,374 -0.425,375 2,376 0.42,377 -0.567,378 -0.584,379 -1.06,380 -0.558,381 0.471,382 -0.782,383 2,384 0.162,385 -0.83,386 -0.911,387 -1.629,388 -0.822,389 0.307,390 -1,391 1.576,393 -1,394 -1,395 -2.516,396 -1,397 10.9,398 0.495,399 0.256,400 0.012,401 18,402 0.818,403 6,404 0.273,405 12,406 0.545,407 24.944,408 1.134,409 26.3,410 0.461,411 8.354,412 0.38,413 2.417,414 0.11,415 8.413,416 0.382,417 0.092,419 0.183,420 1.254,421 1.34,422 1.244,423 1.283,424 1.214,425 1.267,426 1.384,427 1.224,428 1.24,429 1.218,430 1.069,431 1.222,432 1.06,433 1.022,434 1.032,435 1.024,436 0.935,437 1.027,438 1.011,439 1.034,440 1.068,441 1.06,442 1.169,443 1.065,444 0.668,445 0.932,446 0.92,447 0.952,448 1.035,449 0.946,450 0.639,451 0.957,452 0.893,453 0.947,454 0.888,455 0.933,456 1.012,457 1.035,458 1.005,459 1.017,460 1.005,461 1.012,462 0.998,463 1.088,464 1.095,465 1.102,466 1.195,467 1.102,468 3,469 0.058,470 1.778,471 0.5,472 0.524,473 0.514,474 0.302,475 0.106,476 0.123,477 0.087,478 5595,479 7426,480 2.022,481 61.4,482 22,483 8,486 1,488 4,490 1.634,491 1.941,492 3.623,493 -0.489,497 60.711,498 1.065,499 2.352,500 3.623,501 4.543,502 4.859,503 4.929,504 3.14,505 3.482,506 4.418,507 3.767,508 870.166,509 7.545,510 10404.1,513 332.475,514 1.096,515 4.414,516 0.13,517 0.005,518 0.063,519 0.018,520 0.023,521 0.026,522 0.017,523 0.006,524 0.008,525 0.007,526 0.303,527 0.5,528 0.88,529 2.048,530 105.678,531 0.028,532 0.001,533 0.03,534 0.018,535 0.05,536 0.023,537 -0.121,538 -0.051,539 -0.102,540 -0.078,541 -0.034,542 -0.087,543 -0.034,544 0.006,545 -0.013,546 -0.003,547 0.023,548 -0.007,549 -0.085,550 -0.042,551 -0.079,552 -0.063,553 -0.129,554 -0.07,555 0.029,556 0.003,557 0.02,558 0.012,559 -0.065,560 0.015,561 0.094,562 -0.013,563 0.055,564 0.022,565 0.057,566 0.034,567 0.014,568 -0.031,569 -0.004,570 -0.017,571 0.063,572 -0.012,573 -0.071,574 -0.076,575 -0.091,576 -0.086,577 -0.101,578 -0.089,579 0.58,580 0.926,581 0.545,582 25.372,583 0.967,584 1.133,585 5.842,586 34.133,587 0.613,588 3.178,589 3.367,590 3.555,591 3.689,592 3.892,593 3.912,594 3.97,595 3.912,596 3.97,597 4.007,598 7.126,599 0.543,600 301.57,601 3.178,602 4.635,603 5.425,604 6.232,605 7.045,606 7.866,607 8.69,608 9.52,609 10.351,610 11.186,611 1.8,613 1,623 4,628 2,630 6,638 57,639 6,640 1,641 23,642 58,643 21,644 6,645 2,646 4,648 2,649 2,652 1,655 5,656 1,657 12,659 6,660 15,661 1,670 35,671 1,672 1,673 1,677 1,681 1,693 2,705 1,710 2,712 2,715 22,718 11,719 1,721 2,737 11.333,738 10.25,739 5.278,740 4.264,741 1.143,742 1.177,743 0.923,744 8.01,745 7.584,746 3.296,747 3.651,748 4.047,749 4.435,750 4.9,751 4.954,752 5.15,753 5.217,754 5.36,755 5.481,756 0.889,757 28,758 8.231,759 3.251,760 7.182,761 17.138,762 14.228,763 1.682,764 37,765 0.004,768 400.217,769 89.378,770 18.011,774 89.378,775 400.217,776 18.011,777 17.222,778 27.88,779 55.916,781 6.371,783 400.217,785 400.217,786 107.388,790 353.133,791 47.084,793 54.716,794 52.673,797 400.217,798 18.011,799 89.378,801 400.217,802 34.251,803 55.127,804 18.011,806 400.217,807 18.011,808 89.378,810 0.54,811 0.305,812 0.152,813 0.082,814 10,815 4,816 0.155,817 9,819 1,820 3.653,821 147.955,823 12,824 90.107,826 17.534,827 10.05,828 6.076,830 18.011,831 9.56,836 3.101,838 18.011,839 507.606,840 26,846 55.123,847 64.557,848 0.183,849 0.403,850 0.621,851 0.779,852 0.833,853 0.845,854 4.472,855 1,856 5.323,857 2.275,858 4.043,859 4.331,860 0.278,861 5.989,862 4.029,863 5.538,864 0.832,865 6.786,866 2.275,867 3.219,868 3.689,870 6.629,871 3.195,872 6.75,873 0.512,874 8.351,875 1.529,876 5.485,877 6.205,878 0.05,879 9.665,880 5.46,881 7.997,882 0.194,883 9.981,884 0.798,885 5.565,886 6.473,888 11.201,889 5.527,890 9.284,891 -0.257,892 11.654,893 0.339,894 7.188,895 8.425,896 0.008,897 13.694,898 7.154,899 10.597,900 -0.567,901 13.358,902 -0.483,903 7.721,904 9.121,906 15.595,907 7.679,908 11.931,909 -0.83,910 15.083,911 -1.06,912 9.042,913 10.816,914 0.001,915 17.9,916 9.003,917 2.89,918 -1,919 16.824,920 -1.629,921 9.816,922 11.741,924 19.963,925 9.772,926 2.511,927 9.079,928 18.577,929 -2.516,930 10.99,931 13.296,933 22.199,934 10.949,935 2.314,936 6.986,937 20.339,938 3.692,939 11.894,940 14.355,942 24.337,943 11.85,944 1.846,945 6.695,946 22.109,947 2.949,948 12.999,949 15.825,951 26.549,952 12.957,953 1.544,954 4.15,955 23.885,956 2.465,957 13.972,958 16.97,960 28.722,961 13.928,962 1.366,963 3.63,964 25.666,965 1.863,966 15.045,967 18.385,969 30.927,970 15.002,971 1,972 2.712,973 27.452,974 1.707,975 16.055,976 19.584,978 33.117,979 16.012,980 5683,981 6610,982 15.485,983 34.95,984 31.984,985 32.086,986 33.104,987 31.998,988 32.015,989 36.362,990 0.8,991 80.935,992 31.77,993 5.144,994 5.099,995 6.113,996 4.888,997 4.89,998 6.692,999 0.8,1000 15.163,1001 4.886,1002 9.123,1003 1.391,1004 1.395,1005 1.439,1006 1.391,1007 1.392,1008 1.581,1009 0.035,1010 3.519,1011 1.381,1012 4.011,1013 4.05,1014 3.926,1015 3.947,1016 4.732,1017 3.938,1018 3.811,1019 3.87,1020 3.68,1021 3.701,1022 4.389,1023 3.687,1024 3.744,1025 3.806,1026 3.584,1027 3.629,1028 4.214,1029 3.61,1030 3.533,1031 3.608,1032 3.349,1033 3.397,1034 4.06,1035 3.375,1036 3.361,1037 3.456,1038 3.175,1039 3.168,1040 3.97,1041 3.158,1042 3.214,1043 3.308,1044 2.983,1045 3.026,1046 3.713,1047 3.004,1048 3.111,1049 3.206,1050 2.866,1051 2.941,1052 3.674,1053 2.91,1054 2.983,1055 3.075,1056 2.748,1057 2.811,1058 3.474,1059 2.783,1060 0.18,1061 0.135,1062 0.267,1063 0.169,1064 0.126,1065 4.144,1066 0.161,1067 3.099,1068 0.017,1069 6.149,1070 0.395,1071 3.888,1072 0.125,1073 2.89,1074 3.692,1075 0.4,1076 9.079,1077 2.886,1078 1.994,1079 1.963,1080 2.144,1081 2.089,1082 1.509,1083 2.11,1084 1.827,1085 1.772,1086 2.057,1087 1.973,1088 1.408,1089 2.004,1090 1.755,1091 1.696,1092 1.977,1093 1.903,1094 1.241,1095 1.932,1096 1.562,1097 1.492,1098 1.839,1099 1.741,1100 1.074,1101 1.779,1102 1.354,1103 1.269,1104 1.671,1105 1.607,1106 0.893,1107 1.636,1108 1.246,1109 1.152,1110 1.596,1111 1.47,1112 0.825,1113 1.519,1114 1.153,1115 1.064,1116 1.513,1117 1.376,1118 0.751,1119 1.429,1120 1.023,1121 0.934,1122 1.376,1123 1.24,1124 0.594,1125 1.292,1126 3.85,1128 5.069,1130 6.491,1132 8.006,1134 9.573,1135 4.384,1140 14.977,1141 3.426,1143 1.552,1148 30.977,1149 60.711,1150 134.049,1151 206.526,1152 258.965,1153 276.965,1154 280.965,1155 37.487,1156 6.441,1157 12.03,1158 12.03,1159 12,1160 11.757,1161 2.807,1162 2,1163 42.799,1164 95,1165 104,1166 0.225,1167 195.435,1168 339.32,1169 468.621,1170 4945,1172 15.623,1173 0.71,1174 0.67,1175 15.623,1176 14.742,1177 10.83,1178 0.471,1179 0.417,1180 9.566,1181 10.745,1182 9.268,1183 7.839,1184 10.83,1185 9.592,1186 8.526,1187 0.305,1188 0.253,1189 8.526,1190 7.097,1191 6.993,1192 0.206,1193 0.159,1194 6.993,1195 5.406,1196 5.23,1197 0.134,1198 0.097,1199 5.23,1200 3.781,1201 4.095,1202 0.085,1203 0.057,1204 4.095,1205 2.726,1206 0.369,1207 65.538,1208 0.254,1209 22.738,1210 0.57,1211 102,1212 150.333,1213 103.388,1214 155.321,1215 219.3,1216 148,1217 113,1218 161.127,1219 114.332,1220 168.742,1221 241.2,1222 160,1223 4} {0 CHEMBL1927579,1 1.163,2 14.042,3 6.067,4 36.805,5 103.891,6 5.436,7 0.24,8 4.126,9 4.278,10 3.395,11 3.649,12 4.931,13 3.551,14 4.744,15 4.969,16 3.64,17 4.064,18 5.433,19 3.906,20 5.094,21 5.391,22 3.676,23 4.227,24 5.702,25 4.018,26 5.104,27 5.408,28 3.567,29 4.21,30 5.67,31 3.978,32 5.07,33 5.384,34 3.496,35 4.14,36 5.642,37 3.901,38 4.965,39 5.278,40 3.382,41 4.001,42 5.584,43 3.767,44 4.79,45 5.098,46 3.262,47 3.85,48 5.416,49 3.629,50 4.66,51 4.958,52 3.197,53 3.785,54 5.266,55 3.567,56 0.083,57 0.81,58 15.502,59 6.596,60 8.203,61 9.425,62 0.155,63 1.333,64 26.57,65 10.949,66 14.558,67 15.882,68 0.272,69 1.676,70 34.798,71 13.995,72 26.004,73 20.525,74 0.199,75 1.658,76 34.393,77 14.242,78 20.329,79 20.744,80 0.185,81 1.551,82 32.729,83 13.697,84 21.245,85 19.794,86 0.199,87 1.365,88 29.597,89 11.899,90 23.897,91 17.262,92 0.178,93 1.167,94 25.09,95 9.905,96 20.268,97 14.484,98 0.129,99 1.065,100 22.167,101 9.181,102 15.474,103 13.324,104 21,105 30,106 0.193,107 0.427,108 0.644,109 0.787,110 0.836,111 0.847,112 3.226,113 1.231,114 -6.41,115 -6.24,116 -5.79,117 36.1,118 1,119 11,120 1,123 2,124 1,130 4,131 2,151 19,156 2,158 23,164 1,165 2,167 23,174 1,176 19,183 3,185 16,191 4,193 13,199 3,200 12,205 2,206 11,213 3,214 10,216 952,217 16.759,218 16.759,219 16.759,220 16.759,221 16.759,222 16.06,223 15.704,224 10.84,225 16.867,226 12.318,227 12.318,228 12.318,229 12.318,230 12.318,231 11.261,232 15.82,233 5.132,234 12.501,235 4.768,236 3.357,237 2.052,238 1.193,239 0.898,240 0.832,241 3.9,245 1,246 685,247 3.464,251 181.693,256 2.465,257 11.183,259 0.75,260 0.67,261 0.67,262 0.9,263 1,264 0.67,265 0.5,266 0.74,267 49.5,268 337,269 4.144,270 3.099,271 6.15,272 3.889,273 2.891,274 3.692,275 0.4,276 9.08,277 2.886,278 3.712,279 2.696,280 5.363,281 3.508,282 2.521,283 2.95,285 7.033,286 2.492,287 3.44,288 2.565,289 5.287,290 3.313,291 2.332,292 2.487,294 6.791,295 2.284,296 2.862,297 1.855,298 4.354,299 2.846,300 1.847,301 1.866,303 4.194,304 1.846,305 2.726,306 1.802,307 3.838,308 2.576,309 1.595,310 1.746,312 3.632,313 1.564,314 2.5,315 1.557,316 3.447,317 2.404,318 1.424,319 1.5,321 2.728,322 1.394,323 2.445,324 1.375,325 3.414,326 2.277,327 1.307,328 1.444,330 2.587,331 1.258,332 2.367,333 1,334 3.414,335 2,336 1,337 1.364,339 2.275,340 1,341 2,342 1,343 3.406,344 2,345 1,346 1,347 2.275,348 1,349 1.873,350 0.882,351 2.912,352 1.827,353 0.827,354 0.854,355 1.523,356 0.827,357 1.387,358 0.771,359 2.612,360 1.278,361 0.352,362 0.358,363 0.603,364 0.32,365 1.247,366 0.312,367 2.335,368 1.161,369 0.186,370 0.194,371 0.324,372 0.182,373 0.898,374 -0.064,375 2.146,376 0.739,377 -0.24,378 -0.258,379 -0.454,380 -0.234,381 0.532,382 -0.343,383 2,384 0.457,385 -0.513,386 -0.531,387 -0.97,388 -0.496,389 0.5,390 -0.7,391 2,392 0.194,393 -0.792,394 -0.865,395 -1.533,396 -0.78,397 11.733,398 0.489,399 0.256,400 0.011,401 19.25,402 0.802,403 6,404 0.25,405 13.25,406 0.552,407 27.733,408 1.156,409 29.067,410 0.477,411 9.596,412 0.4,413 2.69,414 0.112,415 9.14,416 0.381,417 0.071,419 0.17,420 1.077,421 1.336,422 1.21,423 1.28,424 1.039,425 1.256,426 1.018,427 1.303,428 1.242,429 1.272,430 0.877,431 1.269,432 0.759,433 0.979,434 1.006,435 0.984,436 0.638,437 1.003,438 0.647,439 1.019,440 1.02,441 1.044,442 0.584,443 1.05,444 0.582,445 0.992,446 0.93,447 1.013,448 0.658,449 0.996,450 1.013,451 0.985,452 0.953,453 0.98,454 1.162,455 0.97,456 1.151,457 0.955,458 0.982,459 0.943,460 1.217,461 0.953,462 0.703,463 1.029,464 0.999,465 1.043,466 0.693,467 1.038,468 3,469 0.078,470 1.778,471 0.5,472 0.524,473 0.542,474 0.362,475 0.134,476 0.123,477 0.097,478 7205,479 11312,480 2.02,481 60.7,482 22,483 9,486 2,488 4,490 1.659,491 1.946,492 3.76,493 0.132,497 70.918,498 1.163,499 2.573,500 3.878,501 4.738,502 5.033,503 5.099,504 3.272,505 3.824,506 4.541,507 3.908,508 1078.58,509 7.796,510 14002.2,513 361.775,514 1.041,515 4.543,516 0.12,517 0.006,518 0.059,519 0.017,520 0.02,521 0.023,522 0.017,523 0.007,524 0.007,525 0.006,526 0.281,527 0.5,528 0.75,529 2.15,530 119.49,531 -0.046,532 0.025,533 0.016,534 0.04,535 -0.054,536 0.032,537 -0.088,538 -0.11,539 -0.134,540 -0.113,541 -0.055,542 -0.125,543 0.051,544 0.054,545 -0.009,546 0.025,547 0.035,548 0.007,549 -0.032,550 -0.011,551 -0.054,552 -0.037,553 -0.043,554 -0.044,555 0.036,556 -0.028,557 0.014,558 -0.021,559 -0.003,560 -0.007,562 -0.039,563 0.012,564 -0.01,565 -0.036,566 -0.001,567 -0.051,568 0.014,569 0.002,570 0.028,571 -0.073,572 0.018,573 -0.009,574 -0.019,575 -0.022,576 -0.025,577 -0.012,578 -0.024,579 1.25,580 2.906,581 0.5,582 32.417,583 0.973,584 1.134,585 5.18,586 26.836,587 0.609,588 3.258,589 3.434,590 3.611,591 3.761,592 3.97,593 3.989,594 4.078,595 4.094,596 4.143,597 4.143,598 7.787,599 0.545,600 331.6,601 3.258,602 4.71,603 5.493,604 6.297,605 7.106,606 7.925,607 8.747,608 9.575,609 10.406,610 11.241,611 1.6,613 1,623 4,628 2,630 6,638 61,639 6,640 1,641 25,642 62,643 22,644 6,645 2,646 4,648 2,649 2,652 2,655 5,656 1,657 12,659 6,660 16,661 1,670 37,671 2,672 2,673 2,677 1,681 1,682 1,683 1,693 2,705 1,708 1,710 2,712 1,715 24,717 1,718 13,719 1,721 2,731 1.6,732 1,737 12.333,738 10.45,739 5.778,740 4.489,741 1.133,742 1.171,743 0.903,744 9.453,745 7.772,746 3.367,747 3.701,748 4.082,749 4.47,750 4.93,751 4.982,752 5.184,753 5.28,754 5.437,755 5.57,756 0.9,757 30,758 8.972,759 3.561,760 7.333,761 18.472,762 15.297,763 1.833,764 44,765 0.001,768 411.989,769 83.087,770 18.011,772 42.683,774 83.087,775 454.672,776 18.011,777 8.825,778 29.986,779 98.599,781 6.371,783 411.989,785 411.989,786 101.098,787 42.683,790 364.904,791 47.084,792 42.683,793 56.822,794 44.276,797 411.989,798 60.694,799 83.087,801 411.989,802 36.357,803 46.73,804 18.011,805 42.683,806 411.989,807 60.694,808 83.087,810 0.534,811 0.294,812 0.151,813 0.085,814 10,815 4,816 0.177,817 11,819 1,820 3.876,821 165.283,823 12,824 99.284,826 19.467,827 11.655,828 7.291,830 60.694,831 9.464,836 3.037,838 60.694,839 555.77,840 28,846 59.334,847 69.181,848 0.196,849 0.434,850 0.654,851 0.799,852 0.849,853 0.86,854 4.538,855 1,856 5.38,857 2.587,858 4.111,859 4.382,860 0.278,861 6.033,862 4.088,863 5.592,864 1,865 6.83,866 2.275,867 3.219,868 3.689,870 6.629,871 3.195,872 6.794,873 0.827,874 8.384,875 2.275,876 5.533,877 6.229,878 0.05,879 9.693,880 5.496,881 8.03,882 0.352,883 10.006,884 1.523,885 5.565,886 6.473,888 11.212,889 5.527,890 9.311,891 0.186,892 11.674,893 0.603,894 7.222,895 8.435,896 0.008,897 13.715,898 7.176,899 10.618,900 -0.24,901 13.374,902 0.324,903 7.727,904 9.122,906 15.609,907 7.683,908 11.947,909 -0.513,910 15.097,911 -0.454,912 9.068,913 10.821,914 0.001,915 17.916,916 9.018,917 2.891,918 -0.792,919 16.836,920 -0.97,921 9.827,922 11.742,924 19.975,925 9.779,926 2.521,927 9.08,928 18.588,929 -1.533,930 11.011,931 13.298,933 22.212,934 10.96,935 2.332,936 7.033,937 20.349,938 3.692,939 11.907,940 14.356,942 24.347,943 11.858,944 1.847,945 6.791,946 22.119,947 2.95,948 13.016,949 15.826,951 26.559,952 12.966,953 1.595,954 4.194,955 23.894,956 2.487,957 13.985,958 16.97,960 28.73,961 13.936,962 1.424,963 3.632,964 25.675,965 1.866,966 15.06,967 18.385,969 30.934,970 15.01,971 1.307,972 2.728,973 27.46,974 1.746,975 16.068,976 19.584,978 33.123,979 16.019,980 7333,981 9268,982 16.871,983 37.165,984 34.525,985 34.926,986 35.594,987 34.542,988 34.565,989 38.911,990 0.8,991 86.089,992 34.106,993 5.144,994 5.099,995 6.113,996 4.889,997 4.891,998 6.692,999 0.8,1000 15.168,1001 4.886,1002 9.812,1003 1.381,1004 1.397,1005 1.424,1006 1.382,1007 1.383,1008 1.556,1009 0.032,1010 3.444,1011 1.364,1012 4.013,1013 4.052,1014 3.927,1015 3.948,1016 6.456,1017 3.939,1018 3.815,1019 3.873,1020 3.688,1021 3.704,1022 4.732,1023 3.691,1024 3.748,1025 3.81,1026 3.587,1027 3.631,1028 4.338,1029 3.612,1030 3.554,1031 3.626,1032 3.384,1033 3.403,1034 4.214,1035 3.384,1036 3.491,1037 3.562,1038 3.306,1039 3.298,1040 4.034,1041 3.294,1042 3.25,1043 3.331,1044 3.055,1045 3.099,1046 3.928,1047 3.077,1048 3.111,1049 3.206,1050 2.878,1051 2.941,1052 3.704,1053 2.91,1054 3.085,1055 3.166,1056 2.866,1057 2.907,1058 3.674,1059 2.887,1060 0.166,1061 0.124,1062 0.246,1063 0.156,1064 0.116,1065 4.144,1066 0.148,1067 3.099,1068 0.016,1069 6.15,1070 0.363,1071 3.889,1072 0.115,1073 2.891,1074 3.692,1075 0.4,1076 9.08,1077 2.886,1078 1.995,1079 1.963,1080 2.144,1081 2.09,1082 1.511,1083 2.111,1084 1.829,1085 1.775,1086 2.057,1087 1.976,1088 1.408,1089 2.005,1090 1.757,1091 1.698,1092 1.978,1093 1.907,1094 1.242,1095 1.935,1096 1.567,1097 1.498,1098 1.843,1099 1.764,1100 1.087,1101 1.792,1102 1.477,1103 1.407,1104 1.757,1105 1.704,1106 0.993,1107 1.731,1108 1.281,1109 1.205,1110 1.608,1111 1.486,1112 0.863,1113 1.532,1114 1.153,1115 1.064,1116 1.513,1117 1.376,1118 0.825,1119 1.429,1120 1.094,1121 1.017,1122 1.407,1123 1.327,1124 0.698,1125 1.354,1126 3.932,1128 5.142,1130 6.55,1132 8.054,1134 9.614,1135 2.277,1139 8.906,1140 15.524,1141 3.444,1143 1.348,1148 33.219,1149 70.918,1150 156.976,1151 236.582,1152 289.02,1153 307.02,1154 311.02,1155 47.522,1156 6.639,1157 32.26,1158 32.26,1159 12,1160 11.812,1161 2.807,1162 2,1163 49.027,1164 110,1165 126,1166 0.216,1167 209.024,1168 365.41,1169 501.777,1170 6501,1172 17.037,1173 0.71,1174 0.65,1175 17.037,1176 15.604,1177 11.83,1178 0.473,1179 0.41,1180 10.219,1181 11.67,1182 9.971,1183 8.37,1184 11.83,1185 10.262,1186 9.26,1187 0.309,1188 0.25,1189 9.26,1190 7.486,1191 7.381,1192 0.205,1193 0.154,1194 7.381,1195 5.542,1196 5.603,1197 0.133,1198 0.094,1199 5.603,1200 3.965,1201 4.519,1202 0.087,1203 0.056,1204 4.519,1205 2.912,1206 0.357,1207 72.141,1208 0.243,1209 24.628,1210 0.543,1211 110,1212 190.483,1213 113.16,1214 189.38,1215 259.32,1216 180,1217 121,1218 180.924,1219 123.717,1220 186.924,1221 268.18,1222 178,1223 4.658} {0 CHEMBL1927581,1 1.071,2 12.095,3 6.174,4 38.122,5 92.824,6 5.325,7 0.273,8 3.999,9 4.156,10 3.257,11 3.553,12 4.78,13 3.444,14 4.616,15 4.843,16 3.519,17 3.975,18 5.27,19 3.809,20 4.975,21 5.272,22 3.533,23 4.131,24 5.562,25 3.912,26 4.989,27 5.305,28 3.371,29 4.074,30 5.55,31 3.824,32 4.875,33 5.202,34 3.251,35 3.944,36 5.415,37 3.692,38 4.684,39 4.997,40 3.144,41 3.788,42 5.258,43 3.549,44 4.542,45 4.846,46 3.035,47 3.662,48 5.153,49 3.431,50 4.487,51 4.799,52 2.912,53 3.588,54 5.047,55 3.345,56 0.064,57 0.721,58 13.628,59 5.923,60 7.239,61 8.531,62 0.106,63 1.194,64 23.146,65 10.133,66 10.898,67 14.561,68 0.151,69 1.521,70 30.333,71 12.899,72 17.685,73 18.727,74 0.146,75 1.475,76 29.723,77 12.738,78 18.328,79 18.44,80 0.12,81 1.291,82 26.053,83 11.407,84 16.178,85 16.388,86 0.102,87 1.092,88 21.931,89 9.511,90 15.247,91 13.714,92 0.099,93 0.965,94 19.34,95 8.131,96 14.779,97 11.857,98 0.089,99 0.896,100 18.028,101 7.708,102 11.452,103 11.169,104 12,105 27,106 0.183,107 0.408,108 0.593,109 0.759,110 0.816,111 0.828,112 3.101,113 1.246,114 -6.85,115 -6.66,116 -6.17,117 37,118 1,119 11,120 1,124 1,130 4,131 2,146 1,147 1,148 1,151 19,156 2,158 23,159 2,165 2,167 23,168 2,174 1,176 19,177 1,183 1,185 16,186 1,191 2,193 13,194 2,199 2,200 12,201 2,205 1,206 11,207 1,213 1,214 10,215 1,216 602,217 14.474,218 14.474,219 14.474,220 14.474,221 14.474,222 13.775,223 11.651,224 9.212,225 14.494,226 10.853,227 10.853,228 10.853,229 10.853,230 10.853,231 9.795,232 6.912,233 4.404,234 10.892,235 4.683,236 3.363,237 2.281,238 1.31,239 0.977,240 0.903,241 3.769,245 1,246 522,247 3,251 153.57,256 2.1,257 7.458,259 0.75,260 0.83,261 0.83,262 0.8,263 0.5,264 0.83,265 1,266 0.79,267 42.5,268 254,269 4.143,270 3.095,271 6.148,272 3.885,273 2.886,274 3.692,276 9.073,277 2.883,278 3.702,279 2.674,280 5.332,281 3.479,282 2.483,283 2.948,285 6.935,286 2.473,287 3.336,288 2.404,289 5.033,290 3.23,291 2.246,292 2.381,294 6.062,295 2.209,296 2.857,297 1.847,298 4.306,299 2.844,300 1.844,301 1.86,303 4.057,304 1.844,305 2.647,306 1.563,307 3.837,308 2.515,309 1.518,310 1.661,312 3.625,313 1.512,314 2.5,315 1.369,316 3.422,317 2.348,318 1.35,319 1.5,321 2.709,322 1.347,323 2.422,324 1,325 3.414,326 2,327 1,328 1.42,330 2.275,331 1,332 2,333 1,334 3.414,335 2,336 1,337 1,339 2.275,340 1,341 1.872,342 0.846,343 2.91,344 1.826,345 0.826,346 0.853,347 1.522,348 0.826,349 1.305,350 0.347,351 2.526,352 1.217,353 0.218,354 0.229,355 0.398,356 0.218,357 0.975,358 0.027,359 2.202,360 0.873,361 -0.11,362 -0.115,363 -0.223,364 -0.108,365 0.677,366 -0.302,367 2,368 0.562,369 -0.427,370 -0.455,371 -0.838,372 -0.422,373 0.5,374 -0.706,375 2,376 0.221,377 -0.773,378 -0.848,379 -1.517,380 -0.769,381 0.352,382 -1,383 1.662,385 -1,386 -1,387 -2.497,388 -1,390 -1,391 1.534,393 -1,394 -1.252,395 -3,396 -1,397 10.4,398 0.495,399 0.294,400 0.014,401 17.25,402 0.821,403 6,404 0.286,405 11.25,406 0.536,407 23.488,408 1.118,409 25,410 0.463,411 7.769,412 0.37,413 2.186,414 0.104,415 8.106,416 0.386,417 0.087,419 0.192,420 1.36,421 1.229,422 1.245,423 1.226,424 1.393,425 1.23,426 0.975,427 1.278,428 1.224,429 1.275,430 0.823,431 1.261,432 1.059,433 1.03,434 1.041,435 1.034,436 1.027,437 1.036,438 0.984,439 0.984,440 1.02,441 1.009,442 1.058,443 1.015,444 0.662,445 0.916,446 0.903,447 0.935,448 0.753,449 0.929,450 0.675,451 1.023,452 0.952,453 1.013,454 0.69,455 0.996,456 1.034,457 1.072,458 1.04,459 1.054,460 1.047,461 1.049,462 0.963,463 1.022,464 1.03,465 1.034,466 0.99,467 1.035,468 3,469 0.058,470 1.778,471 0.5,472 0.484,473 0.451,474 0.302,475 0.106,476 0.111,477 0.071,478 4930,479 6675,480 2.023,481 61.1,482 22,483 5,486 2,488 4,490 1.621,491 1.938,492 3.556,493 0.143,497 57.86,498 1.071,499 2.392,500 3.474,501 4.445,502 4.778,503 4.852,504 3.106,505 4.011,506 4.353,507 3.699,508 776.745,509 7.41,510 8921.46,513 310.764,514 1.125,515 4.345,516 0.136,517 0.006,518 0.066,519 0.019,520 0.023,521 0.024,522 0.018,523 0.007,524 0.009,525 0.006,526 0.313,527 0.67,528 0.88,529 1.996,530 99.023,531 -0.088,532 0.107,533 0.017,534 0.067,535 -0.109,536 0.05,537 -0.05,538 -0.115,539 -0.102,540 -0.113,541 0.012,542 -0.11,543 -0.043,544 -0.011,545 -0.03,546 -0.021,547 -0.024,548 -0.024,549 -0.065,550 -0.013,551 -0.049,552 -0.032,553 -0.101,554 -0.038,555 0.04,556 0.023,557 0.04,558 0.033,559 -0.02,560 0.036,561 0.072,562 -0.057,563 0.014,564 -0.022,565 0.082,566 -0.009,567 -0.009,568 -0.074,569 -0.045,570 -0.061,571 0.033,572 -0.055,573 -0.044,574 -0.044,575 -0.053,576 -0.05,577 -0.063,578 -0.051,579 0.881,580 1.998,581 0.571,582 22.952,583 0.967,584 1.132,585 5.619,586 31.577,587 0.615,588 3.135,589 3.332,590 3.497,591 3.638,592 3.85,593 3.829,594 3.85,595 3.829,596 3.892,597 3.85,598 6.833,599 0.545,600 287.54,601 3.135,602 4.595,603 5.38,604 6.188,605 6.997,606 7.817,607 8.638,608 9.466,609 10.294,610 11.128,611 1.9,612 1,623 4,628 2,630 6,638 54,639 6,640 1,641 22,642 55,643 20,644 6,645 2,646 4,648 2,649 2,652 1,655 5,656 1,657 12,659 6,660 14,661 1,670 33,671 1,672 2,673 1,677 1,681 1,693 2,704 1,710 2,712 1,715 21,716 1,718 11,721 2,737 10.833,738 9.333,739 4.944,740 4.042,741 1.147,742 1.181,743 0.93,744 7.291,745 7.475,746 3.258,747 3.624,748 4.012,749 4.411,750 4.885,751 4.925,752 5.103,753 5.167,754 5.294,755 5.329,756 1,757 26,758 7.857,759 3.14,760 7.238,761 16.298,762 13.666,763 1.738,764 36.5,765 0.004,768 364.904,769 80.981,770 32.897,774 80.981,775 364.904,776 32.897,777 8.825,778 60.777,779 37.905,781 6.371,783 364.904,785 364.904,786 113.878,790 317.82,791 47.084,793 69.602,794 44.276,797 364.904,798 32.897,799 80.981,801 364.904,802 34.251,803 46.73,805 32.897,806 364.904,807 32.897,808 80.981,810 0.545,811 0.297,812 0.148,813 0.084,814 10,815 4,816 0.145,817 8,819 1,820 3.556,821 138.795,823 12,824 84.239,826 16.551,827 9.25,828 5.824,830 32.897,831 9.452,836 3.051,838 32.897,839 478.783,840 25,846 52.239,847 61.142,848 0.186,849 0.416,850 0.604,851 0.772,852 0.83,853 0.843,854 4.437,855 1,856 5.283,857 2.275,858 4.007,859 4.304,861 5.943,862 4,863 5.51,864 0.826,865 6.742,866 2.275,867 3.219,868 3.689,870 6.555,871 3.195,872 6.723,873 0.218,874 8.302,875 1.522,876 5.442,877 6.185,879 9.603,880 5.429,881 7.969,882 -0.11,883 9.927,884 0.398,885 5.525,886 6.457,888 11.124,889 5.498,890 9.256,891 -0.427,892 11.597,893 -0.223,894 7.14,895 8.411,897 13.633,898 7.121,899 10.568,900 -0.773,901 13.297,902 -0.838,903 7.67,904 9.108,906 15.533,907 7.643,908 11.901,909 -1,910 15.02,911 -1.517,912 8.991,913 10.808,915 17.85,916 8.97,917 2.886,918 -1,919 16.76,920 -2.497,921 9.763,922 11.733,924 19.917,925 9.737,926 2.483,927 9.073,928 18.514,929 -3,930 10.939,931 13.291,933 22.161,934 10.917,935 2.246,936 6.935,937 20.277,938 3.692,939 11.842,940 14.351,942 24.303,943 11.817,944 1.844,945 6.062,946 22.049,947 2.948,948 12.949,949 15.822,951 26.521,952 12.926,953 1.518,954 4.057,955 23.828,956 2.381,957 13.921,958 16.967,960 28.696,961 13.898,962 1.35,963 3.625,964 25.613,965 1.86,966 14.996,967 18.383,969 30.905,970 14.974,971 1,972 2.709,973 27.402,974 1.661,975 16.007,976 19.583,978 33.096,979 15.984,980 4994,981 5872,982 14.792,983 33.188,984 30.844,985 30.689,986 31.596,987 30.778,988 30.744,989 35.088,991 77.861,992 30.623,993 5.143,994 5.095,995 6.111,996 4.885,997 4.886,998 6.692,1000 15.149,1001 4.883,1002 8.751,1003 1.402,1004 1.395,1005 1.436,1006 1.399,1007 1.397,1008 1.595,1010 3.539,1011 1.392,1012 4.008,1013 4.047,1014 3.924,1015 3.946,1016 5.003,1017 3.937,1018 3.804,1019 3.864,1020 3.668,1021 3.696,1022 4.726,1023 3.681,1024 3.74,1025 3.8,1026 3.581,1027 3.627,1028 4.214,1029 3.607,1030 3.528,1031 3.602,1032 3.341,1033 3.394,1034 4.109,1035 3.371,1036 3.28,1037 3.364,1038 3.1,1039 3.129,1040 3.986,1041 3.11,1042 3.136,1043 3.236,1044 2.913,1045 2.945,1046 3.71,1047 2.925,1048 3.111,1049 3.206,1050 2.866,1051 2.941,1052 3.674,1053 2.91,1054 2.875,1055 2.984,1056 2.687,1057 2.735,1058 3.474,1059 2.715,1060 0.188,1061 0.141,1062 0.279,1063 0.177,1064 0.131,1065 4.143,1066 0.168,1067 3.095,1069 6.148,1070 0.412,1071 3.885,1072 0.131,1073 2.886,1074 3.692,1076 9.073,1077 2.883,1078 1.994,1079 1.962,1080 2.143,1081 2.087,1082 1.499,1083 2.108,1084 1.823,1085 1.768,1086 2.056,1087 1.969,1088 1.408,1089 2.002,1090 1.752,1091 1.694,1092 1.974,1093 1.898,1094 1.24,1095 1.927,1096 1.559,1097 1.489,1098 1.836,1099 1.735,1100 1.066,1101 1.774,1102 1.301,1103 1.225,1104 1.617,1105 1.51,1106 0.874,1107 1.549,1108 1.153,1109 1.064,1110 1.513,1111 1.4,1112 0.825,1113 1.43,1114 1.146,1115 1.058,1116 1.46,1117 1.376,1118 0.701,1119 1.429,1120 0.91,1121 0.821,1122 1.314,1123 1.173,1124 0.521,1125 1.228,1126 3.807,1128 5.03,1130 6.45,1132 7.963,1134 9.527,1135 2.279,1138 5.998,1140 14.51,1143 1.209,1148 29.45,1149 57.86,1150 129.163,1151 187.57,1152 240.009,1153 258.009,1154 262.009,1155 36.733,1156 6.328,1157 26.02,1158 26.02,1159 12,1160 11.7,1161 2.807,1162 2,1163 39.824,1164 86,1165 96,1166 0.228,1167 185.843,1168 322.02,1169 445.216,1170 4268,1172 14.916,1173 0.71,1174 0.658,1175 14.916,1176 13.82,1177 10.292,1178 0.468,1179 0.415,1180 9.126,1181 10.255,1182 8.877,1183 7.487,1184 10.292,1185 9.137,1186 8.357,1187 0.31,1188 0.254,1189 8.357,1190 6.871,1191 6.585,1192 0.206,1193 0.158,1194 6.585,1195 5.042,1196 4.919,1197 0.133,1198 0.095,1199 4.919,1200 3.518,1201 3.984,1202 0.087,1203 0.056,1204 3.984,1205 2.59,1206 0.374,1207 62.041,1208 0.26,1209 21.81,1210 0.58,1211 98,1212 141.312,1213 99.027,1214 147.986,1215 208.12,1216 140,1217 108,1218 153.634,1219 108.833,1220 160.869,1221 230.03,1222 153,1223 4.495} {0 CHEMBL1927583,1 1.059,2 12.913,3 7.142,4 51.008,5 102.893,6 5.26,7 0.25,8 4.1,9 4.256,10 3.354,11 3.637,12 4.855,13 3.527,14 4.729,15 4.971,16 3.617,17 4.054,18 5.348,19 3.894,20 5.053,21 5.338,22 3.665,23 4.245,24 5.615,25 4.034,26 5.148,27 5.459,28 3.541,29 4.247,30 5.683,31 3.998,32 5.101,33 5.432,34 3.382,35 4.14,36 5.606,37 3.871,38 4.908,39 5.243,40 3.252,41 3.945,42 5.4,43 3.686,44 4.655,45 4.959,46 3.22,47 3.797,48 5.22,49 3.58,50 4.612,51 4.898,52 3.151,53 3.788,54 5.216,55 3.563,56 0.073,57 0.801,58 15.221,59 6.499,60 8.219,61 9.427,62 0.14,63 1.326,64 25.906,65 10.702,66 11.911,67 15.702,68 0.162,69 1.676,70 33.213,71 14.252,72 16.195,73 20.624,74 0.167,75 1.739,76 34.862,77 15.091,78 18.416,79 21.768,80 0.146,81 1.589,82 32.089,83 14.117,84 17.447,85 20.246,86 0.123,87 1.306,88 26.387,89 11.481,90 14.207,91 16.534,92 0.108,93 1.086,94 21.658,95 9.201,96 12.831,97 13.365,98 0.1,99 1.061,100 21.072,101 9.139,102 13.323,103 13.174,104 20,105 30,106 0.177,107 0.374,108 0.599,109 0.745,110 0.795,111 0.806,112 3.186,113 1.245,114 -7.29,115 -7.08,116 -6.54,117 36.7,118 1,119 11,120 1,122 2,124 1,130 4,131 2,151 19,153 2,158 23,161 2,167 23,170 1,176 19,179 1,185 16,188 2,193 13,196 2,200 12,203 1,206 11,209 1,214 10,216 789,217 15.681,218 15.681,219 15.681,220 15.681,221 15.681,222 14.982,223 15.005,224 9.847,225 15.791,226 11.82,227 11.82,228 11.82,229 11.82,230 11.82,231 10.763,232 14.197,233 4.663,234 11.984,235 4.848,236 3.661,237 2.312,238 1.438,239 1.138,240 1.071,241 3.855,245 1,246 606,247 3.464,251 171.696,256 2.272,257 5.467,259 0.75,260 0.83,261 0.67,262 0.6,263 0.5,264 0.83,265 1,266 0.74,267 46.5,268 297,269 4.146,270 3.121,271 6.162,272 3.905,273 2.913,274 3.692,275 0.8,276 9.107,277 2.895,278 3.775,279 2.915,280 5.889,281 3.632,282 2.671,283 2.958,285 8.075,286 2.57,287 3.602,288 2.649,289 5.325,290 3.394,291 2.402,292 2.696,294 6.908,295 2.376,296 2.876,297 1.856,298 4.417,299 2.85,300 1.85,301 1.89,303 4.348,304 1.849,305 2.789,306 1.751,307 3.841,308 2.631,309 1.648,310 1.811,312 3.639,313 1.619,314 2.5,315 1.435,316 3.727,317 2.401,318 1.406,319 1.5,321 2.817,322 1.398,323 2.44,324 1.246,325 3.419,326 2.083,327 1.116,328 1.439,330 2.644,331 1.076,332 2.165,333 1,334 3.414,335 2,336 1,337 1.156,339 2.275,340 1,341 2,342 1,343 3.414,344 2,345 1,346 1,347 2.275,348 1,349 1.865,350 0.834,351 2.905,352 1.817,353 0.818,354 0.846,355 1.514,356 0.817,357 1.288,358 0.312,359 2.497,360 1.204,361 0.205,362 0.215,363 0.369,364 0.204,365 0.912,366 -0.101,367 2.195,368 0.763,369 -0.232,370 -0.251,371 -0.469,372 -0.23,373 0.5,374 -0.417,375 2,376 0.445,377 -0.545,378 -0.564,379 -1.11,380 -0.539,381 0.499,382 -0.6,383 2,384 0.169,385 -0.826,386 -0.909,387 -1.699,388 -0.82,389 0.316,390 -0.786,391 1.796,393 -1,394 -1,395 -2,396 -0.9,397 11.4,398 0.496,399 0.383,400 0.017,401 18.75,402 0.815,403 6,404 0.261,405 12.75,406 0.554,407 26.904,408 1.17,409 27.6,410 0.46,411 9.168,412 0.399,413 2.573,414 0.112,415 8.629,416 0.375,417 0.132,419 0.211,420 1.154,421 1.442,422 1.242,423 1.335,424 1.238,425 1.3,426 1.75,427 1.14,428 1.22,429 1.13,430 0.976,431 1.151,432 1.104,433 1.088,434 1.098,435 1.093,436 1.006,437 1.095,438 0.985,439 1.027,440 1.056,441 1.051,442 1.146,443 1.056,444 0.674,445 0.945,446 0.934,447 0.966,448 1.103,449 0.96,450 0.611,451 0.904,452 0.846,453 0.896,454 0.885,455 0.882,456 0.991,457 1.002,458 0.973,459 0.983,460 0.917,461 0.978,462 1.031,463 1.147,464 1.153,465 1.163,466 1.337,467 1.163,468 3.5,469 0.074,470 2.222,471 0.75,472 0.564,473 0.576,474 0.384,475 0.168,476 0.135,477 0.123,478 6264,479 8181,480 1.995,481 61.7,482 22,483 11,488 4,490 1.647,491 1.89,492 3.635,493 -0.944,497 63.556,498 1.059,499 2.245,500 3.595,501 4.469,502 4.769,503 4.836,504 3.142,505 4.089,506 4.482,507 3.809,508 963.666,509 7.674,510 11940.9,513 354.413,514 1.264,515 4.465,516 0.146,517 0.006,518 0.074,519 0.025,520 0.023,521 0.027,522 0.02,523 0.009,524 0.008,525 0.009,526 0.347,527 0.5,528 0.88,529 2.066,530 112.237,531 0.136,532 -0.095,533 0.041,534 -0.026,535 0.052,536 -0.002,537 -0.166,538 0.042,539 -0.066,540 -0.01,541 0.018,542 -0.03,543 -0.062,544 -0.033,545 -0.056,546 -0.046,547 -0.016,548 -0.05,549 -0.076,550 -0.037,551 -0.07,552 -0.056,553 -0.111,554 -0.062,555 0.02,556 -0.012,557 0.004,558 -0.004,559 -0.091,560 -0.001,561 0.112,562 0.021,563 0.086,564 0.056,565 0.063,566 0.067,567 0.035,568 0.008,569 0.033,570 0.022,571 0.128,572 0.026,573 -0.095,574 -0.104,575 -0.123,576 -0.118,577 -0.111,578 -0.121,579 0.533,580 0.41,581 0.522,582 27.936,583 0.967,584 1.133,585 6.061,586 36.737,587 0.612,588 3.219,589 3.434,590 3.611,591 3.738,592 3.932,593 3.989,594 4.078,595 3.989,596 4.043,597 4.143,598 7.347,599 0.542,600 315.6,601 3.219,602 4.691,603 5.485,604 6.301,605 7.117,606 7.945,607 8.773,608 9.608,609 10.444,610 11.284,611 1.7,614 1,623 4,628 2,630 6,638 60,639 6,640 1,641 24,642 61,643 22,644 6,645 2,646 4,648 2,649 2,652 1,655 5,656 1,657 12,659 6,660 16,661 1,670 37,671 1,673 1,677 1,681 1,693 2,706 1,710 2,712 3,715 23,718 11,721 2,722 1,737 12.167,738 11.2,739 5.389,740 4.397,741 1.138,742 1.174,743 0.917,744 8.158,745 7.682,746 3.332,747 3.701,748 4.082,749 4.459,750 4.915,751 4.982,752 5.195,753 5.265,754 5.421,755 5.612,756 0.889,757 30,758 8.604,759 3.39,760 7.174,761 17.92,762 14.846,763 1.674,764 38.5,765 0.003,768 435.531,769 97.774,770 3.124,774 97.774,775 435.531,776 3.124,777 25.618,778 27.88,779 37.905,781 9.495,783 435.531,785 435.531,786 100.898,790 388.446,791 47.084,793 39.829,794 61.069,797 435.531,798 3.124,799 97.774,801 435.531,802 34.251,803 66.647,806 435.531,807 3.124,808 97.774,810 0.551,811 0.305,812 0.147,813 0.078,814 11,815 5,816 0.148,817 9,819 1,820 3.709,821 158.539,823 12,824 91.287,826 18.519,827 10.131,828 6.297,830 3.124,831 9.596,836 3.111,839 536.429,840 27,846 58.007,847 67.972,848 0.179,849 0.38,850 0.609,851 0.757,852 0.807,853 0.819,854 4.527,855 1,856 5.407,857 2.644,858 4.111,859 4.382,860 0.673,861 6.098,862 4.085,863 5.61,864 1,865 6.893,866 2.275,867 3.434,868 3.829,869 0.325,870 6.81,871 3.359,872 6.832,873 0.818,874 8.484,875 2.275,876 5.58,877 6.252,878 0.379,879 9.838,880 5.527,881 8.087,882 0.205,883 10.14,884 1.514,885 5.771,886 6.561,887 0.268,888 11.417,889 5.669,890 9.381,891 -0.232,892 11.838,893 0.369,894 7.326,895 8.467,896 0.239,897 13.91,898 7.243,899 10.7,900 -0.545,901 13.565,902 -0.469,903 7.938,904 9.179,905 0.188,906 15.829,907 7.814,908 12.037,909 -0.826,910 15.312,911 -1.11,912 9.222,913 10.849,914 0.156,915 18.131,916 9.109,917 2.913,918 -1,919 17.071,920 -1.699,921 10.046,922 11.778,923 0.125,924 20.196,925 9.905,926 2.671,927 9.107,928 18.84,929 -2,930 11.202,931 13.319,932 0.102,933 22.425,934 11.066,935 2.402,936 8.075,937 20.616,938 3.692,939 12.136,940 14.378,941 0.082,942 24.557,943 11.979,944 1.85,945 6.908,946 22.398,947 2.958,948 13.232,949 15.841,950 0.066,951 26.76,952 13.076,953 1.648,954 4.348,955 24.183,956 2.696,957 14.222,958 16.984,959 0.054,960 28.923,961 14.053,962 1.406,963 3.639,964 25.971,965 1.89,966 15.292,967 18.395,968 0.043,969 31.119,970 15.121,971 1.116,972 2.817,973 27.762,974 1.811,975 16.312,976 19.593,977 0.035,978 33.298,979 16.132,980 6380,981 7356,982 15.89,983 36.711,984 34.14,985 33.891,986 35.026,987 34.109,988 34.057,989 38.404,990 1.6,991 87.942,992 33.609,993 5.146,994 5.121,995 6.125,996 4.905,997 4.913,998 6.692,999 1.2,1000 15.232,1001 4.895,1002 11.29,1003 1.423,1004 1.412,1005 1.459,1006 1.421,1007 1.419,1008 1.6,1009 0.067,1010 3.664,1011 1.4,1012 4.014,1013 4.054,1014 3.928,1015 3.949,1016 4.732,1017 3.939,1018 3.82,1019 3.878,1020 3.696,1021 3.708,1022 4.371,1023 3.696,1024 3.749,1025 3.812,1026 3.587,1027 3.632,1028 4.214,1029 3.613,1030 3.544,1031 3.62,1032 3.367,1033 3.402,1034 4.074,1035 3.382,1036 3.44,1037 3.528,1038 3.254,1039 3.241,1040 3.981,1041 3.235,1042 3.228,1043 3.317,1044 3.008,1045 3.065,1046 3.717,1047 3.04,1048 3.111,1049 3.206,1050 2.866,1051 2.941,1052 3.674,1053 2.91,1054 2.994,1055 3.081,1056 2.773,1057 2.837,1058 3.474,1059 2.81,1060 0.173,1061 0.13,1062 0.257,1063 0.163,1064 0.121,1065 4.146,1066 0.154,1067 3.121,1068 0.033,1069 6.162,1070 0.379,1071 3.905,1072 0.121,1073 2.913,1074 3.692,1075 0.8,1076 9.107,1077 2.895,1078 1.996,1079 1.964,1080 2.146,1081 2.092,1082 1.515,1083 2.112,1084 1.832,1085 1.778,1086 2.058,1087 1.978,1088 1.408,1089 2.007,1090 1.758,1091 1.699,1092 1.98,1093 1.909,1094 1.243,1095 1.938,1096 1.567,1097 1.497,1098 1.844,1099 1.753,1100 1.083,1101 1.789,1102 1.433,1103 1.345,1104 1.739,1105 1.669,1106 0.924,1107 1.701,1108 1.265,1109 1.181,1110 1.603,1111 1.475,1112 0.825,1113 1.524,1114 1.153,1115 1.064,1116 1.513,1117 1.376,1118 0.801,1119 1.429,1120 1.032,1121 0.95,1122 1.417,1123 1.24,1124 0.633,1125 1.308,1126 3.892,1128 5.13,1130 6.564,1132 8.089,1134 9.663,1135 6.735,1140 15.051,1143 1.604,1144 2.403,1148 32.504,1149 63.556,1150 134.729,1151 215.71,1152 268.149,1153 286.149,1154 290.149,1155 40.446,1156 6.544,1157 3.24,1158 3.24,1159 12,1160 11.851,1161 2.807,1162 2,1163 45.879,1164 101,1165 115,1166 0.223,1167 205.027,1168 356.62,1169 492.027,1170 5624,1172 16.493,1173 0.717,1174 0.682,1175 16.493,1176 15.689,1177 11.203,1178 0.467,1179 0.415,1180 9.918,1181 11.086,1182 9.547,1183 8.096,1184 11.203,1185 9.956,1186 9.256,1187 0.309,1188 0.258,1189 9.256,1190 7.728,1191 7.283,1192 0.202,1193 0.158,1194 7.283,1195 5.697,1196 5.445,1197 0.133,1198 0.097,1199 5.445,1200 3.991,1201 4.188,1202 0.084,1203 0.057,1204 4.188,1205 2.836,1206 0.368,1207 67.96,1208 0.251,1209 23.604,1210 0.567,1211 108,1212 161.645,1213 109.748,1214 166.675,1215 233.5,1216 158,1217 120,1218 170.761,1219 122.165,1220 181.08,1221 256.77,1222 169,1223 4.398} {0 CHEMBL1927588,1 1.048,2 13.083,3 5.787,4 33.492,5 105.692,6 5.166,7 0.24,8 4.164,9 4.324,10 3.402,11 3.682,12 4.903,13 3.571,14 4.805,15 5.051,16 3.702,17 4.124,18 5.408,19 3.969,20 5.156,21 5.435,22 3.747,23 4.355,24 5.726,25 4.139,26 5.309,27 5.633,28 3.624,29 4.366,30 5.814,31 4.104,32 5.222,33 5.558,34 3.446,35 4.239,36 5.712,37 3.96,38 5.016,39 5.359,40 3.306,41 4.024,42 5.484,43 3.756,44 4.723,45 5.027,46 3.307,47 3.874,48 5.288,49 3.66,50 4.702,51 4.981,52 3.26,53 3.896,54 5.329,55 3.673,56 0.083,57 0.857,58 16.385,59 6.828,60 8.285,61 9.995,62 0.159,63 1.43,64 28.04,65 11.356,66 12.417,67 16.785,68 0.176,69 1.861,70 36.871,71 15.928,72 18.243,73 22.994,74 0.188,75 1.973,76 39.704,77 17.251,78 20.444,79 24.849,80 0.16,81 1.755,82 35.463,83 15.628,84 18.729,85 22.4,86 0.133,87 1.416,88 28.646,89 12.483,90 14.542,91 17.967,92 0.113,93 1.16,94 23.12,95 9.873,96 13.368,97 14.315,98 0.108,99 1.17,100 23.185,101 10.113,102 15.375,103 14.549,104 27,105 33,106 0.172,107 0.364,108 0.589,109 0.724,110 0.77,111 0.78,112 3.226,113 1.271,114 -3.82,115 -3.78,116 -3.59,117 35.9,118 1,119 11,120 1,122 3,124 1,130 4,131 2,151 19,158 23,159 2,167 23,168 2,176 19,177 1,185 16,186 1,193 13,194 2,200 12,201 2,206 11,207 1,214 10,215 1,216 902,217 15.946,218 15.946,219 15.946,220 15.946,221 15.946,222 15.247,223 15.303,224 9.843,225 16.074,226 12.327,227 12.327,228 12.327,229 12.327,230 12.327,231 11.27,232 14.799,233 4.672,234 12.556,235 4.952,236 3.783,237 2.414,238 1.594,239 1.313,240 1.251,241 3.892,245 1,246 639,247 3.873,251 180.759,256 2.34,257 5.936,259 1,260 1,261 0.83,262 0.7,263 0.5,264 1,265 1,266 0.86,267 48.5,268 314,269 4.319,270 3.653,271 7.111,272 4.236,273 3.315,274 3.693,275 1.2,276 11.659,277 3.065,278 4.13,279 3.08,280 6.142,281 3.853,282 2.857,283 3.312,285 9.053,286 2.838,287 3.675,288 2.66,289 5.328,290 3.433,291 2.435,292 2.932,294 6.922,295 2.43,296 2.989,297 1.964,298 4.715,299 2.879,300 1.887,301 2.031,303 5.152,304 1.872,305 2.844,306 1.838,307 4.278,308 2.804,309 1.812,310 1.848,312 3.854,313 1.793,314 2.5,315 1.481,316 3.837,317 2.445,318 1.448,319 1.5,321 3.607,322 1.443,323 2.482,324 1.318,325 3.423,326 2.26,327 1.269,328 1.482,330 2.705,331 1.257,332 2.368,333 1,334 3.414,335 2,336 1,337 1.361,339 2.275,340 1,341 2,342 1,343 3.414,344 2,345 1,346 1,347 2.275,348 1,349 1.868,350 0.837,351 2.937,352 1.821,353 0.822,354 0.849,355 1.518,356 0.821,357 1.291,358 0.315,359 2.783,360 1.206,361 0.206,362 0.217,363 0.373,364 0.206,365 0.917,366 -0.096,367 2.396,368 0.771,369 -0.224,370 -0.243,371 -0.459,372 -0.223,373 0.508,374 -0.414,375 2.155,376 0.453,377 -0.539,378 -0.558,379 -1.114,380 -0.533,381 0.5,382 -0.6,383 2,384 0.171,385 -0.824,386 -0.909,387 -1.715,388 -0.82,389 0.318,390 -0.6,391 2,393 -1,394 -1,395 -2.525,396 -0.9,397 11.9,398 0.496,399 0.583,400 0.024,401 19.5,402 0.813,403 6,404 0.25,405 13.5,406 0.563,407 29.24,408 1.218,409 29.2,410 0.456,411 10.162,412 0.423,413 2.698,414 0.112,415 8.805,416 0.367,417 0.168,418 0.034,419 0.168,420 1.315,421 1.527,422 1.275,423 1.376,424 1.401,425 1.333,426 2.084,427 1.079,428 1.213,429 1.066,430 0.797,431 1.101,432 1.133,433 1.174,434 1.18,435 1.183,436 1.157,437 1.183,438 0.917,439 0.976,440 1,441 0.998,442 1.05,443 1.001,444 0.677,445 0.95,446 0.938,447 0.97,448 1.109,449 0.965,450 0.595,451 0.87,452 0.816,453 0.862,454 0.866,455 0.85,456 0.984,457 0.998,458 0.969,459 0.98,460 0.896,461 0.975,462 1.056,463 1.204,464 1.207,465 1.221,466 1.479,467 1.22,468 5,469 0.091,470 2.667,471 1,472 0.604,473 0.694,474 0.465,475 0.231,476 0.156,477 0.158,478 6937,479 8236,480 1.962,481 62.5,482 22,483 14,488 4,490 1.659,491 1.834,492 3.623,493 -0.946,497 67.081,498 1.048,499 2.217,500 3.586,501 4.406,502 4.687,503 4.749,504 3.126,505 3.626,506 4.544,507 3.837,508 1058.99,509 7.798,510 13529.3,513 384,514 1.476,515 4.503,516 0.2,517 0.007,518 0.081,519 0.031,520 0.022,521 0.032,522 0.023,523 0.011,524 0.008,525 0.011,526 0.426,527 0.67,528 1,529 2.067,530 118.719,531 0.196,532 -0.149,533 0.047,534 -0.051,535 -0.067,536 -0.015,537 -0.199,538 0.128,539 -0.029,540 0.055,541 0.141,542 0.025,543 -0.098,544 -0.092,545 -0.115,546 -0.107,547 -0.092,548 -0.111,549 -0.044,550 -0.008,551 -0.032,552 -0.021,553 -0.058,554 -0.025,555 0.015,556 -0.019,557 -0.004,558 -0.012,559 -0.1,560 -0.009,561 0.123,562 0.043,563 0.105,564 0.077,565 0.059,566 0.088,567 0.045,568 0.027,569 0.05,570 0.041,571 0.16,572 0.045,573 -0.113,574 -0.128,575 -0.15,576 -0.144,577 -0.119,578 -0.148,579 0.532,580 0.42,581 0.5,582 29.813,583 0.966,584 1.134,585 2.592,586 6.718,587 0.607,588 3.258,589 3.526,590 3.664,591 3.784,592 3.97,593 4.06,594 4.174,595 4.06,596 4.111,597 4.263,598 7.515,599 0.536,600 330.64,601 3.258,602 4.762,603 5.557,604 6.399,605 7.217,606 8.068,607 8.899,608 9.756,609 10.595,610 11.455,611 1.6,621 1,623 4,628 2,630 6,638 64,639 6,640 1,641 25,642 65,643 23,644 6,645 2,646 4,648 2,649 2,652 1,655 5,656 1,657 12,659 6,660 17,661 1,670 40,673 1,677 1,678 1,680 1,681 1,693 2,710 2,712 4,715 24,718 11,721 2,724 1,737 13.083,738 12.25,739 5.444,740 4.764,741 1.133,742 1.171,743 0.899,744 7.81,745 7.772,746 3.367,747 3.773,748 4.115,749 4.482,750 4.93,751 5.009,752 5.239,753 5.31,754 5.479,755 5.729,756 0.889,757 32,758 8.983,759 3.558,760 7.167,761 18.736,762 15.672,763 1.667,764 40,765 0.002,768 470.844,769 106.17,774 106.17,775 470.844,777 34.014,778 27.88,779 37.905,781 6.371,783 470.844,785 470.844,786 106.17,790 423.76,791 47.084,793 36.705,794 69.465,797 470.844,799 106.17,801 470.844,802 34.251,803 71.919,806 470.844,808 106.17,810 0.566,811 0.302,812 0.141,813 0.074,814 13,815 6,816 0.138,817 9,819 1,820 3.739,821 170.542,823 12,824 97.284,826 19.506,827 9.61,828 6.55,831 9.632,836 3.121,839 577.014,840 28,846 61.832,847 72.595,848 0.175,849 0.37,850 0.598,851 0.734,852 0.781,853 0.792,854 4.6,855 1,856 5.549,857 2.705,858 4.205,859 4.454,860 1.072,861 6.33,862 4.164,863 5.737,864 1,865 7.101,866 2.275,867 3.892,868 4.159,869 0.931,870 7.516,871 3.735,872 7.012,873 0.822,874 8.78,875 2.275,876 5.826,877 6.386,878 1.148,879 10.457,880 5.705,881 8.324,882 0.206,883 10.542,884 1.518,885 6.365,886 6.874,887 1.241,888 12.477,889 6.103,890 9.676,891 -0.224,892 12.357,893 0.373,894 7.808,895 8.648,896 1.386,897 15.042,898 7.562,899 11.051,900 -0.539,901 14.209,902 -0.459,903 8.715,904 9.471,905 1.521,906 17.337,907 8.334,908 12.445,909 -0.824,910 16.086,911 -1.114,912 9.981,913 11.05,914 1.668,915 19.808,916 9.581,917 3.315,918 -1,919 17.981,920 -1.715,921 11.045,922 12.043,923 1.818,924 22.199,925 10.527,926 2.857,927 11.659,928 19.89,929 -2.525,930 12.249,931 13.52,932 1.973,933 24.649,934 11.685,935 2.435,936 9.053,937 21.808,938 3.693,939 13.38,940 14.611,941 2.132,942 27.076,943 12.713,944 1.887,945 6.922,946 23.734,947 3.312,948 14.567,949 16.028,950 2.294,951 29.524,952 13.834,953 1.812,954 5.152,955 25.666,956 2.932,957 15.728,958 17.184,959 2.46,960 31.965,961 14.9,962 1.448,963 3.854,964 27.604,965 2.031,966 16.911,967 18.562,968 2.628,969 34.415,970 16.008,971 1.269,972 3.607,973 29.545,974 1.848,975 18.087,976 19.762,977 2.798,978 36.863,979 17.093,980 7085,981 7784,982 16.178,983 38.853,984 36.293,985 35.688,986 36.685,987 36.225,988 36.101,989 40.446,990 2.4,991 98.788,992 35.448,993 5.319,994 5.653,995 7.075,996 5.236,997 5.315,998 6.693,999 1.6,1000 18.557,1001 5.065,1002 13.156,1003 1.452,1004 1.428,1005 1.467,1006 1.449,1007 1.444,1008 1.618,1009 0.096,1010 3.952,1011 1.418,1012 4.031,1013 4.079,1014 3.94,1015 3.954,1016 4.733,1017 3.945,1018 3.871,1019 3.929,1020 3.763,1021 3.738,1022 4.428,1023 3.734,1024 3.76,1025 3.825,1026 3.595,1027 3.64,1028 4.214,1029 3.621,1030 3.604,1031 3.68,1032 3.441,1033 3.438,1034 4.102,1035 3.429,1036 3.499,1037 3.576,1038 3.307,1039 3.345,1040 3.99,1041 3.328,1042 3.234,1043 3.321,1044 3.021,1045 3.082,1046 3.719,1047 3.056,1048 3.111,1049 3.206,1050 2.866,1051 2.941,1052 3.674,1053 2.91,1054 2.999,1055 3.084,1056 2.783,1057 2.848,1058 3.474,1059 2.821,1060 0.173,1061 0.146,1062 0.284,1063 0.169,1064 0.133,1065 4.319,1066 0.148,1067 3.653,1068 0.048,1069 7.111,1070 0.466,1071 4.236,1072 0.123,1073 3.315,1074 3.693,1075 1.2,1076 11.659,1077 3.065,1078 2.003,1079 1.968,1080 2.16,1081 2.127,1082 1.543,1083 2.14,1084 1.863,1085 1.807,1086 2.068,1087 2.015,1088 1.41,1089 2.033,1090 1.771,1091 1.709,1092 2.001,1093 1.93,1094 1.253,1095 1.962,1096 1.608,1097 1.533,1098 1.882,1099 1.807,1100 1.153,1101 1.839,1102 1.523,1103 1.446,1104 1.806,1105 1.709,1106 1.015,1107 1.748,1108 1.272,1109 1.191,1110 1.605,1111 1.477,1112 0.84,1113 1.526,1114 1.153,1115 1.064,1116 1.513,1117 1.376,1118 0.825,1119 1.429,1120 1.036,1121 0.956,1122 1.417,1123 1.24,1124 0.651,1125 1.308,1126 3.932,1128 5.209,1130 6.678,1132 8.234,1134 9.837,1135 9.336,1140 15.125,1143 1.657,1146 1.129,1148 34.294,1149 67.081,1150 141.909,1151 229.522,1152 281.961,1153 299.961,1154 303.961,1155 45.728,1156 6.639,1159 12,1160 12.011,1161 2.807,1162 2,1163 49.068,1164 107,1165 126,1166 0.224,1167 216.083,1168 375.24,1169 519.003,1170 6305,1172 17.416,1173 0.726,1174 0.698,1175 17.416,1176 16.742,1177 11.503,1178 0.46,1179 0.424,1180 10.533,1181 11.363,1182 10.115,1183 8.613,1184 11.503,1185 10.592,1186 10.315,1187 0.313,1188 0.278,1189 10.315,1190 9.174,1191 7.521,1192 0.198,1193 0.164,1194 7.521,1195 6.222,1196 5.618,1197 0.131,1198 0.101,1199 5.618,1200 4.359,1201 4.27,1202 0.082,1203 0.059,1204 4.27,1205 3.059,1206 0.368,1207 69.914,1208 0.249,1209 24.426,1210 0.569,1211 116,1212 152.333,1213 118.109,1214 159.003,1215 225.02,1216 150,1217 129,1218 169.69,1219 132.331,1220 179.812,1221 255.12,1222 168,1223 4.222} {0 CHEMBL1927590,1 1.039,2 14.269,3 6.66,4 44.352,5 114.964,6 5.124,7 0.222,8 4.25,9 4.41,10 3.477,11 3.767,12 4.978,13 3.654,14 4.894,15 5.14,16 3.77,17 4.203,18 5.484,19 4.043,20 5.25,21 5.536,22 3.85,23 4.433,24 5.796,25 4.221,26 5.393,27 5.707,28 3.777,29 4.483,30 5.909,31 4.234,32 5.388,33 5.718,34 3.619,35 4.421,36 5.884,37 4.142,38 5.257,39 5.608,40 3.462,41 4.234,42 5.704,43 3.951,44 4.961,45 5.281,46 3.416,47 4.051,48 5.479,49 3.814,50 4.863,51 5.158,52 3.384,53 4.021,54 5.447,55 3.793,56 0.09,57 0.933,58 17.899,59 7.514,60 8.743,61 10.968,62 0.17,63 1.556,64 30.558,65 12.426,66 12.826,67 18.342,68 0.203,69 2.03,70 40.284,71 17.071,72 18.534,73 24.818,74 0.214,75 2.196,76 43.968,77 18.91,78 21.997,79 27.338,80 0.187,81 2.092,82 42.08,83 18.643,84 21.815,85 26.671,86 0.163,87 1.767,88 35.748,89 15.666,90 17.449,91 22.502,92 0.136,93 1.414,94 28.3,95 12.187,96 14.955,97 17.615,98 0.122,99 1.336,100 26.549,101 11.626,102 15.896,103 16.701,104 33,105 35,106 0.167,107 0.359,108 0.607,109 0.755,110 0.81,111 0.819,112 3.302,113 1.295,114 -4.24,115 -4.18,116 -3.95,117 35.7,118 2,119 12,120 1,122 2,123 1,124 1,130 4,131 2,151 20,158 23,159 3,167 23,168 3,176 21,177 1,185 20,186 1,193 16,194 2,200 14,201 2,206 14,207 1,214 14,215 1,216 1160,217 17.576,218 17.576,219 17.576,220 17.576,221 17.576,222 16.877,223 16.884,224 10.939,225 17.711,226 13.264,227 13.264,228 13.264,229 13.264,230 13.264,231 12.206,232 16.242,233 5.057,234 13.51,235 5.09,236 3.899,237 2.359,238 1.443,239 1.1,240 1.043,241 3.97,245 1,246 751,247 4.123,251 199.82,256 2.521,257 6.327,259 1,260 0.83,261 0.83,262 0.7,263 0.5,264 0.83,265 0.5,266 0.74,267 52.5,268 371,269 4.377,270 3.712,271 7.293,272 4.295,273 3.375,274 3.693,275 1.2,276 12.403,277 3.113,278 4.133,279 3.081,280 6.144,281 3.857,282 2.86,283 3.372,285 9.059,286 2.847,287 3.677,288 2.66,289 5.329,290 3.436,291 2.437,292 2.934,294 6.924,295 2.433,296 3.019,297 2.003,298 4.92,299 2.906,300 1.917,301 2.061,303 5.375,304 1.894,305 2.847,306 1.84,307 4.337,308 2.824,309 1.827,310 1.85,312 3.934,313 1.819,314 2.518,315 1.501,316 3.838,317 2.462,318 1.466,319 1.518,321 3.617,322 1.46,323 2.5,324 1.345,325 3.431,326 2.31,327 1.314,328 1.5,330 2.707,331 1.308,332 2.401,333 1.101,334 3.414,335 2.028,336 1.041,337 1.397,339 2.275,340 1.026,341 2.05,342 1,343 3.414,344 2,345 1,346 1.048,347 2.275,348 1,349 2,350 1,351 3.359,352 2,353 1,354 1,355 1.763,356 1,357 1.867,358 0.836,359 2.915,360 1.82,361 0.82,362 0.848,363 1.515,364 0.82,365 1.29,366 0.315,367 2.71,368 1.206,369 0.206,370 0.216,371 0.373,372 0.206,373 0.917,374 -0.095,375 2.39,376 0.773,377 -0.222,378 -0.24,379 -0.451,380 -0.221,381 0.533,382 -0.339,383 2.155,384 0.481,385 -0.499,386 -0.508,387 -0.809,388 -0.485,389 0.5,390 -0.42,391 2,392 0.405,393 -0.569,394 -0.581,395 -1.137,396 -0.555,397 12.9,398 0.496,399 0.522,400 0.02,401 20.5,402 0.788,403 6,404 0.231,405 14.5,406 0.558,407 33.689,408 1.296,409 31.8,410 0.454,411 10.34,412 0.398,413 2.672,414 0.103,415 9.892,416 0.38,417 0.155,418 0.031,419 0.155,420 1.324,421 1.525,422 1.292,423 1.386,424 1.4,425 1.346,426 2.002,427 1.155,428 1.23,429 1.121,430 0.875,431 1.144,432 1.31,433 1.121,434 1.132,435 1.109,436 1.026,437 1.113,438 1.168,439 1.01,440 1.064,441 1.031,442 1.07,443 1.041,444 0.714,445 1.006,446 0.994,447 1.027,448 1.189,449 1.021,450 0.588,451 0.857,452 0.814,453 0.854,454 0.849,455 0.844,456 0.902,457 0.952,458 0.928,459 0.94,460 0.908,461 0.936,462 0.967,463 1.087,464 1.089,465 1.101,466 1.306,467 1.099,468 5,469 0.111,470 3.111,471 1.25,472 0.604,473 0.722,474 0.526,475 0.259,476 0.156,477 0.168,478 8587,479 10090,480 1.965,481 62.9,482 25,483 13,488 6,490 1.682,491 1.846,492 3.744,493 -0.951,497 72.738,498 1.039,499 2.23,500 3.77,501 4.686,502 5.029,503 5.086,504 3.258,505 4.133,506 4.659,507 3.933,508 1278.28,509 8.033,510 17399.4,513 429.05,514 1.412,515 4.625,516 0.185,517 0.007,518 0.089,519 0.035,520 0.019,521 0.028,522 0.023,523 0.011,524 0.007,525 0.009,526 0.412,527 0.5,528 0.88,529 2.173,530 132.281,531 0.188,532 -0.138,533 0.044,534 -0.046,535 -0.055,536 -0.014,537 -0.145,538 0.053,539 -0.04,540 0.009,541 0.073,542 -0.008,543 -0.071,544 -0.039,545 -0.061,546 -0.051,547 -0.02,548 -0.055,549 -0.1,550 -0.003,551 -0.06,552 -0.032,553 -0.048,554 -0.042,555 -0.013,556 -0.055,557 -0.043,558 -0.051,559 -0.135,560 -0.049,561 0.112,562 0.043,563 0.095,564 0.072,565 0.054,566 0.081,567 0.054,568 0.034,569 0.058,570 0.048,571 0.103,572 0.052,573 -0.052,574 -0.044,575 -0.058,576 -0.052,577 -0.04,578 -0.055,579 0.532,580 0.436,581 0.462,582 34.864,583 0.966,584 1.135,585 3.011,586 9.064,587 0.605,588 3.332,589 3.584,590 3.761,591 3.892,592 4.043,593 4.127,594 4.263,595 4.22,596 4.263,597 4.369,598 7.97,599 0.534,600 358.7,601 3.332,602 4.828,603 5.631,604 6.472,605 7.299,606 8.152,607 8.991,608 9.851,609 10.698,610 11.562,611 1.4,621 1,623 4,628 2,630 6,638 70,639 6,640 1,641 27,642 71,643 25,644 6,645 2,646 4,648 2,649 2,652 2,655 5,656 1,657 13,659 6,660 19,661 1,670 44,673 1,677 1,678 1,680 1,681 1,693 2,710 2,712 4,715 26,718 13,721 2,724 1,737 14.083,738 13.25,739 6.069,740 5.389,741 1.124,742 1.165,743 0.899,744 9.189,745 7.932,746 3.434,747 3.818,748 4.178,749 4.537,750 4.958,751 5.035,752 5.27,753 5.368,754 5.548,755 5.799,756 0.9,757 36,758 9.74,759 3.844,760 7.154,761 20.369,762 17.006,763 1.654,764 43,765 0.002,768 517.928,769 111.239,774 111.239,775 517.928,777 34.443,778 32.52,779 37.905,781 6.371,783 517.928,785 517.928,786 111.239,790 447.302,791 70.627,793 50.17,794 61.069,797 517.928,799 111.239,801 517.928,802 38.891,803 72.348,806 517.928,808 111.239,810 0.555,811 0.311,812 0.154,813 0.076,814 13,815 6,816 0.155,817 11,819 1,820 3.917,821 190.675,823 12,824 109.457,826 21.482,827 11.122,828 7.029,831 9.683,836 3.134,839 629.168,840 30,846 67.599,847 79.425,848 0.17,849 0.364,850 0.615,851 0.765,852 0.82,853 0.83,854 4.659,855 1.041,856 5.609,857 2.707,858 4.263,859 4.5,860 1.072,861 6.402,862 4.221,863 5.782,864 1,865 7.166,866 2.275,867 3.892,868 4.159,869 0.931,870 7.636,871 3.735,872 7.053,873 1,874 8.855,875 2.275,876 5.883,877 6.419,878 1.148,879 10.62,880 5.757,881 8.365,882 0.82,883 10.631,884 1.763,885 6.415,886 6.905,887 1.241,888 12.725,889 6.146,890 9.721,891 0.206,892 12.464,893 1.515,894 7.883,895 8.68,896 1.386,897 15.338,898 7.623,899 11.103,900 -0.222,901 14.338,902 0.373,903 8.805,904 9.514,905 1.521,906 17.717,907 8.407,908 12.504,909 -0.499,910 16.238,911 -0.451,912 10.086,913 11.088,914 1.668,915 20.248,916 9.663,917 3.375,918 -0.569,919 18.159,920 -0.809,921 11.172,922 12.091,923 1.818,924 22.715,925 10.628,926 2.86,927 12.403,928 20.094,929 -1.137,930 12.393,931 13.563,932 1.973,933 25.23,934 11.795,935 2.437,936 9.059,937 22.039,938 3.693,939 13.546,940 14.663,941 2.132,942 27.727,943 12.842,944 1.917,945 6.924,946 23.993,947 3.372,948 14.75,949 16.074,950 2.294,951 30.241,952 13.975,953 1.827,954 5.375,955 25.953,956 2.934,957 15.933,958 17.236,959 2.46,960 32.749,961 15.059,962 1.466,963 3.934,964 27.919,965 2.061,966 17.136,967 18.609,968 2.628,969 35.264,970 16.181,971 1.314,972 3.617,973 29.888,974 1.85,975 18.332,976 19.813,977 2.798,978 37.778,979 17.283,980 8785,981 9592,982 17.564,983 42.376,984 38.693,985 38.157,986 39.987,987 38.643,988 38.528,989 42.874,990 2.4,991 104.439,992 37.853,993 5.377,994 5.712,995 7.256,996 5.295,997 5.375,998 6.693,999 1.6,1000 19.56,1001 5.113,1002 13.874,1003 1.433,1004 1.413,1005 1.481,1006 1.431,1007 1.427,1008 1.588,1009 0.089,1010 3.868,1011 1.402,1012 4.037,1013 4.087,1014 3.944,1015 3.956,1016 4.733,1017 3.948,1018 3.885,1019 3.941,1020 3.782,1021 3.751,1022 4.414,1023 3.749,1024 3.765,1025 3.83,1026 3.6,1027 3.645,1028 4.215,1029 3.626,1030 3.644,1031 3.713,1032 3.482,1033 3.502,1034 4.117,1035 3.488,1036 3.516,1037 3.591,1038 3.324,1039 3.383,1040 4.005,1041 3.359,1042 3.382,1043 3.476,1044 3.161,1045 3.197,1046 3.946,1047 3.178,1048 3.23,1049 3.318,1050 3.01,1051 3.069,1052 3.717,1053 3.043,1054 3.111,1055 3.206,1056 2.866,1057 2.941,1058 3.674,1059 2.91,1060 0.162,1061 0.137,1062 0.27,1063 0.159,1064 0.125,1065 4.377,1066 0.137,1067 3.712,1068 0.044,1069 7.293,1070 0.459,1071 4.295,1072 0.115,1073 3.375,1074 3.693,1075 1.2,1076 12.403,1077 3.113,1078 2.004,1079 1.969,1080 2.162,1081 2.133,1082 1.554,1083 2.145,1084 1.874,1085 1.819,1086 2.072,1087 2.022,1088 1.41,1089 2.041,1090 1.775,1091 1.713,1092 2.012,1093 1.935,1094 1.288,1095 1.968,1096 1.661,1097 1.592,1098 1.925,1099 1.833,1100 1.222,1101 1.869,1102 1.55,1103 1.479,1104 1.832,1105 1.725,1106 1.063,1107 1.766,1108 1.402,1109 1.312,1110 1.734,1111 1.635,1112 0.934,1113 1.677,1114 1.267,1115 1.183,1116 1.604,1117 1.476,1118 0.825,1119 1.525,1120 1.153,1121 1.064,1122 1.513,1123 1.376,1124 0.823,1125 1.429,1126 4.007,1128 5.273,1130 6.742,1132 8.305,1134 9.918,1135 9.481,1140 17.805,1143 1.675,1146 1.223,1148 37.348,1149 72.738,1150 156.119,1151 263.923,1152 328.03,1153 352.03,1154 356.03,1155 53.383,1156 6.808,1159 12,1160 12.114,1161 2.807,1162 2,1163 55.662,1164 122,1165 148,1166 0.221,1167 235.268,1168 409.84,1169 565.814,1170 7875,1172 18.83,1173 0.724,1174 0.698,1175 18.83,1176 18.156,1177 12.564,1178 0.465,1179 0.432,1180 11.598,1181 12.427,1182 11.17,1183 9.505,1184 12.564,1185 11.653,1186 10.688,1187 0.305,1188 0.273,1189 10.688,1190 9.546,1191 8.295,1192 0.198,1193 0.167,1194 8.295,1195 6.997,1196 6.382,1197 0.133,1198 0.107,1199 6.382,1200 5.123,1201 4.57,1202 0.082,1203 0.06,1204 4.57,1205 3.359,1206 0.364,1207 76.205,1208 0.239,1209 26.153,1210 0.561,1211 124,1212 160.333,1213 126.442,1214 166.892,1215 237.48,1216 158,1217 139,1218 179.972,1219 142.664,1220 189.16,1221 270.3,1222 178,1223 4.493} {0 CHEMBL1927592,1 1.039,2 13.808,3 6.514,4 42.426,5 114.858,6 5.124,7 0.222,8 4.25,9 4.41,10 3.477,11 3.767,12 4.986,13 3.654,14 4.894,15 5.14,16 3.792,17 4.206,18 5.488,19 4.049,20 5.254,21 5.535,22 3.892,23 4.456,24 5.823,25 4.253,26 5.429,27 5.737,28 3.78,29 4.529,30 5.97,31 4.271,32 5.457,33 5.805,34 3.61,35 4.435,36 5.921,37 4.143,38 5.215,39 5.559,40 3.431,41 4.206,42 5.676,43 3.925,44 4.94,45 5.266,46 3.4,47 4.018,48 5.449,49 3.783,50 4.799,51 5.08,52 3.41,53 4.004,54 5.422,55 3.791,56 0.09,57 0.933,58 17.899,59 7.514,60 8.851,61 10.968,62 0.172,63 1.562,64 30.65,65 12.391,66 12.891,67 18.333,68 0.214,69 2.068,70 40.998,71 17.169,72 20.188,73 25.064,74 0.211,75 2.289,76 45.748,77 20.046,78 24.531,79 28.789,80 0.196,81 2.161,82 43.718,83 19.323,84 22.738,85 27.666,86 0.158,87 1.71,88 34.559,89 15.145,90 17.327,91 21.753,92 0.133,93 1.371,94 27.474,95 11.807,96 14.614,97 17.078,98 0.117,99 1.292,100 25.547,101 11.2,102 16.517,103 16.083,104 39,105 36,106 0.167,107 0.359,108 0.604,109 0.748,110 0.79,111 0.799,112 3.302,113 1.282,114 -4.24,115 -4.18,116 -3.95,117 35.7,118 3,119 11,120 1,122 2,124 2,130 4,131 2,151 19,158 24,159 4,167 23,168 2,176 23,177 1,185 20,186 1,193 15,194 2,200 14,201 2,206 15,207 1,214 14,215 1,216 1140,217 17.231,218 17.231,219 17.231,220 17.231,221 17.231,222 16.532,223 18.465,224 10.491,225 17.378,226 13.251,227 13.251,228 13.251,229 13.251,230 13.251,231 12.194,232 20.185,233 4.911,234 13.505,235 5.09,236 3.898,237 2.378,238 1.482,239 1.225,240 1.168,241 3.967,245 1,246 727,247 4.243,251 199.556,256 2.515,257 7.091,259 1,260 0.83,261 0.83,262 0.7,263 0.5,264 1,265 1,266 0.84,267 52.5,268 359,269 4.484,270 3.813,271 7.616,272 4.404,273 3.483,274 3.693,275 1.2,276 13.28,277 3.212,278 4.136,279 3.083,280 6.146,281 3.863,282 2.865,283 3.48,285 9.063,286 2.858,287 3.681,288 2.662,289 5.365,290 3.441,291 2.442,292 2.937,294 6.927,295 2.439,296 3.095,297 2.101,298 5.304,299 2.999,300 2.012,301 2.134,303 5.773,304 1.985,305 2.852,306 1.845,307 4.4,308 2.839,309 1.84,310 1.854,312 4.088,313 1.839,314 2.617,315 1.572,316 3.846,317 2.514,318 1.52,319 1.624,321 3.629,322 1.51,323 2.5,324 1.396,325 3.809,326 2.367,327 1.371,328 1.5,330 2.751,331 1.365,332 2.427,333 1.197,334 3.421,335 2.057,336 1.082,337 1.425,339 2.637,340 1.053,341 2.108,342 1,343 3.414,344 2,345 1,346 1.103,347 2.275,348 1,349 2,350 1,351 3.414,352 2,353 1,354 1,355 2.275,356 1,357 1.866,358 0.835,359 2.921,360 1.818,361 0.819,362 0.847,363 1.516,364 0.818,365 1.289,366 0.313,367 2.73,368 1.205,369 0.205,370 0.216,371 0.371,372 0.205,373 0.914,374 -0.1,375 2.391,376 0.767,377 -0.228,378 -0.248,379 -0.467,380 -0.227,381 0.502,382 -0.416,383 2.155,384 0.448,385 -0.543,386 -0.562,387 -1.123,388 -0.537,389 0.5,390 -0.6,391 2,392 0.169,393 -0.825,394 -0.909,395 -1.722,396 -0.82,397 12.9,398 0.496,399 0.639,400 0.025,401 20.5,402 0.788,403 6,404 0.231,405 14.5,406 0.558,407 34.595,408 1.331,409 31.8,410 0.454,411 10.355,412 0.398,413 2.675,414 0.103,415 9.771,416 0.376,417 0.194,418 0.031,419 0.194,420 1.324,421 1.525,422 1.292,423 1.386,424 1.481,425 1.346,426 1.933,427 1.167,428 1.194,429 1.109,430 0.811,431 1.123,432 1.604,433 1.086,434 1.168,435 1.09,436 1,437 1.11,438 0.994,439 1.114,440 1.134,441 1.14,442 1.289,443 1.141,444 0.634,445 0.884,446 0.874,447 0.903,448 0.974,449 0.898,450 0.621,451 0.907,452 0.861,453 0.904,454 0.915,455 0.893,456 0.869,457 0.887,458 0.863,459 0.872,460 0.787,461 0.868,462 1.016,463 1.131,464 1.133,465 1.144,466 1.266,467 1.143,468 5.5,469 0.132,470 3.556,471 1.25,472 0.764,473 0.75,474 0.545,475 0.293,476 0.206,477 0.178,478 8487,479 9978,480 1.943,481 62.9,482 22,483 12,488 10,490 1.681,491 1.803,492 3.696,493 -0.951,497 72.738,498 1.039,499 2.231,500 3.751,501 4.647,502 4.904,503 4.961,504 3.277,505 4.133,506 4.66,507 3.908,508 1270.2,509 8.032,510 17213.5,513 429.05,514 1.553,515 4.611,516 0.204,517 0.009,518 0.099,519 0.033,520 0.025,521 0.029,522 0.025,523 0.013,524 0.009,525 0.009,526 0.454,527 0.5,528 1,529 2.111,530 132.024,531 0.188,532 -0.138,533 0.044,534 -0.046,535 -0.122,536 -0.014,537 -0.076,538 0.041,539 -0.004,540 0.022,541 0.113,542 0.013,543 -0.155,544 0.019,545 -0.074,546 -0.027,547 0.031,548 -0.044,549 -0.108,550 -0.1,551 -0.128,552 -0.118,553 -0.179,554 -0.123,555 0.043,556 0.022,557 0.039,558 0.031,559 -0.033,560 0.034,561 0.089,562 0.008,563 0.06,564 0.035,565 -0.001,566 0.044,567 0.089,568 0.084,569 0.111,570 0.102,571 0.164,572 0.106,573 -0.066,574 -0.051,575 -0.07,576 -0.062,577 0.023,578 -0.066,579 0.613,580 0.43,581 0.462,582 33.976,583 0.966,584 1.135,585 3.011,586 9.064,587 0.605,588 3.332,589 3.611,590 3.807,591 3.871,592 4.043,593 4.127,594 4.29,595 4.248,596 4.234,597 4.369,598 7.887,599 0.534,600 358.7,601 3.332,602 4.844,603 5.659,604 6.503,605 7.344,606 8.197,607 9.05,608 9.91,609 10.77,610 11.635,611 1.4,621 1,623 4,628 2,630 6,638 70,639 6,640 1,641 27,642 71,643 25,644 6,645 2,646 4,648 2,649 2,652 3,655 5,656 1,657 13,659 6,660 19,661 1,670 44,673 1,677 1,678 1,680 1,681 1,693 2,710 2,712 5,715 26,718 11,721 3,724 1,737 14.417,738 13.583,739 5.944,740 5.264,741 1.124,742 1.165,743 0.893,744 8.674,745 7.932,746 3.434,747 3.839,748 4.208,749 4.526,750 4.958,751 5.035,752 5.28,753 5.386,754 5.552,755 5.813,756 1,757 38,758 9.735,759 3.858,760 7.167,761 20.309,762 17.027,763 1.667,764 43.333,765 0.002,768 517.928,769 115.424,774 115.424,775 517.928,777 43.268,778 27.88,779 37.905,781 6.371,783 517.928,785 517.928,786 115.424,790 400.217,791 117.711,793 54.355,794 61.069,797 517.928,799 115.424,801 517.928,802 34.251,803 81.173,806 517.928,808 115.424,810 0.571,811 0.326,812 0.142,813 0.071,814 14,815 7,816 0.141,817 10,819 1,820 3.867,821 192.786,823 12,824 110.211,826 21.482,827 10.499,828 6.393,831 9.67,836 3.125,839 633.353,840 30,846 67.599,847 79.425,848 0.17,849 0.364,850 0.612,851 0.758,852 0.8,853 0.809,854 4.677,855 1.082,856 5.659,857 2.751,858 4.29,859 4.522,860 1.072,861 6.482,862 4.247,863 5.818,864 1,865 7.248,866 2.637,867 4.007,868 4.248,869 0.931,870 7.794,871 3.856,872 7.102,873 1,874 8.972,875 2.275,876 5.943,877 6.454,878 1.148,879 10.818,880 5.81,881 8.428,882 0.819,883 10.786,884 2.275,885 6.553,886 6.991,887 1.241,888 13.014,889 6.28,890 9.799,891 0.205,892 12.661,893 1.516,894 8.001,895 8.735,896 1.386,897 15.691,898 7.724,899 11.197,900 -0.228,901 14.577,902 0.371,903 8.985,904 9.607,905 1.521,906 18.155,907 8.571,908 12.616,909 -0.543,910 16.522,911 -0.467,912 10.275,913 11.162,914 1.668,915 20.758,916 9.824,917 3.483,918 -0.825,919 18.488,920 -1.123,921 11.41,922 12.193,923 1.818,924 23.303,925 10.838,926 2.865,927 13.28,928 20.47,929 -1.722,930 12.654,931 13.651,932 1.973,933 25.89,934 12.019,935 2.442,936 9.063,937 22.463,938 3.693,939 13.85,940 14.773,941 2.132,942 28.462,943 13.107,944 2.012,945 6.927,946 24.465,947 3.48,948 15.085,949 16.174,950 2.294,951 31.047,952 14.264,953 1.84,954 5.773,955 26.473,956 2.937,957 16.306,958 17.351,959 2.46,960 33.628,961 15.385,962 1.52,963 4.088,964 28.486,965 2.134,966 17.541,967 18.717,968 2.628,969 36.213,970 16.536,971 1.371,972 3.629,973 30.503,974 1.854,975 18.774,976 19.932,977 2.798,978 38.797,979 17.674,980 8693,981 9494,982 17.277,983 42.376,984 39.444,985 39.002,986 40.774,987 39.371,988 39.279,989 43.625,990 2.4,991 109.172,992 38.567,993 5.484,994 5.813,995 7.58,996 5.404,997 5.483,998 6.693,999 1.6,1000 20.916,1001 5.212,1002 15.329,1003 1.461,1004 1.445,1005 1.51,1006 1.458,1007 1.455,1008 1.616,1009 0.089,1010 4.043,1011 1.428,1012 4.04,1013 4.091,1014 3.947,1015 3.958,1016 4.733,1017 3.949,1018 3.892,1019 3.946,1020 3.794,1021 3.759,1022 4.443,1023 3.758,1024 3.766,1025 3.831,1026 3.601,1027 3.647,1028 4.215,1029 3.627,1030 3.649,1031 3.716,1032 3.492,1033 3.513,1034 4.132,1035 3.5,1036 3.514,1037 3.589,1038 3.323,1039 3.381,1040 4.002,1041 3.357,1042 3.304,1043 3.4,1044 3.085,1045 3.134,1046 3.891,1047 3.112,1048 3.222,1049 3.314,1050 2.986,1051 3.042,1052 3.716,1053 3.016,1054 3.111,1055 3.206,1056 2.866,1057 2.941,1058 3.674,1059 2.91,1060 0.166,1061 0.141,1062 0.282,1063 0.163,1064 0.129,1065 4.484,1066 0.137,1067 3.813,1068 0.044,1069 7.616,1070 0.492,1071 4.404,1072 0.119,1073 3.483,1074 3.693,1075 1.2,1076 13.28,1077 3.212,1078 2.005,1079 1.97,1080 2.164,1081 2.137,1082 1.554,1083 2.148,1084 1.88,1085 1.825,1086 2.074,1087 2.025,1088 1.41,1089 2.043,1090 1.777,1091 1.715,1092 2.014,1093 1.936,1094 1.281,1095 1.969,1096 1.666,1097 1.599,1098 1.924,1099 1.835,1100 1.216,1101 1.869,1102 1.547,1103 1.477,1104 1.827,1105 1.721,1106 1.051,1107 1.762,1108 1.33,1109 1.244,1110 1.678,1111 1.566,1112 0.884,1113 1.612,1114 1.257,1115 1.167,1116 1.602,1117 1.474,1118 0.825,1119 1.523,1120 1.153,1121 1.064,1122 1.513,1123 1.376,1124 0.787,1125 1.429,1126 4.007,1128 5.293,1130 6.783,1132 8.365,1134 9.996,1135 11.876,1140 15.119,1143 2.359,1146 1.184,1148 37.348,1149 72.738,1150 156.199,1151 262.572,1152 325.275,1153 343.275,1154 347.275,1155 54.597,1156 6.808,1159 12,1160 12.184,1161 2.807,1162 2,1163 55.688,1164 121,1165 148,1166 0.224,1167 235.268,1168 409.84,1169 565.814,1170 7807,1172 18.993,1173 0.731,1174 0.705,1175 18.993,1176 18.32,1177 12.447,1178 0.461,1179 0.427,1180 11.483,1181 12.305,1182 10.993,1183 9.363,1184 12.447,1185 11.536,1186 10.925,1187 0.303,1188 0.272,1189 10.925,1190 9.784,1191 8.836,1192 0.201,1193 0.171,1194 8.836,1195 7.538,1196 5.968,1197 0.127,1198 0.1,1199 5.968,1200 4.708,1201 4.533,1202 0.081,1203 0.059,1204 4.533,1205 3.322,1206 0.367,1207 75.469,1208 0.241,1209 26.088,1210 0.569,1211 126,1212 162.333,1213 128.775,1214 169.452,1215 241.28,1216 160,1217 143,1218 184.254,1219 146.664,1220 194.044,1221 276.64,1222 182,1223 4} {0 CHEMBL1927596,1 1.139,2 14.269,3 5.248,4 27.539,5 111.984,6 5.304,7 0.222,8 4.232,9 4.386,10 3.483,11 3.731,12 5.019,13 3.631,14 4.867,15 5.104,16 3.774,17 4.171,18 5.517,19 4.022,20 5.227,21 5.507,22 3.855,23 4.407,24 5.817,25 4.204,26 5.371,27 5.679,28 3.795,29 4.452,30 5.947,31 4.212,32 5.375,33 5.701,34 3.628,35 4.361,36 5.962,37 4.098,38 5.18,39 5.517,40 3.472,41 4.152,42 5.73,43 3.894,44 4.893,45 5.2,46 3.417,47 3.978,48 5.509,49 3.765,50 4.796,51 5.077,52 3.388,53 3.972,54 5.447,55 3.76,56 0.095,57 0.904,58 17.479,59 7.202,60 9.478,61 10.445,62 0.197,63 1.503,64 30.134,65 11.899,66 14.882,67 17.555,68 0.289,69 1.965,70 40.203,71 16.559,72 21.995,73 24.112,74 0.25,75 2.116,76 44.236,77 18.365,78 29.334,79 26.662,80 0.291,81 1.972,82 43.022,83 17.472,84 34.602,85 25.288,86 0.228,87 1.607,88 34.951,89 14.139,90 25.492,91 20.559,92 0.186,93 1.3,94 27.616,95 11.087,96 20.376,97 16.158,98 0.141,99 1.258,100 25.752,101 10.877,102 18.922,103 15.701,104 33,105 35,106 0.185,107 0.4,108 0.647,109 0.771,110 0.814,111 0.824,112 3.302,113 1.251,114 -3.15,115 -3.15,116 -3.02,117 35.3,118 1,119 11,120 1,122 2,123 2,124 1,130 4,131 2,151 19,158 23,159 2,166 1,167 23,168 2,176 19,177 1,183 2,185 16,186 1,191 2,193 13,194 2,199 1,200 12,201 2,205 1,206 11,207 1,213 2,214 10,215 1,216 1160,217 17.576,218 17.576,219 17.576,220 17.576,221 17.576,222 16.877,223 16.193,224 10.939,225 17.752,226 13.264,227 13.264,228 13.264,229 13.264,230 13.264,231 12.206,232 15.612,233 5.057,234 13.573,235 4.949,236 3.617,237 2.099,238 1.327,239 1.063,240 1.004,241 3.97,244 1,245 1,246 751,247 4.123,251 199.82,256 2.521,257 11.315,259 1,260 0.83,261 0.83,262 0.8,263 1,264 0.83,265 0.5,266 0.83,267 53.5,268 371,269 4.377,270 3.714,271 7.293,272 4.295,273 3.375,274 3.693,275 1.2,276 12.403,277 3.112,278 4.133,279 3.081,280 6.144,281 3.857,282 2.86,283 3.372,285 9.059,286 2.846,287 3.677,288 2.661,289 5.329,290 3.436,291 2.437,292 2.934,294 6.924,295 2.433,296 3.019,297 2.017,298 4.92,299 2.905,300 1.917,301 2.061,303 5.375,304 1.892,305 2.847,306 1.842,307 4.337,308 2.823,309 1.827,310 1.85,312 3.934,313 1.817,314 2.518,315 1.596,316 3.838,317 2.46,318 1.466,319 1.518,321 3.617,322 1.457,323 2.5,324 1.454,325 3.431,326 2.303,327 1.314,328 1.5,330 2.707,331 1.298,332 2.401,333 1.306,334 3.414,335 2,336 1.041,337 1.397,339 2.275,340 1,341 2.05,342 1,343 3.414,344 2,345 1,346 1.048,347 2.275,348 1,349 2,350 1,351 3.359,352 1.963,353 1,354 1,355 1.763,356 0.951,357 1.867,358 0.837,359 2.915,360 1.819,361 0.82,362 0.848,363 1.515,364 0.819,365 1.29,366 0.317,367 2.71,368 1.205,369 0.206,370 0.216,371 0.373,372 0.206,373 0.917,374 -0.006,375 2.39,376 0.771,377 -0.222,378 -0.24,379 -0.451,380 -0.22,381 0.533,382 -0.113,383 2.155,384 0.46,385 -0.499,386 -0.508,387 -0.809,388 -0.446,389 0.5,390 -0.417,391 2,392 0.329,393 -0.569,394 -0.581,395 -1.137,396 -0.546,397 12.733,398 0.49,399 0.522,400 0.02,401 20.75,402 0.798,403 6,404 0.231,405 14.75,406 0.567,407 32.441,408 1.248,409 31.967,410 0.47,411 11.589,412 0.446,413 3.004,414 0.116,415 9.56,416 0.368,417 0.144,418 0.031,419 0.157,420 1.104,421 1.515,422 1.239,423 1.37,424 1.071,425 1.321,426 1.301,427 1.156,428 1.215,429 1.122,430 0.813,431 1.148,432 0.778,433 1.097,434 1.111,435 1.107,436 0.674,437 1.121,438 0.643,439 1.065,440 1.021,441 1.087,442 0.558,443 1.075,444 1.11,445 0.935,446 0.976,447 0.956,448 1.323,449 0.962,450 0.897,451 0.876,452 0.847,453 0.871,454 1.048,455 0.862,456 1.139,457 0.933,458 0.955,459 0.919,460 1.194,461 0.927,462 0.724,463 1.144,464 1.106,465 1.161,466 0.757,467 1.155,468 5,469 0.111,470 3.111,471 1.25,472 0.604,473 0.722,474 0.526,475 0.259,476 0.156,477 0.168,478 8587,479 12178,480 1.965,481 61.8,482 22,483 15,486 1,488 4,490 1.682,491 1.846,492 3.744,493 -0.484,497 77.431,498 1.139,499 2.47,500 3.989,501 4.76,502 5.025,503 5.084,504 3.258,505 4.133,506 4.659,507 3.933,508 1278.28,509 8.033,510 17399.4,513 413.947,514 1.412,515 4.625,516 0.185,517 0.007,518 0.089,519 0.035,520 0.019,521 0.028,522 0.023,523 0.011,524 0.007,525 0.009,526 0.412,527 0.67,528 0.88,529 2.173,530 132.281,531 0.023,532 -0.121,533 0.033,534 -0.028,535 -0.068,536 -0.005,537 -0.128,538 0.065,539 -0.063,540 0.018,541 -0.024,542 -0.012,543 0.025,544 -0.007,545 -0.072,546 -0.039,547 -0.03,548 -0.058,549 0.012,550 -0.058,551 -0.048,552 -0.076,553 0.046,554 -0.065,555 -0.045,556 -0.01,557 -0.023,558 -0.005,559 -0.089,560 -0.013,561 0.034,562 0.03,563 0.083,564 0.061,565 -0.013,566 0.072,567 -0.037,568 0.058,569 0.044,570 0.072,571 -0.047,572 0.063,573 -0.034,574 -0.073,575 -0.086,576 -0.085,577 -0.03,578 -0.087,579 1.201,580 3.288,581 0.462,582 34.864,583 0.971,584 1.136,585 1.922,586 3.695,587 0.604,588 3.332,589 3.584,590 3.761,591 3.892,592 4.043,593 4.127,594 4.263,595 4.22,596 4.263,597 4.369,598 7.97,599 0.537,600 360.67,601 3.332,602 4.828,603 5.631,604 6.472,605 7.299,606 8.152,607 8.991,608 9.851,609 10.698,610 11.562,611 1.5,621 1,623 4,628 2,630 6,638 68,639 6,640 1,641 27,642 69,643 24,644 6,645 2,646 4,648 2,649 2,652 2,655 5,656 1,657 12,659 6,660 18,661 1,670 42,671 1,672 1,673 2,677 1,678 1,680 1,681 1,682 1,683 1,693 2,708 1,710 2,712 3,715 26,717 1,718 13,721 2,724 1,731 1.5,732 1,737 14.083,738 12.45,739 6.069,740 4.989,741 1.124,742 1.165,743 0.883,744 9.148,745 7.932,746 3.434,747 3.818,748 4.178,749 4.537,750 4.958,751 5.035,752 5.27,753 5.368,754 5.548,755 5.799,756 0.9,757 36,758 9.728,759 3.875,760 7.308,761 20.07,762 16.762,763 1.808,764 47,765 0.001,768 482.615,769 99.88,772 42.683,774 99.88,775 525.299,777 25.618,778 29.986,779 80.588,781 6.371,783 482.615,785 482.615,786 99.88,787 42.683,790 435.531,791 47.084,792 42.683,793 38.811,794 61.069,797 482.615,798 42.683,799 99.88,801 482.615,802 36.357,803 63.523,805 42.683,806 482.615,807 42.683,808 99.88,810 0.555,811 0.311,812 0.154,813 0.076,814 13,815 6,816 0.159,817 11,819 1,820 3.917,821 190.675,823 12,824 112.211,826 21.443,827 11.092,828 7.006,830 42.683,831 9.536,836 3.057,838 42.683,839 625.178,840 30,846 66.043,847 77.219,848 0.187,849 0.406,850 0.655,851 0.782,852 0.825,853 0.835,854 4.659,855 1.041,856 5.609,857 2.707,858 4.263,859 4.5,860 1.072,861 6.402,862 4.215,863 5.782,864 1,865 7.166,866 2.275,867 3.892,868 4.159,869 0.931,870 7.636,871 3.735,872 7.053,873 1,874 8.855,875 2.275,876 5.883,877 6.419,878 1.148,879 10.62,880 5.753,881 8.365,882 0.82,883 10.631,884 1.763,885 6.415,886 6.905,887 1.241,888 12.725,889 6.146,890 9.721,891 0.206,892 12.464,893 1.515,894 7.883,895 8.68,896 1.386,897 15.338,898 7.619,899 11.103,900 -0.222,901 14.338,902 0.373,903 8.805,904 9.514,905 1.521,906 17.717,907 8.406,908 12.504,909 -0.499,910 16.238,911 -0.451,912 10.086,913 11.088,914 1.668,915 20.248,916 9.661,917 3.375,918 -0.569,919 18.159,920 -0.809,921 11.172,922 12.091,923 1.818,924 22.715,925 10.626,926 2.86,927 12.403,928 20.094,929 -1.137,930 12.393,931 13.563,932 1.973,933 25.23,934 11.792,935 2.437,936 9.059,937 22.039,938 3.693,939 13.546,940 14.663,941 2.132,942 27.727,943 12.839,944 1.917,945 6.924,946 23.993,947 3.372,948 14.75,949 16.074,950 2.294,951 30.241,952 13.971,953 1.827,954 5.375,955 25.953,956 2.934,957 15.933,958 17.236,959 2.46,960 32.749,961 15.055,962 1.466,963 3.934,964 27.919,965 2.061,966 17.136,967 18.609,968 2.628,969 35.264,970 16.176,971 1.314,972 3.617,973 29.888,974 1.85,975 18.332,976 19.813,977 2.798,978 37.778,979 17.278,980 8785,981 10512,982 17.564,983 41.069,984 38.693,985 38.255,986 39.987,987 38.666,988 38.528,989 42.874,990 2.4,991 104.439,992 37.664,993 5.377,994 5.714,995 7.256,996 5.295,997 5.375,998 6.693,999 1.6,1000 19.56,1001 5.112,1002 13.874,1003 1.433,1004 1.417,1005 1.481,1006 1.432,1007 1.427,1008 1.588,1009 0.089,1010 3.868,1011 1.395,1012 4.036,1013 4.085,1014 3.944,1015 3.956,1016 6.456,1017 3.947,1018 3.882,1019 3.937,1020 3.78,1021 3.746,1022 4.732,1023 3.744,1024 3.763,1025 3.828,1026 3.599,1027 3.643,1028 4.386,1029 3.624,1030 3.629,1031 3.698,1032 3.474,1033 3.468,1034 4.214,1035 3.462,1036 3.509,1037 3.583,1038 3.319,1039 3.367,1040 4.087,1041 3.347,1042 3.278,1043 3.35,1044 3.083,1045 3.1,1046 3.986,1047 3.079,1048 3.22,1049 3.307,1050 2.995,1051 2.996,1052 3.718,1053 2.985,1054 3.111,1055 3.206,1056 2.866,1057 2.941,1058 3.674,1059 2.91,1060 0.162,1061 0.138,1062 0.27,1063 0.159,1064 0.125,1065 4.377,1066 0.137,1067 3.714,1068 0.044,1069 7.293,1070 0.459,1071 4.295,1072 0.115,1073 3.375,1074 3.693,1075 1.2,1076 12.403,1077 3.112,1078 2.004,1079 1.969,1080 2.16,1081 2.131,1082 1.551,1083 2.143,1084 1.869,1085 1.814,1086 2.069,1087 2.02,1088 1.41,1089 2.037,1090 1.773,1091 1.711,1092 2.003,1093 1.933,1094 1.267,1095 1.965,1096 1.63,1097 1.561,1098 1.892,1099 1.821,1100 1.199,1101 1.851,1102 1.536,1103 1.465,1104 1.813,1105 1.716,1106 1.041,1107 1.754,1108 1.283,1109 1.208,1110 1.609,1111 1.532,1112 0.863,1113 1.552,1114 1.221,1115 1.136,1116 1.577,1117 1.473,1118 0.825,1119 1.519,1120 1.153,1121 1.064,1122 1.513,1123 1.376,1124 0.75,1125 1.429,1126 4.007,1128 5.273,1130 6.742,1132 8.305,1134 9.918,1135 6.833,1139 9.288,1140 15.86,1143 1.453,1146 0.973,1148 36.536,1149 77.431,1150 167.978,1151 271.244,1152 323.683,1153 341.683,1154 345.683,1155 58.272,1156 6.808,1157 20.23,1158 20.23,1159 12,1160 12.114,1161 2.807,1162 2,1163 55.662,1164 122,1165 148,1166 0.221,1167 229.672,1168 401.33,1169 552.159,1170 7875,1172 18.83,1173 0.724,1174 0.677,1175 18.83,1176 17.604,1177 12.564,1178 0.465,1179 0.417,1180 11.186,1181 12.339,1182 10.821,1183 9.139,1184 12.564,1185 11.262,1186 10.688,1187 0.305,1188 0.265,1189 10.688,1190 9.27,1191 8.295,1192 0.198,1193 0.163,1194 8.295,1195 6.859,1196 6.382,1197 0.133,1198 0.099,1199 6.382,1200 4.766,1201 4.57,1202 0.082,1203 0.058,1204 4.57,1205 3.246,1206 0.364,1207 76.912,1208 0.239,1209 26.153,1210 0.561,1211 124,1212 192.483,1213 127.882,1214 192.822,1215 265.08,1216 182,1217 139,1218 189.487,1219 143.716,1220 197.823,1221 282.62,1222 186,1223 4.155} {0 CHEMBL2158693,1 1.048,2 12.75,3 5.747,4 33.031,5 105.762,6 5.166,7 0.24,8 4.164,9 4.324,10 3.402,11 3.682,12 4.903,13 3.571,14 4.805,15 5.051,16 3.706,17 4.12,18 5.404,19 3.965,20 5.159,21 5.44,22 3.79,23 4.356,24 5.719,25 4.15,26 5.314,27 5.626,28 3.713,29 4.41,30 5.84,31 4.165,32 5.309,33 5.638,34 3.543,35 4.343,36 5.813,37 4.065,38 5.167,39 5.519,40 3.372,41 4.14,42 5.619,43 3.857,44 4.837,45 5.155,46 3.322,47 3.937,48 5.372,49 3.706,50 4.725,51 5.012,52 3.258,53 3.9,54 5.337,55 3.673,56 0.083,57 0.857,58 16.385,59 6.828,60 8.285,61 9.995,62 0.16,63 1.431,64 28.077,65 11.294,66 12,67 16.738,68 0.19,69 1.875,70 37.181,71 15.666,72 17.493,73 22.823,74 0.202,75 2.042,76 40.956,77 17.531,78 21.111,79 25.389,80 0.175,81 1.94,82 39.113,83 17.285,84 21.062,85 24.75,86 0.151,87 1.614,88 32.782,89 14.309,90 16.729,91 20.582,92 0.123,93 1.259,94 25.226,95 10.793,96 14.347,97 15.637,98 0.11,99 1.181,100 23.467,101 10.229,102 15.313,103 14.719,104 31,105 33,106 0.172,107 0.378,108 0.636,109 0.773,110 0.808,111 0.808,112 3.227,113 1.278,114 -2.91,115 -2.92,116 -2.82,117 35.9,118 2,119 10,120 1,122 2,123 1,124 1,130 4,131 2,151 18,158 21,159 3,167 21,168 3,176 19,177 1,185 18,186 1,193 14,194 2,200 12,201 2,206 11,207 1,214 10,215 1,216 878,217 16.162,218 16.162,219 16.162,220 16.162,221 16.162,222 15.463,223 16.884,224 9.939,225 16.297,226 12.264,227 12.264,228 12.264,229 12.264,230 12.264,231 11.206,232 16.242,233 4.557,234 12.51,235 4.952,236 3.698,237 2.126,238 1.297,239 1.078,240 1.078,241 3.891,245 1,246 619,247 3.873,251 179.286,256 2.25,257 6.191,259 1,260 1,261 0.83,262 0.7,263 0.5,264 1,265 1,266 0.86,267 48.5,268 306,269 4.377,270 3.712,271 7.293,272 4.295,273 3.375,274 3.693,275 1.2,276 12.403,277 3.113,278 4.133,279 3.081,280 6.144,281 3.857,282 2.86,283 3.372,285 9.059,286 2.847,287 3.677,288 2.66,289 5.329,290 3.435,291 2.437,292 2.934,294 6.924,295 2.433,296 3.018,297 2.002,298 4.92,299 2.897,300 1.911,301 2.06,303 5.375,304 1.882,305 2.743,306 1.73,307 4.337,308 2.717,309 1.719,310 1.746,312 3.927,313 1.715,314 2.5,315 1.433,316 3.718,317 2.365,318 1.371,319 1.5,321 3.329,322 1.361,323 2.478,324 1.115,325 3.414,326 2.059,327 1.066,328 1.477,330 2.275,331 1.058,332 2.096,333 1.017,334 3.414,335 2,336 1,337 1.086,339 2.275,340 1,341 2.036,342 1,343 3.369,344 2,345 1,346 1.029,347 1.911,348 1,349 2,350 1,351 3.098,352 1.993,353 1,354 1,355 1.753,356 0.993,357 1.347,358 0.371,359 2.732,360 1.253,361 0.254,362 0.269,363 0.447,364 0.254,365 0.906,366 -0.107,367 2.436,368 0.751,369 -0.244,370 -0.264,371 -0.496,372 -0.242,373 0.516,374 -0.342,375 2.176,376 0.454,377 -0.516,378 -0.522,379 -0.82,380 -0.497,381 0.5,382 -0.467,383 2,384 0.367,385 -0.615,386 -0.643,387 -1.294,388 -0.604,389 0.43,390 -0.6,391 2,392 0.052,393 -0.945,394 -1,395 -1.893,396 -0.9,397 11.9,398 0.496,399 0.522,400 0.022,401 19.5,402 0.813,403 6,404 0.25,405 13.5,406 0.563,407 29.975,408 1.249,409 29.2,410 0.456,411 10.047,412 0.419,413 2.672,414 0.111,415 8.892,416 0.371,417 0.168,418 0.034,419 0.168,420 1.315,421 1.527,422 1.275,423 1.376,424 1.401,425 1.333,426 2.031,427 1.125,428 1.207,429 1.087,430 0.854,431 1.112,432 1.33,433 1.132,434 1.145,435 1.12,436 1.033,437 1.125,438 1.172,439 1.01,440 1.069,441 1.033,442 1.071,443 1.045,444 0.699,445 1.005,446 0.993,447 1.029,448 1.194,449 1.023,450 0.568,451 0.845,452 0.798,453 0.841,454 0.843,455 0.83,456 0.911,457 0.948,458 0.922,459 0.934,460 0.865,461 0.93,462 1.02,463 1.156,464 1.159,465 1.172,466 1.395,467 1.171,468 5,469 0.091,470 3.111,471 1.25,472 0.604,473 0.722,474 0.526,475 0.259,476 0.156,477 0.158,478 6537,479 7836,480 1.962,481 62.5,482 21,483 13,488 6,490 1.661,491 1.834,492 3.59,493 -0.946,497 67.081,498 1.048,499 2.302,500 3.874,501 4.703,502 4.922,503 4.922,504 3.126,505 3.585,506 4.544,507 3.761,508 1037.92,509 7.81,510 12894.4,513 384,514 1.476,515 4.503,516 0.2,517 0.007,518 0.094,519 0.037,520 0.02,521 0.03,522 0.025,523 0.012,524 0.008,525 0.011,526 0.444,527 0.67,528 1,529 1.9,530 117.524,531 0.196,532 -0.149,533 0.047,534 -0.051,535 -0.067,536 -0.015,537 -0.145,538 0.081,539 -0.023,540 0.033,541 0.083,542 0.014,543 -0.08,544 -0.044,545 -0.07,546 -0.058,547 -0.031,548 -0.062,549 -0.107,550 -0.004,551 -0.066,552 -0.035,553 -0.055,554 -0.047,555 -0.013,556 -0.059,557 -0.047,558 -0.055,559 -0.143,560 -0.053,561 0.12,562 0.048,563 0.106,564 0.08,565 0.06,566 0.09,567 0.057,568 0.038,569 0.064,570 0.054,571 0.15,572 0.059,573 -0.091,574 -0.099,575 -0.117,576 -0.113,577 -0.079,578 -0.115,579 0.531,580 0.432,581 0.5,582 28.681,583 0.966,584 1.134,585 1.68,586 2.822,587 0.607,588 3.258,589 3.526,590 3.714,591 3.85,592 4.007,593 4.094,594 4.234,595 4.174,596 4.205,597 4.317,598 7.115,599 0.536,600 330.64,601 3.258,602 4.762,603 5.572,604 6.422,605 7.255,606 8.115,607 8.959,608 9.824,609 10.674,610 11.542,611 1.6,621 1,623 4,628 2,630 6,638 64,639 6,640 1,641 25,642 65,643 23,644 6,645 2,646 4,648 2,649 2,652 2,655 5,656 1,657 11,659 6,660 17,661 1,670 40,673 1,677 1,678 1,680 1,681 1,693 2,710 2,712 4,715 24,718 11,721 2,724 1,737 13.083,738 12.25,739 5.569,740 4.889,741 1.12,742 1.168,743 0.899,744 7.81,745 7.774,746 3.367,747 3.773,748 4.147,749 4.515,750 4.944,751 5.022,752 5.26,753 5.349,754 5.518,755 5.765,756 0.889,757 34,758 8.983,759 3.558,760 7.167,761 18.736,762 15.672,763 1.667,764 40,765 0.002,768 470.844,769 106.17,774 106.17,775 470.844,777 34.443,778 27.451,779 37.905,781 6.371,783 470.844,785 470.844,786 106.17,790 400.217,791 70.627,793 45.101,794 61.069,797 470.844,799 106.17,801 470.844,802 33.822,803 72.348,806 470.844,808 106.17,810 0.56,811 0.316,812 0.157,813 0.078,814 13,815 6,816 0.138,817 9,819 1,820 3.671,821 174.249,823 12,824 98.039,826 19.506,827 9.61,828 5.898,831 9.632,836 3.121,839 577.014,840 28,846 61.832,847 72.595,848 0.175,849 0.384,850 0.646,851 0.784,852 0.82,853 0.82,854 4.6,855 1,856 5.565,857 2.275,858 4.205,859 4.454,860 1.072,861 6.375,862 4.161,863 5.737,864 1,865 7.135,866 2.275,867 3.892,868 4.159,869 0.931,870 7.636,871 3.735,872 7.02,873 1,874 8.835,875 1.911,876 5.849,877 6.399,878 1.148,879 10.615,880 5.719,881 8.341,882 0.254,883 10.618,884 1.753,885 6.415,886 6.905,887 1.241,888 12.725,889 6.146,890 9.704,891 -0.244,892 12.457,893 0.447,894 7.867,895 8.674,896 1.386,897 15.338,898 7.603,899 11.091,900 -0.516,901 14.334,902 -0.496,903 8.805,904 9.514,905 1.521,906 17.717,907 8.407,908 12.496,909 -0.615,910 16.236,911 -0.82,912 10.081,913 11.086,914 1.668,915 20.248,916 9.654,917 3.375,918 -0.945,919 18.157,920 -1.294,921 11.172,922 12.091,923 1.818,924 22.715,925 10.628,926 2.86,927 12.403,928 20.093,929 -1.893,930 12.391,931 13.562,932 1.973,933 25.23,934 11.792,935 2.437,936 9.059,937 22.039,938 3.693,939 13.546,940 14.663,941 2.132,942 27.727,943 12.842,944 1.911,945 6.924,946 23.993,947 3.372,948 14.75,949 16.074,950 2.294,951 30.241,952 13.973,953 1.719,954 5.375,955 25.953,956 2.934,957 15.933,958 17.236,959 2.46,960 32.749,961 15.059,962 1.371,963 3.927,964 27.918,965 2.06,966 17.135,967 18.609,968 2.628,969 35.264,970 16.18,971 1.066,972 3.329,973 29.888,974 1.746,975 18.332,976 19.813,977 2.798,978 37.778,979 17.283,980 6719,981 7418,982 16.178,983 38.853,984 36.173,985 35.639,986 37.456,987 36.097,988 35.986,989 40.333,990 2.4,991 99.355,992 35.311,993 5.377,994 5.712,995 7.229,996 5.295,997 5.375,998 6.693,999 1.6,1000 19.56,1001 5.113,1002 12.983,1003 1.447,1004 1.426,1005 1.498,1006 1.444,1007 1.439,1008 1.613,1009 0.096,1010 3.974,1011 1.412,1012 4.036,1013 4.086,1014 3.944,1015 3.956,1016 4.733,1017 3.947,1018 3.885,1019 3.94,1020 3.782,1021 3.751,1022 4.414,1023 3.749,1024 3.726,1025 3.793,1026 3.56,1027 3.599,1028 4.192,1029 3.581,1030 3.622,1031 3.69,1032 3.456,1033 3.483,1034 4.107,1035 3.468,1036 3.411,1037 3.498,1038 3.205,1039 3.26,1040 3.963,1041 3.236,1042 3.348,1043 3.439,1044 3.123,1045 3.163,1046 3.871,1047 3.142,1048 3.111,1049 3.206,1050 2.866,1051 2.941,1052 3.674,1053 2.91,1054 3.048,1055 3.133,1056 2.841,1057 2.899,1058 3.554,1059 2.874,1060 0.175,1061 0.148,1062 0.292,1063 0.172,1064 0.135,1065 4.377,1066 0.148,1067 3.712,1068 0.048,1069 7.293,1070 0.496,1071 4.295,1072 0.125,1073 3.375,1074 3.693,1075 1.2,1076 12.403,1077 3.113,1078 2.004,1079 1.969,1080 2.162,1081 2.133,1082 1.554,1083 2.145,1084 1.873,1085 1.818,1086 2.065,1087 2.021,1088 1.378,1089 2.038,1090 1.737,1091 1.672,1092 1.987,1093 1.905,1094 1.276,1095 1.939,1096 1.642,1097 1.574,1098 1.903,1099 1.81,1100 1.146,1101 1.845,1102 1.439,1103 1.362,1104 1.755,1105 1.651,1106 0.986,1107 1.693,1108 1.374,1109 1.284,1110 1.705,1111 1.592,1112 0.877,1113 1.637,1114 1.153,1115 1.064,1116 1.513,1117 1.376,1118 0.825,1119 1.429,1120 1.085,1121 1.005,1122 1.425,1123 1.291,1124 0.675,1125 1.342,1126 3.932,1128 5.209,1130 6.693,1132 8.27,1134 9.893,1135 9.463,1140 14.884,1143 1.677,1146 1.222,1148 34.294,1149 67.081,1150 147.353,1151 247.922,1152 300.98,1153 314.98,1154 314.98,1155 45.748,1156 6.654,1159 12,1160 12.091,1161 2.807,1162 2,1163 48.929,1164 101,1165 120,1166 0.239,1167 216.083,1168 375.24,1169 519.003,1170 6167,1172 17.416,1173 0.726,1174 0.698,1175 17.416,1176 16.742,1177 11.564,1178 0.463,1179 0.426,1180 10.598,1181 11.427,1182 10.189,1183 8.672,1184 11.564,1185 10.653,1186 9.98,1187 0.302,1188 0.268,1189 9.98,1190 8.839,1191 7.795,1192 0.195,1193 0.162,1194 7.795,1195 6.497,1196 6.029,1197 0.131,1198 0.104,1199 6.029,1200 4.769,1201 4.32,1202 0.08,1203 0.058,1204 4.32,1205 3.109,1206 0.388,1207 70.205,1208 0.249,1209 24.163,1210 0.62,1211 116,1212 152.333,1213 118.442,1214 158.569,1215 225.96,1216 150,1217 131,1218 171.972,1219 134.664,1220 180.837,1221 258.78,1222 170,1223 4.456} {0 CHEMBL2158694,1 1.031,2 15.857,3 7.572,4 57.337,5 124.166,6 5.089,7 0.207,8 4.329,9 4.49,10 3.547,11 3.845,12 5.048,13 3.73,14 4.975,15 5.222,16 3.83,17 4.28,18 5.558,19 4.115,20 5.334,21 5.624,22 3.906,23 4.504,24 5.868,25 4.287,26 5.466,27 5.782,28 3.838,29 4.551,30 5.973,31 4.3,32 5.462,33 5.792,34 3.689,35 4.493,36 5.95,37 4.213,38 5.34,39 5.69,40 3.544,41 4.32,42 5.783,43 4.037,44 5.071,45 5.393,46 3.501,47 4.154,48 5.576,49 3.912,50 4.984,51 5.284,52 3.472,53 4.126,54 5.547,55 3.893,56 0.096,57 1.01,58 19.409,59 8.199,60 9.2,61 11.939,62 0.18,63 1.682,64 33.03,65 13.554,66 13.639,67 19.939,68 0.215,69 2.185,70 43.367,71 18.47,72 19.548,73 26.802,74 0.226,75 2.349,76 46.975,77 20.285,78 22.881,79 29.284,80 0.199,81 2.245,82 45.049,83 20.002,84 22.589,85 28.592,86 0.175,87 1.919,88 38.717,89 17.025,90 18.268,91 24.423,92 0.149,93 1.569,94 31.36,95 13.577,96 15.923,97 19.585,98 0.135,99 1.492,100 29.639,101 13.025,102 16.792,103 18.687,104 35,105 37,106 0.163,107 0.342,108 0.579,109 0.726,110 0.791,111 0.82,112 3.373,113 1.309,114 -4.65,115 -4.57,116 -4.29,117 35.5,118 2,119 14,120 1,122 2,123 1,124 1,130 4,131 2,151 22,158 25,159 3,167 25,168 3,176 23,177 1,185 22,186 1,193 18,194 2,200 16,201 2,206 16,207 1,214 16,215 1,216 1454,217 18.99,218 18.99,219 18.99,220 18.99,221 18.99,222 18.291,223 16.884,224 11.939,225 19.125,226 14.264,227 14.264,228 14.264,229 14.264,230 14.264,231 13.206,232 16.242,233 5.557,234 14.51,235 5.217,236 4.083,237 2.589,238 1.658,239 1.25,240 1.066,241 4.043,245 1,246 899,247 4.359,251 220.799,256 2.724,257 6.419,259 1,260 0.83,261 0.83,262 0.7,263 0.5,264 0.83,265 0.5,266 0.74,267 56.5,268 444,269 4.377,270 3.712,271 7.293,272 4.295,273 3.375,274 3.693,275 1.2,276 12.403,277 3.113,278 4.133,279 3.081,280 6.144,281 3.857,282 2.86,283 3.372,285 9.059,286 2.847,287 3.677,288 2.66,289 5.329,290 3.436,291 2.437,292 2.934,294 6.924,295 2.433,296 3.02,297 2.003,298 4.92,299 2.92,300 1.927,301 2.061,303 5.375,304 1.915,305 2.899,306 1.896,307 4.337,308 2.868,309 1.876,310 1.902,312 3.94,313 1.857,314 2.638,315 1.629,316 3.896,317 2.619,318 1.62,319 1.639,321 3.751,322 1.618,323 2.5,324 1.432,325 3.612,326 2.369,327 1.375,328 1.5,330 3.145,331 1.365,332 2.475,333 1.179,334 3.414,335 2.17,336 1.171,337 1.474,339 2.275,340 1.17,341 2.21,342 1.091,343 3.414,344 2.023,345 1.035,346 1.203,347 2.275,348 1.021,349 2.047,350 1,351 3.37,352 2,353 1,354 1.044,355 2.267,356 1,357 2,358 1,359 3.209,360 2,361 1,362 1,363 1.76,364 1,365 1.725,366 0.708,367 2.808,368 1.684,369 0.685,370 0.704,371 1.268,372 0.684,373 1.252,374 0.275,375 2.677,376 1.174,377 0.174,378 0.182,379 0.321,380 0.174,381 0.926,382 -0.085,383 2.36,384 0.792,385 -0.204,386 -0.219,387 -0.412,388 -0.203,389 0.563,390 -0.334,391 2.137,392 0.521,393 -0.468,394 -0.478,395 -0.797,396 -0.46,397 13.9,398 0.496,399 0.522,400 0.019,401 21.5,402 0.768,403 6,404 0.214,405 15.5,406 0.554,407 37.487,408 1.339,409 34.4,410 0.453,411 10.586,412 0.378,413 2.672,414 0.095,415 10.892,416 0.389,417 0.144,418 0.029,419 0.144,420 1.331,421 1.524,422 1.306,423 1.394,424 1.401,425 1.357,426 1.976,427 1.181,428 1.249,429 1.15,430 0.896,431 1.171,432 1.293,433 1.111,434 1.121,435 1.1,436 1.02,437 1.104,438 1.165,439 1.009,440 1.06,441 1.029,442 1.069,443 1.039,444 0.728,445 1.006,446 0.995,447 1.025,448 1.185,449 1.02,450 0.606,451 0.868,452 0.827,453 0.865,454 0.851,455 0.856,456 0.896,457 0.955,458 0.932,459 0.945,460 0.896,461 0.941,462 0.953,463 1.075,464 1.076,465 1.087,466 1.262,467 1.086,468 5,469 0.111,470 3.111,471 1.25,472 0.604,473 0.722,474 0.526,475 0.259,476 0.156,477 0.168,478 11069,479 12824,480 1.968,481 63.2,482 29,483 13,488 6,490 1.7,491 1.856,492 3.891,493 -0.954,497 78.382,498 1.031,499 2.165,500 3.659,501 4.59,502 4.998,503 5.182,504 3.414,505 4.084,506 4.766,507 4.09,508 1546.15,509 8.24,510 22949.7,513 474.842,514 1.353,515 4.737,516 0.172,517 0.006,518 0.084,519 0.033,520 0.018,521 0.026,522 0.021,523 0.01,524 0.007,525 0.008,526 0.385,527 0.5,528 0.88,529 2.419,530 147.425,531 0.182,532 -0.128,533 0.041,534 -0.043,535 -0.046,536 -0.013,537 -0.147,538 0.03,539 -0.056,540 -0.011,541 0.063,542 -0.027,543 -0.063,544 -0.035,545 -0.054,546 -0.045,547 -0.012,548 -0.048,549 -0.095,550 -0.003,551 -0.055,552 -0.029,553 -0.042,554 -0.039,555 -0.013,556 -0.051,557 -0.041,558 -0.048,559 -0.127,560 -0.045,561 0.105,562 0.04,563 0.087,564 0.066,565 0.051,566 0.074,567 0.052,568 0.031,569 0.053,570 0.044,571 0.101,572 0.047,573 -0.045,574 -0.038,575 -0.049,576 -0.045,577 -0.031,578 -0.047,579 0.532,580 0.442,581 0.429,582 41.199,583 0.965,584 1.135,585 3.416,586 11.671,587 0.604,588 3.401,589 3.638,590 3.807,591 3.932,592 4.078,593 4.159,594 4.29,595 4.248,596 4.29,597 4.407,598 8.847,599 0.532,600 386.76,601 3.401,602 4.89,603 5.687,604 6.521,605 7.341,606 8.188,607 9.022,608 9.878,609 10.721,610 11.582,611 1.3,621 1,623 4,628 2,630 6,638 76,639 6,640 1,641 29,642 77,643 27,644 6,645 2,646 4,648 2,649 2,652 2,655 5,656 1,657 15,659 6,660 21,661 1,670 48,673 1,677 1,678 1,680 1,681 1,693 2,710 2,712 4,715 28,718 15,721 2,724 1,737 15.083,738 14.25,739 6.569,740 5.889,741 1.124,742 1.162,743 0.899,744 10.626,745 8.069,746 3.497,747 3.861,748 4.208,749 4.558,750 4.972,751 5.048,752 5.28,753 5.377,754 5.556,755 5.811,756 0.909,757 38,758 10.496,759 4.13,760 7.143,761 22.002,762 18.339,763 1.643,764 46,765 0.001,768 565.013,769 116.308,774 116.308,775 565.013,777 34.443,778 37.589,779 37.905,781 6.371,783 565.013,785 565.013,786 116.308,790 494.386,791 70.627,793 55.24,794 61.069,797 565.013,799 116.308,801 565.013,802 43.96,803 72.348,806 565.013,808 116.308,810 0.551,811 0.307,812 0.152,813 0.075,814 13,815 6,816 0.169,817 13,819 1,820 4.161,821 207.129,823 12,824 124.606,826 23.461,827 12.682,828 8.224,831 9.716,836 3.142,839 681.321,840 32,846 73.366,847 86.256,848 0.165,849 0.346,850 0.586,851 0.735,852 0.8,853 0.829,854 4.714,855 1.171,856 5.652,857 3.145,858 4.317,859 4.543,860 1.072,861 6.428,862 4.278,863 5.824,864 1.035,865 7.197,866 2.275,867 3.892,868 4.159,869 0.931,870 7.636,871 3.735,872 7.085,873 1,874 8.875,875 2.275,876 5.916,877 6.438,878 1.148,879 10.625,880 5.794,881 8.389,882 1,883 10.643,884 2.267,885 6.415,886 6.905,887 1.241,888 12.725,889 6.146,890 9.737,891 0.685,892 12.471,893 1.76,894 7.898,895 8.687,896 1.386,897 15.339,898 7.642,899 11.114,900 0.174,901 14.342,902 1.268,903 8.805,904 9.514,905 1.521,906 17.717,907 8.407,908 12.512,909 -0.204,910 16.241,911 0.321,912 10.092,913 11.09,914 1.668,915 20.248,916 9.672,917 3.375,918 -0.468,919 18.16,920 -0.412,921 11.172,922 12.091,923 1.818,924 22.715,925 10.628,926 2.86,927 12.403,928 20.094,929 -0.797,930 12.395,931 13.563,932 1.973,933 25.23,934 11.799,935 2.437,936 9.059,937 22.04,938 3.693,939 13.546,940 14.663,941 2.132,942 27.727,943 12.842,944 1.927,945 6.924,946 23.993,947 3.372,948 14.751,949 16.074,950 2.294,951 30.241,952 13.977,953 1.876,954 5.375,955 25.953,956 2.934,957 15.933,958 17.236,959 2.46,960 32.749,961 15.059,962 1.62,963 3.94,964 27.919,965 2.061,966 17.136,967 18.609,968 2.628,969 35.264,970 16.181,971 1.375,972 3.751,973 29.888,974 1.902,975 18.332,976 19.813,977 2.798,978 37.778,979 17.283,980 11275,981 12214,982 18.951,983 45.899,984 41.217,985 40.68,986 42.502,987 41.189,988 41.071,989 45.416,990 2.4,991 109.525,992 40.396,993 5.377,994 5.712,995 7.269,996 5.295,997 5.375,998 6.693,999 1.6,1000 19.56,1001 5.113,1002 14.735,1003 1.421,1004 1.403,1005 1.466,1006 1.42,1007 1.416,1008 1.566,1009 0.083,1010 3.777,1011 1.393,1012 4.038,1013 4.089,1014 3.945,1015 3.957,1016 4.733,1017 3.949,1018 3.885,1019 3.941,1020 3.782,1021 3.751,1022 4.415,1023 3.749,1024 3.791,1025 3.855,1026 3.627,1027 3.675,1028 4.23,1029 3.655,1030 3.664,1031 3.733,1032 3.501,1033 3.524,1034 4.128,1035 3.509,1036 3.588,1037 3.658,1038 3.408,1039 3.457,1040 4.062,1041 3.436,1042 3.408,1043 3.494,1044 3.201,1045 3.258,1046 3.956,1047 3.233,1048 3.358,1049 3.448,1050 3.134,1051 3.173,1052 3.846,1053 3.152,1054 3.133,1055 3.223,1056 2.915,1057 2.976,1058 3.674,1059 2.95,1060 0.151,1061 0.128,1062 0.251,1063 0.148,1064 0.116,1065 4.377,1066 0.127,1067 3.712,1068 0.041,1069 7.293,1070 0.428,1071 4.295,1072 0.107,1073 3.375,1074 3.693,1075 1.2,1076 12.403,1077 3.113,1078 2.004,1079 1.969,1080 2.162,1081 2.133,1082 1.554,1083 2.145,1084 1.875,1085 1.819,1086 2.078,1087 2.023,1088 1.429,1089 2.042,1090 1.8,1091 1.739,1092 2.029,1093 1.955,1094 1.313,1095 1.987,1096 1.682,1097 1.613,1098 1.947,1099 1.856,1100 1.263,1101 1.892,1102 1.616,1103 1.548,1104 1.882,1105 1.783,1106 1.131,1107 1.821,1108 1.438,1109 1.36,1110 1.753,1111 1.648,1112 1.002,1113 1.691,1114 1.382,1115 1.292,1116 1.711,1117 1.599,1118 0.901,1119 1.643,1120 1.172,1121 1.088,1122 1.52,1123 1.386,1124 0.825,1125 1.437,1126 4.078,1128 5.333,1130 6.788,1132 8.339,1134 9.943,1135 9.494,1140 20.752,1143 1.674,1146 1.223,1148 40.401,1149 78.382,1150 164.522,1151 278.102,1152 348.803,1153 379.823,1154 393.823,1155 61.598,1156 6.945,1159 12,1160 12.136,1161 2.807,1162 2,1163 62.778,1164 147,1165 176,1166 0.205,1167 254.453,1168 444.44,1169 612.625,1170 9843,1172 20.244,1173 0.723,1174 0.699,1175 20.244,1176 19.571,1177 13.564,1178 0.468,1179 0.436,1180 12.598,1181 13.427,1182 12.15,1183 10.339,1184 13.564,1185 12.653,1186 11.395,1187 0.308,1188 0.277,1189 11.395,1190 10.254,1191 8.795,1192 0.2,1193 0.17,1194 8.795,1195 7.497,1196 6.736,1197 0.135,1198 0.11,1199 6.736,1200 5.476,1201 4.82,1202 0.083,1203 0.062,1204 4.82,1205 3.609,1206 0.343,1207 82.205,1208 0.23,1209 28.098,1210 0.511,1211 132,1212 168.333,1213 134.442,1214 175.215,1215 249,1216 166,1217 147,1218 187.972,1219 150.664,1220 197.483,1221 281.82,1222 186,1223 4.456} {0 CHEMBL2158695,1 1.028,2 16.655,3 8.028,4 64.454,5 128.767,6 5.073,7 0.2,8 4.366,9 4.528,10 3.58,11 3.882,12 5.081,13 3.766,14 5.014,15 5.26,16 3.858,17 4.316,18 5.593,19 4.149,20 5.373,21 5.666,22 3.934,23 4.538,24 5.902,25 4.319,26 5.5,27 5.817,28 3.867,29 4.583,30 6.004,31 4.331,32 5.496,33 5.827,34 3.723,35 4.527,36 5.981,37 4.247,38 5.379,39 5.729,40 3.583,41 4.361,42 5.82,43 4.077,44 5.122,45 5.445,46 3.542,47 4.201,48 5.622,49 3.958,50 5.039,51 5.342,52 3.514,53 4.175,54 5.593,55 3.939,56 0.099,57 1.048,58 20.163,59 8.541,60 9.428,61 12.425,62 0.185,63 1.744,64 34.264,65 14.117,66 14.04,67 20.737,68 0.222,69 2.263,70 44.903,71 19.167,72 20.047,73 27.791,74 0.232,75 2.426,76 48.477,77 20.972,78 23.323,79 30.256,80 0.205,81 2.321,82 46.534,83 20.682,84 22.982,85 29.554,86 0.181,87 1.996,88 40.202,89 17.704,90 18.682,91 25.384,92 0.155,93 1.646,94 32.886,95 14.27,96 16.402,97 20.568,98 0.142,99 1.57,100 31.177,101 13.723,102 17.276,103 19.677,104 36,105 38,106 0.161,107 0.335,108 0.565,109 0.711,110 0.776,111 0.813,112 3.406,113 1.315,114 -4.84,115 -4.75,116 -4.46,117 35.4,118 2,119 15,120 1,122 2,123 1,124 1,130 4,131 2,151 23,158 26,159 3,167 26,168 3,176 24,177 1,185 23,186 1,193 19,194 2,200 17,201 2,206 17,207 1,214 17,215 1,216 1603,217 19.698,218 19.698,219 19.698,220 19.698,221 19.698,222 18.999,223 16.884,224 12.439,225 19.832,226 14.764,227 14.764,228 14.764,229 14.764,230 14.764,231 13.706,232 16.242,233 5.807,234 15.01,235 5.276,236 4.169,237 2.7,238 1.771,239 1.354,240 1.121,241 4.077,245 1,246 978,247 4.472,251 231.421,256 2.839,257 6.456,259 1,260 0.83,261 0.83,262 0.7,263 0.5,264 0.83,265 0.5,266 0.74,267 58.5,268 483,269 4.377,270 3.712,271 7.293,272 4.295,273 3.375,274 3.693,275 1.2,276 12.403,277 3.113,278 4.133,279 3.081,280 6.144,281 3.857,282 2.86,283 3.372,285 9.059,286 2.847,287 3.677,288 2.66,289 5.329,290 3.436,291 2.437,292 2.934,294 6.924,295 2.433,296 3.02,297 2.003,298 4.92,299 2.929,300 1.934,301 2.061,303 5.375,304 1.926,305 2.916,306 1.914,307 4.337,308 2.878,309 1.888,310 1.918,312 3.942,313 1.866,314 2.693,315 1.685,316 3.914,317 2.678,318 1.679,319 1.695,321 3.792,322 1.677,323 2.5,324 1.456,325 3.675,326 2.399,327 1.404,328 1.5,330 3.288,331 1.397,332 2.488,333 1.284,334 3.414,335 2.27,336 1.272,337 1.487,339 2.533,340 1.269,341 2.322,342 1.1,343 3.414,344 2.028,345 1.041,346 1.318,347 2.275,348 1.026,349 2.049,350 1,351 3.377,352 2,353 1,354 1.047,355 2.275,356 1,357 2,358 1,359 3.317,360 2,361 1,362 1,363 1.765,364 1,365 1.899,366 0.873,367 2.932,368 1.863,369 0.864,370 0.886,371 1.632,372 0.863,373 1.443,374 0.451,375 2.724,376 1.393,377 0.394,378 0.406,379 0.724,380 0.394,381 1.073,382 0.081,383 2.486,384 0.956,385 -0.043,386 -0.045,387 -0.082,388 -0.043,389 0.759,390 -0.224,391 2.263,392 0.676,393 -0.317,394 -0.333,395 -0.636,396 -0.315,397 14.4,398 0.497,399 0.522,400 0.018,401 22,402 0.759,403 6,404 0.207,405 16,406 0.552,407 39.414,408 1.359,409 35.7,410 0.452,411 10.695,412 0.369,413 2.672,414 0.092,415 11.392,416 0.393,417 0.139,418 0.028,419 0.139,420 1.335,421 1.523,422 1.313,423 1.398,424 1.401,425 1.362,426 1.964,427 1.192,428 1.258,429 1.163,430 0.905,431 1.183,432 1.285,433 1.107,434 1.116,435 1.096,436 1.017,437 1.1,438 1.163,439 1.009,440 1.058,441 1.028,442 1.069,443 1.037,444 0.735,445 1.006,446 0.995,447 1.024,448 1.182,449 1.019,450 0.615,451 0.872,452 0.833,453 0.87,454 0.853,455 0.861,456 0.894,457 0.956,458 0.935,459 0.947,460 0.892,461 0.943,462 0.947,463 1.069,464 1.071,465 1.082,466 1.242,467 1.081,468 5,469 0.111,470 3.111,471 1.25,472 0.604,473 0.722,474 0.526,475 0.259,476 0.156,477 0.168,478 12482,479 14381,480 1.969,481 63.3,482 31,483 13,488 6,490 1.709,491 1.861,492 3.96,493 -0.956,497 81.2,498 1.028,499 2.134,500 3.604,501 4.532,502 4.949,503 5.183,504 3.512,505 4.513,506 4.817,507 4.163,508 1690.27,509 8.339,510 26151.5,513 497.999,514 1.326,515 4.79,516 0.167,517 0.006,518 0.082,519 0.032,520 0.017,521 0.025,522 0.02,523 0.01,524 0.006,525 0.008,526 0.372,527 0.5,528 0.88,529 2.533,530 155.123,531 0.178,532 -0.123,533 0.039,534 -0.041,535 -0.042,536 -0.012,537 -0.147,538 0.02,539 -0.062,540 -0.02,541 0.058,542 -0.035,543 -0.06,544 -0.034,545 -0.051,546 -0.043,547 -0.009,548 -0.046,549 -0.092,550 -0.003,551 -0.053,552 -0.028,553 -0.039,554 -0.037,555 -0.013,556 -0.049,557 -0.039,558 -0.046,559 -0.123,560 -0.044,561 0.102,562 0.038,563 0.083,564 0.063,565 0.05,566 0.071,567 0.05,568 0.029,569 0.05,570 0.042,571 0.1,572 0.045,573 -0.042,574 -0.036,575 -0.046,576 -0.042,577 -0.025,578 -0.044,579 0.533,580 0.445,581 0.414,582 44.461,583 0.965,584 1.135,585 3.615,586 13.065,587 0.603,588 3.434,589 3.664,590 3.829,591 3.951,592 4.094,593 4.174,594 4.304,595 4.263,596 4.304,597 4.419,598 9.29,599 0.531,600 400.79,601 3.434,602 4.92,603 5.714,604 6.544,605 7.362,606 8.206,607 9.038,608 9.891,609 10.732,610 11.591,611 1.3,621 1,623 4,628 2,630 6,638 79,639 6,640 1,641 30,642 80,643 28,644 6,645 2,646 4,648 2,649 2,652 2,655 5,656 1,657 16,659 6,660 22,661 1,670 50,673 1,677 1,678 1,680 1,681 1,693 2,710 2,712 4,715 29,718 16,721 2,724 1,737 15.583,738 14.75,739 6.819,740 6.139,741 1.123,742 1.16,743 0.899,744 11.364,745 8.132,746 3.526,747 3.882,748 4.223,749 4.568,750 4.979,751 5.055,752 5.285,753 5.382,754 5.559,755 5.814,756 1,757 39,758 10.874,759 4.273,760 7.138,761 22.819,762 19.006,763 1.638,764 47.5,765 0.001,768 588.555,769 118.843,774 118.843,775 588.555,777 34.443,778 40.124,779 37.905,781 6.371,783 588.555,785 588.555,786 118.843,790 517.928,791 70.627,793 57.774,794 61.069,797 588.555,799 118.843,801 588.555,802 46.495,803 72.348,806 588.555,808 118.843,810 0.549,811 0.305,812 0.151,813 0.074,814 13,815 6,816 0.175,817 14,819 1,820 4.282,821 215.39,823 12,824 130.881,826 24.451,827 13.478,828 8.83,831 9.729,836 3.145,839 707.398,840 33,846 76.25,847 89.671,848 0.163,849 0.339,850 0.572,851 0.719,852 0.785,853 0.822,854 4.741,855 1.272,856 5.673,857 3.288,858 4.344,859 4.564,860 1.072,861 6.441,862 4.306,863 5.844,864 1.041,865 7.212,866 2.533,867 3.892,868 4.159,869 0.931,870 7.636,871 3.735,872 7.101,873 1,874 8.884,875 2.275,876 5.932,877 6.448,878 1.148,879 10.627,880 5.813,881 8.4,882 1,883 10.649,884 2.275,885 6.415,886 6.905,887 1.241,888 12.725,889 6.146,890 9.746,891 0.864,892 12.475,893 1.765,894 7.905,895 8.691,896 1.386,897 15.339,898 7.651,899 11.12,900 0.394,901 14.344,902 1.632,903 8.805,904 9.514,905 1.521,906 17.717,907 8.407,908 12.516,909 -0.043,910 16.242,911 0.724,912 10.095,913 11.091,914 1.668,915 20.248,916 9.677,917 3.375,918 -0.317,919 18.161,920 -0.082,921 11.172,922 12.091,923 1.818,924 22.715,925 10.628,926 2.86,927 12.403,928 20.095,929 -0.636,930 12.396,931 13.564,932 1.973,933 25.23,934 11.801,935 2.437,936 9.059,937 22.04,938 3.693,939 13.546,940 14.663,941 2.132,942 27.727,943 12.842,944 1.934,945 6.924,946 23.993,947 3.372,948 14.751,949 16.074,950 2.294,951 30.241,952 13.977,953 1.888,954 5.375,955 25.953,956 2.934,957 15.933,958 17.236,959 2.46,960 32.749,961 15.059,962 1.679,963 3.942,964 27.919,965 2.061,966 17.136,967 18.609,968 2.628,969 35.264,970 16.182,971 1.404,972 3.792,973 29.888,974 1.918,975 18.332,976 19.813,977 2.798,978 37.778,979 17.283,980 12689,981 13703,982 19.644,983 47.66,984 42.437,985 41.875,986 43.714,987 42.4,988 42.293,989 46.635,990 2.4,991 111.972,992 41.619,993 5.377,994 5.712,995 7.273,996 5.295,997 5.375,998 6.693,999 1.6,1000 19.56,1001 5.113,1002 15.156,1003 1.415,1004 1.396,1005 1.457,1006 1.413,1007 1.41,1008 1.554,1009 0.08,1010 3.732,1011 1.387,1012 4.039,1013 4.089,1014 3.945,1015 3.958,1016 4.733,1017 3.949,1018 3.886,1019 3.941,1020 3.782,1021 3.751,1022 4.415,1023 3.749,1024 3.801,1025 3.864,1026 3.637,1027 3.686,1028 4.236,1029 3.666,1030 3.676,1031 3.746,1032 3.512,1033 3.54,1034 4.134,1035 3.524,1036 3.609,1037 3.678,1038 3.435,1039 3.476,1040 4.081,1041 3.458,1042 3.447,1043 3.526,1044 3.247,1045 3.307,1046 3.961,1047 3.282,1048 3.376,1049 3.47,1050 3.153,1051 3.188,1052 3.894,1053 3.169,1054 3.207,1055 3.295,1056 2.985,1057 3.047,1058 3.674,1059 3.021,1060 0.146,1061 0.124,1062 0.243,1063 0.143,1064 0.112,1065 4.377,1066 0.123,1067 3.712,1068 0.04,1069 7.293,1070 0.413,1071 4.295,1072 0.104,1073 3.375,1074 3.693,1075 1.2,1076 12.403,1077 3.113,1078 2.004,1079 1.969,1080 2.162,1081 2.133,1082 1.554,1083 2.145,1084 1.875,1085 1.819,1086 2.08,1087 2.023,1088 1.436,1089 2.043,1090 1.808,1091 1.747,1092 2.035,1093 1.962,1094 1.33,1095 1.994,1096 1.696,1097 1.629,1098 1.96,1099 1.869,1100 1.271,1101 1.905,1102 1.634,1103 1.566,1104 1.897,1105 1.8,1106 1.163,1107 1.837,1108 1.481,1109 1.407,1110 1.781,1111 1.67,1112 1.035,1113 1.713,1114 1.395,1115 1.305,1116 1.728,1117 1.627,1118 0.925,1119 1.669,1120 1.245,1121 1.161,1122 1.585,1123 1.455,1124 0.825,1125 1.505,1126 4.111,1128 5.361,1130 6.81,1132 8.355,1134 9.955,1135 9.499,1140 22.232,1143 1.673,1146 1.223,1148 41.928,1149 81.2,1150 168.612,1151 284.722,1152 358.067,1153 391.005,1154 409.469,1155 65.91,1156 7.009,1159 12,1160 12.147,1161 2.807,1162 2,1163 66.475,1164 161,1165 190,1166 0.198,1167 264.045,1168 461.74,1169 636.03,1170 10927,1172 20.952,1173 0.722,1174 0.699,1175 20.952,1176 20.278,1177 14.064,1178 0.469,1179 0.438,1180 13.098,1181 13.927,1182 12.64,1183 10.755,1184 14.064,1185 13.153,1186 11.748,1187 0.309,1188 0.279,1189 11.748,1190 10.607,1191 9.045,1192 0.201,1193 0.172,1194 9.045,1195 7.747,1196 6.913,1197 0.136,1198 0.111,1199 6.913,1200 5.653,1201 4.945,1202 0.084,1203 0.063,1204 4.945,1205 3.734,1206 0.333,1207 85.205,1208 0.226,1209 29.053,1210 0.49,1211 136,1212 172.333,1213 138.442,1214 179.377,1215 254.76,1216 170,1217 151,1218 191.972,1219 154.664,1220 201.645,1221 287.58,1222 190,1223 4.824} {0 CHEMBL2158696,1 1.025,2 17.467,3 8.485,4 71.987,5 133.368,6 5.059,7 0.194,8 4.402,9 4.564,10 3.612,11 3.918,12 5.113,13 3.801,14 5.05,15 5.297,16 3.886,17 4.351,18 5.627,19 4.182,20 5.411,21 5.705,22 3.96,23 4.57,24 5.935,25 4.349,26 5.534,27 5.851,28 3.895,29 4.614,30 6.034,31 4.361,32 5.53,33 5.861,34 3.755,35 4.56,36 6.012,37 4.28,38 5.417,39 5.766,40 3.62,41 4.4,42 5.855,43 4.116,44 5.17,45 5.494,46 3.581,47 4.247,48 5.665,49 4.001,50 5.091,51 5.396,52 3.554,53 4.222,54 5.638,55 3.984,56 0.103,57 1.087,58 20.916,59 8.884,60 9.656,61 12.91,62 0.19,63 1.806,64 35.496,65 14.68,66 14.439,67 21.533,68 0.228,69 2.34,70 46.435,71 19.863,72 20.542,73 28.778,74 0.238,75 2.502,76 49.978,77 21.659,78 23.765,79 31.228,80 0.211,81 2.398,82 48.019,83 21.362,84 23.378,85 30.515,86 0.187,87 2.072,88 41.688,89 18.384,90 19.098,91 26.345,92 0.161,93 1.723,94 34.409,95 14.962,96 16.879,97 21.55,98 0.148,99 1.647,100 32.712,101 14.419,102 17.757,103 20.665,104 37,105 39,106 0.159,107 0.328,108 0.552,109 0.696,110 0.762,111 0.801,112 3.439,113 1.321,114 -5.04,115 -4.94,116 -4.63,117 35.4,118 2,119 16,120 1,122 2,123 1,124 1,130 4,131 2,151 24,158 27,159 3,167 27,168 3,176 25,177 1,185 24,186 1,193 20,194 2,200 18,201 2,206 18,207 1,214 18,215 1,216 1752,217 20.405,218 20.405,219 20.405,220 20.405,221 20.405,222 19.706,223 16.884,224 12.939,225 20.539,226 15.264,227 15.264,228 15.264,229 15.264,230 15.264,231 14.206,232 16.242,233 6.057,234 15.51,235 5.333,236 4.252,237 2.808,238 1.885,239 1.464,240 1.208,241 4.11,245 1,246 1062,247 4.583,251 242.12,256 2.933,257 6.487,259 1,260 0.83,261 0.83,262 0.7,263 0.5,264 0.83,265 0.5,266 0.74,267 60.5,268 524,269 4.377,270 3.712,271 7.293,272 4.295,273 3.375,274 3.693,275 1.2,276 12.403,277 3.113,278 4.133,279 3.081,280 6.144,281 3.857,282 2.86,283 3.372,285 9.059,286 2.847,287 3.677,288 2.66,289 5.329,290 3.436,291 2.437,292 2.934,294 6.924,295 2.433,296 3.02,297 2.004,298 4.92,299 2.938,300 1.941,301 2.061,303 5.375,304 1.936,305 2.929,306 1.927,307 4.337,308 2.884,309 1.896,310 1.931,312 3.945,313 1.871,314 2.738,315 1.731,316 3.928,317 2.724,318 1.725,319 1.74,321 3.822,322 1.723,323 2.506,324 1.487,325 3.725,326 2.451,327 1.454,328 1.506,330 3.398,331 1.449,332 2.5,333 1.359,334 3.427,335 2.324,336 1.328,337 1.5,339 2.747,340 1.321,341 2.404,342 1.107,343 3.414,344 2.045,345 1.054,346 1.401,347 2.275,348 1.044,349 2.065,350 1.01,351 3.414,352 2,353 1,354 1.061,355 2.275,356 1,357 2.03,358 1,359 3.362,360 2,361 1,362 1.022,363 1.951,364 1,365 2,366 1,367 3.058,368 1.995,369 1,370 1,371 1.758,372 0.995,373 1.624,374 0.617,375 2.759,376 1.587,377 0.587,378 0.602,379 1.093,380 0.587,381 1.224,382 0.244,383 2.623,384 1.151,385 0.151,386 0.157,387 0.282,388 0.151,389 0.932,390 -0.077,391 2.338,392 0.809,393 -0.188,394 -0.201,395 -0.378,396 -0.187,397 14.9,398 0.497,399 0.522,400 0.017,401 22.5,402 0.75,403 6,404 0.2,405 16.5,406 0.55,407 41.36,408 1.379,409 37,410 0.451,411 10.796,412 0.36,413 2.672,414 0.089,415 11.892,416 0.396,417 0.134,418 0.027,419 0.134,420 1.339,421 1.522,422 1.319,423 1.401,424 1.401,425 1.367,426 1.953,427 1.203,428 1.266,429 1.175,430 0.915,431 1.194,432 1.277,433 1.103,434 1.112,435 1.093,436 1.015,437 1.096,438 1.161,439 1.009,440 1.056,441 1.027,442 1.068,443 1.036,444 0.741,445 1.006,446 0.995,447 1.024,448 1.18,449 1.019,450 0.623,451 0.877,452 0.839,453 0.875,454 0.854,455 0.866,456 0.893,457 0.957,458 0.937,459 0.949,460 0.888,461 0.945,462 0.942,463 1.065,464 1.066,465 1.077,466 1.224,467 1.076,468 5,469 0.111,470 3.111,471 1.25,472 0.604,473 0.722,474 0.526,475 0.259,476 0.156,477 0.168,478 14015,479 16070,480 1.97,481 63.4,482 33,483 13,488 6,490 1.717,491 1.865,492 4.027,493 -0.957,497 84.015,498 1.025,499 2.105,500 3.55,501 4.473,502 4.894,503 5.15,504 3.54,505 4.057,506 4.866,507 4.233,508 1841.21,509 8.435,510 29656.4,513 521.319,514 1.299,515 4.841,516 0.161,517 0.005,518 0.08,519 0.031,520 0.017,521 0.024,522 0.019,523 0.01,524 0.006,525 0.007,526 0.361,527 0.5,528 0.88,529 2.641,530 162.897,531 0.175,532 -0.119,533 0.038,534 -0.04,535 -0.039,536 -0.012,537 -0.148,538 0.01,539 -0.069,540 -0.029,541 0.054,542 -0.043,543 -0.057,544 -0.032,545 -0.048,546 -0.04,547 -0.006,548 -0.043,549 -0.09,550 -0.002,551 -0.051,552 -0.027,553 -0.037,554 -0.036,555 -0.013,556 -0.048,557 -0.038,558 -0.045,559 -0.12,560 -0.043,561 0.099,562 0.036,563 0.08,564 0.06,565 0.048,566 0.068,567 0.049,568 0.028,569 0.048,570 0.04,571 0.099,572 0.043,573 -0.039,574 -0.034,575 -0.043,576 -0.039,577 -0.02,578 -0.041,579 0.533,580 0.447,581 0.4,582 47.92,583 0.965,584 1.135,585 3.81,586 14.516,587 0.603,588 3.466,589 3.689,590 3.85,591 3.97,592 4.111,593 4.19,594 4.317,595 4.277,596 4.317,597 4.431,598 9.734,599 0.53,600 414.82,601 3.466,602 4.949,603 5.74,604 6.567,605 7.382,606 8.223,607 9.053,608 9.904,609 10.743,610 11.601,611 1.2,621 1,623 4,628 2,630 6,638 82,639 6,640 1,641 31,642 83,643 29,644 6,645 2,646 4,648 2,649 2,652 2,655 5,656 1,657 17,659 6,660 23,661 1,670 52,673 1,677 1,678 1,680 1,681 1,693 2,710 2,712 4,715 30,718 17,721 2,724 1,737 16.083,738 15.25,739 7.069,740 6.389,741 1.122,742 1.159,743 0.899,744 12.113,745 8.191,746 3.555,747 3.902,748 4.238,749 4.579,750 4.986,751 5.061,752 5.29,753 5.386,754 5.563,755 5.817,756 0.917,757 40,758 11.252,759 4.416,760 7.133,761 23.635,762 19.672,763 1.633,764 49,765 0.001,768 612.097,769 121.378,774 121.378,775 612.097,777 34.443,778 42.658,779 37.905,781 6.371,783 612.097,785 612.097,786 121.378,790 541.471,791 70.627,793 60.309,794 61.069,797 612.097,799 121.378,801 612.097,802 49.029,803 72.348,806 612.097,808 121.378,810 0.548,811 0.303,812 0.15,813 0.074,814 13,815 6,816 0.181,817 15,819 1,820 4.402,821 223.68,823 12,824 137.207,826 25.442,827 14.283,828 9.476,831 9.74,836 3.147,839 733.475,840 34,846 79.134,847 93.086,848 0.161,849 0.331,850 0.558,851 0.704,852 0.77,853 0.81,854 4.766,855 1.328,856 5.694,857 3.398,858 4.369,859 4.585,860 1.072,861 6.454,862 4.332,863 5.864,864 1.054,865 7.226,866 2.747,867 3.892,868 4.159,869 0.931,870 7.636,871 3.735,872 7.117,873 1,874 8.894,875 2.275,876 5.948,877 6.457,878 1.148,879 10.629,880 5.83,881 8.412,882 1,883 10.655,884 2.275,885 6.415,886 6.905,887 1.241,888 12.725,889 6.146,890 9.754,891 1,892 12.478,893 1.951,894 7.912,895 8.694,896 1.386,897 15.339,898 7.661,899 11.126,900 0.587,901 14.346,902 1.758,903 8.805,904 9.514,905 1.521,906 17.717,907 8.407,908 12.521,909 0.151,910 16.243,911 1.093,912 10.098,913 11.092,914 1.668,915 20.248,916 9.681,917 3.375,918 -0.188,919 18.161,920 0.282,921 11.172,922 12.091,923 1.818,924 22.715,925 10.628,926 2.86,927 12.403,928 20.095,929 -0.378,930 12.397,931 13.564,932 1.973,933 25.23,934 11.803,935 2.437,936 9.059,937 22.04,938 3.693,939 13.546,940 14.663,941 2.132,942 27.727,943 12.842,944 1.941,945 6.924,946 23.993,947 3.372,948 14.752,949 16.074,950 2.294,951 30.241,952 13.978,953 1.896,954 5.375,955 25.953,956 2.934,957 15.933,958 17.236,959 2.46,960 32.749,961 15.059,962 1.725,963 3.945,964 27.919,965 2.061,966 17.136,967 18.609,968 2.628,969 35.264,970 16.182,971 1.454,972 3.822,973 29.888,974 1.931,975 18.332,976 19.813,977 2.798,978 37.778,979 17.283,980 14221,981 15316,982 20.337,983 49.421,984 43.743,985 43.206,986 45.012,987 43.735,988 43.614,989 47.959,990 2.4,991 114.612,992 42.94,993 5.377,994 5.712,995 7.276,996 5.295,997 5.375,998 6.693,999 1.6,1000 19.56,1001 5.113,1002 15.57,1003 1.411,1004 1.394,1005 1.452,1006 1.411,1007 1.407,1008 1.547,1009 0.077,1010 3.697,1011 1.385,1012 4.04,1013 4.09,1014 3.945,1015 3.958,1016 4.733,1017 3.949,1018 3.886,1019 3.941,1020 3.782,1021 3.751,1022 4.415,1023 3.749,1024 3.81,1025 3.872,1026 3.646,1027 3.695,1028 4.241,1029 3.675,1030 3.689,1031 3.759,1032 3.523,1033 3.558,1034 4.142,1035 3.54,1036 3.624,1037 3.693,1038 3.454,1039 3.488,1040 4.093,1041 3.471,1042 3.488,1043 3.565,1044 3.293,1045 3.353,1046 3.969,1047 3.328,1048 3.383,1049 3.477,1050 3.163,1051 3.201,1052 3.929,1053 3.181,1054 3.272,1055 3.359,1056 3.051,1057 3.11,1058 3.732,1059 3.084,1060 0.141,1061 0.12,1062 0.235,1063 0.139,1064 0.109,1065 4.377,1066 0.119,1067 3.712,1068 0.039,1069 7.293,1070 0.4,1071 4.295,1072 0.1,1073 3.375,1074 3.693,1075 1.2,1076 12.403,1077 3.113,1078 2.004,1079 1.969,1080 2.162,1081 2.133,1082 1.554,1083 2.145,1084 1.875,1085 1.819,1086 2.083,1087 2.023,1088 1.441,1089 2.043,1090 1.815,1091 1.755,1092 2.041,1093 1.968,1094 1.347,1095 2,1096 1.712,1097 1.646,1098 1.972,1099 1.881,1100 1.277,1101 1.917,1102 1.645,1103 1.577,1104 1.908,1105 1.813,1106 1.193,1107 1.849,1108 1.522,1109 1.451,1110 1.813,1111 1.702,1112 1.065,1113 1.745,1114 1.403,1115 1.314,1116 1.734,1117 1.635,1118 0.952,1119 1.677,1120 1.309,1121 1.225,1122 1.64,1123 1.514,1124 0.867,1125 1.562,1126 4.143,1128 5.389,1130 6.832,1132 8.372,1134 9.967,1135 9.504,1140 23.714,1143 1.672,1146 1.223,1148 43.455,1149 84.015,1150 172.638,1151 291.093,1152 366.79,1153 401.28,1154 422.3,1155 70.378,1156 7.069,1159 12,1160 12.158,1161 2.807,1162 2,1163 70.264,1164 176,1165 204,1166 0.192,1167 273.637,1168 479.04,1169 659.435,1170 12079,1172 21.659,1173 0.722,1174 0.699,1175 21.659,1176 20.985,1177 14.564,1178 0.47,1179 0.44,1180 13.598,1181 14.427,1182 13.13,1183 11.172,1184 14.564,1185 13.653,1186 12.102,1187 0.31,1188 0.281,1189 12.102,1190 10.961,1191 9.295,1192 0.202,1193 0.174,1194 9.295,1195 7.997,1196 7.089,1197 0.136,1198 0.112,1199 7.089,1200 5.83,1201 5.07,1202 0.085,1203 0.064,1204 5.07,1205 3.859,1206 0.324,1207 88.205,1208 0.222,1209 29.997,1210 0.47,1211 140,1212 176.333,1213 142.442,1214 183.538,1215 260.52,1216 174,1217 155,1218 195.972,1219 158.664,1220 205.807,1221 293.34,1222 194,1223 4.886} {0 CHEMBL2158697,1 1.019,2 19.063,3 9.397,4 88.302,5 142.57,6 5.033,7 0.182,8 4.47,9 4.633,10 3.673,11 3.986,12 5.175,13 3.867,14 5.12,15 5.368,16 3.94,17 4.418,18 5.691,19 4.244,20 5.483,21 5.78,22 4.011,23 4.633,24 5.998,25 4.408,26 5.597,27 5.916,28 3.949,29 4.674,30 6.091,31 4.419,32 5.594,33 5.925,34 3.817,35 4.623,36 6.07,37 4.343,38 5.488,39 5.837,40 3.69,41 4.473,42 5.923,43 4.189,44 5.261,45 5.586,46 3.654,47 4.332,48 5.746,49 4.083,50 5.189,51 5.497,52 3.629,53 4.309,54 5.722,55 4.067,56 0.109,57 1.163,58 22.422,59 9.568,60 10.11,61 13.88,62 0.2,63 1.931,64 37.956,65 15.803,66 15.231,67 23.123,68 0.24,69 2.495,70 49.491,71 21.252,72 21.52,73 30.747,74 0.25,75 2.656,76 52.978,77 23.032,78 24.648,79 33.169,80 0.223,81 2.551,82 50.992,83 22.722,84 24.181,85 32.439,86 0.199,87 2.225,88 44.661,89 19.744,90 19.937,91 28.269,92 0.174,93 1.878,94 37.449,95 16.345,96 17.826,97 23.509,98 0.161,99 1.802,100 35.773,101 15.809,102 18.711,103 22.636,104 39,105 41,106 0.156,107 0.314,108 0.528,109 0.667,110 0.731,111 0.774,112 3.5,113 1.332,114 -5.42,115 -5.3,116 -4.95,117 35.2,118 2,119 18,120 1,122 2,123 1,124 1,130 4,131 2,151 26,158 29,159 3,167 29,168 3,176 27,177 1,185 26,186 1,193 22,194 2,200 20,201 2,206 20,207 1,214 20,215 1,216 2238,217 21.819,218 21.819,219 21.819,220 21.819,221 21.819,222 21.12,223 16.884,224 13.939,225 21.953,226 16.264,227 16.264,228 16.264,229 16.264,230 16.264,231 15.206,232 16.242,233 6.557,234 16.51,235 5.441,236 4.408,237 3.014,238 2.107,239 1.688,240 1.41,241 4.174,245 1,246 1238,247 4.796,251 263.713,256 3.129,257 6.539,259 0.75,260 0.83,261 0.83,262 0.7,263 0.5,264 0.83,265 0.5,266 0.71,267 64.5,268 610,269 4.377,270 3.712,271 7.293,272 4.295,273 3.375,274 3.693,275 1.2,276 12.403,277 3.113,278 4.133,279 3.081,280 6.144,281 3.857,282 2.86,283 3.372,285 9.059,286 2.847,287 3.677,288 2.66,289 5.329,290 3.436,291 2.437,292 2.934,294 6.924,295 2.433,296 3.02,297 2.004,298 4.92,299 2.953,300 1.954,301 2.061,303 5.375,304 1.952,305 2.947,306 1.946,307 4.337,308 2.892,309 1.904,310 1.949,312 3.949,313 1.878,314 2.803,315 1.799,316 3.947,317 2.791,318 1.792,319 1.805,321 3.864,322 1.789,323 2.586,324 1.58,325 3.796,326 2.569,327 1.571,328 1.587,330 3.555,331 1.569,332 2.5,333 1.43,334 3.562,335 2.372,336 1.378,337 1.5,339 3.06,340 1.369,341 2.472,342 1.237,343 3.414,344 2.23,345 1.231,346 1.47,347 2.429,348 1.229,349 2.265,350 1.099,351 3.414,352 2.028,353 1.04,354 1.261,355 2.275,356 1.026,357 2.049,358 1,359 3.37,360 2,361 1,362 1.047,363 2.275,364 1,365 2,366 1,367 3.262,368 2,369 1,370 1,371 1.769,372 1,373 1.919,374 0.897,375 2.944,376 1.89,377 0.89,378 0.909,379 1.701,380 0.89,381 1.549,382 0.547,383 2.735,384 1.514,385 0.514,386 0.526,387 0.962,388 0.514,389 1.202,390 0.22,391 2.565,392 1.133,393 0.134,394 0.138,395 0.251,396 0.133,397 15.9,398 0.497,399 0.522,400 0.016,401 23.5,402 0.734,403 6,404 0.188,405 17.5,406 0.547,407 45.304,408 1.416,409 39.6,410 0.45,411 10.982,412 0.343,413 2.672,414 0.083,415 12.892,416 0.403,417 0.126,418 0.025,419 0.126,420 1.345,421 1.521,422 1.33,423 1.408,424 1.402,425 1.375,426 1.932,427 1.222,428 1.281,429 1.196,430 0.933,431 1.214,432 1.263,433 1.096,434 1.104,435 1.086,436 1.011,437 1.089,438 1.157,439 1.009,440 1.053,441 1.025,442 1.067,443 1.034,444 0.752,445 1.006,446 0.996,447 1.022,448 1.176,449 1.018,450 0.639,451 0.885,452 0.849,453 0.883,454 0.857,455 0.875,456 0.891,457 0.96,458 0.94,459 0.953,460 0.882,461 0.949,462 0.935,463 1.058,464 1.058,465 1.069,466 1.194,467 1.068,468 5,469 0.111,470 3.111,471 1.25,472 0.604,473 0.722,474 0.526,475 0.259,476 0.156,477 0.168,478 17457,479 19860,480 1.972,481 63.6,482 37,483 13,488 6,490 1.733,491 1.873,492 4.151,493 -0.96,497 89.638,498 1.019,499 2.051,500 3.446,501 4.352,502 4.772,503 5.05,504 3.656,505 4.453,506 4.961,507 4.362,508 2163.74,509 8.617,510 37631.7,513 568.43,514 1.249,515 4.938,516 0.152,517 0.005,518 0.076,519 0.03,520 0.016,521 0.023,522 0.018,523 0.009,524 0.006,525 0.007,526 0.34,527 0.5,528 0.88,529 2.844,530 178.653,531 0.169,532 -0.112,533 0.036,534 -0.037,535 -0.033,536 -0.011,537 -0.15,538 -0.007,539 -0.08,540 -0.044,541 0.045,542 -0.057,543 -0.051,544 -0.029,545 -0.043,546 -0.037,547 -0.001,548 -0.039,549 -0.085,550 -0.002,551 -0.047,552 -0.025,553 -0.032,554 -0.033,555 -0.013,556 -0.045,557 -0.036,558 -0.042,559 -0.114,560 -0.04,561 0.093,562 0.034,563 0.074,564 0.056,565 0.046,566 0.063,567 0.047,568 0.026,569 0.045,570 0.037,571 0.096,572 0.04,573 -0.035,574 -0.03,575 -0.038,576 -0.035,577 -0.013,578 -0.036,579 0.534,580 0.451,581 0.375,582 54.805,583 0.965,584 1.135,585 4.193,586 17.581,587 0.602,588 3.526,589 3.738,590 3.892,591 4.007,592 4.143,593 4.22,594 4.344,595 4.304,596 4.344,597 4.454,598 10.627,599 0.529,600 442.88,601 3.526,602 5.004,603 5.79,604 6.611,605 7.421,606 8.257,607 9.082,608 9.929,609 10.765,610 11.619,611 1.1,621 1,623 4,628 2,630 6,638 88,639 6,640 1,641 33,642 89,643 31,644 6,645 2,646 4,648 2,649 2,652 2,655 5,656 1,657 19,659 6,660 25,661 1,670 56,673 1,677 1,678 1,680 1,681 1,693 2,710 2,712 4,715 32,718 19,721 2,724 1,737 17.083,738 16.25,739 7.569,740 6.889,741 1.119,742 1.156,743 0.899,744 13.644,745 8.301,746 3.611,747 3.942,748 4.266,749 4.599,750 4.999,751 5.074,752 5.301,753 5.396,754 5.571,755 5.823,756 0.923,757 42,758 12.008,759 4.701,760 7.125,761 25.268,762 21.006,763 1.625,764 52,768 659.182,769 126.447,774 126.447,775 659.182,777 34.443,778 47.727,779 37.905,781 6.371,783 659.182,785 659.182,786 126.447,790 588.555,791 70.627,793 65.378,794 61.069,797 659.182,799 126.447,801 659.182,802 54.098,803 72.348,806 659.182,808 126.447,810 0.545,811 0.3,812 0.149,813 0.073,814 13,815 6,816 0.191,817 17,819 1,820 4.64,821 240.364,823 12,824 146,826 27.427,827 15.919,828 10.781,831 9.758,836 3.151,839 785.628,840 36,846 84.901,847 99.916,848 0.158,849 0.318,850 0.533,851 0.674,852 0.739,853 0.782,854 4.816,855 1.378,856 5.733,857 3.555,858 4.419,859 4.625,860 1.072,861 6.479,862 4.384,863 5.903,864 1.231,865 7.255,866 3.06,867 3.892,868 4.159,869 0.931,870 7.636,871 3.735,872 7.147,873 1.04,874 8.913,875 2.429,876 5.979,877 6.476,878 1.148,879 10.634,880 5.865,881 8.434,882 1,883 10.666,884 2.275,885 6.415,886 6.905,887 1.241,888 12.725,889 6.146,890 9.77,891 1,892 12.486,893 2.275,894 7.927,895 8.701,896 1.386,897 15.34,898 7.68,899 11.138,900 0.89,901 14.35,902 1.769,903 8.805,904 9.514,905 1.521,906 17.717,907 8.407,908 12.529,909 0.514,910 16.245,911 1.701,912 10.104,913 11.094,914 1.668,915 20.248,916 9.69,917 3.375,918 0.134,919 18.163,920 0.962,921 11.172,922 12.091,923 1.818,924 22.715,925 10.628,926 2.86,927 12.403,928 20.096,929 0.251,930 12.399,931 13.565,932 1.973,933 25.23,934 11.807,935 2.437,936 9.059,937 22.04,938 3.693,939 13.546,940 14.663,941 2.132,942 27.727,943 12.842,944 1.954,945 6.924,946 23.994,947 3.372,948 14.753,949 16.074,950 2.294,951 30.241,952 13.98,953 1.904,954 5.375,955 25.954,956 2.934,957 15.933,958 17.236,959 2.46,960 32.749,961 15.059,962 1.792,963 3.949,964 27.919,965 2.061,966 17.136,967 18.609,968 2.628,969 35.264,970 16.183,971 1.571,972 3.864,973 29.888,974 1.949,975 18.332,976 19.813,977 2.798,978 37.778,979 17.283,980 17655,981 18930,982 21.723,983 52.944,984 46.272,985 45.734,986 47.521,987 46.281,988 46.158,989 50.503,990 2.4,991 119.7,992 45.484,993 5.377,994 5.712,995 7.28,996 5.295,997 5.375,998 6.693,999 1.6,1000 19.56,1001 5.113,1002 16.381,1003 1.402,1004 1.386,1005 1.44,1006 1.402,1007 1.399,1008 1.53,1009 0.073,1010 3.627,1011 1.378,1012 4.041,1013 4.091,1014 3.946,1015 3.959,1016 4.733,1017 3.95,1018 3.886,1019 3.942,1020 3.782,1021 3.752,1022 4.416,1023 3.749,1024 3.823,1025 3.885,1026 3.66,1027 3.71,1028 4.249,1029 3.689,1030 3.716,1031 3.784,1032 3.548,1033 3.59,1034 4.158,1035 3.571,1036 3.643,1037 3.712,1038 3.478,1039 3.504,1040 4.108,1041 3.49,1042 3.554,1043 3.627,1044 3.367,1045 3.422,1046 4.012,1047 3.399,1048 3.407,1049 3.493,1050 3.2,1051 3.257,1052 3.952,1053 3.233,1054 3.362,1055 3.451,1056 3.138,1057 3.178,1058 3.831,1059 3.158,1060 0.133,1061 0.112,1062 0.221,1063 0.13,1064 0.102,1065 4.377,1066 0.112,1067 3.712,1068 0.036,1069 7.293,1070 0.376,1071 4.295,1072 0.094,1073 3.375,1074 3.693,1075 1.2,1076 12.403,1077 3.113,1078 2.004,1079 1.969,1080 2.162,1081 2.133,1082 1.554,1083 2.145,1084 1.875,1085 1.819,1086 2.086,1087 2.024,1088 1.449,1089 2.044,1090 1.826,1091 1.766,1092 2.05,1093 1.977,1094 1.373,1095 2.009,1096 1.741,1097 1.677,1098 1.993,1099 1.905,1100 1.288,1101 1.94,1102 1.661,1103 1.592,1104 1.926,1105 1.832,1106 1.241,1107 1.868,1108 1.586,1109 1.517,1110 1.861,1111 1.756,1112 1.122,1113 1.796,1114 1.437,1115 1.36,1116 1.751,1117 1.646,1118 1.013,1119 1.689,1120 1.386,1121 1.296,1122 1.715,1123 1.603,1124 0.918,1125 1.648,1126 4.205,1128 5.442,1130 6.874,1132 8.404,1134 9.99,1135 9.512,1140 26.685,1143 1.671,1146 1.223,1148 46.508,1149 89.638,1150 180.52,1151 303.217,1152 382.972,1153 419.901,1154 444.391,1155 79.733,1156 7.182,1159 12,1160 12.179,1161 2.807,1162 2,1163 78.11,1164 203,1165 238,1166 0.181,1167 292.822,1168 513.64,1169 706.246,1170 14591,1172 23.073,1173 0.721,1174 0.7,1175 23.073,1176 22.399,1177 15.564,1178 0.472,1179 0.444,1180 14.598,1181 15.427,1182 14.111,1183 12.005,1184 15.564,1185 14.653,1186 12.809,1187 0.312,1188 0.285,1189 12.809,1190 11.668,1191 9.795,1192 0.204,1193 0.177,1194 9.795,1195 8.497,1196 7.443,1197 0.138,1198 0.115,1199 7.443,1200 6.183,1201 5.32,1202 0.086,1203 0.066,1204 5.32,1205 4.109,1206 0.308,1207 94.205,1208 0.215,1209 31.852,1210 0.436,1211 148,1212 184.333,1213 150.442,1214 191.862,1215 272.04,1216 182,1217 163,1218 203.972,1219 166.664,1220 214.13,1221 304.86,1222 202,1223 4.444} {0 CHEMBL2158698,1 1.013,2 20.647,3 10.309,4 106.282,5 151.772,6 5.01,7 0.171,8 4.534,9 4.697,10 3.731,11 4.049,12 5.232,13 3.929,14 5.186,15 5.434,16 3.991,17 4.48,18 5.752,19 4.304,20 5.55,21 5.85,22 4.059,23 4.691,24 6.057,25 4.463,26 5.657,27 5.977,28 4,29 4.73,30 6.145,31 4.474,32 5.654,33 5.986,34 3.875,35 4.682,36 6.125,37 4.402,38 5.555,39 5.902,40 3.756,41 4.542,42 5.987,43 4.258,44 5.343,45 5.67,46 3.722,47 4.41,48 5.822,49 4.159,50 5.277,51 5.588,52 3.699,53 4.389,54 5.799,55 4.144,56 0.115,57 1.24,58 23.925,59 10.252,60 10.563,61 14.849,62 0.21,63 2.056,64 40.411,65 16.924,66 16.014,67 24.711,68 0.253,69 2.649,70 52.537,71 22.638,72 22.485,73 32.711,74 0.262,75 2.809,76 55.976,77 24.403,78 25.532,79 35.109,80 0.235,81 2.704,82 53.965,83 24.083,84 24.994,85 34.363,86 0.211,87 2.378,88 47.635,89 21.104,90 20.783,91 30.193,92 0.186,93 2.032,94 40.481,95 17.725,96 18.765,97 25.465,98 0.173,99 1.957,100 38.824,101 17.195,102 19.655,103 24.601,104 41,105 43,106 0.153,107 0.303,108 0.506,109 0.64,110 0.702,111 0.746,112 3.559,113 1.342,114 -5.8,115 -5.66,116 -5.27,117 35.1,118 2,119 20,120 1,122 2,123 1,124 1,130 4,131 2,151 28,158 31,159 3,167 31,168 3,176 29,177 1,185 28,186 1,193 24,194 2,200 22,201 2,206 22,207 1,214 22,215 1,216 2736,217 23.233,218 23.233,219 23.233,220 23.233,221 23.233,222 22.534,223 16.884,224 14.939,225 23.368,226 17.264,227 17.264,228 17.264,229 17.264,230 17.264,231 16.206,232 16.242,233 7.057,234 17.51,235 5.541,236 4.552,237 3.207,238 2.322,239 1.909,240 1.623,241 4.234,245 1,246 1426,247 5,251 285.528,256 3.374,257 6.58,259 0.75,260 0.5,261 0.83,262 0.7,263 0.5,264 0.83,265 0.5,266 0.66,267 68.5,268 702,269 4.377,270 3.712,271 7.293,272 4.295,273 3.375,274 3.693,275 1.2,276 12.403,277 3.113,278 4.133,279 3.081,280 6.144,281 3.857,282 2.86,283 3.372,285 9.059,286 2.847,287 3.677,288 2.66,289 5.329,290 3.436,291 2.437,292 2.934,294 6.924,295 2.433,296 3.02,297 2.004,298 4.92,299 2.963,300 1.963,301 2.061,303 5.375,304 1.962,305 2.959,306 1.959,307 4.337,308 2.898,309 1.91,310 1.961,312 3.954,313 1.886,314 2.847,315 1.844,316 3.96,317 2.834,318 1.837,319 1.849,321 3.89,322 1.831,323 2.672,324 1.666,325 3.843,326 2.661,327 1.661,328 1.673,330 3.657,331 1.66,332 2.5,333 1.478,334 3.658,335 2.444,336 1.447,337 1.5,339 3.272,340 1.443,341 2.498,342 1.368,343 3.424,344 2.332,345 1.337,346 1.498,347 2.767,348 1.33,349 2.406,350 1.131,351 3.414,352 2.117,353 1.118,354 1.404,355 2.275,356 1.117,357 2.14,358 1.083,359 3.414,360 2.022,361 1.034,362 1.135,363 2.275,364 1.02,365 2.046,366 1,367 3.363,368 2,369 1,370 1.044,371 2.173,372 1,373 2,374 1,375 3.141,376 2,377 1,378 1,379 1.761,380 1,381 1.821,382 0.805,383 2.858,384 1.795,385 0.795,386 0.81,387 1.522,388 0.795,389 1.49,390 0.493,391 2.717,392 1.457,393 0.457,394 0.467,395 0.861,396 0.457,397 16.9,398 0.497,399 0.522,400 0.015,401 24.5,402 0.721,403 6,404 0.176,405 18.5,406 0.544,407 49.314,408 1.45,409 42.2,410 0.449,411 11.147,412 0.328,413 2.672,414 0.079,415 13.892,416 0.409,417 0.118,418 0.024,419 0.118,420 1.351,421 1.519,422 1.34,423 1.413,424 1.404,425 1.383,426 1.913,427 1.239,428 1.294,429 1.215,430 0.95,431 1.232,432 1.251,433 1.09,434 1.097,435 1.08,436 1.008,437 1.083,438 1.153,439 1.009,440 1.05,441 1.024,442 1.066,443 1.032,444 0.763,445 1.006,446 0.996,447 1.021,448 1.171,449 1.017,450 0.653,451 0.892,452 0.858,453 0.89,454 0.86,455 0.882,456 0.891,457 0.962,458 0.944,459 0.956,460 0.878,461 0.952,462 0.93,463 1.051,464 1.052,465 1.062,466 1.17,467 1.061,468 5,469 0.111,470 3.111,471 1.25,472 0.604,473 0.722,474 0.526,475 0.259,476 0.156,477 0.168,478 21427,479 24226,480 1.973,481 63.8,482 41,483 13,488 6,490 1.747,491 1.88,492 4.264,493 -0.963,497 95.253,498 1.013,499 2.002,500 3.348,501 4.232,502 4.645,503 4.932,504 3.763,505 4.676,506 5.049,507 4.481,508 2514.04,509 8.79,510 46989,513 616.131,514 1.202,515 5.029,516 0.143,517 0.004,518 0.072,519 0.028,520 0.015,521 0.021,522 0.017,523 0.008,524 0.005,525 0.006,526 0.321,527 0.5,528 0.63,529 3.03,530 194.663,531 0.163,532 -0.105,533 0.034,534 -0.035,535 -0.028,536 -0.01,537 -0.152,538 -0.023,539 -0.09,540 -0.057,541 0.036,542 -0.069,543 -0.047,544 -0.027,545 -0.039,546 -0.033,547 0.003,548 -0.036,549 -0.081,550 -0.002,551 -0.044,552 -0.023,553 -0.029,554 -0.031,555 -0.013,556 -0.042,557 -0.034,558 -0.039,559 -0.109,560 -0.038,561 0.088,562 0.031,563 0.069,564 0.052,565 0.044,566 0.058,567 0.045,568 0.024,569 0.042,570 0.034,571 0.094,572 0.037,573 -0.031,574 -0.027,575 -0.034,576 -0.031,577 -0.007,578 -0.033,579 0.534,580 0.455,581 0.353,582 62.201,583 0.965,584 1.136,585 4.566,586 20.851,587 0.601,588 3.584,589 3.784,590 3.932,591 4.043,592 4.174,593 4.248,594 4.369,595 4.331,596 4.369,597 4.477,598 11.522,599 0.527,600 470.94,601 3.584,602 5.056,603 5.838,604 6.653,605 7.459,606 8.29,607 9.111,608 9.954,609 10.786,610 11.638,611 1.1,621 1,623 4,628 2,630 6,638 94,639 6,640 1,641 35,642 95,643 33,644 6,645 2,646 4,648 2,649 2,652 2,655 5,656 1,657 21,659 6,660 27,661 1,670 60,673 1,677 1,678 1,680 1,681 1,693 2,710 2,712 4,715 34,718 21,721 2,724 1,737 18.083,738 17.25,739 8.069,740 7.389,741 1.114,742 1.153,743 0.899,744 15.213,745 8.401,746 3.664,747 3.98,748 4.294,749 4.619,750 5.013,751 5.086,752 5.31,753 5.405,754 5.579,755 5.829,756 0.929,757 44,758 12.764,759 4.987,760 7.118,761 26.901,762 22.339,763 1.618,764 55,768 706.266,769 131.516,774 131.516,775 706.266,777 34.443,778 52.796,779 37.905,781 6.371,783 706.266,785 706.266,786 131.516,790 635.64,791 70.627,793 70.447,794 61.069,797 706.266,799 131.516,801 706.266,802 59.167,803 72.348,806 706.266,808 131.516,810 0.542,811 0.297,812 0.147,813 0.073,814 13,815 6,816 0.2,817 19,819 1,820 4.874,821 257.198,823 12,824 160.974,826 29.412,827 17.586,828 12.132,831 9.772,836 3.154,839 837.782,840 38,846 90.668,847 106.747,848 0.155,849 0.305,850 0.511,851 0.646,852 0.709,853 0.752,854 4.864,855 1.447,856 5.771,857 3.657,858 4.466,859 4.663,860 1.072,861 6.503,862 4.432,863 5.941,864 1.337,865 7.283,866 3.272,867 3.892,868 4.159,869 0.931,870 7.636,871 3.735,872 7.177,873 1.118,874 8.932,875 2.767,876 6.009,877 6.494,878 1.148,879 10.639,880 5.898,881 8.456,882 1.034,883 10.678,884 2.275,885 6.415,886 6.905,887 1.241,888 12.725,889 6.146,890 9.786,891 1,892 12.492,893 2.275,894 7.941,895 8.707,896 1.386,897 15.34,898 7.698,899 11.149,900 1,901 14.354,902 2.173,903 8.805,904 9.514,905 1.521,906 17.717,907 8.407,908 12.537,909 0.795,910 16.247,911 1.761,912 10.109,913 11.097,914 1.668,915 20.248,916 9.698,917 3.375,918 0.457,919 18.164,920 1.522,921 11.172,922 12.091,923 1.818,924 22.715,925 10.628,926 2.86,927 12.403,928 20.096,929 0.861,930 12.401,931 13.565,932 1.973,933 25.23,934 11.81,935 2.437,936 9.059,937 22.041,938 3.693,939 13.546,940 14.663,941 2.132,942 27.727,943 12.842,944 1.963,945 6.924,946 23.994,947 3.372,948 14.753,949 16.075,950 2.294,951 30.241,952 13.981,953 1.91,954 5.375,955 25.954,956 2.934,957 15.933,958 17.236,959 2.46,960 32.749,961 15.059,962 1.837,963 3.954,964 27.919,965 2.061,966 17.137,967 18.609,968 2.628,969 35.264,970 16.183,971 1.661,972 3.89,973 29.888,974 1.961,975 18.332,976 19.813,977 2.798,978 37.778,979 17.283,980 21609,981 23088,982 23.109,983 56.467,984 48.803,985 48.264,986 50.033,987 48.828,988 48.703,989 53.047,990 2.4,991 124.79,992 48.028,993 5.377,994 5.712,995 7.283,996 5.295,997 5.375,998 6.693,999 1.6,1000 19.56,1001 5.113,1002 17.171,1003 1.394,1004 1.379,1005 1.43,1006 1.395,1007 1.392,1008 1.516,1009 0.069,1010 3.565,1011 1.372,1012 4.042,1013 4.092,1014 3.947,1015 3.959,1016 4.734,1017 3.951,1018 3.886,1019 3.942,1020 3.782,1021 3.752,1022 4.416,1023 3.75,1024 3.833,1025 3.895,1026 3.67,1027 3.72,1028 4.256,1029 3.7,1030 3.737,1031 3.804,1032 3.57,1033 3.615,1034 4.173,1035 3.596,1036 3.66,1037 3.729,1038 3.495,1039 3.524,1040 4.118,1041 3.507,1042 3.597,1043 3.668,1044 3.419,1045 3.466,1046 4.053,1047 3.445,1048 3.471,1049 3.549,1050 3.273,1051 3.334,1052 3.96,1053 3.309,1054 3.383,1055 3.476,1056 3.163,1057 3.204,1058 3.904,1059 3.183,1060 0.125,1061 0.106,1062 0.208,1063 0.123,1064 0.096,1065 4.377,1066 0.106,1067 3.712,1068 0.034,1069 7.293,1070 0.354,1071 4.295,1072 0.089,1073 3.375,1074 3.693,1075 1.2,1076 12.403,1077 3.113,1078 2.004,1079 1.969,1080 2.162,1081 2.133,1082 1.554,1083 2.145,1084 1.875,1085 1.82,1086 2.089,1087 2.024,1088 1.454,1089 2.044,1090 1.833,1091 1.773,1092 2.057,1093 1.984,1094 1.393,1095 2.016,1096 1.764,1097 1.701,1098 2.009,1099 1.923,1100 1.307,1101 1.959,1102 1.678,1103 1.61,1104 1.944,1105 1.851,1106 1.266,1107 1.887,1108 1.626,1109 1.558,1110 1.892,1111 1.792,1112 1.174,1113 1.83,1114 1.505,1115 1.433,1116 1.8,1117 1.688,1118 1.067,1119 1.731,1120 1.404,1121 1.316,1122 1.735,1123 1.635,1124 0.968,1125 1.676,1126 4.263,1128 5.493,1130 6.915,1132 8.434,1134 10.013,1135 9.518,1140 29.662,1143 1.67,1146 1.224,1148 49.562,1149 95.253,1150 188.209,1151 314.671,1152 397.853,1153 436.673,1154 463.602,1155 89.676,1156 7.287,1159 12,1160 12.2,1161 2.807,1162 2,1163 86.31,1164 234,1165 272,1166 0.171,1167 312.007,1168 548.24,1169 753.056,1170 17387,1172 24.487,1173 0.72,1174 0.7,1175 24.487,1176 23.813,1177 16.564,1178 0.473,1179 0.447,1180 15.598,1181 16.427,1182 15.091,1183 12.839,1184 16.564,1185 15.653,1186 13.516,1187 0.314,1188 0.288,1189 13.516,1190 12.375,1191 10.295,1192 0.206,1193 0.18,1194 10.295,1195 8.997,1196 7.796,1197 0.139,1198 0.117,1199 7.796,1200 6.537,1201 5.57,1202 0.087,1203 0.068,1204 5.57,1205 4.359,1206 0.294,1207 100.205,1208 0.208,1209 33.666,1210 0.408,1211 156,1212 192.333,1213 158.442,1214 200.185,1215 283.56,1216 190,1217 171,1218 211.972,1219 174.664,1220 222.453,1221 316.38,1222 210,1223 4.569} {0 CHEMBL2316958,1 1.628,2 15.976,3 3.928,4 15.432,5 161.627,6 7.55,7 0.435,8 4.435,9 4.557,10 4.052,11 3.971,12 5.466,13 3.938,14 5.019,15 5.209,16 4.438,17 4.388,18 5.995,19 4.332,20 5.245,21 5.448,22 4.491,23 4.529,24 6.21,25 4.442,26 5.334,27 5.57,28 4.497,29 4.558,30 6.298,31 4.45,32 5.306,33 5.528,34 4.502,35 4.565,36 6.366,37 4.441,38 5.267,39 5.487,40 4.475,41 4.57,42 6.143,43 4.45,44 5.268,45 5.482,46 4.474,47 4.531,48 6.242,49 4.433,50 5.293,51 5.515,52 4.436,53 4.508,54 6.243,55 4.401,56 0.045,57 1.194,58 16.326,59 7.06,60 8.977,61 9.218,62 0.407,63 1.967,64 33.938,65 11.732,66 30.497,67 15.718,68 0.57,69 2.352,70 47.104,71 14.849,72 50.925,73 20.356,74 0.472,75 2.442,76 49.86,77 17.211,78 68.611,79 23.496,80 0.924,81 2.435,82 55.763,83 17.926,84 113.11,85 22.707,86 0.432,87 2.406,88 52.497,89 17.607,90 38.832,91 23.013,92 0.471,93 2.339,94 45.603,95 16.095,96 58.733,97 21.611,98 0.704,99 2.377,100 50.453,101 15.347,102 73.391,103 20.86,104 23,105 65,106 0.248,107 0.581,108 0.763,109 0.826,110 0.826,111 0.826,112 3.741,113 0.978,114 -3.68,115 -3.65,116 -3.48,117 39.5,118 2,119 2,123 9,127 1,128 1,130 4,131 2,133 1,134 1,135 1,136 1,138 3,140 1,142 1,150 1,151 8,152 3,153 8,156 2,158 9,160 2,161 15,165 2,167 4,169 1,170 9,174 1,176 4,178 7,179 7,181 2,185 5,187 2,188 7,193 3,195 2,196 9,197 1,199 1,200 2,202 2,203 8,205 1,206 3,208 3,209 3,214 2,216 3679,217 27.963,218 27.963,219 27.963,220 27.963,221 27.963,222 25.194,223 30.627,224 16.538,225 28.726,226 22.779,227 22.779,228 22.779,229 22.779,230 22.779,231 18.395,232 40.253,233 7.925,234 24.012,235 4.62,236 2.442,237 1.244,238 0.836,239 0.836,240 0.836,241 4.456,245 1,246 1451,247 4.301,250 193.977,251 504.146,254 358.922,256 2.516,257 39.201,259 0.75,260 0.5,261 0.83,262 0.7,263 0.5,264 0.83,265 1,266 0.73,267 88.5,268 655,269 4.67,270 3.729,271 6.793,272 4.197,273 3.253,274 4.618,275 1.94,276 11.247,277 3.106,278 4.507,279 3.501,280 6.634,281 4.021,282 3.06,283 4.443,284 1.277,285 10.64,286 2.899,287 3.987,288 3.345,289 6.032,290 3.788,291 2.834,292 3.382,293 0.916,294 8.61,295 2.715,296 3.901,297 3.098,298 5.866,299 3.572,300 2.642,301 3.232,302 0.86,303 8.267,304 2.537,305 3.864,306 3.003,307 5.747,308 3.502,309 2.492,310 3.122,311 0.8,312 7.77,313 2.422,314 3.773,315 2.738,316 5.451,317 3.391,318 2.444,319 3.086,320 0.68,321 7.157,322 2.307,323 3.509,324 2.522,325 5.202,326 3.278,327 2.334,328 2.683,329 0.555,330 6.54,331 2.194,332 3.229,333 2.453,334 4.921,335 2.904,336 1.933,337 2.352,338 0.172,339 5.606,340 1.898,341 3.166,342 2.3,343 4.706,344 2.828,345 1.852,346 2.321,347 4.824,348 1.766,349 3.048,350 2.19,351 4.602,352 2.634,353 1.723,354 2.269,355 4.499,356 1.557,357 3.018,358 1.939,359 4.36,360 2.536,361 1.549,362 2.138,363 4.409,364 1.529,365 2.932,366 1.551,367 4.085,368 2.431,369 1.48,370 2.074,371 3.589,372 1.399,373 2.564,374 1.547,375 4.055,376 2.328,377 1.356,378 1.52,379 3.547,380 1.301,381 2.5,382 1.477,383 3.766,384 2.101,385 1.241,386 1.5,387 2.961,388 1.055,389 2.398,390 1.304,391 3.427,392 1.97,393 1,394 1.386,395 2.275,396 0.968,397 19.633,398 0.479,399 0.989,400 0.024,401 48.75,402 1.189,403 21,404 0.512,405 27.75,406 0.677,407 44.368,408 1.082,409 44.567,410 0.586,411 39.459,412 0.962,413 9.391,414 0.229,415 10.55,416 0.257,417 0.085,419 0.341,420 0.731,421 1.41,422 0.754,423 1.092,424 0.539,425 0.999,426 1.06,427 1.032,428 0.858,429 0.834,430 0.621,431 0.84,432 1.123,433 1.17,434 1.114,435 1.122,436 1.08,437 1.054,438 0.98,439 1.083,440 0.857,441 0.932,442 1.202,443 0.938,444 1,445 0.903,446 1.327,447 1.089,448 1.245,449 0.97,450 0.747,451 1.122,452 1.254,453 1.273,454 0.631,455 1.066,456 1.002,457 1.128,458 0.967,459 1.051,460 1.087,461 1.049,462 1.27,463 1.068,464 1.161,465 1.055,466 1.321,467 1.06,468 8,469 0.244,470 4.222,471 2.694,472 1.701,473 1.497,474 1.02,475 0.646,476 0.46,477 0.268,478 30808,479 77585,480 2.147,481 46.1,482 6,483 23,485 1,486 1,487 4,490 1.805,491 2.033,492 3.889,493 -0.352,497 123.704,498 1.628,499 3.805,500 5.004,501 5.412,502 5.412,503 5.412,504 3.364,505 5.016,506 5.322,507 4.142,508 3396.23,509 9.399,510 61414.9,513 474.842,514 1.325,515 5.3,516 0.174,517 0.006,518 0.065,519 0.041,520 0.026,521 0.023,522 0.016,523 0.01,524 0.008,525 0.005,526 0.375,527 0.33,528 0.75,529 1.242,530 235.341,531 0.018,532 -0.197,533 0.084,534 -0.053,535 0.008,536 -0.01,537 -0.06,538 0.098,539 0.087,540 0.15,541 0.024,542 0.114,543 -0.097,544 -0.096,545 -0.08,546 -0.085,547 -0.101,548 -0.078,549 -0.043,550 -0.093,551 0.109,552 0.053,553 -0.038,554 0.054,555 0.079,556 0.159,557 -0.075,558 0.062,559 0.052,560 0.028,561 0.001,562 -0.05,563 -0.066,564 -0.108,565 -0.022,566 -0.034,567 -0.026,568 -0.095,569 -0.007,570 -0.055,571 -0.061,572 -0.067,573 -0.158,574 -0.017,575 -0.112,576 -0.049,577 -0.166,578 -0.099,579 1.647,580 5.674,581 0.732,582 59.797,583 1.002,584 1.13,585 2.453,586 6.019,587 0.667,588 3.85,589 4.19,590 4.477,591 4.787,592 5.024,593 5.187,594 5.438,595 5.642,596 5.793,597 5.984,598 9.352,599 0.63,600 573.79,601 3.85,602 5.407,603 6.267,604 7.157,605 8.036,606 8.934,607 9.825,608 10.728,609 11.626,610 12.534,611 9.2,614 1,616 1,617 1,618 1,620 3,622 4,623 5,624 3,625 1,627 1,628 4,630 20,634 1,638 76,639 23,640 1,641 46,642 81,643 30,644 13,645 3,646 3,647 3,648 6,649 8,652 2,657 2,659 17,660 13,662 3,664 2,665 1,667 3,670 35,671 9,672 1,673 11,674 1,677 7,681 0.667,682 3,687 1,688 1,692 2,693 4,696 2,699 1,701 1,702 1,703 1,706 1,709 1,710 4,711 1,712 2,715 41,718 11,720 1,722 3,727 1,731 3.9,734 2,735 1,737 20.167,738 14.367,739 8.861,740 4.756,741 4.042,742 1.447,743 1.006,744 8.542,745 13.085,746 4.094,747 4.696,748 5.295,749 5.936,750 6.46,751 6.928,752 7.48,753 7.998,754 8.356,755 8.83,756 1,757 65,758 15.258,759 6.555,760 7.638,761 29.674,762 24.952,763 2.138,764 87.667,768 400.217,769 164.181,770 76.27,772 61.29,773 31.278,774 132.903,775 461.507,776 76.27,777 17.65,778 32.118,779 47.381,780 133.133,781 45.375,782 6.576,783 419.724,785 400.217,786 209.173,787 61.29,788 31.278,790 402.545,791 50.29,792 11,793 80.747,794 66.388,795 59.71,796 31.278,797 400.217,798 137.56,799 164.181,801 400.217,802 90.102,803 83.452,804 16.663,805 111.524,806 400.217,807 137.56,808 164.181,810 0.582,811 0.333,812 0.186,813 0.097,814 32,815 14,816 0.099,817 8,818 2,819 1.133,820 5.104,821 423.265,822 0.133,823 30,824 206.905,825 1,826 28.11,827 12.458,828 6.414,829 4.012,830 120.897,831 10.081,832 14.354,833 3.045,835 1.752,836 3.854,838 16.663,839 701.958,840 59,842 24.638,843 1.617,845 1.047,846 76.141,847 85.849,848 0.261,849 0.609,850 0.801,851 0.866,852 0.866,853 0.866,854 5.352,855 1.933,856 6.252,857 6.54,858 4.875,859 5.384,860 2.761,861 7.071,862 4.776,863 6.552,864 1.852,865 7.81,866 5.606,867 4.443,868 5.247,869 1.803,870 7.966,871 4.314,872 7.862,873 1.723,874 9.467,875 4.824,876 6.472,877 7.604,878 3.322,879 11.091,880 6.281,881 9.208,882 1.549,883 11.184,884 4.499,885 6.868,886 8.353,887 3.164,888 12.845,889 6.64,890 10.589,891 1.48,892 12.941,893 4.409,894 8.355,895 10.19,896 4.29,897 15.483,898 8.072,899 11.996,900 1.356,901 14.727,902 3.589,903 9.139,904 11.356,905 4.546,906 17.6,907 8.813,908 13.423,909 1.241,910 16.533,911 3.547,912 10.409,913 12.993,914 5.451,915 20.074,916 10.032,917 3.253,918 1,919 18.356,920 2.961,921 11.381,922 14.354,923 5.913,924 22.349,925 10.957,926 3.06,927 11.247,928 20.192,929 2.275,930 12.565,931 15.915,932 6.7,933 24.769,934 12.093,935 2.834,936 10.64,937 22.038,938 4.618,939 13.627,940 17.362,941 7.263,942 27.113,943 13.107,944 2.642,945 8.61,946 23.893,947 4.443,948 14.781,949 18.894,950 7.989,951 29.517,952 14.213,953 2.492,954 8.267,955 25.755,956 3.382,957 15.888,958 20.38,959 8.603,960 31.892,961 15.271,962 2.444,963 7.77,964 27.623,965 3.232,966 17.035,967 21.901,968 9.298,969 34.293,970 16.37,971 2.334,972 7.157,973 29.497,974 3.122,975 18.165,976 23.403,977 9.936,978 36.683,979 17.452,980 28706,981 45726,982 31.323,983 50.711,984 70.047,985 71.091,986 70.638,987 69.316,988 69.338,989 88.158,990 14.404,991 200.312,992 65.895,993 5.67,994 5.729,995 6.595,996 5.338,997 5.253,998 7.618,999 3.348,1000 18.517,1001 5.106,1002 18.799,1003 1.523,1004 1.545,1005 1.536,1006 1.507,1007 1.507,1008 1.916,1009 0.313,1010 4.355,1011 1.432,1012 4.154,1013 4.187,1014 4.341,1015 4.092,1016 7.432,1017 4.073,1018 4.011,1019 4.043,1020 4.056,1021 3.956,1022 7.423,1023 3.934,1024 3.872,1025 3.927,1026 3.788,1027 3.713,1028 5.13,1029 3.719,1030 3.769,1031 3.816,1032 3.677,1033 3.607,1034 4.975,1035 3.616,1036 3.717,1037 3.766,1038 3.636,1039 3.523,1040 4.612,1041 3.531,1042 3.534,1043 3.592,1044 3.445,1045 3.368,1046 4.43,1047 3.367,1048 3.399,1049 3.462,1050 3.373,1051 3.223,1052 4.39,1053 3.236,1054 3.289,1055 3.353,1056 3.202,1057 3.126,1058 4.339,1059 3.13,1060 0.102,1061 0.081,1062 0.148,1063 0.091,1064 0.071,1065 4.67,1066 0.1,1067 3.729,1068 0.042,1069 6.793,1070 0.244,1071 4.197,1072 0.068,1073 3.253,1074 4.618,1075 1.94,1076 11.247,1077 3.106,1078 1.975,1079 1.952,1080 2.038,1081 2.077,1082 1.313,1083 2.065,1084 1.819,1085 1.768,1086 2,1087 2.031,1088 1.224,1089 2.026,1090 1.791,1091 1.757,1092 1.946,1093 1.964,1094 1.168,1095 1.959,1096 1.752,1097 1.704,1098 1.928,1099 1.905,1100 1.14,1101 1.92,1102 1.605,1103 1.558,1104 1.785,1105 1.794,1106 0.975,1107 1.78,1108 1.544,1109 1.505,1110 1.726,1111 1.725,1112 0.909,1113 1.743,1114 1.436,1115 1.397,1116 1.544,1117 1.621,1118 0.86,1119 1.6,1120 1.307,1121 1.232,1122 1.513,1123 1.552,1124 0.825,1125 1.568,1126 4.533,1128 5.866,1129 3.045,1130 7.385,1131 5.352,1132 8.991,1133 7.424,1134 10.649,1135 3.79,1140 7.274,1142 5.621,1144 6.583,1148 47.856,1149 123.704,1150 289.217,1151 380.313,1152 411.333,1153 411.333,1154 411.333,1155 73.902,1156 9.044,1157 107.55,1158 135.79,1159 34,1160 13.053,1161 4.585,1162 3.807,1163 59.625,1164 229,1165 270,1166 0.125,1167 292.659,1168 502.64,1169 705.847,1170 122798,1172 28.346,1173 0.691,1174 0.595,1175 28.7,1176 24.375,1177 19.941,1178 0.433,1179 0.326,1180 14.033,1181 18.651,1182 13.605,1183 11.17,1184 20.349,1185 14.995,1186 18.31,1187 0.282,1188 0.185,1189 18.952,1190 12.016,1191 15.17,1192 0.174,1193 0.1,1194 15.957,1195 8.685,1196 13.301,1197 0.112,1198 0.056,1199 14.238,1200 6.628,1201 10.554,1202 0.07,1203 0.031,1204 11.447,1205 4.624,1206 0.201,1207 129.414,1208 0.179,1209 37.008,1210 0.33,1211 222,1212 628.271,1213 269.057,1214 622.069,1215 854.15,1216 586,1217 263,1218 611.131,1219 310.711,1220 632.192,1221 931.83,1222 595,1223 6} {0 CHEMBL322333,1 1.186,2 14.348,3 5.792,4 33.55,5 101.961,6 5.119,8 4.149,9 4.308,10 3.32,11 3.583,12 4.98,13 3.477,14 4.758,15 5.008,16 3.491,17 3.951,18 5.455,19 3.778,20 5.07,21 5.371,22 3.573,23 4.111,24 5.734,25 3.893,26 5.145,27 5.457,28 3.572,29 4.116,30 5.925,31 3.89,32 5.13,33 5.448,34 3.329,35 4.033,36 5.857,37 3.785,38 4.959,39 5.296,40 3.212,41 3.915,42 5.498,43 3.652,44 4.848,45 5.169,46 3.164,47 3.837,48 5.426,49 3.588,50 4.831,51 5.161,52 3.107,53 3.791,54 5.403,55 3.536,56 0.097,57 0.8,58 16.186,59 6.473,60 9.639,61 9.401,62 0.202,63 1.208,64 26.309,65 9.835,66 17.983,67 14.656,68 0.356,69 1.432,70 33.016,71 12.312,72 30.756,73 18.27,74 0.4,75 1.445,76 34.979,77 12.534,78 61.82,79 18.733,80 0.375,81 1.33,82 33.426,83 11.642,84 50.203,85 17.445,86 0.206,87 1.184,88 27.286,89 10.417,90 22.125,91 15.523,92 0.199,93 1.089,94 25.118,95 9.5,96 20.814,97 14.141,98 0.198,99 1.043,100 24.355,101 9.108,102 20.988,103 13.608,104 63,105 24,106 0.198,107 0.373,108 0.591,109 0.675,110 0.742,111 0.801,112 3.184,113 1.33,114 -5.73,115 -5.59,116 -5.21,117 31.3,118 1,119 12,122 2,123 1,124 2,127 2,151 14,156 1,158 13,161 1,163 2,165 1,167 12,170 1,173 1,174 2,176 11,179 1,183 2,185 10,188 1,191 2,193 9,196 1,199 2,200 8,203 1,205 2,206 7,209 1,213 2,214 6,216 887,217 15.468,218 15.468,219 15.468,220 15.468,221 15.468,222 15.261,223 9.324,224 10.281,225 15.629,226 10.778,227 10.778,228 10.778,229 10.778,230 10.778,231 10.446,232 10.066,233 4.813,234 11.055,235 4.814,236 3.763,237 2.452,238 1.953,239 1.55,240 1.191,241 3.814,245 1,246 620,247 4.899,256 2.507,257 15.06,259 0.75,260 0.83,261 0.83,262 0.6,263 1,264 0.83,265 0.5,266 0.76,267 48.5,268 330,269 3.93,270 3.235,271 6.323,272 3.846,273 2.901,274 2.968,275 0.8,276 9.317,277 2.736,278 3.209,279 2.414,280 4.704,281 2.972,282 1.987,283 2.256,284 0.765,285 4.788,286 1.966,287 2.943,288 1.999,289 3.954,290 2.899,291 1.924,292 1.943,294 3.897,295 1.877,296 2.794,297 1.898,298 3.825,299 2.773,300 1.792,301 1.794,303 3.606,304 1.75,305 2.608,306 1.704,307 3.641,308 2.579,309 1.591,310 1.604,312 3.164,313 1.566,314 2.424,315 1.539,316 3.466,317 2.325,318 1.337,319 1.394,321 2.632,322 1.319,323 2.161,324 1.405,325 3.246,326 2.062,327 1.099,328 1.135,330 2.156,331 1.056,332 1.951,333 1.062,334 2.947,335 1.887,336 0.932,337 0.941,339 1.734,340 0.883,341 1.726,342 0.689,343 2.626,344 1.6,345 0.618,346 0.655,347 1.117,348 0.605,349 1.341,350 0.417,351 2.31,352 1.238,353 0.252,354 0.267,355 0.444,356 0.247,357 0.931,358 0.271,359 2,360 0.871,361 -0.103,362 -0.106,363 -0.174,364 -0.099,365 0.749,366 0.02,367 1.788,368 0.62,369 -0.278,370 -0.284,371 -0.455,372 -0.248,373 0.49,374 -0.353,375 1.568,376 0.421,377 -0.547,378 -0.563,379 -1.007,380 -0.532,381 0.112,382 -0.6,383 1.355,384 0.091,385 -0.891,386 -0.893,387 -1.707,388 -0.872,390 -0.744,391 1.105,392 -0.1,393 -1,394 -1,395 -2,396 -0.9,397 11.067,398 0.481,399 0.285,400 0.012,401 13.25,402 0.576,403 1,404 0.043,405 12.25,406 0.533,407 29.397,408 1.278,409 30.333,410 0.474,411 6.734,412 0.293,413 1.736,414 0.075,415 9.394,416 0.408,417 0.196,419 0.127,420 1.059,421 1.656,422 1.331,423 1.54,424 1.088,425 1.472,426 1.062,427 1.328,428 1.289,429 1.314,430 0.855,431 1.312,432 0.695,433 1.082,434 1,435 1.099,436 0.746,437 1.08,438 0.86,439 1.05,440 0.962,441 1.06,442 0.806,443 1.025,444 1.607,445 0.891,446 1.104,447 0.909,448 1.744,449 0.962,450 0.602,451 0.932,452 0.872,453 0.945,454 0.59,455 0.935,456 0.776,457 1.017,458 0.981,459 1.03,460 0.76,461 1.026,462 0.778,463 0.965,464 0.937,465 0.975,466 0.767,467 0.971,468 2.5,469 0.066,470 1.556,471 1.125,472 0.32,473 0.222,474 0.163,475 0.125,476 0.099,477 0.08,478 6258,479 10067,480 1.814,481 64.1,482 27,483 12,486 2,490 1.644,491 1.704,492 3.771,493 0.193,497 75.902,498 1.186,499 2.237,500 3.548,501 4.047,502 4.45,503 4.809,504 3.241,505 4.089,506 4.493,507 4.008,508 1014.02,509 7.668,510 13894.7,513 384,514 1.264,515 4.453,516 0.114,517 0.005,518 0.065,519 0.045,520 0.013,521 0.012,522 0.01,523 0.008,524 0.007,525 0.006,526 0.284,527 0.5,528 0.75,529 3.203,530 115.897,531 -0.044,532 -0.13,533 -0.027,534 -0.053,535 -0.101,536 -0.044,537 -0.094,538 -0.076,539 -0.152,540 -0.121,541 -0.045,542 -0.137,543 0.14,544 -0.025,545 0.005,546 -0.048,547 0.049,548 -0.037,549 0.15,550 -0.06,551 0.03,552 -0.061,553 0.242,554 -0.029,555 -0.16,556 0.025,557 -0.095,558 0.025,559 -0.151,560 -0.025,561 0.016,562 0.017,563 0.039,564 0.023,565 0.002,566 0.032,567 -0.021,568 -0.027,569 -0.027,570 -0.027,571 -0.023,572 -0.027,573 -0.013,574 -0.005,575 0.002,576 -0.002,577 -0.018,578 0.001,579 1.914,580 3.968,582 27.509,583 0.975,584 1.144,585 4.499,586 20.241,587 0.58,588 3.135,589 3.219,590 3.258,591 3.219,592 2.944,593 2.89,594 2.833,595 2.773,596 2.708,597 2.639,598 8.543,599 0.515,600 327.62,601 3.135,602 4.533,603 5.252,604 5.999,605 6.735,606 7.493,607 8.238,608 9.004,609 9.756,610 10.53,611 1.6,614 1,638 64,639 1,641 22,642 63,643 20,652 2,657 14,659 2,660 18,662 1,665 2,670 41,671 3,672 2,673 3,677 1,682 2,683 1,684 1,702 2,706 1,708 2,712 3,715 23,717 2,718 13,721 2,722 1,731 3.1,732 2,737 13.5,738 11.433,739 5.806,740 4.55,741 0.375,742 1.067,743 0.827,744 16.21,745 5.999,746 3.178,747 3.296,748 3.401,749 3.434,750 3.332,751 3.296,752 3.258,753 3.219,754 3.178,755 3.135,756 1,757 25,758 8.615,759 3.226,760 7.507,761 17.406,762 13.357,763 2.007,764 46.167,765 0.001,768 459.073,769 74.985,770 3.124,772 85.367,774 74.985,775 544.44,776 3.124,777 25.618,778 30.414,779 104.319,781 3.124,783 459.073,785 459.073,786 78.109,787 85.367,790 459.073,792 85.367,793 42.364,794 16.793,795 18.952,797 459.073,798 88.491,799 74.985,801 459.073,802 30.414,803 47.695,805 85.367,806 459.073,807 88.491,808 74.985,810 0.52,811 0.283,812 0.136,813 0.05,814 3,815 3,816 0.254,817 16,820 3.725,821 131.93,824 102.042,826 22.623,827 16.48,828 13.733,830 88.491,838 85.367,839 622.549,840 23,843 3.891,846 62.428,847 73.221,848 0.198,849 0.373,850 0.591,851 0.675,852 0.742,853 0.801,854 4.304,855 0.932,856 5.106,857 2.156,858 3.892,859 3.97,860 1.141,861 5.673,862 3.834,863 5.288,864 0.618,865 6.521,866 1.734,867 2.944,868 2.944,869 0.325,870 6.271,871 2.746,872 6.42,873 0.252,874 8.061,875 1.117,876 5.22,877 5.398,878 0.763,879 9.343,880 5.087,881 7.585,882 -0.103,883 9.691,884 0.444,885 5.252,886 5.303,887 0.268,888 11.002,889 4.935,890 8.797,891 -0.278,892 11.387,893 -0.174,894 6.868,895 7.124,896 0.513,897 13.535,898 6.62,899 10.04,900 -0.547,901 13.13,902 -0.455,903 7.435,904 7.545,905 0.188,906 15.556,907 7.008,908 11.31,909 -0.891,910 14.905,911 -1.007,912 8.741,913 9.039,914 0.339,915 17.909,916 8.353,917 2.901,918 -1,919 16.703,920 -1.707,921 9.581,922 9.749,923 0.125,924 20.057,925 9.043,926 1.987,927 9.317,928 18.516,929 -2,930 10.749,931 11.07,932 0.219,933 22.34,934 10.215,935 1.924,936 4.788,937 20.338,938 2.968,939 11.716,940 11.94,941 0.082,942 24.537,943 11.065,944 1.792,945 3.897,946 22.167,947 2.256,948 12.825,949 13.164,950 0.139,951 26.791,952 12.152,953 1.591,954 3.606,955 24.001,956 1.943,957 13.847,958 14.125,959 0.054,960 29.007,961 13.081,962 1.337,963 3.164,964 25.838,965 1.794,966 14.931,967 15.295,968 0.087,969 31.249,970 14.128,971 1.099,972 2.632,973 27.677,974 1.604,975 15.978,976 16.307,977 0.035,978 33.474,979 15.096,980 6837,981 8822,982 13.693,983 37.143,984 29.267,985 28.988,986 30.449,987 29.001,988 28.866,989 29.914,990 3.129,991 65.708,992 28.008,993 4.886,994 5.185,995 6.313,996 4.828,997 4.881,998 5.31,999 1.565,1000 15.602,1001 4.713,1002 14.459,1003 1.33,1004 1.318,1005 1.384,1006 1.318,1007 1.312,1008 1.36,1009 0.142,1010 2.987,1011 1.273,1012 3.872,1013 3.931,1014 3.742,1015 3.749,1016 6.466,1017 3.735,1018 3.787,1019 3.846,1020 3.639,1021 3.657,1022 6.44,1023 3.645,1024 3.706,1025 3.775,1026 3.539,1027 3.564,1028 4.376,1029 3.55,1030 3.588,1031 3.662,1032 3.414,1033 3.438,1034 4.25,1035 3.423,1036 3.45,1037 3.528,1038 3.263,1039 3.293,1040 4.229,1041 3.276,1042 3.305,1043 3.39,1044 3.09,1045 3.117,1046 4.109,1047 3.096,1048 3.207,1049 3.287,1050 2.989,1051 2.981,1052 3.938,1053 2.966,1054 3.068,1055 3.152,1056 2.833,1057 2.848,1058 3.718,1059 2.827,1060 0.179,1061 0.147,1062 0.287,1063 0.175,1064 0.132,1065 3.93,1066 0.135,1067 3.235,1068 0.036,1069 6.323,1070 0.423,1071 3.846,1072 0.124,1073 2.901,1074 2.968,1075 0.8,1076 9.317,1077 2.736,1078 1.842,1079 1.786,1080 2.082,1081 1.994,1082 1.444,1083 2.025,1084 1.79,1085 1.736,1086 2.021,1087 1.961,1088 1.353,1089 1.978,1090 1.712,1091 1.65,1092 1.946,1093 1.898,1094 1.234,1095 1.924,1096 1.604,1097 1.534,1098 1.877,1099 1.793,1100 1.175,1101 1.829,1102 1.468,1103 1.392,1104 1.762,1105 1.667,1106 1.021,1107 1.703,1108 1.318,1109 1.234,1110 1.645,1111 1.556,1112 0.836,1113 1.589,1114 1.203,1115 1.118,1116 1.553,1117 1.466,1118 0.726,1119 1.496,1120 1.073,1121 0.986,1122 1.435,1123 1.343,1124 0.631,1125 1.375,1126 3.807,1128 4.949,1130 6.252,1132 7.643,1134 9.088,1135 6.02,1139 19.203,1140 15.98,1143 -0.786,1144 1.858,1148 32.987,1149 75.902,1150 143.196,1151 227.099,1152 259.025,1153 284.823,1154 307.761,1155 133.355,1156 5.624,1157 43.7,1158 43.7,1160 11.156,1161 1,1162 1,1163 116.116,1164 119,1165 121,1166 0.458,1167 214.477,1168 380.5,1169 515.083,1170 1812,1172 17.339,1173 0.754,1174 0.689,1175 17.339,1176 15.843,1177 11.129,1178 0.506,1179 0.443,1180 9.673,1181 10.866,1182 9.34,1183 7.998,1184 11.129,1185 9.751,1186 8.325,1187 0.347,1188 0.29,1189 8.325,1190 6.956,1191 5.822,1192 0.233,1193 0.182,1194 5.822,1195 4.552,1196 4.229,1197 0.176,1198 0.119,1199 4.229,1200 2.867,1201 2.093,1202 0.116,1203 0.091,1204 2.093,1205 1.629,1206 0.784,1207 68.805,1208 0.27,1209 24.32,1210 1.095,1211 92,1212 185.944,1213 97.291,1214 178.027,1215 226.32,1216 166,1217 95,1218 140.548,1219 100.764,1220 146.597,1221 204.62,1222 135,1223 5.244} {0 CHEMBL427579,1 1.349,2 12.364,3 3.749,4 14.052,5 90.279,6 5.894,7 0.273,8 3.973,9 4.124,10 3.287,11 3.452,12 4.952,13 3.379,14 4.534,15 4.751,16 3.555,17 3.821,18 5.434,19 3.696,20 4.862,21 5.135,22 3.614,23 3.94,24 5.838,25 3.783,26 4.875,27 5.166,28 3.495,29 3.887,30 5.867,31 3.711,32 4.77,33 5.067,34 3.357,35 3.799,36 5.624,37 3.618,38 4.616,39 4.897,40 3.303,41 3.73,42 5.457,43 3.553,44 4.593,45 4.881,46 3.183,47 3.675,48 5.403,49 3.479,50 4.511,51 4.811,52 3.008,53 3.54,54 5.273,55 3.332,56 0.076,57 0.695,58 12.848,59 5.123,60 11.708,61 7.381,62 0.174,63 1.061,64 21.736,65 8.289,66 23.509,67 12.177,68 0.408,69 1.265,70 29.656,71 9.956,72 66.865,73 15.014,74 0.469,75 1.22,76 29.781,77 9.551,78 78.475,79 14.693,80 0.273,81 1.089,82 26.256,83 8.999,84 47.718,85 13.55,86 0.176,87 1.004,88 22.55,89 8.182,90 32.282,91 12.275,92 0.173,93 0.953,94 21.894,95 7.955,96 30.139,97 11.917,98 0.182,99 0.836,100 19.963,101 7.128,102 28.311,103 10.686,104 45,105 27,106 0.232,107 0.53,108 0.708,109 0.811,110 0.857,111 0.871,112 3.144,113 1.142,114 -4.84,115 -4.75,116 -4.46,117 34.6,118 2,119 7,124 2,130 4,131 1,132 1,142 1,146 1,147 1,148 1,151 12,154 1,156 3,158 13,162 1,163 1,164 2,165 3,166 2,167 12,168 1,170 3,172 1,173 1,174 2,176 9,179 2,183 3,185 8,186 2,188 1,191 5,193 9,194 2,196 1,199 4,200 8,201 1,203 1,205 3,206 6,207 1,209 1,213 3,214 5,215 1,216 676,217 14.527,218 14.527,219 14.527,220 14.527,221 14.527,222 13.673,223 13.448,224 9.148,225 14.623,226 10.796,227 10.796,228 10.796,229 10.796,230 10.796,231 9.459,232 13.896,233 4.332,234 10.952,235 4.351,236 2.623,237 1.587,238 0.991,239 0.721,240 0.644,241 3.786,243 1,244 1,245 1,246 528,247 4.243,251 86.794,256 2.273,257 20.31,258 1,259 1,260 0.83,261 0.83,262 1,263 1,264 1,265 1,266 0.95,267 47,268 272,269 4.109,270 3.748,271 6.214,272 3.87,273 2.89,274 3.654,275 1.953,276 8.861,277 2.825,278 3.924,279 2.795,280 5.498,281 3.61,282 2.62,283 3.145,284 0.263,285 7.362,286 2.595,287 3.465,288 2.595,289 5.167,290 3.192,291 2.218,292 2.709,294 6.423,295 2.156,296 2.974,297 2.338,298 4.55,299 2.84,300 1.842,301 1.982,303 4.329,304 1.838,305 2.846,306 1.838,307 3.84,308 2.688,309 1.696,310 1.849,312 3.646,313 1.663,314 2.5,315 1.424,316 3.436,317 2.411,318 1.411,319 1.5,321 2.736,322 1.41,323 2.447,324 1.314,325 3.414,326 2,327 1,328 1.445,330 2.275,331 1,332 1.899,333 1,334 3.144,335 1.849,336 0.853,337 0.879,339 1.609,340 0.849,341 1.696,342 0.912,343 2.865,344 1.536,345 0.595,346 0.628,347 1.294,348 0.554,349 1.409,350 0.58,351 2.379,352 1.234,353 0.234,354 0.252,355 0.43,356 0.233,357 1.078,358 0.199,359 2.169,360 0.871,361 -0.132,362 -0.154,363 -0.263,364 -0.132,365 0.655,366 -0.235,367 2,368 0.45,369 -0.558,370 -0.611,371 -1.094,372 -0.559,373 0.5,374 -0.586,375 1.661,376 0.116,377 -0.896,378 -1,379 -1.933,380 -0.889,381 0.339,382 -0.597,383 1.52,385 -1,386 -1.051,387 -2,388 -0.902,390 -0.855,391 1.278,392 -0.099,393 -1,394 -1.379,395 -2.554,396 -1,397 10.467,398 0.476,399 0.459,400 0.021,401 20.25,402 0.92,403 8,404 0.364,405 12.25,406 0.557,407 21.968,408 0.999,409 26.733,410 0.514,411 13.251,412 0.602,413 3.38,414 0.154,415 7.161,416 0.326,417 0.197,419 0.239,420 0.925,421 1.334,422 1.115,423 1.256,424 0.873,425 1.207,426 0.646,427 1.377,428 1.044,429 1.321,430 0.645,431 1.244,432 0.957,433 1.029,434 0.988,435 1.021,436 0.917,437 1.013,438 0.98,439 0.936,440 1.006,441 0.946,442 0.973,443 0.968,444 1.054,445 0.893,446 0.933,447 0.892,448 1.114,449 0.9,450 0.718,451 1.078,452 0.96,453 1.079,454 0.705,455 1.05,456 0.717,457 1.08,458 0.995,459 1.114,460 0.655,461 1.09,462 0.832,463 0.993,464 0.962,465 1.017,466 0.855,467 1.011,468 4,469 0.087,470 2,471 0.875,472 0.702,473 0.486,474 0.344,475 0.224,476 0.172,477 0.106,478 5108,479 10450,480 1.873,481 57.7,482 17,483 6,486 4,488 3,490 1.635,491 1.737,492 3.582,493 1.78,495 1,497 70.157,498 1.349,499 3.078,500 4.113,501 4.71,502 4.979,503 5.056,504 3.106,505 3.482,506 4.421,507 3.764,508 869.524,509 7.552,510 10528,511 1,512 1,513 296.423,514 1.449,515 4.374,516 0.182,517 0.008,518 0.074,519 0.032,520 0.031,521 0.023,522 0.017,523 0.013,524 0.012,525 0.008,526 0.401,528 1,529 2.555,530 105.95,531 -0.092,532 0.062,533 -0.021,534 0.053,535 -0.11,536 0.03,537 0.098,538 -0.184,539 -0.029,540 -0.147,541 0.047,542 -0.112,543 0.11,544 -0.008,545 0.019,546 -0.021,547 0.116,548 -0.018,549 0.113,550 0.044,551 -0.008,552 0.003,553 0.131,554 -0.012,555 -0.062,556 0.051,557 0.037,558 0.076,559 -0.032,560 0.069,561 -0.005,562 -0.054,563 -0.003,564 -0.046,565 0.019,566 -0.026,567 -0.01,568 -0.08,569 -0.049,570 -0.094,571 -0.01,572 -0.076,573 -0.029,574 -0.051,575 -0.02,576 -0.031,577 -0.057,578 -0.027,579 2.234,580 4.74,581 0.273,582 25.339,583 0.985,584 1.139,585 3.611,586 13.037,587 0.607,588 3.135,589 3.332,590 3.434,591 3.466,592 3.555,593 3.526,594 3.555,595 3.584,596 3.555,597 3.367,598 7.171,599 0.555,600 306.5,601 3.135,602 4.595,603 5.361,604 6.159,605 6.948,606 7.755,607 8.554,608 9.368,609 10.174,610 10.991,611 3.8,612 1,617 1,623 4,628 2,630 6,638 52,639 7,640 1,641 22,642 52,643 18,644 6,645 2,646 4,648 1,649 1,652 2,657 9,659 7,660 11,662 1,664 1,667 1,669 1,670 30,671 4,672 4,673 4,677 2,681 1,682 2,684 1,693 1,700 1,704 1,708 1,710 1,712 2,715 22,716 1,717 1,718 7,719 1,721 2,731 3.8,732 1,734 1,737 12.667,738 9.2,739 5.222,740 3.553,741 1.207,742 1.2,743 0.875,744 8.982,745 7.23,746 3.296,747 3.676,748 4.012,749 4.368,750 4.788,751 4.768,752 4.972,753 5.125,754 5.023,755 4.857,756 1,757 27,758 8.2,759 3.274,760 7.758,761 15.933,762 12.493,763 2.258,764 49.667,765 0.001,767 1,768 306.049,769 83.944,770 50.908,772 67.828,774 83.944,775 373.877,776 50.908,777 17.65,778 68.65,779 80.588,780 29.85,781 5.942,783 306.049,785 306.049,786 134.852,787 67.828,790 270.735,791 60.458,792 42.683,793 86.3,794 48.552,797 306.049,798 118.736,799 83.944,801 306.049,802 28.389,803 55.555,804 18.011,805 100.725,806 306.049,807 118.736,808 83.944,810 0.552,811 0.3,812 0.133,813 0.065,814 8,815 5,816 0.192,817 10,819 1,820 3.516,821 140.405,823 6,824 94.107,826 18.827,827 10.496,828 7.57,830 118.736,831 7.85,836 2.001,838 93.591,839 508.729,840 26,842 11.74,845 -0.362,846 51.229,847 59.228,848 0.237,849 0.54,850 0.722,851 0.826,852 0.873,853 0.887,854 4.472,855 0.853,856 5.293,857 2.275,858 4.007,859 4.357,860 2.027,861 5.958,862 3.977,863 5.584,864 0.595,865 6.777,866 1.609,867 3.434,868 3.951,869 1.593,870 6.629,871 3.37,872 6.818,873 0.234,874 8.365,875 1.294,876 5.46,877 6.271,878 3.019,879 9.642,880 5.396,881 8.087,882 -0.132,883 10.016,884 0.43,885 5.707,886 6.653,887 3.114,888 11.128,889 5.604,890 9.389,891 -0.558,892 11.707,893 -0.263,894 7.186,895 8.497,896 4.198,897 13.646,898 7.083,899 10.713,900 -0.896,901 13.426,902 -1.094,903 7.827,904 9.232,905 4.555,906 15.473,907 7.686,908 12.054,909 -1,910 15.164,911 -1.933,912 9.068,913 10.869,914 5.456,915 17.802,916 8.923,917 2.89,918 -1,919 16.916,920 -2,921 9.908,922 11.793,923 5.952,924 19.793,925 9.729,926 2.62,927 8.861,928 18.681,929 -2.554,930 11.04,931 13.315,932 6.751,933 22.039,934 10.85,935 2.218,936 7.362,937 20.454,938 3.654,939 11.98,940 14.356,941 7.324,942 24.115,943 11.761,944 1.842,945 6.423,946 22.235,947 3.145,948 13.063,949 15.806,950 8.066,951 26.324,952 12.828,953 1.696,954 4.329,955 24.022,956 2.709,957 14.055,958 16.925,959 8.682,960 28.445,961 13.793,962 1.411,963 3.646,964 25.814,965 1.982,966 15.116,967 18.325,968 9.392,969 30.637,970 14.836,971 1,972 2.736,973 27.611,974 1.849,975 16.135,976 19.498,977 10.031,978 32.784,979 15.829,980 5456,981 8010,982 13.811,983 31.58,984 30.899,985 31.798,986 32.075,987 30.732,988 30.719,989 36.085,990 4.432,991 77.931,992 30.243,993 5.028,994 5.748,995 6.177,996 4.87,997 4.89,998 6.654,999 3.416,1000 15.309,1001 4.825,1002 13.697,1003 1.405,1004 1.445,1005 1.458,1006 1.397,1007 1.396,1008 1.64,1009 0.201,1010 3.542,1011 1.375,1012 3.963,1013 4,1014 3.892,1015 3.887,1016 7.429,1017 3.882,1018 3.761,1019 3.824,1020 3.636,1021 3.638,1022 6.45,1023 3.619,1024 3.722,1025 3.77,1026 3.584,1027 3.542,1028 4.971,1029 3.555,1030 3.533,1031 3.607,1032 3.348,1033 3.395,1034 4.743,1035 3.373,1036 3.306,1037 3.378,1038 3.154,1039 3.113,1040 4.216,1041 3.103,1042 3.191,1043 3.273,1044 2.985,1045 2.963,1046 4.048,1047 2.965,1048 2.954,1049 3.07,1050 2.728,1051 2.746,1052 3.874,1053 2.726,1054 2.854,1055 2.928,1056 2.687,1057 2.735,1058 3.789,1059 2.715,1060 0.187,1061 0.17,1062 0.282,1063 0.176,1064 0.131,1065 4.109,1066 0.166,1067 3.748,1068 0.089,1069 6.214,1070 0.403,1071 3.87,1072 0.128,1073 2.89,1074 3.654,1075 1.953,1076 8.861,1077 2.825,1078 1.937,1079 1.906,1080 2.085,1081 2.04,1082 1.41,1083 2.053,1084 1.776,1085 1.715,1086 2.008,1087 1.938,1088 1.246,1089 1.965,1090 1.665,1091 1.618,1092 1.88,1093 1.878,1094 1.088,1095 1.882,1096 1.561,1097 1.491,1098 1.837,1099 1.742,1100 1.046,1101 1.779,1102 1.296,1103 1.219,1104 1.615,1105 1.53,1106 0.837,1107 1.555,1108 1.166,1109 1.091,1110 1.474,1111 1.445,1112 0.566,1113 1.469,1114 0.961,1115 0.867,1116 1.338,1117 1.251,1118 0.486,1119 1.274,1120 0.886,1121 0.821,1122 1.181,1123 1.131,1124 0.288,1125 1.152,1126 3.807,1128 5.03,1130 6.431,1132 7.915,1134 9.443,1135 3.738,1138 5.591,1139 9.302,1140 8.844,1141 2.717,1143 -1.755,1148 28.848,1149 70.157,1150 160.051,1151 213.894,1152 244.913,1153 258.913,1154 262.913,1155 68.527,1156 6.023,1157 75.35,1158 75.35,1159 6,1160 11.577,1161 3,1162 2.322,1163 58.675,1164 96,1165 104,1166 0.306,1167 185.911,1168 325.72,1169 445.382,1170 2804,1172 16.372,1173 0.744,1174 0.629,1175 16.372,1176 13.847,1177 10.541,1178 0.479,1179 0.381,1180 8.318,1181 10.302,1182 8.066,1183 6.841,1184 10.541,1185 8.377,1186 8.759,1187 0.324,1188 0.221,1189 8.759,1190 5.97,1191 6.587,1192 0.22,1193 0.129,1194 6.587,1195 3.863,1196 4.367,1197 0.141,1198 0.074,1199 4.367,1200 2.309,1201 3.072,1202 0.09,1203 0.044,1204 3.072,1205 1.483,1206 0.503,1207 65.097,1208 0.269,1209 22.749,1210 0.776,1211 98,1212 241.53,1213 105.399,1214 235.85,1215 309.06,1216 218,1217 106,1218 212.796,1219 112.957,1220 216.742,1221 309.04,1222 204,1223 6.187} {0 CHEMBL495798,1 1.283,2 16.774,3 7.322,4 53.616,5 126.744,6 5.733,8 4.342,9 4.483,10 3.645,11 3.801,12 5.235,13 3.724,14 4.974,15 5.2,16 3.992,17 4.173,18 5.85,19 4.061,20 5.274,21 5.532,22 3.983,23 4.337,24 6.092,25 4.189,26 5.341,27 5.623,28 4.08,29 4.329,30 6.287,31 4.176,32 5.25,33 5.514,34 3.932,35 4.229,36 6.327,37 4.1,38 5.11,39 5.356,40 3.912,41 4.287,42 5.98,43 4.135,44 5.287,45 5.555,46 3.736,47 4.334,48 6.09,49 4.119,50 5.309,51 5.65,52 3.511,53 4.155,54 6.024,55 3.908,56 0.073,57 0.973,58 19.019,59 7.85,60 10.689,61 11.063,62 0.495,63 1.521,64 34.467,65 12.236,66 43.742,67 17.9,68 0.578,69 1.848,70 45.073,71 14.965,72 56.614,73 22.187,74 0.711,75 1.865,76 47.294,77 15.691,78 86.917,79 23.377,80 0.893,81 1.666,82 44.424,83 13.392,84 137.964,85 19.927,86 0.311,87 1.686,88 37.922,89 14.406,90 55.28,91 20.774,92 0.414,93 1.854,94 44.188,95 16.054,96 56.182,97 23.564,98 0.533,99 1.622,100 42.562,101 14.204,102 73.083,103 21.478,104 89,105 41,106 0.203,107 0.358,108 0.546,109 0.659,110 0.713,111 0.76,112 3.47,113 1.188,114 -6.04,115 -5.88,116 -5.47,117 34.2,118 6,119 12,123 1,124 1,125 1,126 1,129 2,140 1,143 1,151 14,152 4,153 8,158 17,160 1,161 2,167 12,169 3,170 13,176 11,178 2,179 7,185 12,188 8,193 17,196 8,200 13,203 5,206 12,209 5,214 11,216 2018,217 19.88,218 19.88,219 19.88,220 19.88,221 19.88,222 19.321,223 15.541,224 12.485,225 20.196,226 15.308,227 15.308,228 15.308,229 15.308,230 15.308,231 14.33,232 19.125,233 5.994,234 15.822,235 4.965,236 3.983,237 2.795,238 2.082,239 1.743,240 1.441,241 4.118,245 1,246 1025,247 5.568,250 113.054,256 2.585,257 32.667,259 0.75,260 0.67,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.8,267 66.5,268 520,269 4.574,270 4.127,271 7.541,272 4.453,273 3.531,274 3.662,275 2.606,276 13.495,277 3.254,278 4.127,279 3.761,280 6.447,281 4.048,282 3.109,283 3.228,284 2.209,285 10.144,286 2.91,287 4.047,288 3.518,289 6.105,290 3.617,291 2.613,292 3.113,293 1.096,294 8.668,295 2.614,296 3.477,297 3.129,298 5.369,299 3.086,300 2.115,301 2.511,302 0.58,303 6.341,304 2.023,305 3.327,306 2.457,307 4.309,308 2.956,309 1.956,310 2.184,311 0.144,312 4.001,313 1.954,314 2.944,315 2.097,316 4.006,317 2.832,318 1.834,319 1.936,321 3.84,322 1.83,323 2.784,324 1.933,325 3.946,326 2.647,327 1.651,328 1.765,330 3.527,331 1.643,332 2.544,333 1.746,334 3.802,335 2.441,336 1.447,337 1.525,339 3.071,340 1.433,341 2.415,342 1.62,343 3.583,344 2.237,345 1.237,346 1.302,347 2.499,348 1.23,349 2.187,350 1.465,351 3.311,352 1.963,353 0.963,354 1.056,355 2.184,356 0.959,357 1.893,358 1.15,359 3.071,360 1.684,361 0.794,362 0.832,363 1.836,364 0.695,365 1.808,366 0.96,367 2.941,368 1.606,369 0.604,370 0.677,371 1.138,372 0.604,373 1.389,374 0.771,375 2.726,376 1.245,377 0.238,378 0.264,379 0.436,380 0.239,381 0.956,382 0.617,383 2.563,384 0.864,385 -0.135,386 -0.143,387 -0.254,388 -0.133,389 0.887,390 0.288,391 2.418,392 0.623,393 -0.305,394 -0.322,395 -0.843,396 -0.281,397 14.733,398 0.475,399 0.918,400 0.03,401 22.75,402 0.734,403 5,404 0.161,405 17.75,406 0.573,407 43.505,408 1.403,409 38.667,410 0.509,411 15.456,412 0.499,413 3.141,414 0.101,415 11.442,416 0.369,417 0.249,418 0.068,419 0.129,420 0.73,421 1.601,422 1.088,423 1.499,424 0.619,425 1.358,426 0.713,427 1.275,428 0.949,429 1.208,430 0.46,431 1.122,432 1.371,433 1.03,434 1.14,435 1.022,436 0.895,437 1.043,438 0.774,439 1.084,440 0.8,441 1.034,442 1.005,443 0.935,444 1.829,445 0.744,446 1.137,447 0.747,448 2.148,449 0.836,450 0.919,451 1.155,452 1.063,453 1.168,454 1.143,455 1.139,456 0.998,457 1.277,458 1.242,459 1.308,460 0.827,461 1.308,462 0.99,463 0.682,464 0.819,465 0.692,466 1.303,467 0.73,468 7,469 0.136,470 3.111,471 2.597,472 1.46,473 1.056,474 0.63,475 0.26,476 0.204,477 0.165,478 13826,479 25036,480 1.843,481 59.2,482 27,483 3,488 9,489 6,490 1.728,491 1.691,492 3.894,493 -0.831,497 97.498,498 1.283,499 2.265,500 3.453,501 4.166,502 4.505,503 4.807,504 3.37,505 4.672,506 4.916,507 4.177,508 1942.4,509 8.543,510 31661.5,513 474.842,514 1.616,515 4.841,516 0.226,517 0.006,518 0.076,519 0.067,520 0.035,521 0.029,522 0.017,523 0.01,524 0.009,525 0.007,526 0.481,527 0.33,528 0.75,529 3.347,530 168.988,531 0.025,532 -0.182,533 0.03,534 -0.115,535 -0.029,536 -0.053,537 0.293,538 -0.105,539 0.114,540 -0.082,541 0.203,542 -0.021,543 -0.098,544 0.024,545 -0.079,546 -0.012,547 -0.053,548 -0.039,549 0.292,550 -0.111,551 0.198,552 -0.053,553 0.217,554 0.047,555 -0.076,556 0.228,557 -0.028,558 0.179,559 0.035,560 0.096,561 -0.047,562 -0.043,563 -0.047,564 -0.052,565 -0.02,566 -0.05,567 -0.093,568 -0.238,569 -0.25,570 -0.258,571 -0.053,572 -0.273,573 -0.048,574 0.156,575 0.103,576 0.17,577 -0.088,578 0.157,579 2.208,580 5.612,581 0.161,582 44.835,583 0.985,584 1.138,585 4.805,586 23.088,587 0.6,588 3.466,589 3.738,590 3.807,591 4.025,592 4.025,593 4.06,594 3.912,595 3.784,596 3.761,597 3.638,598 9.537,599 0.546,600 435.72,601 3.466,602 4.977,603 5.753,604 6.619,605 7.431,606 8.318,607 9.155,608 10.057,609 10.913,610 11.823,611 1.3,617 1,638 76,639 3,641 31,642 76,643 26,648 1,649 1,652 6,655 2,657 14,658 2,659 2,660 22,661 1,662 2,664 2,667 2,670 45,671 5,673 5,677 1,681 1,682 4,692 1,698 2,699 1,707 1,709 1,710 1,712 6,715 31,718 13,720 2,721 1,722 1,723 2,725 1,729 2,731 5.3,734 2,735 1,736 1,737 18.333,738 15.2,739 7.083,740 5.458,741 0.839,742 1.126,743 0.86,744 12.607,745 7.496,746 3.584,747 3.912,748 4.111,749 4.407,750 4.477,751 4.615,752 4.635,753 4.635,754 4.654,755 4.644,756 0.909,757 39,758 11.661,759 4.685,760 7.651,761 22.858,762 18.042,763 2.151,764 66.667,768 529.7,769 133.915,770 3.124,772 72.29,774 133.915,775 601.989,776 3.124,777 52.951,778 38.131,780 66.423,781 11,782 40.824,783 529.7,785 529.7,786 137.039,787 72.29,790 353.133,791 237.856,792 11,793 91.082,794 11.896,795 34.061,797 529.7,798 75.414,799 133.915,801 529.7,802 46.903,803 56.076,804 34.061,805 72.29,806 529.7,807 75.414,808 133.915,810 0.563,811 0.283,812 0.148,813 0.074,814 13,815 8,816 0.184,817 14,819 1,820 4.275,821 231.431,823 5,824 146.825,826 27.826,827 14.045,828 11.287,830 75.414,839 739.029,840 35,842 25.215,845 -0.819,846 74.85,847 86.47,848 0.205,849 0.363,850 0.553,851 0.667,852 0.721,853 0.769,854 4.852,855 1.447,856 5.784,857 3.527,858 4.419,859 4.595,860 3.146,861 6.624,862 4.344,863 6.026,864 1.237,865 7.371,866 3.071,867 4.29,868 4.443,869 2.868,870 8.03,871 4.134,872 7.334,873 0.963,874 9.098,875 2.499,876 6.111,877 6.454,878 4.538,879 11.027,880 5.909,881 8.679,882 0.794,883 10.911,884 2.184,885 6.815,886 7.066,887 4.951,888 13.222,889 6.502,890 10.061,891 0.604,892 12.78,893 1.836,894 8.21,895 8.648,896 6.192,897 15.905,898 7.842,899 11.467,900 0.238,901 14.685,902 1.138,903 9.244,904 9.581,905 6.888,906 18.353,907 8.766,908 12.892,909 -0.135,910 16.614,911 0.436,912 10.516,913 11.003,914 7.958,915 20.963,916 9.969,917 3.531,918 -0.305,919 18.56,920 -0.254,921 11.676,922 12.088,923 8.783,924 23.502,925 11.027,926 3.109,927 13.495,928 20.52,929 -0.843,930 12.917,931 13.441,932 9.781,933 26.097,934 12.189,935 2.613,936 10.144,937 22.49,938 3.662,939 14.125,940 14.605,941 10.667,942 28.672,943 13.303,944 2.115,945 8.668,946 24.469,947 3.228,948 15.362,949 15.924,950 11.635,951 31.267,952 14.456,953 1.956,954 6.341,955 26.454,956 3.113,957 16.591,958 17.134,959 12.553,960 33.856,961 15.595,962 1.834,963 4.001,964 28.445,965 2.511,966 17.831,967 18.437,968 13.509,969 36.453,970 16.75,971 1.651,972 3.84,973 30.44,974 2.184,975 19.07,976 19.675,977 14.444,978 39.049,979 17.901,980 14495,981 20027,982 18.951,983 45.574,984 45.677,985 47.184,986 45.543,987 44.218,988 44.184,989 48.11,990 13.27,991 122.361,992 42.779,993 5.533,994 6.073,995 7.53,996 5.553,997 5.523,998 6.438,999 4.355,1000 21.405,1001 5.234,1002 21.499,1003 1.473,1004 1.522,1005 1.469,1006 1.426,1007 1.425,1008 1.552,1009 0.428,1010 3.947,1011 1.38,1012 3.939,1013 3.973,1014 3.874,1015 3.77,1016 7.436,1017 3.78,1018 3.821,1019 3.88,1020 3.664,1021 3.682,1022 7.426,1023 3.675,1024 3.728,1025 3.788,1026 3.6,1027 3.603,1028 4.714,1029 3.591,1030 3.695,1031 3.747,1032 3.547,1033 3.54,1034 4.613,1035 3.534,1036 3.602,1037 3.663,1038 3.459,1039 3.476,1040 4.535,1041 3.463,1042 3.473,1043 3.529,1044 3.315,1045 3.336,1046 4.242,1047 3.322,1048 3.337,1049 3.413,1050 3.138,1051 3.179,1052 4.123,1053 3.159,1054 3.193,1055 3.268,1056 3.08,1057 3.023,1058 3.954,1059 3.001,1060 0.148,1061 0.133,1062 0.243,1063 0.144,1064 0.114,1065 4.574,1066 0.118,1067 4.127,1068 0.084,1069 7.541,1070 0.435,1071 4.453,1072 0.105,1073 3.531,1074 3.662,1075 2.606,1076 13.495,1077 3.254,1078 1.835,1079 1.778,1080 2.079,1081 1.985,1082 1.442,1083 2.02,1084 1.765,1085 1.716,1086 2.007,1087 1.938,1088 1.345,1089 1.949,1090 1.714,1091 1.665,1092 1.948,1093 1.907,1094 1.194,1095 1.926,1096 1.662,1097 1.612,1098 1.895,1099 1.833,1100 1.124,1101 1.851,1102 1.605,1103 1.545,1104 1.856,1105 1.8,1106 1.084,1107 1.825,1108 1.539,1109 1.485,1110 1.767,1111 1.74,1112 1.006,1113 1.752,1114 1.408,1115 1.338,1116 1.698,1117 1.607,1118 0.974,1119 1.646,1120 1.228,1121 1.157,1122 1.549,1123 1.435,1124 0.793,1125 1.476,1126 4.143,1128 5.425,1129 2.398,1130 6.87,1131 4.844,1132 8.412,1133 7.034,1134 10.021,1135 11.2,1140 15.055,1142 11.144,1143 -0.713,1144 1.386,1145 -1.523,1147 5.721,1148 41.47,1149 97.498,1150 172.146,1151 262.392,1152 316.583,1153 342.381,1154 365.319,1155 154.11,1156 6.657,1157 55.84,1158 55.84,1159 5,1160 12.351,1161 2,1162 2.322,1163 104.269,1164 174,1165 225,1166 0.281,1167 263.848,1168 481.6,1169 635.548,1170 7049,1172 23.33,1173 0.753,1174 0.673,1175 23.33,1176 20.85,1177 14.582,1178 0.47,1179 0.396,1180 12.16,1181 14.102,1182 11.607,1183 9.876,1184 14.582,1185 12.272,1186 13.468,1187 0.328,1188 0.246,1189 13.468,1190 10.075,1191 8.527,1192 0.194,1193 0.125,1194 8.527,1195 5.496,1196 7.086,1197 0.129,1198 0.068,1199 7.086,1200 3.764,1201 4.507,1202 0.082,1203 0.041,1204 4.507,1205 2.245,1206 0.472,1207 90.742,1208 0.23,1209 30.607,1210 0.694,1211 144,1212 382.587,1213 161.253,1214 357.605,1215 471.92,1216 332,1217 157,1218 334.873,1219 172.236,1220 335.11,1221 483.59,1222 311,1223 5.502} {0 CHEMBL495816,1 1.301,2 16.571,3 6.79,4 46.103,5 114.392,6 5.734,8 4.235,9 4.379,10 3.511,11 3.683,12 5.179,13 3.604,14 4.836,15 5.064,16 3.769,17 4.034,18 5.754,19 3.899,20 5.143,21 5.419,22 3.754,23 4.165,24 5.993,25 3.99,26 5.161,27 5.461,28 3.802,29 4.117,30 6.114,31 3.949,32 5.032,33 5.291,34 3.718,35 4.014,36 6.226,37 3.87,38 4.936,39 5.219,40 3.594,41 4.029,42 5.701,43 3.849,44 5.015,45 5.296,46 3.65,47 4.056,48 5.9,49 3.877,50 5.072,51 5.361,52 3.42,53 3.959,54 6.015,55 3.765,56 0.077,57 0.866,58 17.038,59 7.011,60 10.693,61 9.869,62 0.398,63 1.307,64 29.626,65 10.868,66 45.592,67 15.828,68 0.523,69 1.549,70 38.672,71 13.006,72 63.942,73 19.405,74 0.469,75 1.505,76 38.655,77 12.549,78 84.954,79 19.074,80 0.922,81 1.338,82 36.034,83 10.722,84 151.897,85 16.19,86 0.246,87 1.323,88 30.713,89 11.398,90 41.199,91 16.8,92 0.272,93 1.379,94 33.567,95 11.842,96 48.041,97 17.583,98 0.586,99 1.276,100 35.599,101 10.845,102 93.607,103 16.332,104 94,105 32,106 0.211,107 0.393,108 0.571,109 0.659,110 0.72,111 0.774,112 3.372,113 1.214,114 -5.4,115 -5.28,116 -4.93,117 33.3,118 4,119 12,123 1,124 1,125 1,129 2,140 1,143 1,151 14,152 1,153 4,154 2,158 16,161 1,163 1,164 1,165 1,167 12,170 4,172 1,174 5,176 11,178 2,179 3,181 2,183 2,185 10,188 3,191 2,193 9,196 6,199 5,200 11,203 3,205 2,206 10,209 3,213 2,214 9,216 1570,217 18.225,218 18.225,219 18.225,220 18.225,221 18.225,222 17.642,223 11.181,224 11.844,225 18.395,226 13.292,227 13.292,228 13.292,229 13.292,230 13.292,231 12.279,232 12.215,233 5.631,234 13.562,235 4.807,236 3.684,237 2.586,238 2.04,239 1.666,240 1.334,241 4.006,245 1,246 880,247 5.657,256 2.673,257 30.257,259 0.75,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.82,267 60.5,268 464,269 4.187,270 3.893,271 6.447,272 4.072,273 3.135,274 3.363,275 2.605,276 10.16,277 2.93,278 4.114,279 3.723,280 6.031,281 3.782,282 2.783,283 3.188,284 2.186,285 8.588,286 2.777,287 3.606,288 3.17,289 4.893,290 3.086,291 2.098,292 2.626,293 0.405,294 5.641,295 2.04,296 3.313,297 2.465,298 4.129,299 2.955,300 1.955,301 2.195,302 0.095,303 3.941,304 1.953,305 2.944,306 2.201,307 3.945,308 2.832,309 1.833,310 1.937,312 3.769,313 1.829,314 2.785,315 1.933,316 3.796,317 2.649,318 1.653,319 1.768,321 3.471,322 1.644,323 2.55,324 1.746,325 3.572,326 2.448,327 1.454,328 1.532,330 3.031,331 1.438,332 2.436,333 1.465,334 3.291,335 2.241,336 1.24,337 1.312,339 2.467,340 1.234,341 2.187,342 1.153,343 3.059,344 1.962,345 0.957,346 1.055,347 1.817,348 0.958,349 1.809,350 1.097,351 2.946,352 1.621,353 0.618,354 0.687,355 1.125,356 0.618,357 1.39,358 0.953,359 2.626,360 1.259,361 0.312,362 0.322,363 0.502,364 0.283,365 1.352,366 0.763,367 2.395,368 1.141,369 0.203,370 0.224,371 0.37,372 0.195,373 0.956,374 0.613,375 2.272,376 0.855,377 -0.152,378 -0.166,379 -0.279,380 -0.152,381 0.883,382 0.187,383 2,384 0.534,385 -0.394,386 -0.425,387 -0.967,388 -0.356,389 0.56,390 0.076,391 2,392 0.477,393 -0.537,394 -0.595,395 -1.084,396 -0.542,397 13.233,398 0.473,399 0.617,400 0.022,401 20.25,402 0.723,403 5,404 0.179,405 15.25,406 0.545,407 35.485,408 1.267,409 35.367,410 0.513,411 13.658,412 0.488,413 2.94,414 0.105,415 10.357,416 0.37,417 0.227,418 0.038,419 0.113,420 0.788,421 1.526,422 1.125,423 1.464,424 0.693,425 1.354,426 0.609,427 1.315,428 1.024,429 1.302,430 0.523,431 1.232,432 1.019,433 1.048,434 1.042,435 1.046,436 0.762,437 1.05,438 0.797,439 1.001,440 0.777,441 0.943,442 0.863,443 0.867,444 1.336,445 0.891,446 1.154,447 0.905,448 1.498,449 0.983,450 0.637,451 1.053,452 0.903,453 1.064,454 0.667,455 1.025,456 0.766,457 1.16,458 0.948,459 1.166,460 0.827,461 1.092,462 1.682,463 0.813,464 1.175,465 0.826,466 1.914,467 0.922,468 5.5,469 0.099,470 1.778,471 1.5,472 0.72,473 0.5,474 0.49,475 0.188,476 0.148,477 0.12,478 10671,479 21351,480 1.8,481 59.4,482 27,483 3,486 2,488 9,490 1.7,491 1.672,492 3.956,493 0.176,497 89.787,498 1.301,499 2.425,500 3.523,501 4.069,502 4.443,503 4.775,504 3.414,505 4.352,506 4.773,507 4.194,508 1585.36,509 8.249,510 25067.3,513 421.488,514 1.454,515 4.713,516 0.204,517 0.006,518 0.056,519 0.05,520 0.023,521 0.018,522 0.018,523 0.007,524 0.007,525 0.006,526 0.394,527 0.17,528 0.88,529 3.293,530 149.997,531 -0.027,532 -0.083,533 -0.013,534 -0.06,535 -0.038,536 -0.038,537 0.226,538 -0.132,539 0.007,540 -0.14,541 0.149,542 -0.106,543 0.004,544 -0.032,545 -0.039,546 -0.039,547 0.007,548 -0.047,549 0.128,550 -0.052,551 0.187,552 0.012,553 0.163,554 0.096,555 0.179,556 0.117,557 -0.063,558 0.048,559 0.209,560 -0.026,561 0.015,562 -0.008,563 0.043,564 -0.006,565 0.024,566 0.02,567 0.026,568 -0.134,569 0.017,570 -0.128,571 0.06,572 -0.064,573 -0.227,574 0.083,575 -0.139,576 0.075,577 -0.249,578 -0.01,579 2.396,580 4.973,582 39.51,583 0.987,584 1.14,585 4.168,586 17.371,587 0.595,588 3.332,589 3.497,590 3.434,591 3.497,592 3.367,593 3.332,594 3.332,595 3.045,596 2.996,597 2.944,598 9.589,599 0.542,600 395.65,601 3.332,602 4.779,603 5.493,604 6.286,605 7.017,606 7.82,607 8.562,608 9.373,609 10.122,610 10.939,611 1.4,617 1,638 69,639 3,641 27,642 68,643 23,652 5,657 13,658 2,659 2,660 19,661 1,662 2,664 2,667 2,670 41,671 5,672 2,673 5,677 1,682 4,683 1,698 2,699 1,707 1,708 1,712 4,715 28,717 1,718 13,719 1,720 1,721 1,723 1,725 1,729 2,731 5.8,732 1,734 2,736 1,737 16.75,738 13.033,739 6.736,740 4.913,741 0.805,742 1.134,743 0.842,744 15.999,745 6.813,746 3.466,747 3.714,748 3.829,749 4.007,750 3.989,751 4.007,752 4.078,753 4.007,754 3.989,755 3.97,756 0.909,757 30,758 10.489,759 4.066,760 7.801,761 20.349,762 15.441,763 2.301,764 64.417,768 459.073,769 111.672,770 18.011,772 103.973,774 111.672,775 563.046,776 18.011,777 35.301,778 48.425,779 42.683,780 55.423,781 11,782 40.824,783 459.073,785 459.073,786 129.683,787 103.973,790 353.133,791 167.23,792 42.683,793 83.726,794 11.896,795 34.061,797 459.073,798 121.984,799 111.672,801 459.073,802 42.31,803 35.301,804 52.072,805 103.973,806 459.073,807 121.984,808 111.672,810 0.538,811 0.262,812 0.131,813 0.059,814 6,815 5,816 0.235,817 16,820 4.128,821 179.931,824 129.851,826 26.792,827 16.72,828 17.641,830 121.984,838 60.694,839 692.729,840 31,842 23.649,845 -1.219,846 68.083,847 78.64,848 0.213,849 0.397,850 0.577,851 0.666,852 0.727,853 0.782,854 4.663,855 1.24,856 5.442,857 3.031,858 4.174,859 4.394,860 3.017,861 6.103,862 4.131,863 5.787,864 0.957,865 6.915,866 2.467,867 3.761,868 4.007,869 2.846,870 7.154,871 3.668,872 7.041,873 0.618,874 8.513,875 1.817,876 5.68,877 6.159,878 4.492,879 9.988,880 5.561,881 8.328,882 0.312,883 10.193,884 1.125,885 6.111,886 6.538,887 4.93,888 11.866,889 5.917,890 9.65,891 0.203,892 11.926,893 0.502,894 7.531,895 8.23,896 6.167,897 14.321,898 7.31,899 10.995,900 -0.152,901 13.694,902 0.37,903 8.353,904 8.956,905 6.866,906 16.467,907 8.05,908 12.357,909 -0.394,910 15.485,911 -0.279,912 9.583,913 10.451,914 7.937,915 18.814,916 9.244,917 3.135,918 -0.537,919 17.292,920 -0.967,921 10.579,922 11.354,923 8.761,924 21.053,925 10.161,926 2.783,927 10.16,928 19.11,929 -1.084,930 11.739,931 12.746,932 9.76,933 23.368,934 11.274,935 2.098,936 8.588,937 20.936,938 3.363,939 12.809,940 13.748,941 10.646,942 25.644,943 12.27,944 1.955,945 5.641,946 22.767,947 3.188,948 13.945,949 15.079,950 11.615,951 27.951,952 13.35,953 1.833,954 3.941,955 24.602,956 2.626,957 15.047,958 16.144,959 12.533,960 30.244,961 14.381,962 1.653,963 3.769,964 26.44,965 2.195,966 16.176,967 17.435,968 13.49,969 32.551,970 15.449,971 1.454,972 3.471,973 28.281,974 1.937,975 17.294,976 18.541,977 14.425,978 34.853,979 16.495,980 11521,981 16792,982 16.466,983 41.052,984 37.792,985 39.286,986 37.369,987 36.449,988 36.482,989 40.418,990 10.579,991 89.764,992 35.8,993 5.141,994 5.84,995 6.437,996 5.128,997 5.119,998 6.138,999 4.353,1000 16.45,1001 4.907,1002 19.303,1003 1.4,1004 1.455,1005 1.384,1006 1.35,1007 1.351,1008 1.497,1009 0.392,1010 3.325,1011 1.326,1012 3.866,1013 3.919,1014 3.769,1015 3.742,1016 7.437,1017 3.731,1018 3.784,1019 3.829,1020 3.648,1021 3.645,1022 7.426,1023 3.64,1024 3.727,1025 3.784,1026 3.599,1027 3.575,1028 6.455,1029 3.571,1030 3.67,1031 3.722,1032 3.517,1033 3.531,1034 4.644,1035 3.521,1036 3.564,1037 3.634,1038 3.391,1039 3.413,1040 4.563,1041 3.399,1042 3.407,1043 3.478,1044 3.248,1045 3.255,1046 4.242,1047 3.241,1048 3.25,1049 3.306,1050 3.115,1051 3.066,1052 4.124,1053 3.056,1054 3.172,1055 3.206,1056 3.008,1057 2.868,1058 3.999,1059 2.907,1060 0.155,1061 0.144,1062 0.239,1063 0.151,1064 0.116,1065 4.187,1066 0.125,1067 3.893,1068 0.096,1069 6.447,1070 0.376,1071 4.072,1072 0.109,1073 3.135,1074 3.363,1075 2.605,1076 10.16,1077 2.93,1078 1.835,1079 1.778,1080 2.079,1081 1.985,1082 1.442,1083 2.021,1084 1.765,1085 1.718,1086 2.007,1087 1.939,1088 1.345,1089 1.95,1090 1.708,1091 1.658,1092 1.948,1093 1.905,1094 1.194,1095 1.923,1096 1.665,1097 1.615,1098 1.895,1099 1.842,1100 1.119,1101 1.855,1102 1.573,1103 1.509,1104 1.801,1105 1.768,1106 1.028,1107 1.798,1108 1.422,1109 1.352,1110 1.719,1111 1.617,1112 0.995,1113 1.657,1114 1.24,1115 1.171,1116 1.554,1117 1.45,1118 0.793,1119 1.484,1120 1.053,1121 0.996,1122 1.417,1123 1.39,1124 0.582,1125 1.332,1126 4.007,1128 5.209,1130 6.555,1132 7.976,1134 9.444,1135 7.438,1139 9.289,1140 14.156,1141 2.356,1142 5.081,1143 -1.042,1145 -0.659,1147 5.368,1148 37.417,1149 89.787,1150 167.304,1151 243.077,1152 280.739,1153 306.536,1154 329.475,1155 223.093,1156 6.009,1157 75.63,1158 75.63,1160 11.54,1161 2,1162 2.322,1163 163.242,1164 161,1165 182,1166 0.473,1167 242.464,1168 442.06,1169 583.372,1170 3039,1172 21.253,1173 0.759,1174 0.659,1175 21.253,1176 18.442,1177 13.297,1178 0.492,1179 0.405,1180 10.834,1181 12.885,1182 10.418,1183 8.901,1184 13.297,1185 10.929,1186 11.283,1187 0.353,1188 0.26,1189 11.283,1190 8.333,1191 6.758,1192 0.225,1193 0.144,1194 6.758,1195 4.307,1196 5.167,1197 0.161,1198 0.086,1199 5.167,1200 2.758,1201 3.022,1202 0.108,1203 0.058,1204 3.022,1205 1.626,1206 0.805,1207 82.814,1208 0.246,1209 28.567,1210 1.145,1211 118,1212 339.689,1213 131.014,1214 318.749,1215 405.76,1216 294,1217 121,1218 268.032,1219 131.415,1220 269.807,1221 379.66,1222 250,1223 5.921} {0 CHEMBL551092,1 1.433,2 12.571,3 3.698,4 13.673,5 96.789,6 8.582,7 0.286,8 3.876,9 4.012,10 3.546,11 3.459,12 4.876,13 3.344,14 4.414,15 4.607,16 3.928,17 3.853,18 5.319,19 3.67,20 4.748,21 5.014,22 3.978,23 3.987,24 5.682,25 3.742,26 4.758,27 5.042,28 3.625,29 3.861,30 5.675,31 3.606,32 4.625,33 4.929,34 3.465,35 3.713,36 5.35,37 3.468,38 4.508,39 4.799,40 3.475,41 3.683,42 5.227,43 3.412,44 4.458,45 4.749,46 3.436,47 3.618,48 5.207,49 3.346,50 4.368,51 4.657,52 3.391,53 3.535,54 5.144,55 3.263,56 0.076,57 0.61,58 9.987,59 5.046,60 12.359,61 6.61,62 0.122,63 0.971,64 20.789,65 9.032,66 21.119,67 11.348,68 0.309,69 1.225,70 45.461,71 12.956,72 55.009,73 15.27,74 0.382,75 1.153,76 45.446,77 12.243,78 65.661,79 14.601,80 0.203,81 1.005,82 30.538,83 10.1,84 33.569,85 12.945,86 0.164,87 0.933,88 38.267,89 10.212,90 25.208,91 12.044,92 0.174,93 0.876,94 37.458,95 9.699,96 27.047,97 11.276,98 0.165,99 0.8,100 35.464,101 8.958,102 25.921,103 10.255,104 28,105 25,106 0.253,107 0.583,108 0.769,109 0.852,110 0.874,111 0.889,112 3.099,113 1.238,114 -4.56,115 -4.49,116 -4.22,117 36.2,119 6,123 1,124 2,127 2,130 4,131 1,132 1,146 1,147 1,148 1,151 12,156 1,158 15,164 2,165 2,166 2,167 14,168 1,173 1,174 3,176 10,177 1,183 3,185 9,186 1,191 3,193 8,194 1,199 3,200 7,201 1,205 3,206 6,207 1,213 3,214 5,215 1,216 624,217 14.027,218 14.027,219 14.027,220 14.027,221 14.027,222 13.044,223 11.369,224 8.817,225 14.324,226 10.278,227 10.278,228 10.278,229 10.278,230 10.278,231 8.841,232 6.763,233 4.152,234 10.899,235 4.121,236 2.245,237 1.191,238 0.723,239 0.596,240 0.511,241 3.743,244 1,245 1,246 521,247 4,251 86.242,256 2.014,257 17.525,259 1,260 0.83,261 0.83,262 1,263 1,264 1,265 1,266 0.95,267 43.9,268 264,269 4.011,270 3.059,271 5.861,272 3.655,273 2.698,274 3.614,275 0.765,276 7.859,277 2.574,278 3.761,279 2.884,280 5.412,281 3.58,282 2.619,283 2.824,285 7.154,286 2.527,287 3.426,288 2.532,289 4.889,290 2.998,291 2.122,292 2.708,294 5.696,295 1.873,296 3.047,297 2.083,298 4.053,299 2.839,300 1.854,301 2.056,303 3.83,304 1.649,305 2.724,306 1.819,307 3.808,308 2.538,309 1.562,310 1.712,312 3.382,313 1.474,314 2.5,315 1.546,316 3.434,317 2.21,318 1.251,319 1.5,321 2.638,322 1.177,323 2.277,324 1.008,325 3.414,326 2,327 1,328 1.273,330 2.275,331 1,332 1.965,333 1,334 2.995,335 1.772,336 0.807,337 0.883,339 1.65,340 0.756,341 1.499,342 0.824,343 2.577,344 1.255,345 0.31,346 0.347,347 0.6,348 0.264,349 1.15,350 0.543,351 2.191,352 0.975,353 0.107,354 0.11,355 0.156,356 0.083,357 1.054,358 0.219,359 2,360 0.724,361 -0.159,362 -0.184,363 -0.324,364 -0.061,365 0.579,366 -0.146,367 1.833,368 0.351,369 -0.548,370 -0.599,371 -1.156,372 -0.381,373 0.5,374 -0.601,375 1.618,377 -1,378 -1.041,379 -2.226,380 -0.768,381 0.057,382 -0.946,383 1.378,384 -0.092,385 -1,386 -1.303,387 -2.807,388 -1,389 -0.126,390 -1,391 1.236,392 -0.384,393 -1.275,394 -1.441,395 -2.969,396 -1.087,397 11.21,398 0.534,399 0.37,400 0.018,401 18.25,402 0.869,403 7,404 0.333,405 11.25,406 0.536,407 22.338,408 1.064,409 24.19,410 0.515,411 9.433,412 0.449,413 3.064,414 0.146,415 7.066,416 0.336,417 0.242,419 0.178,420 1.088,421 1.066,422 0.516,423 0.677,424 1.138,425 0.982,426 0.891,427 1.219,428 0.575,429 0.774,430 0.893,431 1.115,432 0.722,433 0.991,434 0.808,435 0.875,436 0.711,437 0.994,438 1.062,439 0.911,440 0.649,441 0.755,442 1.053,443 0.955,444 0.803,445 0.845,446 0.27,447 0.479,448 0.796,449 0.818,450 0.713,451 0.969,452 0.785,453 0.867,454 0.729,455 0.984,456 0.862,457 0.938,458 0.825,459 0.875,460 0.878,461 0.963,462 0.935,463 0.938,464 0.898,465 0.917,466 0.947,467 0.966,468 3.5,469 0.07,470 2,471 0.625,472 0.502,473 0.257,474 0.183,475 0.137,476 0.107,477 0.066,478 5035,479 14277,480 1.893,481 55.3,482 12,483 10,486 4,490 1.617,491 1.775,492 3.621,493 1.827,495 1,496 1,497 67.367,498 1.433,499 3.31,500 4.363,501 4.831,502 4.959,503 5.044,504 3.082,505 3.63,506 4.367,507 3.793,508 796.572,509 7.407,510 9777.76,511 1,512 1,513 261.066,514 1.34,515 4.32,516 0.167,517 0.006,518 0.08,519 0.026,520 0.028,521 0.016,522 0.012,523 0.01,524 0.008,525 0.005,526 0.359,527 0.17,528 1,529 2.966,530 101.152,531 -0.134,532 0.151,533 -0.006,534 0.055,535 -0.168,536 0.051,537 -0.074,538 -0.119,539 0.007,540 -0.014,541 -0.072,542 -0.111,543 0.129,545 -0.008,546 -0.007,547 0.145,548 -0.03,549 0.039,550 0.007,551 -0.018,552 -0.007,553 0.04,554 -0.046,555 -0.023,556 0.04,557 0.043,558 0.072,559 -0.026,560 0.061,561 -0.018,562 -0.026,563 -0.02,564 -0.025,565 -0.039,566 -0.031,567 -0.043,568 -0.003,569 -0.022,570 -0.012,571 -0.065,572 -0.015,573 -0.054,574 0.003,575 -0.027,576 -0.012,577 -0.07,578 -0.012,579 2.073,580 3.532,581 0.286,582 20.34,583 0.985,584 1.128,585 3.333,586 11.108,587 0.67,588 3.091,589 3.258,590 3.332,591 3.296,592 3.367,593 3.178,594 3.045,595 2.996,596 2.944,597 2.89,598 7.464,599 0.588,600 403.34,601 3.091,602 4.533,603 5.283,604 6.057,605 6.823,606 7.599,607 8.372,608 9.149,609 9.925,610 10.703,611 2.1,612 1,623 4,628 2,630 6,637 1,638 47,639 7,640 1,641 21,642 47,643 17,644 6,645 2,646 4,648 1,649 1,652 1,657 8,659 8,660 9,662 1,665 2,669 1,670 26,671 3,672 4,673 4,674 1,675 1,677 1,681 1,682 2,683 1,684 1,693 1,702 2,704 1,708 2,710 1,714 1,715 21,716 1,717 2,718 7,721 2,730 1,731 4.3,732 2,737 11.833,738 7.543,739 5.028,740 2.911,741 1.364,742 1.235,743 0.877,744 9.913,745 7.181,746 3.258,747 3.624,748 3.956,749 4.254,750 4.652,751 4.363,752 4.132,753 4.116,754 4.132,755 4.171,756 1,757 24,758 7.798,759 3.069,760 7.72,761 15.243,762 11.955,763 2.22,764 46.62,765 0.001,767 1,768 258.964,769 133.692,770 32.897,772 85.367,773 56.782,774 76.91,775 344.331,776 32.897,778 48.104,779 142.224,781 4.845,783 315.746,785 258.964,786 109.807,787 85.367,789 56.782,790 258.964,792 85.367,793 48.104,794 42.75,795 18.952,796 56.782,797 258.964,798 118.264,799 76.91,800 56.782,801 258.964,802 20.052,803 113.639,805 118.264,806 258.964,807 118.264,808 76.91,809 56.782,810 0.548,811 0.301,812 0.129,813 0.065,814 7,815 4,816 0.213,817 10,819 1,820 3.529,821 125.806,823 6,824 88.239,826 18.62,827 11.18,828 8.559,830 118.264,831 8.721,836 2.697,838 118.264,839 510.92,840 25,843 3.645,846 46.312,847 53.035,848 0.258,849 0.596,850 0.785,851 0.87,852 0.893,853 0.908,854 4.413,855 0.807,856 5.187,857 2.275,858 3.932,859 4.304,860 0.775,861 5.79,862 3.824,863 5.51,864 0.31,865 6.632,866 1.65,867 3.219,868 3.689,870 6.326,871 2.879,872 6.721,873 0.107,874 8.176,875 0.6,876 5.333,877 6.193,878 0.521,879 9.283,880 5.148,881 7.964,882 -0.159,883 9.78,884 0.156,885 5.442,886 6.384,888 10.653,889 5.055,890 9.238,891 -0.548,892 11.422,893 -0.324,894 6.976,895 8.374,896 0.336,897 13.079,898 6.715,899 10.532,900 -1,901 13.091,902 -1.156,903 7.492,904 8.966,906 14.795,907 7.069,908 11.842,909 -1,910 14.779,911 -2.226,912 8.756,913 10.708,914 0.21,915 17.013,916 8.416,917 2.698,918 -1.275,919 16.48,920 -2.807,921 9.485,922 11.532,924 18.89,925 9.018,926 2.619,927 7.859,928 18.192,929 -2.969,930 10.614,931 13.128,932 0.128,933 21.016,934 10.191,935 2.122,936 7.154,937 19.912,938 3.614,939 11.458,940 14.101,942 22.974,943 10.935,944 1.854,945 5.696,946 21.639,947 2.824,948 12.517,949 15.601,950 0.077,951 25.057,952 12.01,953 1.562,954 3.83,955 23.37,956 2.708,957 13.424,958 16.673,960 27.056,961 12.834,962 1.251,963 3.382,964 25.105,965 2.056,966 14.446,967 18.107,968 0.046,969 29.12,970 13.852,971 1,972 2.638,973 26.844,974 1.712,975 15.386,976 19.247,978 31.142,979 14.724,980 5263,981 8932,982 13.405,983 31.472,984 28.993,985 29.407,986 30.033,987 28.978,988 28.661,989 34.056,990 1.529,991 70.479,992 26.753,993 4.927,994 5.059,995 5.752,996 4.655,997 4.698,998 6.614,999 1.529,1000 13.467,1001 4.574,1002 12.098,1003 1.381,1004 1.4,1005 1.43,1006 1.38,1007 1.365,1008 1.622,1009 0.073,1010 3.356,1011 1.274,1012 3.937,1013 3.97,1014 10.695,1015 4.032,1016 6.467,1017 3.886,1018 3.809,1019 3.855,1020 3.806,1021 3.709,1022 6.44,1023 3.687,1024 3.667,1025 3.727,1026 3.689,1027 3.574,1028 4.972,1029 3.518,1030 3.465,1031 3.532,1032 3.506,1033 3.422,1034 4.724,1035 3.309,1036 3.226,1037 3.293,1038 3.287,1039 3.234,1040 4.332,1041 3.071,1042 2.985,1043 3.049,1044 3.02,1045 2.974,1046 4.063,1047 2.808,1048 2.854,1049 2.938,1050 2.752,1051 2.735,1052 3.763,1053 2.715,1054 2.822,1055 2.925,1056 2.687,1057 2.659,1058 3.674,1059 2.556,1060 0.191,1061 0.146,1062 0.279,1063 0.174,1064 0.128,1065 4.011,1066 0.172,1067 3.059,1068 0.036,1069 5.861,1070 0.374,1071 3.655,1072 0.123,1073 2.698,1074 3.614,1075 0.765,1076 7.859,1077 2.574,1078 1.929,1079 1.902,1080 2.07,1081 2.005,1082 1.395,1083 2.034,1084 1.797,1085 1.75,1086 1.981,1087 1.941,1088 1.215,1089 1.958,1090 1.662,1091 1.609,1092 1.87,1093 1.843,1094 1.112,1095 1.861,1096 1.47,1097 1.406,1098 1.724,1099 1.656,1100 0.972,1101 1.688,1102 1.229,1103 1.165,1104 1.51,1105 1.439,1106 0.715,1107 1.468,1108 0.965,1109 0.9,1110 1.293,1111 1.244,1112 0.496,1113 1.258,1114 0.886,1115 0.821,1116 1.181,1117 1.16,1118 0.281,1119 1.169,1120 0.757,1121 0.679,1122 1.149,1123 1.062,1124 0.218,1125 1.107,1126 3.761,1128 4.963,1130 6.337,1132 7.786,1134 9.275,1137 2.325,1138 5.51,1139 18.326,1140 6.71,1143 -1.314,1148 27.616,1149 67.367,1150 155.556,1151 205.066,1152 227.066,1153 233.066,1154 237.066,1155 58.32,1156 5.817,1157 66.48,1158 66.48,1159 6,1160 11.318,1161 3,1162 2.322,1163 54.625,1164 96,1165 74,1166 0.27,1167 187.109,1168 322.7,1169 448.306,1170 2353,1171 2.1,1172 15.502,1173 0.738,1174 0.694,1175 17.002,1176 14.576,1177 10.13,1178 0.482,1179 0.413,1180 7.604,1181 9.234,1182 7.377,1183 6.167,1184 10.996,1185 8.667,1186 8.187,1187 0.327,1188 0.264,1189 9.412,1190 6.59,1191 6.273,1192 0.232,1193 0.156,1194 7.139,1195 4.201,1196 3.911,1197 0.15,1198 0.094,1199 4.411,1200 2.442,1201 2.839,1202 0.101,1203 0.065,1204 3.546,1205 1.824,1206 0.456,1207 75.922,1208 0.273,1209 22.186,1210 0.656,1211 92,1212 223.26,1213 245.479,1214 259.501,1215 327.02,1216 240,1217 98,1218 186.731,1219 150.263,1220 207.373,1221 294.5,1222 195,1223 5.402} {0 CHEMBL551232,1 1.39,2 14.13,3 4.61,4 21.253,5 105.991,6 8.14,7 0.261,8 3.989,9 4.128,10 3.611,11 3.564,12 4.953,13 3.447,14 4.542,15 4.743,16 3.98,17 3.96,18 5.406,19 3.773,20 4.882,21 5.158,22 4.028,23 4.096,24 5.762,25 3.847,26 4.891,27 5.182,28 3.696,29 3.983,30 5.756,31 3.725,32 4.776,33 5.085,34 3.546,35 3.854,36 5.46,37 3.604,38 4.676,39 4.974,40 3.556,41 3.828,42 5.35,43 3.555,44 4.634,45 4.933,46 3.52,47 3.772,48 5.332,49 3.498,50 4.559,51 4.857,52 3.479,53 3.701,54 5.276,55 3.427,56 0.082,57 0.687,58 12.071,59 5.757,60 11.196,61 7.638,62 0.136,63 1.099,64 24.708,65 10.252,66 19.812,67 13.07,68 0.329,69 1.382,70 49.728,71 14.445,72 54.667,73 17.41,74 0.394,75 1.308,76 48.939,77 13.642,78 64.183,79 16.681,80 0.215,81 1.161,82 34.477,83 11.547,84 32.124,85 15.014,86 0.179,87 1.09,88 41.881,89 11.669,90 23.984,91 14.145,92 0.188,93 1.033,94 41.048,95 11.153,96 25.737,97 13.38,98 0.18,99 0.958,100 39.122,101 10.423,102 24.976,103 12.373,104 30,105 27,106 0.238,107 0.544,108 0.72,109 0.814,110 0.859,111 0.878,112 3.185,113 1.261,114 -5.01,115 -4.91,116 -4.61,117 35.8,119 8,123 1,124 2,127 2,130 4,131 1,132 1,146 1,147 1,148 1,151 14,156 1,158 17,164 2,165 2,166 2,167 16,168 1,173 1,174 3,176 12,177 1,183 3,185 11,186 1,191 3,193 10,194 1,199 3,200 9,201 1,205 3,206 8,207 1,213 3,214 7,215 1,216 838,217 15.441,218 15.441,219 15.441,220 15.441,221 15.441,222 14.458,223 11.369,224 9.817,225 15.738,226 11.278,227 11.278,228 11.278,229 11.278,230 11.278,231 9.841,232 6.763,233 4.652,234 11.899,235 4.338,236 2.556,237 1.529,238 0.981,239 0.717,240 0.604,241 3.833,244 1,245 1,246 643,247 4.243,251 97.104,256 2.299,257 17.828,259 1,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.86,267 47.9,268 325,269 4.011,270 3.059,271 5.861,272 3.655,273 2.698,274 3.614,275 0.765,276 7.859,277 2.574,278 3.761,279 2.884,280 5.412,281 3.58,282 2.619,283 2.824,285 7.154,286 2.527,287 3.426,288 2.532,289 4.889,290 3,291 2.122,292 2.708,294 5.696,295 1.913,296 3.051,297 2.088,298 4.055,299 2.889,300 1.902,301 2.061,303 3.877,304 1.715,305 2.826,306 1.857,307 3.873,308 2.659,309 1.674,310 1.821,312 3.548,313 1.562,314 2.5,315 1.692,316 3.601,317 2.383,318 1.414,319 1.5,321 3.015,322 1.345,323 2.486,324 1.305,325 3.414,326 2.07,327 1.103,328 1.475,330 2.277,331 1.047,332 2.142,333 1,334 3.248,335 2,336 1,337 1.131,339 2.275,340 1,341 1.857,342 0.893,343 2.871,344 1.662,345 0.692,346 0.759,347 1.406,348 0.651,349 1.432,350 0.79,351 2.512,352 1.221,353 0.275,354 0.301,355 0.523,356 0.234,357 1.144,358 0.489,359 2.17,360 0.976,361 0.103,362 0.106,363 0.153,364 0.08,365 1.05,366 0.199,367 2,368 0.752,369 -0.144,370 -0.164,371 -0.293,372 -0.059,373 0.645,374 -0.128,375 1.847,376 0.426,377 -0.479,378 -0.523,379 -0.996,380 -0.334,381 0.5,382 -0.523,383 1.639,384 0.049,385 -0.877,386 -0.91,387 -1.896,388 -0.692,389 0.173,390 -0.886,391 1.432,393 -1,394 -1.262,395 -2.686,396 -0.986,397 12.21,398 0.531,399 0.37,400 0.016,401 19.25,402 0.837,403 7,404 0.304,405 12.25,406 0.533,407 25.888,408 1.126,409 26.79,410 0.505,411 9.628,412 0.419,413 3.064,414 0.133,415 8.066,416 0.351,417 0.222,419 0.164,420 1.086,421 1.108,422 0.524,423 0.715,424 1.127,425 1.028,426 0.882,427 1.246,428 0.576,429 0.806,430 0.874,431 1.149,432 0.707,433 0.988,434 0.792,435 0.869,436 0.69,437 0.987,438 1.034,439 0.918,440 0.639,441 0.759,442 1.02,443 0.954,444 0.775,445 0.86,446 0.27,447 0.5,448 0.761,449 0.833,450 0.68,451 0.966,452 0.748,453 0.848,454 0.686,455 0.974,456 0.812,457 0.939,458 0.779,459 0.852,460 0.819,461 0.955,462 0.867,463 0.936,464 0.834,465 0.881,466 0.88,467 0.956,468 3.5,469 0.07,470 2,471 0.625,472 0.502,473 0.257,474 0.183,475 0.137,476 0.107,477 0.086,478 6829,479 18095,480 1.902,481 56.6,482 16,483 10,486 4,490 1.642,491 1.792,492 3.78,493 1.736,496 1,497 73.662,498 1.39,499 3.172,500 4.199,501 4.747,502 5.011,503 5.124,504 3.241,505 3.741,506 4.498,507 3.969,508 1004.09,509 7.666,510 13614.6,511 1,513 303.58,514 1.28,515 4.458,516 0.152,517 0.005,518 0.074,519 0.024,520 0.025,521 0.014,522 0.011,523 0.009,524 0.007,525 0.006,526 0.328,527 0.17,528 0.88,529 3.192,530 115.515,531 -0.122,532 0.134,533 -0.005,534 0.05,535 -0.15,536 0.045,537 -0.068,538 -0.133,539 0.006,540 -0.026,541 -0.059,542 -0.124,543 0.133,544 0.002,545 -0.003,546 -0.002,547 0.153,548 -0.02,549 0.048,550 0.006,551 -0.015,552 -0.006,553 0.054,554 -0.039,555 -0.016,556 0.034,557 0.04,558 0.065,559 -0.017,560 0.053,561 -0.01,562 -0.022,563 -0.015,564 -0.019,565 -0.026,566 -0.023,567 -0.031,568 -0.002,569 -0.016,570 -0.008,571 -0.047,572 -0.009,573 -0.037,574 0.002,575 -0.019,576 -0.007,577 -0.058,578 -0.006,579 2.068,580 3.554,581 0.261,582 25.323,583 0.983,584 1.13,585 3.783,586 14.314,587 0.66,588 3.178,589 3.332,590 3.401,591 3.367,592 3.434,593 3.258,594 3.135,595 3.091,596 3.045,597 2.996,598 8.371,599 0.579,600 431.4,601 3.178,602 4.615,603 5.361,604 6.129,605 6.891,606 7.662,607 8.429,608 9.202,609 9.973,610 10.748,611 1.9,612 1,623 4,628 2,630 6,637 1,638 53,639 7,640 1,641 23,642 53,643 19,644 6,645 2,646 4,648 1,649 1,652 1,657 10,659 8,660 11,662 1,665 2,669 1,670 30,671 3,672 4,673 4,674 1,675 1,677 1,681 1,682 2,683 1,684 1,693 1,702 2,704 1,708 2,710 1,714 1,715 23,716 1,717 2,718 9,721 2,730 1,731 3.8,732 2,737 12.833,738 8.543,739 5.528,740 3.411,741 1.309,742 1.219,743 0.879,744 11.589,745 7.282,746 3.332,747 3.676,748 3.994,749 4.282,750 4.671,751 4.388,752 4.164,753 4.148,754 4.132,755 4.116,756 1,757 26,758 8.555,759 3.355,760 7.657,761 16.876,762 13.289,763 2.157,764 49.62,765 0.001,767 1,768 306.049,769 138.761,770 32.897,772 85.367,773 56.782,774 81.979,775 391.415,776 32.897,778 53.173,779 142.224,781 4.845,783 362.831,785 306.049,786 114.876,787 85.367,789 56.782,790 306.049,792 85.367,793 53.173,794 42.75,795 18.952,796 56.782,797 306.049,798 118.264,799 81.979,800 56.782,801 306.049,802 25.121,803 113.639,805 118.264,806 306.049,807 118.264,808 81.979,809 56.782,810 0.543,811 0.296,812 0.129,813 0.065,814 7,815 4,816 0.226,817 12,819 1,820 3.784,821 140.637,823 6,824 98.042,826 20.616,827 12.929,828 10.122,830 118.264,831 8.804,836 2.737,838 118.264,839 563.073,840 27,843 3.666,846 52.08,847 59.866,848 0.243,849 0.554,850 0.733,851 0.829,852 0.875,853 0.895,854 4.483,855 1,856 5.252,857 2.277,858 4.007,859 4.357,860 0.775,861 5.838,862 3.908,863 5.565,864 0.692,865 6.683,866 2.275,867 3.219,868 3.689,870 6.326,871 2.879,872 6.765,873 0.275,874 8.215,875 1.406,876 5.389,877 6.217,878 0.521,879 9.3,880 5.216,881 7.999,882 0.103,883 9.808,884 0.523,885 5.442,886 6.384,888 10.653,889 5.055,890 9.265,891 -0.144,892 11.442,893 0.153,894 7.013,895 8.384,896 0.336,897 13.084,898 6.763,899 10.553,900 -0.479,901 13.105,902 -0.293,903 7.492,904 8.966,906 14.795,907 7.069,908 11.858,909 -0.877,910 14.788,911 -0.996,912 8.778,913 10.711,914 0.21,915 17.015,916 8.446,917 2.698,918 -1,919 16.487,920 -1.896,921 9.485,922 11.532,924 18.89,925 9.018,926 2.619,927 7.859,928 18.197,929 -2.686,930 10.627,931 13.129,932 0.128,933 21.016,934 10.21,935 2.122,936 7.154,937 19.915,938 3.614,939 11.458,940 14.101,942 22.974,943 10.935,944 1.902,945 5.696,946 21.641,947 2.824,948 12.524,949 15.601,950 0.077,951 25.057,952 12.021,953 1.674,954 3.877,955 23.371,956 2.708,957 13.424,958 16.673,960 27.056,961 12.834,962 1.414,963 3.548,964 25.106,965 2.061,966 14.45,967 18.107,968 0.046,969 29.12,970 13.859,971 1.103,972 3.015,973 26.845,974 1.821,975 15.386,976 19.247,978 31.142,979 14.724,980 7081,981 11618,982 14.792,983 34.995,984 31.509,985 31.968,986 32.518,987 31.529,988 31.204,989 36.599,990 1.529,991 75.565,992 29.297,993 4.951,994 5.059,995 5.786,996 4.655,997 4.698,998 6.614,999 1.529,1000 13.467,1001 4.574,1002 13.04,1003 1.37,1004 1.39,1005 1.414,1006 1.371,1007 1.357,1008 1.591,1009 0.066,1010 3.285,1011 1.274,1012 3.938,1013 3.972,1014 10.695,1015 4.032,1016 6.467,1017 3.886,1018 3.822,1019 3.869,1020 3.806,1021 3.721,1022 6.44,1023 3.699,1024 3.709,1025 3.766,1026 3.697,1027 3.607,1028 4.972,1029 3.567,1030 3.551,1031 3.618,1032 3.553,1033 3.478,1034 4.724,1035 3.395,1036 3.355,1037 3.423,1038 3.375,1039 3.326,1040 4.335,1041 3.199,1042 3.139,1043 3.209,1044 3.164,1045 3.133,1046 4.13,1047 2.975,1048 2.936,1049 3.007,1050 2.918,1051 2.88,1052 3.892,1053 2.742,1054 2.854,1055 2.925,1056 2.697,1057 2.735,1058 3.674,1059 2.715,1060 0.174,1061 0.133,1062 0.255,1063 0.159,1064 0.117,1065 4.011,1066 0.157,1067 3.059,1068 0.033,1069 5.861,1070 0.342,1071 3.655,1072 0.112,1073 2.698,1074 3.614,1075 0.765,1076 7.859,1077 2.574,1078 1.929,1079 1.902,1080 2.078,1081 2.007,1082 1.42,1083 2.037,1084 1.814,1085 1.764,1086 2.007,1087 1.954,1088 1.278,1089 1.976,1090 1.707,1091 1.656,1092 1.908,1093 1.878,1094 1.144,1095 1.894,1096 1.556,1097 1.494,1098 1.801,1099 1.741,1100 1.064,1101 1.772,1102 1.365,1103 1.299,1104 1.637,1105 1.557,1106 0.885,1107 1.591,1108 1.143,1109 1.075,1110 1.448,1111 1.371,1112 0.657,1113 1.4,1114 0.915,1115 0.846,1116 1.261,1117 1.216,1118 0.476,1119 1.227,1120 0.886,1121 0.821,1122 1.181,1123 1.138,1124 0.288,1125 1.156,1126 3.85,1128 5.043,1130 6.405,1132 7.843,1134 9.321,1137 2.339,1138 5.523,1139 18.369,1140 9.488,1143 -1.305,1148 30.67,1149 73.662,1150 168.122,1151 222.56,1152 251.58,1153 265.58,1154 271.58,1155 69.043,1156 5.974,1157 66.48,1158 66.48,1159 6,1160 11.367,1161 3,1162 2.322,1163 63.5,1164 118,1165 91,1166 0.251,1167 206.294,1168 357.3,1169 495.116,1170 3045,1171 1.9,1172 16.916,1173 0.735,1174 0.695,1175 18.416,1176 15.99,1177 11.13,1178 0.484,1179 0.42,1180 8.604,1181 10.234,1182 8.357,1183 7,1184 11.996,1185 9.667,1186 8.894,1187 0.329,1188 0.27,1189 10.119,1190 7.297,1191 6.773,1192 0.234,1193 0.162,1194 7.639,1195 4.701,1196 4.265,1197 0.152,1198 0.1,1199 4.765,1200 2.795,1201 3.089,1202 0.103,1203 0.069,1204 3.796,1205 2.074,1206 0.43,1207 81.922,1208 0.26,1209 24.226,1210 0.602,1211 100,1212 231.26,1213 253.479,1214 267.824,1215 338.54,1216 248,1217 106,1218 194.731,1219 158.263,1220 215.696,1221 306.02,1222 203,1223 6.301} {0 CHEMBL559072,1 1.309,2 18,3 6.891,4 47.487,5 128.996,6 7.376,7 0.214,8 4.226,9 4.371,10 3.758,11 3.786,12 5.123,13 3.664,14 4.805,15 5.019,16 4.098,17 4.187,18 5.594,19 3.991,20 5.156,21 5.448,22 4.143,23 4.326,24 5.938,25 4.069,26 5.163,27 5.465,28 3.852,29 4.237,30 5.933,31 3.973,32 5.077,33 5.393,34 3.726,35 4.138,36 5.692,37 3.879,38 5.003,39 5.313,40 3.734,41 4.118,42 5.606,43 3.842,44 4.973,45 5.284,46 3.704,47 4.077,48 5.592,49 3.8,50 4.921,51 5.231,52 3.67,53 4.026,54 5.549,55 3.748,56 0.099,57 0.879,58 16.89,59 7.518,60 11.417,61 10.161,62 0.168,63 1.416,64 33.443,65 13.22,66 20.689,67 17.26,68 0.372,69 1.772,70 59.292,71 18.064,72 57.598,73 22.592,74 0.424,75 1.693,76 57.145,77 17.109,78 64.965,79 21.757,80 0.246,81 1.549,82 43.538,83 15.1,84 33.208,85 20.075,86 0.215,87 1.48,88 50.328,89 15.235,90 26.096,91 19.259,92 0.222,93 1.423,94 49.461,95 14.714,96 27.528,97 18.5,98 0.215,99 1.348,100 47.651,101 14.004,102 26.85,103 17.516,104 35,105 32,106 0.212,107 0.465,108 0.613,109 0.699,110 0.76,111 0.815,112 3.372,113 1.304,114 -6.07,115 -5.92,116 -5.5,117 35.3,119 13,123 1,124 2,127 2,130 4,131 1,132 1,146 1,147 1,148 1,151 19,156 1,158 22,164 2,165 2,166 2,167 21,168 1,173 1,174 3,176 17,177 1,183 3,185 16,186 1,191 3,193 15,194 1,199 3,200 14,201 1,205 3,206 13,207 1,213 3,214 12,215 1,216 1576,217 18.976,218 18.976,219 18.976,220 18.976,221 18.976,222 17.993,223 11.369,224 12.317,225 19.273,226 13.778,227 13.778,228 13.778,229 13.778,230 13.778,231 12.341,232 6.763,233 5.902,234 14.399,235 4.778,236 3.217,237 2.303,238 1.775,239 1.396,240 1.058,241 4.029,246 1001,247 4.796,251 124.638,256 3,257 18.308,259 0.5,260 0.5,261 0.67,262 0.9,263 1,264 0.67,265 0.5,266 0.68,267 57.9,268 504,269 4.011,270 3.059,271 5.861,272 3.655,273 2.698,274 3.614,275 0.765,276 7.859,277 2.574,278 3.761,279 2.884,280 5.412,281 3.58,282 2.619,283 2.824,285 7.154,286 2.527,287 3.426,288 2.532,289 4.889,290 3.003,291 2.122,292 2.708,294 5.696,295 1.959,296 3.053,297 2.09,298 4.056,299 2.945,300 1.955,301 2.062,303 3.936,304 1.846,305 2.929,306 1.931,307 3.944,308 2.824,309 1.833,310 1.928,312 3.755,313 1.695,314 2.763,315 1.815,316 3.806,317 2.648,318 1.659,319 1.757,321 3.472,322 1.571,323 2.53,324 1.671,325 3.606,326 2.444,327 1.465,328 1.522,330 3.079,331 1.41,332 2.5,333 1.416,334 3.414,335 2.223,336 1.249,337 1.5,339 2.581,340 1.199,341 2.266,342 1.108,343 3.362,344 2,345 1,346 1.263,347 2.275,348 1,349 2.047,350 1,351 3.09,352 1.958,353 0.982,354 1.017,355 1.998,356 0.944,357 1.797,358 0.86,359 2.81,360 1.65,361 0.672,362 0.72,363 1.359,364 0.642,365 1.48,366 0.762,367 2.536,368 1.323,369 0.355,370 0.383,371 0.704,372 0.324,373 1.208,374 0.515,375 2.269,376 1.045,377 0.146,378 0.148,379 0.218,380 0.121,381 1.107,382 0.277,383 2,384 0.913,389 0.906,390 0.039,391 2,392 0.675,393 -0.237,394 -0.262,395 -0.483,396 -0.127,397 14.71,398 0.525,399 0.37,400 0.013,401 21.75,402 0.777,403 7,404 0.25,405 14.75,406 0.527,407 35.173,408 1.256,409 33.29,410 0.49,411 10.036,412 0.358,413 3.064,414 0.109,415 10.566,416 0.377,417 0.184,419 0.136,420 1.086,421 1.183,422 0.545,423 0.798,424 1.112,425 1.113,426 0.875,427 1.296,428 0.585,429 0.875,430 0.847,431 1.212,432 0.688,433 0.986,434 0.769,435 0.866,436 0.66,437 0.98,438 0.991,439 0.932,440 0.627,441 0.772,442 0.969,443 0.954,444 0.736,445 0.886,446 0.276,447 0.549,448 0.71,449 0.861,450 0.636,451 0.964,452 0.696,453 0.831,454 0.626,455 0.965,456 0.744,457 0.943,458 0.715,459 0.829,460 0.734,461 0.95,462 0.777,463 0.941,464 0.748,465 0.844,466 0.771,467 0.948,468 3.5,469 0.07,470 2,471 0.625,472 0.502,473 0.257,474 0.183,475 0.137,476 0.107,477 0.086,478 12994,479 30160,480 1.919,481 58.8,482 26,483 10,486 4,490 1.695,491 1.826,492 4.115,493 1.556,496 1,497 89.031,498 1.309,499 2.87,500 3.784,501 4.312,502 4.692,503 5.029,504 3.539,505 3.95,506 4.781,507 4.329,508 1636.18,509 8.229,510 27451.4,513 413.947,514 1.149,515 4.753,516 0.125,517 0.004,518 0.063,519 0.02,520 0.02,521 0.011,522 0.008,523 0.007,524 0.005,525 0.005,526 0.268,527 0.17,528 0.63,529 3.663,530 152.75,531 -0.103,532 0.105,533 -0.005,534 0.042,535 -0.119,536 0.034,537 -0.062,538 -0.158,539 0.001,540 -0.051,541 -0.042,542 -0.147,543 0.136,544 0.003,545 0.005,546 0.004,547 0.163,548 -0.008,549 0.06,550 0.004,551 -0.011,552 -0.004,553 0.074,554 -0.028,555 -0.008,556 0.025,557 0.035,558 0.052,559 -0.004,560 0.039,561 -0.001,562 -0.015,563 -0.008,564 -0.012,565 -0.01,566 -0.013,567 -0.015,568 -0.002,569 -0.008,570 -0.004,571 -0.024,572 -0.004,573 -0.018,574 0.002,575 -0.009,576 -0.002,577 -0.029,578 -0.001,579 2.063,580 3.598,581 0.214,582 40.327,583 0.978,584 1.131,585 4.84,586 23.427,587 0.644,588 3.367,589 3.497,590 3.555,591 3.526,592 3.584,593 3.434,594 3.332,595 3.296,596 3.258,597 3.219,598 10.594,599 0.563,600 501.55,601 3.367,602 4.796,603 5.533,604 6.29,605 7.041,606 7.802,607 8.56,608 9.324,609 10.086,610 10.852,611 1.5,612 1,623 4,628 2,630 6,637 1,638 68,639 7,640 1,641 28,642 68,643 24,644 6,645 2,646 4,648 1,649 1,652 1,657 15,659 8,660 16,662 1,665 2,670 40,671 3,672 4,673 4,674 1,675 1,677 1,681 1,682 2,683 1,684 1,693 1,702 2,704 1,708 2,710 1,714 1,715 28,716 1,717 2,718 14,721 2,730 1,731 2.9,732 2,737 15.333,738 11.043,739 6.778,740 4.661,741 1.192,742 1.189,743 0.883,744 15.942,745 7.507,746 3.497,747 3.795,748 4.082,749 4.349,750 4.717,751 4.449,752 4.239,753 4.224,754 4.209,755 4.194,756 0.917,757 31,758 10.446,759 4.071,760 7.54,761 20.958,762 16.622,763 2.04,764 57.12,768 423.76,769 151.434,770 32.897,772 85.367,773 56.782,774 94.652,775 509.126,776 32.897,778 65.846,779 142.224,781 4.845,783 480.542,785 423.76,786 127.549,787 85.367,789 56.782,790 423.76,792 85.367,793 65.846,794 42.75,795 18.952,796 56.782,797 423.76,798 118.264,799 94.652,800 56.782,801 423.76,802 37.794,803 113.639,805 118.264,806 423.76,807 118.264,808 94.652,809 56.782,810 0.536,811 0.288,812 0.128,813 0.064,814 7,815 4,816 0.25,817 17,819 1,820 4.4,821 179.081,823 6,824 126.606,826 25.608,827 17.432,828 14.256,830 118.264,831 8.917,836 2.79,838 118.264,839 693.457,840 32,843 3.694,846 66.498,847 76.942,848 0.215,849 0.472,850 0.622,851 0.708,852 0.771,853 0.826,854 4.64,855 1.249,856 5.398,857 3.079,858 4.174,859 4.477,860 0.775,861 5.948,862 4.091,863 5.691,864 1,865 6.801,866 2.581,867 3.219,868 3.689,870 6.326,871 2.879,872 6.869,873 0.982,874 8.305,875 2.275,876 5.517,877 6.275,878 0.521,879 9.343,880 5.367,881 8.081,882 0.672,883 9.875,884 1.998,885 5.442,886 6.384,888 10.653,889 5.055,890 9.33,891 0.355,892 11.49,893 1.359,894 7.099,895 8.406,896 0.336,897 13.098,898 6.872,899 10.603,900 0.146,901 13.139,902 0.704,903 7.492,904 8.966,906 14.795,907 7.069,908 11.897,910 14.813,911 0.218,912 8.831,913 10.719,914 0.21,915 17.018,916 8.519,917 2.698,918 -0.237,919 16.504,921 9.485,922 11.532,924 18.89,925 9.018,926 2.619,927 7.859,928 18.208,929 -0.483,930 10.657,931 13.131,932 0.128,933 21.017,934 10.255,935 2.122,936 7.154,937 19.923,938 3.614,939 11.458,940 14.101,942 22.974,943 10.935,944 1.955,945 5.696,946 21.646,947 2.824,948 12.541,949 15.602,950 0.077,951 25.057,952 12.048,953 1.833,954 3.936,955 23.375,956 2.708,957 13.424,958 16.673,960 27.056,961 12.834,962 1.659,963 3.755,964 25.109,965 2.062,966 14.459,967 18.108,968 0.046,969 29.12,970 13.875,971 1.465,972 3.472,973 26.846,974 1.928,975 15.386,976 19.247,978 31.142,979 14.724,980 13306,981 20433,982 18.257,983 43.802,984 37.828,985 38.387,986 38.716,987 37.897,988 37.507,989 42.895,990 1.529,991 88.172,992 35.624,993 4.98,994 5.059,995 5.825,996 4.655,997 4.698,998 6.614,999 1.529,1000 13.467,1001 4.574,1002 15.247,1003 1.351,1004 1.371,1005 1.383,1006 1.353,1007 1.34,1008 1.532,1009 0.055,1010 3.149,1011 1.272,1012 3.941,1013 3.978,1014 10.695,1015 4.033,1016 6.467,1017 3.887,1018 3.842,1019 3.893,1020 3.808,1021 3.741,1022 6.44,1023 3.718,1024 3.763,1025 3.818,1026 3.708,1027 3.655,1028 4.972,1029 3.63,1030 3.673,1031 3.736,1032 3.616,1033 3.571,1034 4.724,1035 3.526,1036 3.549,1037 3.618,1038 3.506,1039 3.465,1040 4.339,1041 3.393,1042 3.404,1043 3.475,1044 3.37,1045 3.345,1046 4.206,1047 3.245,1048 3.244,1049 3.318,1050 3.213,1051 3.202,1052 4.071,1053 3.079,1054 3.077,1055 3.153,1056 3.033,1057 3.027,1058 3.906,1059 2.9,1060 0.143,1061 0.109,1062 0.209,1063 0.131,1064 0.096,1065 4.011,1066 0.129,1067 3.059,1068 0.027,1069 5.861,1070 0.281,1071 3.655,1072 0.092,1073 2.698,1074 3.614,1075 0.765,1076 7.859,1077 2.574,1078 1.929,1079 1.902,1080 2.089,1081 2.01,1082 1.449,1083 2.041,1084 1.836,1085 1.781,1086 2.046,1087 1.976,1088 1.372,1089 2.005,1090 1.771,1091 1.719,1092 1.979,1093 1.925,1094 1.261,1095 1.945,1096 1.679,1097 1.623,1098 1.899,1099 1.853,1100 1.153,1101 1.876,1102 1.561,1103 1.497,1104 1.814,1105 1.744,1106 1.089,1107 1.777,1108 1.42,1109 1.352,1110 1.697,1111 1.608,1112 0.972,1113 1.646,1114 1.26,1115 1.189,1116 1.558,1117 1.466,1118 0.813,1119 1.502,1120 1.088,1121 1.013,1122 1.417,1123 1.326,1124 0.646,1125 1.359,1126 4.043,1128 5.22,1130 6.558,1132 7.971,1134 9.428,1137 2.359,1138 5.548,1139 18.45,1140 16.656,1143 -1.295,1148 38.304,1149 89.031,1150 195.177,1151 257.311,1152 293.237,1153 319.035,1154 341.973,1155 99.619,1156 6.315,1157 66.48,1158 66.48,1159 6,1160 11.479,1161 3,1162 2.322,1163 88.13,1164 182,1165 142,1166 0.221,1167 254.255,1168 443.8,1169 612.143,1170 5300,1171 1.5,1172 20.452,1173 0.73,1174 0.697,1175 21.952,1176 19.526,1177 13.63,1178 0.487,1179 0.435,1180 11.104,1181 12.734,1182 10.808,1183 9.084,1184 14.496,1185 12.167,1186 10.662,1187 0.333,1188 0.283,1189 11.887,1190 9.065,1191 8.023,1192 0.236,1193 0.175,1194 8.889,1195 5.951,1196 5.149,1197 0.156,1198 0.111,1199 5.649,1200 3.679,1201 3.714,1202 0.106,1203 0.077,1204 4.421,1205 2.699,1206 0.386,1207 96.922,1208 0.234,1209 29.067,1210 0.517,1211 120,1212 251.26,1213 273.479,1214 288.632,1215 367.34,1216 268,1217 126,1218 214.731,1219 178.263,1220 236.504,1221 334.82,1222 223,1223 5.4} {0 CHEMBL561025,1 1.371,2 14.917,3 5.066,4 25.667,5 110.592,6 7.954,7 0.25,8 4.041,9 4.182,10 3.642,11 3.612,12 4.989,13 3.494,14 4.601,15 4.805,16 4.005,17 4.01,18 5.446,19 3.82,20 4.943,21 5.223,22 4.052,23 4.147,24 5.8,25 3.896,26 4.952,27 5.246,28 3.729,29 4.04,30 5.794,31 3.78,32 4.844,33 5.154,34 3.585,35 3.918,36 5.511,37 3.665,38 4.751,39 5.052,40 3.594,41 3.893,42 5.407,43 3.619,44 4.712,45 5.014,46 3.56,47 3.841,48 5.39,49 3.566,50 4.643,51 4.944,52 3.521,53 3.775,54 5.337,55 3.5,56 0.086,57 0.726,58 13.073,59 6.111,60 11.146,61 8.147,62 0.142,63 1.162,64 26.56,65 10.853,66 19.859,67 13.919,68 0.338,69 1.461,70 51.745,71 15.178,72 55.209,73 18.463,74 0.4,75 1.385,76 50.627,77 14.338,78 64.215,79 17.708,80 0.221,81 1.238,82 36.364,83 12.264,84 32.213,85 16.036,86 0.187,87 1.169,88 43.625,89 12.389,90 24.313,91 15.181,92 0.195,93 1.111,94 42.783,95 11.872,96 25.992,97 14.417,98 0.187,99 1.036,100 40.885,101 11.147,102 25.258,103 13.416,104 31,105 28,106 0.232,107 0.526,108 0.696,109 0.79,110 0.846,111 0.88,112 3.225,113 1.271,114 -5.23,115 -5.12,116 -4.79,117 35.7,119 9,123 1,124 2,127 2,130 4,131 1,132 1,146 1,147 1,148 1,151 15,156 1,158 18,164 2,165 2,166 2,167 17,168 1,173 1,174 3,176 13,177 1,183 3,185 12,186 1,191 3,193 11,194 1,199 3,200 10,201 1,205 3,206 9,207 1,213 3,214 8,215 1,216 956,217 16.148,218 16.148,219 16.148,220 16.148,221 16.148,222 15.165,223 11.369,224 10.317,225 16.445,226 11.778,227 11.778,228 11.778,229 11.778,230 11.778,231 10.341,232 6.763,233 4.902,234 12.399,235 4.436,236 2.701,237 1.695,238 1.142,239 0.813,240 0.607,241 3.876,244 1,245 1,246 709,247 4.359,251 102.571,256 2.431,257 17.949,259 1,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.86,267 49.9,268 358,269 4.011,270 3.059,271 5.861,272 3.655,273 2.698,274 3.614,275 0.765,276 7.859,277 2.574,278 3.761,279 2.884,280 5.412,281 3.58,282 2.619,283 2.824,285 7.154,286 2.527,287 3.426,288 2.532,289 4.889,290 3.001,291 2.122,292 2.708,294 5.696,295 1.927,296 3.052,297 2.089,298 4.055,299 2.905,300 1.918,301 2.061,303 3.894,304 1.748,305 2.858,306 1.875,307 3.895,308 2.705,309 1.718,310 1.855,312 3.606,313 1.591,314 2.567,315 1.732,316 3.661,317 2.451,318 1.476,319 1.556,321 3.146,322 1.409,323 2.5,324 1.416,325 3.414,326 2.174,327 1.207,328 1.5,330 2.505,331 1.147,332 2.227,333 1.006,334 3.346,335 2,336 1,337 1.223,339 2.275,340 1,341 1.971,342 1,343 2.996,344 1.82,345 0.848,346 0.906,347 1.727,348 0.807,349 1.604,350 0.83,351 2.65,352 1.409,353 0.442,354 0.488,355 0.888,356 0.405,357 1.244,358 0.613,359 2.324,360 1.051,361 0.157,362 0.16,363 0.235,364 0.128,365 1.111,366 0.325,367 2,368 0.902,373 0.883,374 0.047,375 2,376 0.612,377 -0.283,378 -0.318,379 -0.58,380 -0.148,381 0.5,382 -0.304,383 1.738,384 0.287,385 -0.637,386 -0.675,387 -1.339,388 -0.494,389 0.444,390 -0.678,391 1.562,393 -1,394 -1.033,395 -2.176,396 -0.803,397 12.71,398 0.53,399 0.37,400 0.015,401 19.75,402 0.823,403 7,404 0.292,405 12.75,406 0.531,407 27.7,408 1.154,409 28.09,410 0.502,411 9.718,412 0.405,413 3.064,414 0.128,415 8.566,416 0.357,417 0.213,419 0.157,420 1.085,421 1.126,422 0.528,423 0.733,424 1.123,425 1.048,426 0.879,427 1.258,428 0.577,429 0.821,430 0.867,431 1.164,432 0.702,433 0.987,434 0.786,435 0.868,436 0.682,437 0.985,438 1.023,439 0.921,440 0.636,441 0.761,442 1.007,443 0.953,444 0.764,445 0.866,446 0.271,447 0.511,448 0.748,449 0.839,450 0.667,451 0.965,452 0.733,453 0.842,454 0.67,455 0.971,456 0.794,457 0.939,458 0.761,459 0.844,460 0.796,461 0.953,462 0.842,463 0.937,464 0.81,465 0.87,466 0.85,467 0.953,468 3.5,469 0.07,470 2,471 0.625,472 0.502,473 0.257,474 0.183,475 0.137,476 0.107,477 0.086,478 7862,479 20212,480 1.906,481 57.1,482 18,483 10,486 4,490 1.654,491 1.8,492 3.855,493 1.695,496 1,497 76.773,498 1.371,499 3.106,500 4.112,501 4.665,502 4.995,503 5.2,504 3.272,505 3.752,506 4.56,507 4.049,508 1117.44,509 7.787,510 15870.5,511 1,513 325.212,514 1.252,515 4.522,516 0.146,517 0.005,518 0.071,519 0.023,520 0.024,521 0.014,522 0.01,523 0.008,524 0.007,525 0.006,526 0.313,527 0.17,528 0.88,529 3.296,530 122.815,531 -0.117,532 0.127,533 -0.005,534 0.048,535 -0.142,536 0.042,537 -0.066,538 -0.139,539 0.005,540 -0.031,541 -0.055,542 -0.129,543 0.134,544 0.002,545 -0.001,547 0.156,548 -0.017,549 0.051,550 0.005,551 -0.014,552 -0.005,553 0.06,554 -0.036,555 -0.014,556 0.032,557 0.039,558 0.062,559 -0.013,560 0.05,561 -0.007,562 -0.02,563 -0.013,564 -0.017,565 -0.021,566 -0.02,567 -0.026,568 -0.002,569 -0.013,570 -0.007,571 -0.04,572 -0.008,573 -0.031,574 0.002,575 -0.016,576 -0.006,577 -0.05,578 -0.004,579 2.067,580 3.565,581 0.25,582 28.167,583 0.981,584 1.13,585 4.002,586 16.017,587 0.656,588 3.219,589 3.367,590 3.434,591 3.401,592 3.466,593 3.296,594 3.178,595 3.135,596 3.091,597 3.045,598 8.82,599 0.575,600 445.43,601 3.219,602 4.654,603 5.398,604 6.163,605 6.923,606 7.691,607 8.457,608 9.228,609 9.997,610 10.77,611 1.8,612 1,623 4,628 2,630 6,637 1,638 56,639 7,640 1,641 24,642 56,643 20,644 6,645 2,646 4,648 1,649 1,652 1,657 11,659 8,660 12,662 1,665 2,670 32,671 3,672 4,673 4,674 1,675 1,677 1,681 1,682 2,683 1,684 1,693 1,702 2,704 1,708 2,710 1,714 1,715 24,716 1,717 2,718 10,721 2,730 1,731 3.6,732 2,737 13.333,738 9.043,739 5.778,740 3.661,741 1.283,742 1.212,743 0.88,744 12.443,745 7.33,746 3.367,747 3.701,748 4.012,749 4.296,750 4.68,751 4.401,752 4.179,753 4.164,754 4.148,755 4.132,756 0.9,757 27,758 8.933,759 3.498,760 7.63,761 17.692,762 13.955,763 2.13,764 51.12,767 1,768 329.591,769 141.295,770 32.897,772 85.367,773 56.782,774 84.513,775 414.958,776 32.897,778 55.708,779 142.224,781 4.845,783 386.373,785 329.591,786 117.411,787 85.367,789 56.782,790 329.591,792 85.367,793 55.708,794 42.75,795 18.952,796 56.782,797 329.591,798 118.264,799 84.513,800 56.782,801 329.591,802 27.656,803 113.639,805 118.264,806 329.591,807 118.264,808 84.513,809 56.782,810 0.542,811 0.294,812 0.128,813 0.065,814 7,815 4,816 0.232,817 13,819 1,820 3.91,821 148.175,823 6,824 106.039,826 21.614,827 13.817,828 10.947,830 118.264,831 8.834,836 2.752,838 118.264,839 589.15,840 28,843 3.673,846 54.963,847 63.281,848 0.236,849 0.535,850 0.708,851 0.803,852 0.86,853 0.895,854 4.516,855 1,856 5.283,857 2.505,858 4.043,859 4.382,860 0.775,861 5.861,862 3.947,863 5.592,864 0.848,865 6.708,866 2.275,867 3.219,868 3.689,870 6.326,871 2.879,872 6.787,873 0.442,874 8.234,875 1.727,876 5.416,877 6.229,878 0.521,879 9.309,880 5.248,881 8.016,882 0.157,883 9.822,884 0.888,885 5.442,886 6.384,888 10.653,889 5.055,890 9.278,892 11.452,893 0.235,894 7.031,895 8.388,896 0.336,897 13.087,898 6.786,899 10.563,900 -0.283,901 13.112,903 7.492,904 8.966,906 14.795,907 7.069,908 11.866,909 -0.637,910 14.793,911 -0.58,912 8.789,913 10.713,914 0.21,915 17.015,916 8.461,917 2.698,918 -1,919 16.49,920 -1.339,921 9.485,922 11.532,924 18.89,925 9.018,926 2.619,927 7.859,928 18.199,929 -2.176,930 10.633,931 13.129,932 0.128,933 21.017,934 10.219,935 2.122,936 7.154,937 19.917,938 3.614,939 11.458,940 14.101,942 22.974,943 10.935,944 1.918,945 5.696,946 21.642,947 2.824,948 12.527,949 15.601,950 0.077,951 25.057,952 12.026,953 1.718,954 3.894,955 23.372,956 2.708,957 13.424,958 16.673,960 27.056,961 12.834,962 1.476,963 3.606,964 25.107,965 2.061,966 14.451,967 18.107,968 0.046,969 29.12,970 13.862,971 1.207,972 3.146,973 26.845,974 1.855,975 15.386,976 19.247,978 31.142,979 14.724,980 8126,981 13133,982 15.485,983 36.756,984 32.776,985 33.277,986 33.693,987 32.785,988 32.407,989 37.793,990 1.529,991 77.971,992 30.527,993 4.96,994 5.059,995 5.798,996 4.655,997 4.698,998 6.614,999 1.529,1000 13.467,1001 4.574,1002 13.497,1003 1.366,1004 1.387,1005 1.404,1006 1.366,1007 1.35,1008 1.575,1009 0.064,1010 3.249,1011 1.272,1012 3.938,1013 3.974,1014 10.695,1015 4.032,1016 6.467,1017 3.886,1018 3.827,1019 3.875,1020 3.806,1021 3.726,1022 6.44,1023 3.704,1024 3.724,1025 3.78,1026 3.7,1027 3.62,1028 4.972,1029 3.585,1030 3.584,1031 3.65,1032 3.571,1033 3.501,1034 4.724,1035 3.429,1036 3.406,1037 3.475,1038 3.41,1039 3.362,1040 4.336,1041 3.249,1042 3.206,1043 3.277,1044 3.219,1045 3.19,1046 4.153,1047 3.044,1048 3.005,1049 3.075,1050 2.993,1051 2.968,1052 3.942,1053 2.825,1054 2.854,1055 2.951,1056 2.769,1057 2.735,1058 3.707,1059 2.715,1060 0.167,1061 0.127,1062 0.244,1063 0.152,1064 0.112,1065 4.011,1066 0.151,1067 3.059,1068 0.032,1069 5.861,1070 0.327,1071 3.655,1072 0.107,1073 2.698,1074 3.614,1075 0.765,1076 7.859,1077 2.574,1078 1.929,1079 1.902,1080 2.081,1081 2.008,1082 1.429,1083 2.038,1084 1.82,1085 1.768,1086 2.018,1087 1.96,1088 1.304,1089 1.984,1090 1.724,1091 1.673,1092 1.924,1093 1.891,1094 1.164,1095 1.907,1096 1.589,1097 1.528,1098 1.828,1099 1.773,1100 1.091,1101 1.802,1102 1.417,1103 1.351,1104 1.686,1105 1.605,1106 0.946,1107 1.64,1108 1.215,1109 1.147,1110 1.511,1111 1.429,1112 0.738,1113 1.461,1114 0.999,1115 0.928,1116 1.334,1117 1.262,1118 0.546,1119 1.286,1120 0.886,1121 0.821,1122 1.181,1123 1.176,1124 0.383,1125 1.183,1126 3.892,1128 5.081,1130 6.438,1132 7.87,1134 9.343,1137 2.344,1138 5.529,1139 18.388,1140 10.902,1143 -1.302,1148 32.197,1149 76.773,1150 173.943,1151 230.299,1152 261.238,1153 279.702,1154 291.212,1155 74.723,1156 6.047,1157 66.48,1158 66.48,1159 6,1160 11.39,1161 3,1162 2.322,1163 68.148,1164 130,1165 100,1166 0.244,1167 215.886,1168 374.6,1169 518.522,1170 3434,1171 1.8,1172 17.623,1173 0.734,1174 0.696,1175 19.123,1176 16.697,1177 11.63,1178 0.485,1179 0.424,1180 9.104,1181 10.734,1182 8.847,1183 7.417,1184 12.496,1185 10.167,1186 9.248,1187 0.33,1188 0.273,1189 10.473,1190 7.651,1191 7.023,1192 0.234,1193 0.165,1194 7.889,1195 4.951,1196 4.441,1197 0.153,1198 0.102,1199 4.941,1200 2.972,1201 3.214,1202 0.104,1203 0.071,1204 3.921,1205 2.199,1206 0.419,1207 84.922,1208 0.254,1209 25.222,1210 0.581,1211 104,1212 235.26,1213 257.479,1214 271.986,1215 344.3,1216 252,1217 110,1218 198.731,1219 162.263,1220 219.858,1221 311.78,1222 207,1223 5.556} {0 CHEMBL561296,1 1.354,2 15.68,3 5.523,4 30.498,5 115.193,6 7.787,7 0.24,8 4.09,9 4.233,10 3.672,11 3.659,12 5.024,13 3.539,14 4.656,15 4.863,16 4.029,17 4.057,18 5.485,19 3.866,20 5.001,21 5.284,22 4.076,23 4.194,24 5.837,25 3.942,26 5.009,27 5.305,28 3.761,29 4.093,30 5.83,31 3.832,32 4.907,33 5.22,34 3.622,35 3.978,36 5.559,37 3.723,38 4.82,39 5.124,40 3.631,41 3.954,42 5.46,43 3.68,44 4.784,45 5.089,46 3.598,47 3.905,48 5.444,49 3.63,50 4.72,51 5.024,52 3.56,53 3.844,54 5.394,55 3.568,56 0.089,57 0.764,58 14.054,59 6.464,60 11.186,61 8.653,62 0.149,63 1.226,64 28.351,65 11.45,66 20.031,67 14.761,68 0.347,69 1.539,70 53.7,71 15.906,72 55.835,73 19.506,74 0.406,75 1.462,76 52.288,77 15.032,78 64.374,79 18.728,80 0.227,81 1.316,82 38.207,83 12.977,84 32.434,85 17.053,86 0.194,87 1.247,88 45.336,89 13.106,90 24.766,91 16.209,92 0.202,93 1.19,94 44.486,95 12.587,96 26.374,97 15.447,98 0.194,99 1.114,100 42.614,101 11.867,102 25.656,103 14.45,104 32,105 29,106 0.226,107 0.509,108 0.674,109 0.766,110 0.825,111 0.865,112 3.264,113 1.28,114 -5.45,115 -5.33,116 -4.97,117 35.6,119 10,123 1,124 2,127 2,130 4,131 1,132 1,146 1,147 1,148 1,151 16,156 1,158 19,164 2,165 2,166 2,167 18,168 1,173 1,174 3,176 14,177 1,183 3,185 13,186 1,191 3,193 12,194 1,199 3,200 11,201 1,205 3,206 10,207 1,213 3,214 9,215 1,216 1098,217 16.855,218 16.855,219 16.855,220 16.855,221 16.855,222 15.872,223 11.369,224 10.817,225 17.152,226 12.278,227 12.278,228 12.278,229 12.278,230 12.278,231 10.841,232 6.763,233 5.152,234 12.899,235 4.529,236 2.84,237 1.856,238 1.305,239 0.949,240 0.712,241 3.916,244 1,245 1,246 777,247 4.472,251 108.059,256 2.598,257 18.056,259 0.75,260 0.67,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.8,267 51.9,268 392,269 4.011,270 3.059,271 5.861,272 3.655,273 2.698,274 3.614,275 0.765,276 7.859,277 2.574,278 3.761,279 2.884,280 5.412,281 3.58,282 2.619,283 2.824,285 7.154,286 2.527,287 3.426,288 2.532,289 4.889,290 3.002,291 2.122,292 2.708,294 5.696,295 1.938,296 3.053,297 2.089,298 4.056,299 2.919,300 1.93,301 2.062,303 3.908,304 1.778,305 2.883,306 1.892,307 3.911,308 2.743,309 1.754,310 1.881,312 3.654,313 1.617,314 2.632,315 1.761,316 3.708,317 2.51,318 1.53,319 1.623,321 3.252,322 1.463,323 2.5,324 1.504,325 3.429,326 2.258,327 1.289,328 1.5,330 2.691,331 1.229,332 2.314,333 1.131,334 3.414,335 2,336 1,337 1.309,339 2.275,340 1,341 2.053,342 1,343 3.107,344 1.951,345 0.978,346 1.02,347 1.998,348 0.934,349 1.757,350 0.853,351 2.777,352 1.578,353 0.605,354 0.66,355 1.225,356 0.571,357 1.384,358 0.728,359 2.461,360 1.196,361 0.25,362 0.268,363 0.466,364 0.213,365 1.139,366 0.446,367 2.154,368 0.976,369 0.099,370 0.102,371 0.149,372 0.077,373 1.046,374 0.183,375 2,376 0.775,377 -0.131,378 -0.148,379 -0.267,380 -0.057,381 0.693,382 -0.114,383 1.86,384 0.483,385 -0.427,386 -0.466,387 -0.88,388 -0.297,389 0.5,390 -0.463,391 1.658,392 0.157,393 -0.777,394 -0.809,395 -1.649,396 -0.626,397 13.21,398 0.528,399 0.37,400 0.015,401 20.25,402 0.81,403 7,404 0.28,405 13.25,406 0.53,407 29.536,408 1.181,409 29.39,410 0.498,411 9.804,412 0.392,413 3.064,414 0.123,415 9.066,416 0.363,417 0.205,419 0.151,420 1.085,421 1.142,422 0.532,423 0.751,424 1.12,425 1.066,426 0.877,427 1.269,428 0.579,429 0.835,430 0.861,431 1.178,432 0.697,433 0.987,434 0.781,435 0.867,436 0.675,437 0.983,438 1.013,439 0.924,440 0.633,441 0.764,442 0.996,443 0.953,444 0.756,445 0.872,446 0.272,447 0.521,448 0.736,449 0.845,450 0.657,451 0.964,452 0.722,453 0.838,454 0.656,455 0.969,456 0.778,457 0.94,458 0.747,459 0.838,460 0.777,461 0.952,462 0.821,463 0.937,464 0.79,465 0.861,466 0.826,467 0.951,468 3.5,469 0.07,470 2,471 0.625,472 0.502,473 0.257,474 0.183,475 0.137,476 0.107,477 0.086,478 8991,479 22473,480 1.91,481 57.6,482 20,483 10,486 4,490 1.665,491 1.807,492 3.924,493 1.657,496 1,497 79.864,498 1.354,499 3.043,500 4.027,501 4.577,502 4.933,503 5.171,504 3.383,505 3.844,506 4.618,507 4.124,508 1237.27,509 7.904,510 18368.8,513 347.076,514 1.224,515 4.583,516 0.14,517 0.005,518 0.069,519 0.022,520 0.023,521 0.013,522 0.01,523 0.008,524 0.006,525 0.005,526 0.301,527 0.17,528 0.75,529 3.395,530 130.192,531 -0.113,532 0.121,533 -0.005,534 0.046,535 -0.135,536 0.04,537 -0.065,538 -0.145,539 0.004,540 -0.036,541 -0.051,542 -0.134,543 0.135,544 0.002,545 0.001,546 0.001,547 0.158,548 -0.014,549 0.054,550 0.005,551 -0.013,552 -0.005,553 0.064,554 -0.034,555 -0.012,556 0.03,557 0.038,558 0.059,559 -0.01,560 0.047,561 -0.005,562 -0.018,563 -0.011,564 -0.015,565 -0.017,566 -0.018,567 -0.023,568 -0.002,569 -0.012,570 -0.006,571 -0.035,572 -0.006,573 -0.027,574 0.002,575 -0.014,576 -0.004,577 -0.043,578 -0.003,579 2.065,580 3.574,581 0.24,582 31.117,583 0.98,584 1.13,585 4.217,586 17.783,587 0.653,588 3.258,589 3.401,590 3.466,591 3.434,592 3.497,593 3.332,594 3.219,595 3.178,596 3.135,597 3.091,598 9.267,599 0.572,600 459.46,601 3.258,602 4.691,603 5.434,604 6.196,605 6.954,606 7.72,607 8.484,608 9.253,609 10.02,610 10.791,611 1.7,612 1,623 4,628 2,630 6,637 1,638 59,639 7,640 1,641 25,642 59,643 21,644 6,645 2,646 4,648 1,649 1,652 1,657 12,659 8,660 13,662 1,665 2,670 34,671 3,672 4,673 4,674 1,675 1,677 1,681 1,682 2,683 1,684 1,693 1,702 2,704 1,708 2,710 1,714 1,715 25,716 1,717 2,718 11,721 2,730 1,731 3.4,732 2,737 13.833,738 9.543,739 6.028,740 3.911,741 1.258,742 1.206,743 0.881,744 13.306,745 7.377,746 3.401,747 3.726,748 4.03,749 4.309,750 4.69,751 4.413,752 4.194,753 4.179,754 4.164,755 4.148,756 1,757 28,758 9.312,759 3.641,760 7.605,761 18.509,762 14.622,763 2.105,764 52.62,768 353.133,769 143.83,770 32.897,772 85.367,773 56.782,774 87.048,775 438.5,776 32.897,778 58.243,779 142.224,781 4.845,783 409.915,785 353.133,786 119.945,787 85.367,789 56.782,790 353.133,792 85.367,793 58.243,794 42.75,795 18.952,796 56.782,797 353.133,798 118.264,799 87.048,800 56.782,801 353.133,802 30.191,803 113.639,805 118.264,806 353.133,807 118.264,808 87.048,809 56.782,810 0.54,811 0.293,812 0.128,813 0.064,814 7,815 4,816 0.237,817 14,819 1,820 4.034,821 155.792,823 6,824 110.096,826 22.612,827 14.711,828 11.736,830 118.264,831 8.86,836 2.764,838 118.264,839 615.227,840 29,843 3.68,846 57.847,847 66.696,848 0.23,849 0.517,850 0.684,851 0.778,852 0.839,853 0.879,854 4.549,855 1,856 5.313,857 2.691,858 4.078,859 4.407,860 0.775,861 5.883,862 3.985,863 5.618,864 0.978,865 6.732,866 2.275,867 3.219,868 3.689,870 6.326,871 2.879,872 6.808,873 0.605,874 8.252,875 1.998,876 5.442,877 6.241,878 0.521,879 9.318,880 5.279,881 8.032,882 0.25,883 9.835,884 1.225,885 5.442,886 6.384,888 10.653,889 5.055,890 9.291,891 0.099,892 11.462,893 0.466,894 7.048,895 8.393,896 0.336,897 13.09,898 6.808,899 10.574,900 -0.131,901 13.119,902 0.149,903 7.492,904 8.966,906 14.795,907 7.069,908 11.874,909 -0.427,910 14.798,911 -0.267,912 8.8,913 10.714,914 0.21,915 17.016,916 8.476,917 2.698,918 -0.777,919 16.494,920 -0.88,921 9.485,922 11.532,924 18.89,925 9.018,926 2.619,927 7.859,928 18.202,929 -1.649,930 10.639,931 13.13,932 0.128,933 21.017,934 10.228,935 2.122,936 7.154,937 19.919,938 3.614,939 11.458,940 14.101,942 22.974,943 10.935,944 1.93,945 5.696,946 21.643,947 2.824,948 12.531,949 15.601,950 0.077,951 25.057,952 12.032,953 1.754,954 3.908,955 23.373,956 2.708,957 13.424,958 16.673,960 27.056,961 12.834,962 1.53,963 3.654,964 25.107,965 2.062,966 14.453,967 18.108,968 0.046,969 29.12,970 13.866,971 1.289,972 3.252,973 26.845,974 1.881,975 15.386,976 19.247,978 31.142,979 14.724,980 9267,981 14768,982 16.178,983 38.518,984 34.029,985 34.527,986 35.012,987 34.081,988 33.748,989 39.142,990 1.529,991 80.653,992 31.842,993 4.966,994 5.059,995 5.807,996 4.655,997 4.698,998 6.614,999 1.529,1000 13.467,1001 4.574,1002 13.946,1003 1.361,1004 1.381,1005 1.4,1006 1.363,1007 1.35,1008 1.566,1009 0.061,1010 3.226,1011 1.274,1012 3.939,1013 3.975,1014 10.695,1015 4.032,1016 6.467,1017 3.887,1018 3.831,1019 3.88,1020 3.807,1021 3.73,1022 6.44,1023 3.708,1024 3.737,1025 3.792,1026 3.703,1027 3.631,1028 4.972,1029 3.599,1030 3.612,1031 3.677,1032 3.585,1033 3.522,1034 4.724,1035 3.459,1036 3.449,1037 3.519,1038 3.439,1039 3.393,1040 4.337,1041 3.292,1042 3.265,1043 3.336,1044 3.265,1045 3.238,1046 4.17,1047 3.105,1048 3.072,1049 3.144,1050 3.06,1051 3.042,1052 3.984,1053 2.899,1054 2.899,1055 2.981,1056 2.841,1057 2.806,1058 3.767,1059 2.715,1060 0.16,1061 0.122,1062 0.234,1063 0.146,1064 0.108,1065 4.011,1066 0.145,1067 3.059,1068 0.031,1069 5.861,1070 0.314,1071 3.655,1072 0.103,1073 2.698,1074 3.614,1075 0.765,1076 7.859,1077 2.574,1078 1.929,1079 1.902,1080 2.083,1081 2.009,1082 1.435,1083 2.039,1084 1.825,1085 1.772,1086 2.026,1087 1.964,1088 1.326,1089 1.991,1090 1.738,1091 1.688,1092 1.94,1093 1.902,1094 1.188,1095 1.918,1096 1.617,1097 1.557,1098 1.85,1099 1.798,1100 1.109,1101 1.826,1102 1.461,1103 1.396,1104 1.727,1105 1.648,1106 0.996,1107 1.683,1108 1.278,1109 1.209,1110 1.567,1111 1.481,1112 0.811,1113 1.515,1114 1.076,1115 1.004,1116 1.4,1117 1.318,1118 0.615,1119 1.348,1120 0.886,1121 0.821,1122 1.238,1123 1.2,1124 0.46,1125 1.208,1126 3.932,1128 5.118,1130 6.469,1132 7.896,1134 9.365,1137 2.348,1138 5.534,1139 18.405,1140 12.328,1143 -1.3,1148 33.723,1149 79.864,1150 179.527,1151 237.566,1152 270.056,1153 291.076,1154 305.076,1155 80.628,1156 6.118,1157 66.48,1158 66.48,1159 6,1160 11.413,1161 3,1162 2.322,1163 72.936,1164 142,1165 110,1166 0.237,1167 225.478,1168 391.9,1169 541.927,1170 3853,1171 1.7,1172 18.33,1173 0.733,1174 0.696,1175 19.83,1176 17.404,1177 12.13,1178 0.485,1179 0.427,1180 9.604,1181 11.234,1182 9.337,1183 7.834,1184 12.996,1185 10.667,1186 9.602,1187 0.331,1188 0.276,1189 10.826,1190 8.004,1191 7.273,1192 0.235,1193 0.168,1194 8.139,1195 5.201,1196 4.618,1197 0.154,1198 0.105,1199 5.118,1200 3.149,1201 3.339,1202 0.104,1203 0.073,1204 4.046,1205 2.324,1206 0.41,1207 87.922,1208 0.249,1209 26.203,1210 0.562,1211 108,1212 239.26,1213 261.479,1214 276.147,1215 350.06,1216 256,1217 114,1218 202.731,1219 166.263,1220 224.019,1221 317.54,1222 211,1223 5.66} {0 CHEMBL561434,1 1.338,2 16.462,3 5.979,4 35.745,5 119.794,6 7.637,7 0.231,8 4.138,9 4.281,10 3.702,11 3.703,12 5.058,13 3.583,14 4.708,15 4.918,16 4.052,17 4.102,18 5.523,19 3.909,20 5.055,21 5.342,22 4.098,23 4.24,24 5.872,25 3.986,26 5.063,27 5.362,28 3.792,29 4.143,30 5.866,31 3.881,32 4.967,33 5.281,34 3.658,35 4.034,36 5.606,37 3.778,38 4.885,39 5.191,40 3.667,41 4.012,42 5.511,43 3.737,44 4.851,45 5.158,46 3.635,47 3.966,48 5.496,49 3.69,50 4.791,51 5.098,52 3.598,53 3.908,54 5.449,55 3.632,56 0.092,57 0.803,58 15.016,59 6.816,60 11.246,61 9.158,62 0.155,63 1.289,64 30.092,65 12.044,66 20.23,67 15.599,68 0.355,69 1.617,70 55.605,71 16.629,72 56.439,73 20.541,74 0.412,75 1.539,76 53.925,77 15.725,78 64.553,79 19.743,80 0.234,81 1.394,82 40.014,83 13.687,84 32.675,85 18.064,86 0.201,87 1.325,88 47.021,89 13.818,90 25.214,91 17.231,92 0.209,93 1.268,94 46.165,95 13.299,96 26.757,97 16.47,98 0.201,99 1.193,100 44.315,101 12.582,102 26.053,103 15.478,104 33,105 30,106 0.221,107 0.493,108 0.652,109 0.742,110 0.804,111 0.853,112 3.301,113 1.288,114 -5.66,115 -5.53,116 -5.15,117 35.5,119 11,123 1,124 2,127 2,130 4,131 1,132 1,146 1,147 1,148 1,151 17,156 1,158 20,164 2,165 2,166 2,167 19,168 1,173 1,174 3,176 15,177 1,183 3,185 14,186 1,191 3,193 13,194 1,199 3,200 12,201 1,205 3,206 11,207 1,213 3,214 10,215 1,216 1240,217 17.562,218 17.562,219 17.562,220 17.562,221 17.562,222 16.579,223 11.369,224 11.317,225 17.859,226 12.778,227 12.778,228 12.778,229 12.778,230 12.778,231 11.341,232 6.763,233 5.402,234 13.399,235 4.617,236 2.972,237 2.011,238 1.466,239 1.096,240 0.799,241 3.955,245 1,246 849,247 4.583,251 113.567,256 2.734,257 18.149,259 0.75,260 0.67,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.8,267 53.9,268 428,269 4.011,270 3.059,271 5.861,272 3.655,273 2.698,274 3.614,275 0.765,276 7.859,277 2.574,278 3.761,279 2.884,280 5.412,281 3.58,282 2.619,283 2.824,285 7.154,286 2.527,287 3.426,288 2.532,289 4.889,290 3.002,291 2.122,292 2.708,294 5.696,295 1.946,296 3.053,297 2.09,298 4.056,299 2.929,300 1.94,301 2.062,303 3.919,304 1.804,305 2.902,306 1.907,307 3.924,308 2.775,309 1.785,310 1.9,312 3.694,313 1.643,314 2.685,315 1.782,316 3.747,317 2.562,318 1.578,319 1.677,321 3.339,322 1.507,323 2.5,324 1.573,325 3.498,326 2.328,327 1.357,328 1.5,330 2.844,331 1.298,332 2.396,333 1.242,334 3.414,335 2.058,336 1.086,337 1.388,339 2.275,340 1.039,341 2.124,342 1,343 3.204,344 2,345 1,346 1.111,347 2.225,348 1,349 1.881,350 0.906,351 2.893,352 1.726,353 0.75,354 0.805,355 1.521,356 0.716,357 1.534,358 0.807,359 2.587,360 1.361,361 0.393,362 0.428,363 0.784,364 0.36,365 1.224,366 0.56,367 2.294,368 1.048,369 0.151,370 0.154,371 0.226,372 0.124,373 1.109,374 0.299,375 2,376 0.908,381 0.896,382 0.043,383 2,384 0.647,385 -0.258,386 -0.287,387 -0.527,388 -0.136,389 0.515,390 -0.271,391 1.754,392 0.359,393 -0.567,394 -0.604,395 -1.18,396 -0.444,397 13.71,398 0.527,399 0.37,400 0.014,401 20.75,402 0.798,403 7,404 0.269,405 13.75,406 0.529,407 31.394,408 1.207,409 30.69,410 0.495,411 9.885,412 0.38,413 3.064,414 0.118,415 9.566,416 0.368,417 0.198,419 0.146,420 1.085,421 1.157,422 0.537,423 0.767,424 1.117,425 1.083,426 0.876,427 1.278,428 0.581,429 0.849,430 0.856,431 1.19,432 0.694,433 0.986,434 0.776,435 0.866,436 0.669,437 0.982,438 1.005,439 0.927,440 0.63,441 0.767,442 0.986,443 0.953,444 0.748,445 0.877,446 0.273,447 0.531,448 0.727,449 0.851,450 0.649,451 0.964,452 0.712,453 0.834,454 0.645,455 0.967,456 0.765,457 0.941,458 0.735,459 0.834,460 0.76,461 0.951,462 0.804,463 0.938,464 0.774,465 0.854,466 0.805,467 0.95,468 3.5,469 0.07,470 2,471 0.625,472 0.502,473 0.257,474 0.183,475 0.137,476 0.107,477 0.086,478 10220,479 24882,480 1.913,481 58.1,482 22,483 10,486 4,490 1.676,491 1.814,492 3.991,493 1.621,496 1,497 82.935,498 1.338,499 2.982,500 3.943,501 4.488,502 4.858,503 5.156,504 3.412,505 3.854,506 4.675,507 4.196,508 1363.63,509 8.016,510 21122.8,513 369.16,514 1.198,515 4.642,516 0.135,517 0.004,518 0.067,519 0.022,520 0.022,521 0.012,522 0.009,523 0.007,524 0.006,525 0.005,526 0.289,527 0.17,528 0.63,529 3.489,530 137.641,531 -0.109,532 0.115,533 -0.005,534 0.045,535 -0.129,536 0.038,537 -0.064,538 -0.149,539 0.003,540 -0.042,541 -0.047,542 -0.139,543 0.136,544 0.003,545 0.002,546 0.002,547 0.16,548 -0.012,549 0.056,550 0.005,551 -0.012,552 -0.005,553 0.068,554 -0.032,555 -0.01,556 0.028,557 0.037,558 0.056,559 -0.008,560 0.044,561 -0.003,562 -0.017,563 -0.01,564 -0.014,565 -0.014,566 -0.016,567 -0.02,568 -0.002,569 -0.01,570 -0.005,571 -0.031,572 -0.005,573 -0.023,574 0.002,575 -0.012,576 -0.004,577 -0.037,578 -0.002,579 2.064,580 3.583,581 0.231,582 34.13,583 0.98,584 1.131,585 4.428,586 19.608,587 0.65,588 3.296,589 3.434,590 3.497,591 3.466,592 3.526,593 3.367,594 3.258,595 3.219,596 3.178,597 3.135,598 9.712,599 0.569,600 473.49,601 3.296,602 4.727,603 5.468,604 6.229,605 6.984,606 7.748,607 8.51,608 9.277,609 10.043,610 10.812,611 1.6,612 1,623 4,628 2,630 6,637 1,638 62,639 7,640 1,641 26,642 62,643 22,644 6,645 2,646 4,648 1,649 1,652 1,657 13,659 8,660 14,662 1,665 2,670 36,671 3,672 4,673 4,674 1,675 1,677 1,681 1,682 2,683 1,684 1,693 1,702 2,704 1,708 2,710 1,714 1,715 26,716 1,717 2,718 12,721 2,730 1,731 3.2,732 2,737 14.333,738 10.043,739 6.278,740 4.161,741 1.235,742 1.2,743 0.882,744 14.177,745 7.421,746 3.434,747 3.75,748 4.047,749 4.322,750 4.699,751 4.425,752 4.209,753 4.194,754 4.179,755 4.164,756 0.909,757 29,758 9.69,759 3.785,760 7.582,761 19.325,762 15.289,763 2.082,764 54.12,768 376.675,769 146.365,770 32.897,772 85.367,773 56.782,774 89.583,775 462.042,776 32.897,778 60.777,779 142.224,781 4.845,783 433.457,785 376.675,786 122.48,787 85.367,789 56.782,790 376.675,792 85.367,793 60.777,794 42.75,795 18.952,796 56.782,797 376.675,798 118.264,799 89.583,800 56.782,801 376.675,802 32.725,803 113.639,805 118.264,806 376.675,807 118.264,808 89.583,809 56.782,810 0.538,811 0.291,812 0.128,813 0.064,814 7,815 4,816 0.242,817 15,819 1,820 4.157,821 163.483,823 6,824 118.211,826 23.611,827 15.612,828 12.582,830 118.264,831 8.882,836 2.774,838 118.264,839 641.304,840 30,843 3.685,846 60.73,847 70.111,848 0.225,849 0.501,850 0.662,851 0.754,852 0.816,853 0.866,854 4.58,855 1.086,856 5.342,857 2.844,858 4.111,859 4.431,860 0.775,861 5.905,862 4.022,863 5.643,864 1,865 6.756,866 2.275,867 3.219,868 3.689,870 6.326,871 2.879,872 6.829,873 0.75,874 8.27,875 2.225,876 5.468,877 6.252,878 0.521,879 9.326,880 5.309,881 8.049,882 0.393,883 9.849,884 1.521,885 5.442,886 6.384,888 10.653,889 5.055,890 9.304,891 0.151,892 11.471,893 0.784,894 7.066,895 8.397,896 0.336,897 13.092,898 6.83,899 10.584,901 13.126,902 0.226,903 7.492,904 8.966,906 14.795,907 7.069,908 11.881,909 -0.258,910 14.803,912 8.81,913 10.716,914 0.21,915 17.017,916 8.49,917 2.698,918 -0.567,919 16.497,920 -0.527,921 9.485,922 11.532,924 18.89,925 9.018,926 2.619,927 7.859,928 18.204,929 -1.18,930 10.645,931 13.13,932 0.128,933 21.017,934 10.237,935 2.122,936 7.154,937 19.92,938 3.614,939 11.458,940 14.101,942 22.974,943 10.935,944 1.94,945 5.696,946 21.644,947 2.824,948 12.534,949 15.601,950 0.077,951 25.057,952 12.037,953 1.785,954 3.919,955 23.373,956 2.708,957 13.424,958 16.673,960 27.056,961 12.834,962 1.578,963 3.694,964 25.108,965 2.062,966 14.455,967 18.108,968 0.046,969 29.12,970 13.869,971 1.357,972 3.339,973 26.846,974 1.9,975 15.386,976 19.247,978 31.142,979 14.724,980 10508,981 16527,982 16.871,983 40.279,984 35.3,985 35.833,986 36.203,987 35.342,988 34.958,989 40.344,990 1.529,991 83.072,992 33.076,993 4.972,994 5.059,995 5.814,996 4.655,997 4.698,998 6.614,999 1.529,1000 13.467,1001 4.574,1002 14.387,1003 1.358,1004 1.378,1005 1.392,1006 1.359,1007 1.345,1008 1.552,1009 0.059,1010 3.195,1011 1.272,1012 3.94,1013 3.976,1014 10.695,1015 4.033,1016 6.467,1017 3.887,1018 3.835,1019 3.885,1020 3.807,1021 3.734,1022 6.44,1023 3.711,1024 3.747,1025 3.802,1026 3.705,1027 3.64,1028 4.972,1029 3.611,1030 3.636,1031 3.7,1032 3.597,1033 3.54,1034 4.724,1035 3.485,1036 3.487,1037 3.557,1038 3.465,1039 3.419,1040 4.338,1041 3.33,1042 3.317,1043 3.389,1044 3.305,1045 3.279,1046 4.185,1047 3.158,1048 3.135,1049 3.208,1050 3.119,1051 3.104,1052 4.018,1053 2.966,1054 2.959,1055 3.033,1056 2.91,1057 2.89,1058 3.82,1059 2.766,1060 0.154,1061 0.118,1062 0.225,1063 0.141,1064 0.104,1065 4.011,1066 0.139,1067 3.059,1068 0.029,1069 5.861,1070 0.302,1071 3.655,1072 0.099,1073 2.698,1074 3.614,1075 0.765,1076 7.859,1077 2.574,1078 1.929,1079 1.902,1080 2.085,1081 2.009,1082 1.441,1083 2.04,1084 1.829,1085 1.776,1086 2.034,1087 1.969,1088 1.344,1089 1.996,1090 1.751,1091 1.7,1092 1.954,1093 1.91,1094 1.214,1095 1.928,1096 1.641,1097 1.582,1098 1.868,1099 1.82,1100 1.123,1101 1.846,1102 1.499,1103 1.434,1104 1.762,1105 1.684,1106 1.035,1107 1.719,1108 1.332,1109 1.264,1110 1.616,1111 1.528,1112 0.874,1113 1.564,1114 1.145,1115 1.073,1116 1.459,1117 1.372,1118 0.685,1119 1.404,1120 0.953,1121 0.878,1122 1.303,1123 1.231,1124 0.524,1125 1.252,1126 3.97,1128 5.153,1130 6.5,1132 7.922,1134 9.386,1137 2.352,1138 5.539,1139 18.421,1140 13.763,1143 -1.298,1148 35.25,1149 82.935,1150 184.91,1151 244.45,1152 278.248,1153 301.186,1154 319.65,1155 86.745,1156 6.186,1157 66.48,1158 66.48,1159 6,1160 11.435,1161 3,1162 2.322,1163 77.862,1164 155,1165 120,1166 0.231,1167 235.071,1168 409.2,1169 565.332,1170 4303,1171 1.6,1172 19.037,1173 0.732,1174 0.697,1175 20.537,1176 18.111,1177 12.63,1178 0.486,1179 0.429,1180 10.104,1181 11.734,1182 9.828,1183 8.25,1184 13.496,1185 11.167,1186 9.955,1187 0.332,1188 0.279,1189 11.18,1190 8.358,1191 7.523,1192 0.235,1193 0.17,1194 8.389,1195 5.451,1196 4.795,1197 0.155,1198 0.107,1199 5.295,1200 3.326,1201 3.464,1202 0.105,1203 0.074,1204 4.171,1205 2.449,1206 0.401,1207 90.922,1208 0.243,1209 27.17,1210 0.545,1211 112,1212 243.26,1213 265.479,1214 280.309,1215 355.82,1216 260,1217 118,1218 206.731,1219 170.263,1220 228.181,1221 323.3,1222 215,1223 5.648} {0 CHEMBL568698,1 1.316,2 14.125,3 4.47,4 19.978,5 99.971,6 5.768,7 0.25,8 4.076,9 4.229,10 3.371,11 3.558,12 5.02,13 3.478,14 4.648,15 4.869,16 3.598,17 3.93,18 5.495,19 3.788,20 4.975,21 5.265,22 3.64,23 4.048,24 5.813,25 3.868,26 4.971,27 5.268,28 3.547,29 4,30 5.79,31 3.815,32 4.9,33 5.194,34 3.527,35 3.939,36 5.739,37 3.761,38 4.819,39 5.102,40 3.472,41 3.876,42 5.733,43 3.704,44 4.772,45 5.066,46 3.351,47 3.81,48 5.689,49 3.616,50 4.63,51 4.923,52 3.21,53 3.711,54 5.389,55 3.516,56 0.084,57 0.772,58 14.418,59 5.81,60 9.811,61 8.371,62 0.197,63 1.185,64 24.311,65 9.424,66 21.125,67 13.825,68 0.349,69 1.413,70 32.266,71 11.348,72 49.321,73 17.112,74 0.317,75 1.359,76 32.003,77 10.785,78 45.734,79 16.474,80 0.279,81 1.265,82 29.75,83 10.21,84 44.383,85 15.469,86 0.325,87 1.197,88 27.925,89 9.28,90 50.826,91 14.21,92 0.407,93 1.11,94 26.296,95 9.015,96 61.713,97 13.654,98 0.192,99 0.982,100 22.462,101 8.269,102 27.175,103 12.299,104 45,105 28,106 0.221,107 0.487,108 0.667,109 0.804,110 0.866,111 0.877,112 3.226,113 1.179,114 -5.3,115 -5.19,116 -4.85,117 34.5,118 1,119 10,123 1,124 1,130 4,131 1,132 1,142 1,146 1,147 1,148 1,151 14,154 1,156 4,158 14,159 1,161 1,162 1,163 1,164 1,165 5,166 1,167 12,168 1,170 3,174 4,176 9,177 1,179 3,183 4,185 10,186 2,188 1,190 1,191 3,192 1,193 11,194 2,196 1,197 1,198 1,199 2,200 11,201 1,203 1,205 2,206 9,207 1,209 1,213 4,214 7,215 1,216 980,217 16.311,218 16.311,219 16.311,220 16.311,221 16.311,222 15.457,223 13.692,224 10.64,225 16.398,226 11.798,227 11.798,228 11.798,229 11.798,230 11.798,231 10.457,232 13.554,233 5.047,234 11.939,235 4.542,236 2.957,237 1.887,238 1.069,239 0.703,240 0.634,241 3.876,244 1,245 1,246 660,247 4.359,251 96.932,256 2.469,257 20.727,259 1,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.86,267 51,268 339,269 4.089,270 3.718,271 5.925,272 3.783,273 2.796,274 3.653,275 1.953,276 8.232,277 2.754,278 3.857,279 2.787,280 5.459,281 3.569,282 2.57,283 3.087,284 0.263,285 7.223,286 2.565,287 3.427,288 2.378,289 5.108,290 3.143,291 2.163,292 2.672,294 6.258,295 2.119,296 2.851,297 2.101,298 4.002,299 2.834,300 1.835,301 1.853,303 3.667,304 1.833,305 2.773,306 1.838,307 3.838,308 2.672,309 1.681,310 1.763,312 3.558,313 1.661,314 2.5,315 1.771,316 3.469,317 2.419,318 1.421,319 1.5,321 2.754,322 1.417,323 2.451,324 1.424,325 3.414,326 2.179,327 1.194,328 1.45,330 2.531,331 1.163,332 2.362,333 1,334 3.403,335 2,336 1,337 1.311,339 2.275,340 1,341 1.894,342 0.992,343 2.927,344 1.842,345 0.843,346 0.871,347 1.55,348 0.841,349 1.597,350 0.911,351 2.717,352 1.499,353 0.563,354 0.575,355 0.946,356 0.521,357 1.411,358 0.585,359 2.328,360 1.242,361 0.242,362 0.262,363 0.445,364 0.242,365 1.078,366 0.207,367 2.151,368 0.879,369 -0.12,370 -0.138,371 -0.238,372 -0.119,373 0.661,374 -0.096,375 2,376 0.516,377 -0.41,378 -0.414,379 -0.661,380 -0.377,381 0.598,382 -0.244,383 1.696,384 0.448,385 -0.559,386 -0.613,387 -1.094,388 -0.56,389 0.5,390 -0.586,391 1.552,392 0.116,393 -0.896,394 -1.051,395 -1.933,396 -0.902,397 11.467,398 0.478,399 0.332,400 0.014,401 21.25,402 0.885,403 8,404 0.333,405 13.25,406 0.552,407 24.955,408 1.04,409 29.333,410 0.506,411 13.569,412 0.565,413 3.437,414 0.143,415 8.231,416 0.343,417 0.137,419 0.174,420 0.925,421 1.35,422 1.143,423 1.28,424 0.843,425 1.235,426 0.68,427 1.388,428 1.126,429 1.346,430 0.665,431 1.296,432 0.787,433 1.011,434 0.94,435 1.003,436 0.771,437 0.99,438 1.084,439 0.969,440 1.001,441 0.955,442 1.077,443 0.963,444 1.034,445 0.998,446 0.929,447 0.952,448 1.105,449 0.934,450 1.091,451 1.041,452 1.055,453 1.017,454 1.128,455 1.026,456 0.83,457 0.93,458 1,459 0.958,460 0.84,461 0.989,462 0.855,463 0.99,464 0.978,465 1.011,466 0.895,467 1.01,468 3.5,469 0.091,470 1.778,471 0.75,472 0.862,473 0.486,474 0.304,475 0.208,476 0.14,477 0.111,478 6770,479 13296,480 1.906,481 58.6,482 19,483 7,486 4,488 4,490 1.661,491 1.8,492 3.776,493 1.695,495 1,497 76.351,498 1.316,499 2.901,500 3.971,501 4.789,502 5.155,503 5.224,504 3.272,505 4.22,506 4.543,507 3.928,508 1084.11,509 7.806,510 14315.7,511 1,512 1,513 339.763,514 1.252,515 4.522,516 0.146,517 0.006,518 0.063,519 0.027,520 0.034,521 0.019,522 0.013,523 0.01,524 0.008,525 0.007,526 0.334,528 0.88,529 2.713,530 120.022,531 -0.083,532 0.056,533 -0.019,534 0.047,535 -0.075,536 0.026,537 0.063,538 -0.191,539 -0.095,540 -0.164,541 0.023,542 -0.154,543 0.081,544 0.002,545 0.039,546 -0.004,547 0.079,548 0.008,549 -0.069,550 0.016,551 -0.012,552 0.01,553 -0.045,554 0.007,555 -0.027,556 -0.024,557 0.054,558 0.026,559 -0.019,560 0.045,561 -0.008,562 -0.017,563 -0.043,564 -0.035,565 -0.004,566 -0.042,567 0.163,568 0.057,569 -0.014,570 0.014,571 0.127,572 -0.014,573 -0.041,575 -0.017,576 0.003,577 -0.061,578 -0.003,579 1.848,580 4.99,581 0.25,582 31.639,583 0.983,584 1.139,585 4.071,586 16.569,587 0.605,588 3.219,589 3.367,590 3.466,591 3.526,592 3.664,593 3.611,594 3.638,595 3.664,596 3.611,597 3.497,598 7.908,599 0.55,600 334.56,601 3.219,602 4.654,603 5.407,604 6.188,605 6.967,606 7.76,607 8.552,608 9.353,609 10.155,610 10.961,611 3.4,612 1,617 1,623 4,628 2,630 6,638 58,639 7,640 1,641 24,642 58,643 20,644 6,645 2,646 4,648 1,649 1,652 2,657 11,659 7,660 13,662 1,664 1,667 1,669 1,670 34,671 4,672 4,673 4,677 2,681 1,682 2,683 1,693 1,700 1,704 1,708 1,710 1,712 1,715 24,716 1,717 1,718 11,719 1,721 1,731 3.4,732 1,734 1,737 13.333,738 9.867,739 5.861,740 4.058,741 1.186,742 1.192,743 0.887,744 11.377,745 7.372,746 3.367,747 3.701,748 4.03,749 4.38,750 4.829,751 4.793,752 4.99,753 5.135,754 5.006,755 4.904,756 0.9,757 28,758 8.944,759 3.509,760 7.681,761 17.625,762 13.818,763 2.181,764 52.333,766 1,767 1,768 353.133,769 82.722,770 50.908,772 67.828,774 82.722,775 420.961,776 50.908,777 8.825,778 76.253,779 80.588,780 29.85,781 5.942,783 353.133,785 353.133,786 133.63,787 67.828,790 306.049,791 72.229,792 42.683,793 85.078,794 48.552,797 353.133,798 118.736,799 82.722,801 353.133,802 35.992,803 46.73,804 18.011,805 100.725,806 353.133,807 118.736,808 82.722,810 0.532,811 0.287,812 0.135,813 0.073,814 7,815 4,816 0.224,817 13,819 1,820 3.802,821 155.241,823 6,824 106.039,826 20.823,827 13.113,828 9.63,830 118.736,831 8.063,836 2.111,838 93.591,839 554.592,840 28,842 11.99,845 -0.156,846 56.996,847 66.059,848 0.225,849 0.495,850 0.678,851 0.818,852 0.88,853 0.892,854 4.516,855 1,856 5.293,857 2.531,858 4.043,859 4.382,860 2.027,861 5.905,862 4.021,863 5.592,864 0.843,865 6.73,866 2.275,867 3.219,868 3.829,869 1.593,870 6.418,871 3.19,872 6.801,873 0.563,874 8.271,875 1.55,876 5.434,877 6.26,878 3.019,879 9.458,880 5.391,881 8.047,882 0.242,883 9.876,884 0.946,885 5.485,886 6.572,887 3.114,888 10.835,889 5.43,890 9.332,891 -0.12,892 11.524,893 0.445,894 7.083,895 8.469,896 4.198,897 13.326,898 7.017,899 10.642,900 -0.41,901 13.201,902 -0.238,903 7.581,904 9.173,905 4.555,906 15.059,907 7.502,908 11.971,909 -0.559,910 14.898,911 -0.661,912 8.884,913 10.835,914 5.456,915 17.335,916 8.795,917 2.796,918 -0.896,919 16.61,920 -1.094,921 9.622,922 11.745,923 5.952,924 19.236,925 9.518,926 2.57,927 8.232,928 18.332,929 -1.933,930 10.777,931 13.282,932 6.751,933 21.416,934 10.663,935 2.163,936 7.223,937 20.061,938 3.653,939 11.643,940 14.316,941 7.324,942 23.405,943 11.513,944 1.835,945 6.258,946 21.797,947 3.087,948 12.725,949 15.774,950 8.066,951 25.541,952 12.584,953 1.681,954 3.667,955 23.537,956 2.672,957 13.66,958 16.89,959 8.682,960 27.577,961 13.503,962 1.421,963 3.558,964 25.282,965 1.853,966 14.706,967 18.297,968 9.392,969 29.693,970 14.536,971 1.194,972 2.754,973 27.029,974 1.763,975 15.678,976 19.468,977 10.031,978 31.756,979 15.492,980 7173,981 10227,982 15.485,983 35.103,984 32.758,985 33.674,986 33.861,987 32.638,988 32.619,989 37.991,990 4.432,991 78.88,992 32.23,993 5.015,994 5.718,995 5.889,996 4.787,997 4.796,998 6.653,999 3.416,1000 14.277,1001 4.754,1002 13.174,1003 1.365,1004 1.403,1005 1.411,1006 1.36,1007 1.359,1008 1.583,1009 0.185,1010 3.287,1011 1.343,1012 3.965,1013 4.003,1014 3.893,1015 3.888,1016 7.429,1017 3.883,1018 3.771,1019 3.831,1020 3.647,1021 3.638,1022 6.456,1023 3.621,1024 3.752,1025 3.812,1026 3.589,1027 3.62,1028 4.985,1029 3.613,1030 3.554,1031 3.623,1032 3.397,1033 3.405,1034 4.743,1035 3.387,1036 3.487,1037 3.549,1038 3.319,1039 3.285,1040 4.216,1041 3.293,1042 3.253,1043 3.339,1044 3.058,1045 3.088,1046 4.049,1047 3.066,1048 3.097,1049 3.169,1050 2.907,1051 2.845,1052 3.963,1053 2.847,1054 2.93,1055 3.036,1056 2.705,1057 2.735,1058 3.864,1059 2.715,1060 0.17,1061 0.155,1062 0.247,1063 0.158,1064 0.117,1065 4.089,1066 0.152,1067 3.718,1068 0.081,1069 5.925,1070 0.343,1071 3.783,1072 0.115,1073 2.796,1074 3.653,1075 1.953,1076 8.232,1077 2.754,1078 1.938,1079 1.907,1080 2.086,1081 2.041,1082 1.41,1083 2.054,1084 1.779,1085 1.719,1086 2.012,1087 1.948,1088 1.318,1089 1.973,1090 1.744,1091 1.687,1092 1.978,1093 1.91,1094 1.245,1095 1.938,1096 1.569,1097 1.5,1098 1.847,1099 1.759,1100 1.062,1101 1.79,1102 1.445,1103 1.388,1104 1.688,1105 1.691,1106 0.906,1107 1.697,1108 1.277,1109 1.196,1110 1.606,1111 1.494,1112 0.832,1113 1.536,1114 1.045,1115 0.971,1116 1.363,1117 1.345,1118 0.561,1119 1.35,1120 0.927,1121 0.838,1122 1.309,1123 1.233,1124 0.421,1125 1.259,1126 3.892,1128 5.081,1130 6.447,1132 7.9,1134 9.403,1135 2.238,1138 5.858,1139 8.753,1140 11.131,1141 2.86,1143 -0.514,1148 31.901,1149 76.351,1150 168.267,1151 230.34,1152 277.789,1153 299.008,1154 303.008,1155 79.204,1156 6.186,1157 75.35,1158 75.35,1159 6,1160 11.555,1161 3,1162 2.322,1163 67.664,1164 112,1165 126,1166 0.291,1167 205.095,1168 360.32,1169 492.193,1170 3614,1172 17.623,1173 0.734,1174 0.629,1175 17.623,1176 15.098,1177 11.668,1178 0.486,1179 0.393,1180 9.369,1181 11.414,1182 9.145,1183 7.735,1184 11.668,1185 9.433,1186 9.129,1187 0.326,1188 0.233,1189 9.129,1190 6.53,1191 6.872,1192 0.222,1193 0.139,1194 6.872,1195 4.3,1196 4.728,1197 0.143,1198 0.082,1199 4.728,1200 2.706,1201 3.581,1202 0.094,1203 0.047,1204 3.581,1205 1.782,1206 0.483,1207 71.991,1208 0.254,1209 24.722,1210 0.731,1211 104,1212 247.53,1213 110.734,1214 240.924,1215 315.38,1216 224,1217 111,1218 213.039,1219 117.071,1220 217.398,1221 308.87,1222 205,1223 5.398} {0 CHEMBL572686,1 1.27,2 12.1,3 3.979,4 15.829,5 87.412,6 5.57,7 0.3,8 3.928,9 4.088,10 3.196,11 3.405,12 4.84,13 3.319,14 4.495,15 4.724,16 3.401,17 3.774,18 5.275,19 3.626,20 4.809,21 5.108,22 3.417,23 3.889,24 5.577,25 3.691,26 4.814,27 5.129,28 3.245,29 3.831,30 5.513,31 3.608,32 4.684,33 4.998,34 3.195,35 3.754,36 5.322,37 3.533,38 4.575,39 4.871,40 3.167,41 3.674,42 5.322,43 3.471,44 4.538,45 4.842,46 3.019,47 3.577,48 5.281,49 3.361,50 4.4,51 4.716,52 2.849,53 3.427,54 5.047,55 3.202,56 0.081,57 0.669,58 12.62,59 4.954,60 9.247,61 7.27,62 0.138,63 1.02,64 20.751,65 7.918,66 15.179,67 11.803,68 0.282,69 1.205,70 26.75,71 9.601,72 37.314,73 14.573,74 0.285,75 1.136,76 26.229,77 9.332,78 33.201,79 14.174,80 0.144,81 1.024,82 22.621,83 8.831,84 20.667,85 13.128,86 0.14,87 0.952,88 20.905,89 7.828,90 23.914,91 11.78,92 0.159,93 0.868,94 19.942,95 7.265,96 25.121,97 10.926,98 0.131,99 0.743,100 17.027,101 6.333,102 16.655,103 9.496,104 29,105 23,106 0.222,107 0.516,108 0.721,109 0.808,110 0.857,111 0.871,112 3.054,113 1.193,114 -5.1,115 -4.99,116 -4.68,117 34,118 1,119 7,123 2,124 1,130 4,131 1,132 1,146 1,147 1,148 1,151 12,156 2,158 13,164 2,165 2,166 2,167 12,173 1,174 1,176 9,183 3,185 8,186 2,191 5,193 7,194 2,199 4,200 6,201 1,205 3,206 5,207 1,213 3,214 4,215 1,216 580,217 13.69,218 13.69,219 13.69,220 13.69,221 13.69,222 12.966,223 11.971,224 8.85,225 13.789,226 9.792,227 9.792,228 9.792,229 9.792,230 9.792,231 8.704,232 14.234,233 4.166,234 9.982,235 4.374,236 2.687,237 1.515,238 1.015,239 0.735,240 0.655,241 3.7,243 1,244 1,245 1,246 470,247 3.742,251 77.61,256 2.21,257 12.095,258 1,259 1,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.86,267 42,268 242,269 4.04,270 2.829,271 5.498,272 3.653,273 2.668,274 3.637,275 0.4,276 7.405,277 2.63,278 3.525,279 2.585,280 5.163,281 3.331,282 2.364,283 2.784,285 6.459,286 2.279,287 3.272,288 2.338,289 4.928,290 3.113,291 2.138,292 2.295,294 5.731,295 2.08,296 2.849,297 1.839,298 3.841,299 2.832,300 1.833,301 1.852,303 3.651,304 1.831,305 2.5,306 1.435,307 3.441,308 2.42,309 1.421,310 1.5,312 2.749,313 1.419,314 2.451,315 1.207,316 3.414,317 2,318 1,319 1.45,321 2.275,322 1,323 1.957,324 1,325 3.159,326 1.879,327 0.899,328 0.934,330 1.77,331 0.879,332 1.791,333 0.898,334 2.859,335 1.673,336 0.731,337 0.763,339 1.385,340 0.685,341 1.335,342 0.693,343 2.396,344 1.22,345 0.267,346 0.278,347 0.425,348 0.249,349 1.145,350 0.27,351 2.182,352 1.023,353 0.108,354 0.111,355 0.168,356 0.1,357 0.829,358 -0.189,359 2,360 0.65,361 -0.326,362 -0.356,363 -0.619,364 -0.318,365 0.5,366 -0.605,367 1.639,368 0.283,369 -0.701,370 -0.747,371 -1.345,372 -0.689,373 0.383,374 -0.935,375 1.495,377 -1,378 -1.151,379 -2.41,380 -1,381 -0.019,382 -1,383 1.124,384 -0.128,385 -1.098,386 -1.362,387 -2.708,388 -1.061,389 -0.218,390 -1.113,391 0.814,392 -0.323,393 -1.303,394 -1.5,395 -3,396 -1.261,397 9.633,398 0.482,399 0.242,400 0.012,401 17.5,402 0.875,403 6.5,404 0.325,405 11,406 0.55,407 19.512,408 0.976,409 24.567,410 0.491,411 9.837,412 0.492,413 2.909,414 0.145,415 6.849,416 0.342,417 0.128,419 0.156,420 1.171,421 1.354,422 1.211,423 1.273,424 1.181,425 1.246,426 0.964,427 1.367,428 1.2,429 1.31,430 0.887,431 1.282,432 0.72,433 1.009,434 0.988,435 1.026,436 0.653,437 1.026,438 0.993,439 0.877,440 1.007,441 0.914,442 0.962,443 0.955,444 0.495,445 0.98,446 0.847,447 0.986,448 0.497,449 0.955,450 0.659,451 1.116,452 0.984,453 1.118,454 0.629,455 1.081,456 0.963,457 1.037,458 1.018,459 1.063,460 0.977,461 1.049,462 0.818,463 0.961,464 0.921,465 0.973,466 0.807,467 0.962,468 3,469 0.054,470 1.333,471 0.25,472 0.542,473 0.347,474 0.182,475 0.177,476 0.103,477 0.066,478 4086,479 7461,480 1.916,481 60,482 17,483 9,486 4,490 1.607,491 1.818,492 3.574,493 1.83,495 1,497 63.499,498 1.27,499 2.956,500 4.128,501 4.629,502 4.909,503 4.989,504 3.109,505 3.784,506 4.282,507 3.724,508 707.649,509 7.268,510 8067.93,511 1,512 1,513 282.193,514 1.181,515 4.265,516 0.15,517 0.006,518 0.058,519 0.011,520 0.03,521 0.019,522 0.011,523 0.013,524 0.009,525 0.006,526 0.313,527 0.5,528 0.88,529 2.604,530 93.645,531 -0.109,532 0.061,533 -0.021,534 0.053,535 -0.135,536 0.029,537 -0.074,538 -0.162,539 -0.127,540 -0.137,541 -0.059,542 -0.139,543 0.128,544 0.016,545 -0.001,546 -0.027,547 0.135,548 -0.027,549 -0.002,550 0.081,551 -0.037,552 0.04,553 -0.044,554 0.004,555 0.055,556 -0.023,557 0.075,558 0.025,559 0.057,560 0.047,561 0.027,562 -0.095,563 -0.017,564 -0.087,565 0.074,566 -0.058,567 -0.029,568 -0.066,569 -0.048,570 -0.073,571 -0.008,572 -0.063,573 -0.004,574 -0.025,575 0.021,576 0.003,577 -0.019,578 0.012,579 1.53,580 2.866,581 0.3,582 23.2,583 0.978,584 1.14,585 3.865,586 14.941,587 0.603,588 3.045,589 3.178,590 3.258,591 3.296,592 3.466,593 3.401,594 3.367,595 3.401,596 3.367,597 3.135,598 6.949,599 0.543,600 278.49,601 3.045,602 4.466,603 5.209,604 5.979,605 6.746,606 7.527,607 8.307,608 9.095,609 9.883,610 10.676,611 4,612 1,615 1,623 4,628 2,630 6,633 1,638 50,639 6,640 1,641 20,642 50,643 17,644 6,645 2,646 4,648 1,649 1,652 2,657 8,659 6,660 11,669 1,670 30,671 3,672 4,673 3,677 2,681 1,682 1,683 1,693 1,704 1,708 1,710 1,712 1,715 20,716 1,717 1,718 9,719 1,721 1,731 2,732 1,737 11,738 8.45,739 4.917,740 3.412,741 1.139,742 1.195,743 0.888,744 9.299,745 6.98,746 3.178,747 3.512,748 3.855,749 4.218,750 4.701,751 4.616,752 4.665,753 4.766,754 4.8,755 4.535,756 1,757 22,758 7.425,759 2.855,760 7.533,761 14.84,762 11.588,763 2.033,764 40.667,765 0.002,767 1,768 306.049,769 72.52,770 50.908,772 42.683,774 72.52,775 348.732,776 50.908,777 8.825,778 52.745,779 80.588,780 18.011,781 5.942,783 306.049,785 306.049,786 123.428,787 42.683,790 306.049,792 42.683,793 61.57,794 43.847,795 18.011,797 306.049,798 93.591,799 72.52,801 306.049,802 25.79,803 46.73,804 18.011,805 75.581,806 306.049,807 93.591,808 72.52,810 0.53,811 0.284,812 0.127,813 0.071,814 6,815 3,816 0.22,817 11,819 1,820 3.434,821 118.764,823 6,824 82.439,826 17.156,827 10.84,828 8.109,830 93.591,831 8.546,836 2.47,838 93.591,839 472.16,840 23,846 48.901,847 57.019,848 0.225,849 0.524,850 0.731,851 0.82,852 0.87,853 0.884,854 4.311,855 0.731,856 5.081,857 1.77,858 3.85,859 4.19,860 0.278,861 5.652,862 3.812,863 5.372,864 0.267,865 6.491,866 1.385,867 2.944,868 3.526,870 6.071,871 2.879,872 6.564,873 0.108,874 7.993,875 0.425,876 5.209,877 6.071,878 0.05,879 9.04,880 5.133,881 7.793,882 -0.326,883 9.552,884 0.168,885 5.142,886 6.282,888 10.299,889 5.024,890 9.058,891 -0.701,892 11.146,893 -0.619,894 6.788,895 8.286,896 0.008,897 12.701,898 6.672,899 10.348,900 -1,901 12.763,902 -1.345,903 7.151,904 8.916,906 14.316,907 6.995,908 11.657,909 -1.098,910 14.397,911 -2.41,912 8.489,913 10.664,914 0.001,915 16.492,916 8.338,917 2.668,918 -1.303,919 16.042,920 -2.708,921 9.099,922 11.528,924 18.282,925 8.912,926 2.364,927 7.405,928 17.695,929 -3,930 10.271,931 13.125,933 20.356,934 10.087,935 2.138,936 6.459,937 19.354,938 3.637,939 11.028,940 14.132,942 22.238,943 10.815,944 1.833,945 5.731,946 21.018,947 2.784,948 12.108,949 15.632,951 24.266,952 11.894,953 1.421,954 3.651,955 22.686,956 2.295,957 12.952,958 16.733,960 26.198,961 12.715,962 1,963 2.749,964 24.356,965 1.852,966 13.982,967 18.166,969 28.204,970 13.741,971 0.899,972 2.275,973 26.029,974 1.5,975 14.879,976 19.329,978 30.164,979 14.619,980 4361,981 6007,982 13,983 30.126,984 26.738,985 27.446,986 27.996,987 26.788,988 26.862,989 31.208,990 0.8,991 64.033,992 26.305,993 4.959,994 4.829,995 5.461,996 4.653,997 4.668,998 6.637,999 0.8,1000 12.68,1001 4.63,1002 10.319,1003 1.337,1004 1.372,1005 1.4,1006 1.339,1007 1.343,1008 1.56,1009 0.04,1010 3.202,1011 1.315,1012 3.959,1013 3.999,1014 3.883,1015 3.886,1016 6.457,1017 3.881,1018 3.758,1019 3.824,1020 3.593,1021 3.638,1022 4.991,1023 3.618,1024 3.668,1025 3.736,1026 3.527,1027 3.481,1028 4.75,1029 3.482,1030 3.526,1031 3.6,1032 3.34,1033 3.384,1034 4.218,1035 3.364,1036 3.26,1037 3.346,1038 3.07,1039 3.094,1040 4.093,1041 3.073,1042 3.073,1043 3.164,1044 2.858,1045 2.826,1046 3.945,1047 2.819,1048 2.884,1049 2.983,1050 2.687,1051 2.735,1052 3.674,1053 2.715,1054 2.854,1055 2.925,1056 2.644,1057 2.631,1058 3.659,1059 2.615,1060 0.202,1061 0.141,1062 0.275,1063 0.183,1064 0.133,1065 4.04,1066 0.182,1067 2.829,1068 0.02,1069 5.498,1070 0.37,1071 3.653,1072 0.132,1073 2.668,1074 3.637,1075 0.4,1076 7.405,1077 2.63,1078 1.938,1079 1.906,1080 2.087,1081 2.041,1082 1.41,1083 2.056,1084 1.776,1085 1.715,1086 2.012,1087 1.937,1088 1.249,1089 1.967,1090 1.633,1091 1.566,1092 1.879,1093 1.853,1094 1.143,1095 1.866,1096 1.55,1097 1.481,1098 1.819,1099 1.735,1100 1.04,1101 1.771,1102 1.281,1103 1.201,1104 1.609,1105 1.501,1106 0.833,1107 1.54,1108 1.039,1109 0.951,1110 1.377,1111 1.347,1112 0.567,1113 1.36,1114 0.888,1115 0.821,1116 1.297,1117 1.199,1118 0.466,1119 1.226,1120 0.886,1121 0.789,1122 1.181,1123 1.134,1124 0.276,1125 1.157,1126 3.714,1128 4.89,1130 6.244,1132 7.68,1134 9.164,1135 2.253,1138 5.654,1139 8.866,1140 9.845,1141 3.228,1143 -0.196,1148 27.133,1149 63.499,1150 147.821,1151 206.418,1152 231.438,1153 245.438,1154 249.438,1155 46.426,1156 5.841,1157 58.28,1158 58.28,1159 6,1160 11.281,1161 2.807,1162 2,1163 50.219,1164 82,1165 88,1166 0.297,1167 175.249,1168 302.27,1169 419.369,1170 2254,1172 14.632,1173 0.732,1174 0.639,1175 14.632,1176 12.775,1177 9.758,1178 0.488,1179 0.398,1180 7.899,1181 9.571,1182 7.688,1183 6.525,1184 9.758,1185 7.952,1186 7.534,1187 0.328,1188 0.241,1189 7.534,1190 5.538,1191 5.697,1192 0.228,1193 0.143,1194 5.697,1195 3.576,1196 3.747,1197 0.144,1198 0.085,1199 3.747,1200 2.212,1201 2.957,1202 0.095,1203 0.049,1204 2.957,1205 1.513,1206 0.492,1207 59.995,1208 0.277,1209 21.111,1210 0.746,1211 86,1212 175.795,1213 90.187,1214 174.791,1215 233,1216 164,1217 91,1218 158.839,1219 95.076,1220 164.615,1221 232.48,1222 155,1223 5.301} {0 CHEMBL572687,1 1.349,2 12.818,3 3.434,4 11.789,5 90.726,6 5.894,7 0.273,8 3.973,9 4.124,10 3.287,11 3.452,12 4.949,13 3.379,14 4.534,15 4.751,16 3.522,17 3.82,18 5.416,19 3.687,20 4.853,21 5.136,22 3.565,23 3.933,24 5.734,25 3.765,26 4.849,27 5.14,28 3.476,29 3.876,30 5.76,31 3.703,32 4.768,33 5.056,34 3.422,35 3.802,36 5.754,37 3.627,38 4.638,39 4.921,40 3.266,41 3.733,42 5.462,43 3.549,44 4.585,45 4.883,46 3.171,47 3.667,48 5.339,49 3.466,50 4.495,51 4.787,52 3.067,53 3.534,54 5.314,55 3.343,56 0.076,57 0.695,58 12.848,59 5.123,60 9.962,61 7.381,62 0.182,63 1.061,64 21.691,65 8.301,66 21.424,67 12.198,68 0.331,69 1.26,70 28.967,71 9.953,72 50.073,73 15.073,74 0.347,75 1.2,76 28.855,77 9.443,78 55.616,79 14.465,80 0.42,81 1.089,82 26.571,83 9.001,84 71.493,85 13.521,86 0.208,87 1.014,88 23.081,89 8.195,90 33.764,91 12.356,92 0.149,93 0.948,94 21.499,95 7.951,96 24.454,97 11.949,98 0.182,99 0.827,100 19.854,101 6.996,102 30.012,103 10.458,104 39,105 26,106 0.232,107 0.523,108 0.703,109 0.814,110 0.86,111 0.873,112 3.144,113 1.15,114 -4.84,115 -4.75,116 -4.46,117 34.6,118 1,119 8,123 1,124 1,130 4,131 1,132 1,142 1,146 1,147 1,148 1,151 12,154 1,156 4,158 13,159 1,161 1,162 1,163 1,164 1,165 3,166 1,167 12,170 2,173 1,174 1,175 1,176 9,179 2,181 1,182 1,183 3,185 10,186 2,188 1,191 3,193 9,194 2,196 1,199 4,200 7,201 1,203 1,205 4,206 6,207 1,209 1,213 3,214 5,215 1,216 692,217 14.897,218 14.897,219 14.897,220 14.897,221 14.897,222 14.043,223 13.692,224 9.615,225 14.984,226 10.798,227 10.798,228 10.798,229 10.798,230 10.798,231 9.457,232 14.592,233 4.499,234 10.935,235 4.351,236 2.664,237 1.616,238 0.976,239 0.707,240 0.63,241 3.79,243 1,244 1,245 1,246 548,247 4.123,251 86.911,256 2.289,257 19.553,258 1,259 1,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.86,267 47,268 282,269 4.089,270 3.718,271 5.925,272 3.782,273 2.795,274 3.653,275 1.953,276 8.229,277 2.751,278 3.856,279 2.788,280 5.459,281 3.568,282 2.569,283 3.087,284 0.263,285 7.222,286 2.563,287 3.426,288 2.379,289 5.108,290 3.139,291 2.159,292 2.671,294 6.254,295 2.114,296 2.85,297 2.109,298 3.947,299 2.833,300 1.834,301 1.852,303 3.656,304 1.832,305 2.636,306 1.838,307 3.836,308 2.45,309 1.458,310 1.596,312 3.265,313 1.442,314 2.5,315 1.448,316 3.427,317 2.377,318 1.382,319 1.5,321 2.722,322 1.367,323 2.445,324 1.424,325 3.414,326 2,327 1,328 1.441,330 2.275,331 1,332 1.903,333 1,334 2.99,335 1.85,336 0.861,337 0.886,339 1.572,340 0.85,341 1.84,342 0.913,343 2.825,344 1.684,345 0.75,346 0.789,347 1.265,348 0.692,349 1.412,350 0.589,351 2.368,352 1.244,353 0.244,354 0.264,355 0.449,356 0.243,357 1.078,358 0.209,359 2.168,360 0.878,361 -0.121,362 -0.14,363 -0.24,364 -0.12,365 0.657,366 -0.139,367 2,368 0.451,369 -0.548,370 -0.572,371 -0.893,372 -0.515,373 0.5,374 -0.256,375 1.657,376 0.303,377 -0.599,378 -0.63,379 -1.097,380 -0.567,381 0.424,382 -0.586,383 1.512,384 0.116,385 -0.896,386 -1.051,387 -1.933,388 -0.902,389 0.336,390 -0.859,391 1.271,393 -1,394 -1.401,395 -2.554,396 -1,397 10.467,398 0.476,399 0.332,400 0.015,401 20.25,402 0.92,403 8,404 0.364,405 12.25,406 0.557,407 21.418,408 0.974,409 26.733,410 0.514,411 12.998,412 0.591,413 3.437,414 0.156,415 7.231,416 0.329,417 0.15,419 0.191,420 0.925,421 1.334,422 1.115,423 1.256,424 0.846,425 1.207,426 0.68,427 1.376,428 1.096,429 1.327,430 0.673,431 1.273,432 0.803,433 1.014,434 0.942,435 1.004,436 0.795,437 0.991,438 1.034,439 0.955,440 0.998,441 0.961,442 1.025,443 0.968,444 0.902,445 0.917,446 0.92,447 0.92,448 0.974,449 0.927,450 0.865,451 1.041,452 1.026,453 1.046,454 0.881,455 1.052,456 0.505,457 1.06,458 0.913,459 1.092,460 0.461,461 1.052,462 0.931,463 1.015,464 0.966,465 1.034,466 0.919,467 1.012,468 3.5,469 0.07,470 1.778,471 0.75,472 0.782,473 0.375,474 0.263,475 0.208,476 0.14,477 0.101,478 5188,479 10786,480 1.898,481 57.7,482 17,483 7,486 4,489 2,490 1.636,491 1.784,492 3.642,493 1.78,495 1,497 70.157,498 1.349,499 3.037,500 4.084,501 4.724,502 4.994,503 5.071,504 3.14,505 3.573,506 4.419,507 3.794,508 876.423,509 7.552,510 10671.2,511 1,512 1,513 296.423,514 1.309,515 4.391,516 0.159,517 0.006,518 0.068,519 0.029,520 0.034,521 0.017,522 0.014,523 0.012,524 0.009,525 0.008,526 0.357,528 0.88,529 2.628,530 106.226,531 -0.092,532 0.062,533 -0.021,534 0.053,535 -0.086,536 0.03,537 0.063,538 -0.184,539 -0.082,540 -0.153,541 0.018,542 -0.142,543 0.074,544 0.002,545 0.037,546 -0.006,547 0.066,548 0.006,549 -0.003,550 0.03,551 -0.007,552 -0.001,553 0.025,554 -0.003,555 0.168,556 0.037,557 0.064,558 0.054,559 0.17,560 0.047,561 -0.063,562 -0.026,563 -0.06,564 -0.031,565 -0.057,566 -0.043,567 0.042,568 -0.067,569 0.011,570 -0.073,571 0.035,572 -0.037,573 -0.027,574 -0.062,575 -0.006,576 -0.042,577 -0.025,578 -0.024,579 1.993,580 4.737,581 0.273,582 26.132,583 0.985,584 1.139,585 3.611,586 13.037,587 0.607,588 3.135,589 3.296,590 3.401,591 3.466,592 3.584,593 3.497,594 3.555,595 3.584,596 3.497,597 3.367,598 7.27,599 0.555,600 306.5,601 3.135,602 4.575,603 5.333,604 6.12,605 6.903,606 7.7,607 8.496,608 9.3,609 10.103,610 10.911,611 3.8,612 1,617 1,623 4,628 2,630 6,638 52,639 7,640 1,641 22,642 52,643 18,644 6,645 2,646 4,648 1,649 1,652 2,657 9,659 7,660 11,662 1,664 1,667 1,668 1,669 1,670 30,671 4,672 4,673 4,677 2,681 1,682 2,683 1,693 1,700 1,704 1,708 1,710 1,712 1,715 22,716 1,717 1,718 9,719 1,721 1,731 3.8,732 1,734 1,737 12.333,738 8.867,739 5.361,740 3.558,741 1.207,742 1.2,743 0.886,744 9.722,745 7.23,746 3.296,747 3.651,748 3.994,749 4.355,750 4.805,751 4.75,752 4.962,753 5.111,754 4.955,755 4.817,756 0.889,757 26,758 8.185,759 3.224,760 7.742,761 15.992,762 12.484,763 2.242,764 49.333,765 0.001,767 1,768 306.049,769 77.653,770 50.908,772 67.828,774 77.653,775 373.877,776 50.908,777 8.825,778 71.184,779 80.588,780 29.85,781 5.942,783 306.049,785 306.049,786 128.561,787 67.828,790 282.506,791 48.687,792 42.683,793 80.009,794 48.552,797 306.049,798 118.736,799 77.653,801 306.049,802 30.923,803 46.73,804 18.011,805 100.725,806 306.049,807 118.736,808 77.653,810 0.535,811 0.293,812 0.141,813 0.074,814 7,815 4,816 0.212,817 11,819 1,820 3.57,821 138.614,823 6,824 94.107,826 18.827,827 11.36,828 8.125,830 118.736,831 7.935,836 2.054,838 93.591,839 502.438,840 26,842 11.737,845 -0.252,846 51.229,847 59.228,848 0.237,849 0.533,850 0.716,851 0.829,852 0.876,853 0.889,854 4.449,855 0.861,856 5.231,857 2.275,858 3.97,859 4.331,860 2.027,861 5.861,862 3.947,863 5.538,864 0.75,865 6.681,866 1.572,867 3.219,868 3.829,869 1.593,870 6.418,871 3.19,872 6.757,873 0.244,874 8.234,875 1.265,876 5.38,877 6.237,878 3.019,879 9.441,880 5.335,881 8.013,882 -0.121,883 9.85,884 0.449,885 5.485,886 6.572,887 3.114,888 10.835,889 5.43,890 9.306,891 -0.548,892 11.506,893 -0.24,894 7.048,895 8.46,896 4.198,897 13.319,898 6.98,899 10.623,900 -0.599,901 13.188,902 -0.893,903 7.581,904 9.173,905 4.555,906 15.058,907 7.501,908 11.957,909 -0.896,910 14.889,911 -1.097,912 8.863,913 10.832,914 5.456,915 17.33,916 8.77,917 2.795,918 -1,919 16.603,920 -1.933,921 9.621,922 11.745,923 5.952,924 19.234,925 9.514,926 2.569,927 8.229,928 18.327,929 -2.554,930 10.764,931 13.281,932 6.751,933 21.412,934 10.645,935 2.159,936 7.222,937 20.058,938 3.653,939 11.641,940 14.315,941 7.324,942 23.401,943 11.506,944 1.834,945 6.254,946 21.794,947 3.087,948 12.716,949 15.774,950 8.066,951 25.536,952 12.569,953 1.458,954 3.656,955 23.535,956 2.671,957 13.656,958 16.89,959 8.682,960 27.573,961 13.493,962 1.382,963 3.265,964 25.28,965 1.852,966 14.698,967 18.296,968 9.392,969 29.687,970 14.522,971 1,972 2.722,973 27.027,974 1.596,975 15.673,976 19.468,977 10.031,978 31.751,979 15.48,980 5531,981 8173,982 14.099,983 31.58,984 30.278,985 31.117,986 31.325,987 30.129,988 30.106,989 35.478,990 4.432,991 73.816,992 29.709,993 5.009,994 5.718,995 5.888,996 4.782,997 4.795,998 6.653,999 3.416,1000 14.264,1001 4.751,1002 12.391,1003 1.376,1004 1.414,1005 1.424,1006 1.369,1007 1.368,1008 1.613,1009 0.201,1010 3.355,1011 1.35,1012 3.962,1013 4,1014 3.891,1015 3.887,1016 7.429,1017 3.882,1018 3.761,1019 3.824,1020 3.625,1021 3.638,1022 6.456,1023 3.619,1024 3.717,1025 3.77,1026 3.581,1027 3.543,1028 4.982,1029 3.551,1030 3.533,1031 3.607,1032 3.347,1033 3.395,1034 4.743,1035 3.373,1036 3.317,1037 3.381,1038 3.169,1039 3.113,1040 4.216,1041 3.105,1042 3.205,1043 3.281,1044 3.001,1045 2.966,1046 4.048,1047 2.976,1048 2.97,1049 3.076,1050 2.761,1051 2.748,1052 3.873,1053 2.733,1054 2.854,1055 2.929,1056 2.687,1057 2.735,1058 3.674,1059 2.715,1060 0.186,1061 0.169,1062 0.269,1063 0.172,1064 0.127,1065 4.089,1066 0.166,1067 3.718,1068 0.089,1069 5.925,1070 0.374,1071 3.782,1072 0.125,1073 2.795,1074 3.653,1075 1.953,1076 8.229,1077 2.751,1078 1.937,1079 1.906,1080 2.085,1081 2.04,1082 1.41,1083 2.053,1084 1.776,1085 1.715,1086 2.009,1087 1.938,1088 1.246,1089 1.966,1090 1.671,1091 1.619,1092 1.889,1093 1.877,1094 1.16,1095 1.886,1096 1.561,1097 1.491,1098 1.838,1099 1.742,1100 1.057,1101 1.779,1102 1.295,1103 1.219,1104 1.613,1105 1.537,1106 0.838,1107 1.554,1108 1.159,1109 1.096,1110 1.433,1111 1.455,1112 0.565,1113 1.466,1114 0.961,1115 0.87,1116 1.334,1117 1.256,1118 0.461,1119 1.275,1120 0.886,1121 0.821,1122 1.181,1123 1.132,1124 0.287,1125 1.152,1126 3.807,1128 5.004,1130 6.382,1132 7.847,1134 9.36,1135 2.233,1138 5.649,1139 8.778,1140 9.089,1141 2.769,1143 -0.659,1148 28.848,1149 70.157,1150 157.909,1151 212.365,1152 245.668,1153 259.668,1154 263.668,1155 66.444,1156 6.023,1157 75.35,1158 75.35,1159 6,1160 11.503,1161 3,1162 2.322,1163 58.649,1164 97,1165 104,1166 0.302,1167 185.911,1168 325.72,1169 445.382,1170 2836,1172 16.209,1173 0.737,1174 0.622,1175 16.209,1176 13.684,1177 10.668,1178 0.485,1179 0.383,1180 8.369,1181 10.414,1182 8.165,1183 6.903,1184 10.668,1185 8.433,1186 8.422,1187 0.324,1188 0.224,1189 8.422,1190 5.823,1191 6.353,1192 0.219,1193 0.132,1194 6.353,1195 3.817,1196 4.467,1197 0.144,1198 0.076,1199 4.467,1200 2.369,1201 3.293,1202 0.094,1203 0.044,1204 3.293,1205 1.528,1206 0.497,1207 65.991,1208 0.266,1209 22.826,1210 0.762,1211 96,1212 239.53,1213 102.734,1214 232.601,1215 303.86,1216 216,1217 103,1218 205.039,1219 109.071,1220 209.076,1221 297.38,1222 197,1223 5.658} {0 CHEMBL572723,1 1.332,2 12.522,3 3.954,4 15.631,5 94.917,6 5.828,7 0.261,8 4.026,9 4.178,10 3.33,11 3.506,12 4.996,13 3.43,14 4.593,15 4.812,16 3.646,17 3.886,18 5.498,19 3.767,20 4.935,21 5.192,22 3.697,23 4.032,24 5.942,25 3.879,26 5.015,27 5.32,28 3.585,29 3.988,30 5.982,31 3.802,32 4.871,33 5.171,34 3.413,35 3.863,36 5.748,37 3.683,38 4.669,39 4.952,40 3.378,41 3.796,42 5.505,43 3.622,44 4.651,45 4.928,46 3.281,47 3.771,48 5.479,49 3.58,50 4.626,51 4.928,52 3.085,53 3.657,54 5.378,55 3.438,56 0.08,57 0.734,58 13.635,59 5.466,60 12.761,61 7.877,62 0.175,63 1.128,64 23.12,65 8.867,66 24.596,67 12.998,68 0.444,69 1.382,70 32.22,71 10.835,72 74.632,73 16.241,74 0.501,75 1.376,76 33.79,77 10.68,78 85.721,79 16.626,80 0.344,81 1.178,82 29.042,83 9.504,84 58.582,85 14.45,86 0.182,87 1.066,88 23.709,89 8.722,90 32.995,91 13.033,92 0.174,93 1.04,94 23.263,95 8.683,96 31.1,97 12.899,98 0.191,99 0.942,100 22.214,101 8.092,102 30.621,103 12.091,104 56,105 30,106 0.226,107 0.516,108 0.681,109 0.784,110 0.827,111 0.84,112 3.186,113 1.137,114 -5.07,115 -4.97,116 -4.66,117 34.5,118 3,119 7,124 1,125 1,130 4,131 1,132 1,142 1,146 1,147 1,148 1,151 12,154 1,156 4,158 14,162 1,163 1,164 2,165 4,166 2,167 12,168 2,170 4,172 1,173 1,174 3,176 9,179 2,183 3,185 8,186 2,188 1,191 5,193 11,194 2,196 1,199 4,200 10,201 1,203 1,205 3,206 7,207 1,209 1,213 3,214 6,215 1,216 785,217 14.792,218 14.792,219 14.792,220 14.792,221 14.792,222 13.938,223 14.526,224 9.145,225 14.885,226 11.3,227 11.3,228 11.3,229 11.3,230 11.3,231 9.966,232 15.833,233 4.347,234 11.464,235 4.449,236 2.747,237 1.774,238 1.168,239 0.914,240 0.841,241 3.826,243 1,244 1,245 1,246 559,247 4.583,251 91.549,256 2.325,257 21.978,258 1,259 1,260 0.83,261 0.83,262 1,263 1,264 1,265 1,266 0.95,267 49,268 288,269 4.381,270 3.861,271 7.17,272 4.306,273 3.341,274 3.66,275 1.953,276 11.764,277 3.214,278 4.043,279 3.225,280 5.601,281 3.664,282 2.679,283 3.421,284 0.263,285 7.624,286 2.638,287 3.61,288 2.781,289 5.34,290 3.336,291 2.348,292 2.838,294 6.807,295 2.308,296 3.295,297 2.355,298 5.006,299 2.978,300 1.978,301 2.448,303 5.724,304 1.97,305 2.848,306 1.838,307 3.843,308 2.824,309 1.825,310 1.851,312 3.65,313 1.823,314 2.5,315 1.478,316 3.672,317 2.415,318 1.416,319 1.5,321 2.745,322 1.414,323 2.447,324 1.424,325 3.42,326 2,327 1,328 1.446,330 2.275,331 1,332 1.92,333 1,334 3.414,335 1.857,336 0.865,337 0.894,339 1.88,340 0.857,341 1.853,342 0.912,343 2.924,344 1.673,345 0.707,346 0.764,347 1.492,348 0.676,349 1.41,350 0.581,351 2.66,352 1.238,353 0.237,354 0.256,355 0.438,356 0.237,357 1.078,358 0.199,359 2.261,360 0.872,361 -0.131,362 -0.152,363 -0.261,364 -0.13,365 0.655,366 -0.235,367 2,368 0.45,369 -0.557,370 -0.611,371 -1.094,372 -0.558,373 0.5,374 -0.45,375 2,376 0.116,377 -0.896,378 -1,379 -1.933,380 -0.858,381 0.339,382 -0.586,383 2,385 -1,386 -1,387 -2.554,388 -0.902,390 -0.854,391 1.902,393 -1,394 -1.051,395 -3,396 -1,397 10.967,398 0.477,399 0.658,400 0.029,401 20.75,402 0.902,403 8,404 0.348,405 12.75,406 0.554,407 24.724,408 1.075,409 28.033,410 0.51,411 13.945,412 0.606,413 3.348,414 0.146,415 7.494,416 0.326,417 0.234,418 0.046,419 0.182,420 0.925,421 1.342,422 1.129,423 1.269,424 0.895,425 1.222,426 0.607,427 1.343,428 0.977,429 1.281,430 0.598,431 1.187,432 1.183,433 1.14,434 1.116,435 1.119,436 1.123,437 1.119,438 0.934,439 0.922,440 0.948,441 0.911,442 0.924,443 0.919,444 1.336,445 0.824,446 0.989,447 0.82,448 1.407,449 0.86,450 0.713,451 1.043,452 0.932,453 1.041,454 0.696,455 1.013,456 0.723,457 1.139,458 1.049,459 1.177,460 0.669,461 1.153,462 0.79,463 1.02,464 0.98,465 1.05,466 0.822,467 1.043,468 5.5,469 0.103,470 2.444,471 1.125,472 0.782,473 0.597,474 0.426,475 0.247,476 0.217,477 0.126,478 5689,479 11179,480 1.846,481 58.2,482 17,483 5,486 4,488 6,490 1.648,491 1.693,492 3.569,493 1.736,495 1,497 73.264,498 1.332,499 3.035,500 4.008,501 4.613,502 4.867,503 4.94,504 3.088,505 4.143,506 4.486,507 3.786,508 957.855,509 7.682,510 11938.5,511 1,512 1,513 317.975,514 1.631,515 4.414,516 0.239,517 0.009,518 0.081,519 0.039,520 0.031,521 0.027,522 0.019,523 0.013,524 0.014,525 0.009,526 0.482,528 1,529 2.518,530 112.254,531 -0.087,532 0.059,533 -0.02,534 0.05,535 -0.126,536 0.028,537 0.137,538 -0.147,539 0.048,540 -0.102,541 0.095,542 -0.048,543 0.056,544 -0.088,545 -0.075,546 -0.094,547 0.068,548 -0.105,549 0.131,550 0.038,551 0.039,552 0.011,553 0.148,554 0.018,555 -0.125,556 0.111,557 0.008,558 0.114,559 -0.085,560 0.081,561 0.001,562 -0.014,563 0.03,564 -0.002,565 0.03,566 0.016,567 -0.022,568 -0.101,569 -0.088,570 -0.124,571 -0.022,572 -0.113,573 -0.025,574 -0.071,575 -0.042,576 -0.057,577 -0.06,578 -0.053,579 2.484,580 4.945,581 0.261,582 26.321,583 0.984,584 1.139,585 3.843,586 14.769,587 0.606,588 3.178,589 3.434,590 3.497,591 3.526,592 3.584,593 3.584,594 3.611,595 3.638,596 3.664,597 3.497,598 7.303,599 0.552,600 320.53,601 3.178,602 4.673,603 5.442,604 6.271,605 7.064,606 7.901,607 8.704,608 9.547,609 10.356,610 11.203,611 3.6,612 1,617 1,623 4,628 2,630 6,638 55,639 7,640 1,641 23,642 55,643 19,644 6,645 2,646 4,648 1,649 1,652 3,657 8,659 7,660 12,661 1,662 1,664 1,667 1,669 1,670 32,671 4,672 4,673 4,677 2,681 1,682 2,685 1,693 1,700 1,704 1,708 1,710 1,712 3,715 23,716 1,717 1,718 7,719 1,721 1,723 1,731 3.6,732 1,734 1,737 13.583,738 10.117,739 5.278,740 3.675,741 1.196,742 1.196,743 0.866,744 8.46,745 7.303,746 3.332,747 3.75,748 4.047,749 4.405,750 4.796,751 4.793,752 5.003,753 5.164,754 5.129,755 5.015,756 1,757 29,758 8.593,759 3.479,760 7.743,761 16.668,762 13.182,763 2.243,764 51.583,767 1,768 329.591,769 92.769,770 50.908,772 67.828,774 92.769,775 397.419,776 50.908,777 26.476,778 68.65,779 80.588,780 29.85,781 5.942,783 329.591,785 329.591,786 143.677,787 67.828,790 258.964,791 95.772,792 42.683,793 95.125,794 48.552,797 329.591,798 118.736,799 92.769,801 329.591,802 28.389,803 64.381,804 18.011,805 100.725,806 329.591,807 118.736,808 92.769,810 0.567,811 0.298,812 0.129,813 0.062,814 10,815 6,816 0.182,817 10,819 1,820 3.545,821 152.165,823 6,824 98.042,826 19.825,827 9.815,828 7.735,830 118.736,831 7.858,836 1.992,838 93.591,839 541.096,840 27,842 11.945,845 -0.374,846 54.112,847 62.643,848 0.23,849 0.525,850 0.693,851 0.798,852 0.842,853 0.855,854 4.549,855 0.865,856 5.451,857 2.275,858 4.111,859 4.431,860 2.027,861 6.221,862 4.077,863 5.715,864 0.707,865 7.008,866 1.88,867 3.892,868 4.248,869 1.593,870 7.427,871 3.8,872 7.001,873 0.237,874 8.694,875 1.492,876 5.733,877 6.402,878 3.019,879 10.361,880 5.644,881 8.324,882 -0.131,883 10.461,884 0.438,885 6.33,886 6.942,887 3.114,888 12.382,889 6.168,890 9.682,891 -0.557,892 12.283,893 -0.261,894 7.724,895 8.674,896 4.198,897 14.981,898 7.555,899 11.061,900 -0.896,901 14.142,902 -1.094,903 8.668,904 9.516,905 4.555,906 17.283,907 8.431,908 12.458,909 -1,910 16.028,911 -1.933,912 9.918,913 11.075,914 5.456,915 19.793,916 9.658,917 3.341,918 -1,919 17.934,920 -2.554,921 11.008,922 12.073,923 5.952,924 22.197,925 10.692,926 2.679,927 11.764,928 19.855,929 -3,930 12.215,931 13.539,932 6.751,933 24.679,934 11.866,935 2.348,936 7.624,937 21.788,938 3.66,939 13.368,940 14.629,941 7.324,942 27.12,943 12.97,944 1.978,945 6.807,946 23.73,947 3.421,948 14.565,949 16.038,950 8.066,951 29.592,952 14.129,953 1.825,954 5.724,955 25.678,956 2.838,957 15.746,958 17.189,959 8.682,960 32.048,961 15.264,962 1.416,963 3.65,964 27.632,965 2.448,966 16.943,967 18.56,968 9.392,969 34.515,970 16.421,971 1,972 2.745,973 29.589,974 1.851,975 18.135,976 19.752,977 10.031,978 36.977,979 17.571,980 6076,981 8718,982 14.099,983 33.341,984 33.136,985 33.848,986 33.927,987 32.843,988 32.794,989 38.158,990 4.432,991 88.796,992 32.274,993 5.301,994 5.861,995 7.134,996 5.307,997 5.341,998 6.66,999 3.416,1000 19.167,1001 5.214,1002 15.249,1003 1.441,1004 1.472,1005 1.475,1006 1.428,1007 1.426,1008 1.659,1009 0.193,1010 3.861,1011 1.403,1012 3.966,1013 4.003,1014 3.895,1015 3.888,1016 7.429,1017 3.884,1018 3.78,1019 3.832,1020 3.681,1021 3.639,1022 6.448,1023 3.627,1024 3.751,1025 3.807,1026 3.589,1027 3.614,1028 4.972,1029 3.614,1030 3.538,1031 3.612,1032 3.359,1033 3.4,1034 4.743,1035 3.378,1036 3.347,1037 3.412,1038 3.212,1039 3.135,1040 4.216,1041 3.138,1042 3.21,1043 3.296,1044 3.001,1045 3.009,1046 4.049,1047 3.003,1048 2.958,1049 3.072,1050 2.738,1051 2.751,1052 3.956,1053 2.731,1054 2.874,1055 3.009,1056 2.687,1057 2.735,1058 3.863,1059 2.715,1060 0.19,1061 0.168,1062 0.312,1063 0.187,1064 0.145,1065 4.381,1066 0.159,1067 3.861,1068 0.085,1069 7.17,1070 0.511,1071 4.306,1072 0.14,1073 3.341,1074 3.66,1075 1.953,1076 11.764,1077 3.214,1078 1.938,1079 1.907,1080 2.085,1081 2.041,1082 1.41,1083 2.054,1084 1.778,1085 1.718,1086 2.009,1087 1.948,1088 1.246,1089 1.969,1090 1.724,1091 1.679,1092 1.931,1093 1.905,1094 1.137,1095 1.92,1096 1.565,1097 1.495,1098 1.844,1099 1.746,1100 1.056,1101 1.784,1102 1.31,1103 1.239,1104 1.617,1105 1.559,1106 0.838,1107 1.57,1108 1.203,1109 1.129,1110 1.486,1111 1.46,1112 0.57,1113 1.491,1114 0.962,1115 0.869,1116 1.417,1117 1.251,1118 0.49,1119 1.308,1120 0.934,1121 0.821,1122 1.337,1123 1.239,1124 0.469,1125 1.273,1126 3.85,1128 5.118,1130 6.561,1132 8.085,1134 9.655,1135 5.288,1138 5.726,1139 9.767,1140 8.826,1141 2.742,1143 -0.953,1145 -1.234,1148 30.374,1149 73.264,1150 166.916,1151 220.426,1152 253.71,1153 267.71,1154 271.71,1155 80.262,1156 6.107,1157 75.35,1158 75.35,1159 6,1160 11.772,1161 3,1162 2.322,1163 63.153,1164 101,1165 115,1166 0.309,1167 195.503,1168 343.02,1169 468.787,1170 3110,1172 17.295,1173 0.752,1174 0.642,1175 17.295,1176 14.769,1177 10.842,1178 0.471,1179 0.379,1180 8.663,1181 10.61,1182 8.325,1183 7.087,1184 10.842,1185 8.72,1186 9.811,1187 0.327,1188 0.228,1189 9.811,1190 6.835,1191 6.857,1192 0.214,1193 0.128,1194 6.857,1195 4.084,1196 4.553,1197 0.138,1198 0.073,1199 4.553,1200 2.405,1201 3.104,1202 0.089,1203 0.043,1204 3.104,1205 1.504,1206 0.508,1207 66.824,1208 0.266,1209 23.565,1210 0.787,1211 106,1212 249.53,1213 114.063,1214 246.145,1215 322.96,1216 226,1217 115,1218 226.554,1219 122.456,1220 232.786,1221 330.06,1222 217,1223 5.678} {0 CHEMBL572912,1 1.349,2 12.318,3 3.576,4 12.788,5 90.498,6 5.894,7 0.273,8 3.973,9 4.124,10 3.287,11 3.452,12 4.958,13 3.379,14 4.534,15 4.751,16 3.574,17 3.831,18 5.426,19 3.71,20 4.861,21 5.128,22 3.663,23 3.965,24 5.867,25 3.813,26 4.948,27 5.244,28 3.467,29 3.902,30 5.943,31 3.721,32 4.734,33 5.033,34 3.373,35 3.806,36 5.541,37 3.622,38 4.618,39 4.887,40 3.318,41 3.758,42 5.485,43 3.581,44 4.645,45 4.947,46 3.146,47 3.681,48 5.421,49 3.469,50 4.478,51 4.785,52 2.988,53 3.493,54 5.225,55 3.289,56 0.076,57 0.695,58 12.848,59 5.123,60 11.032,61 7.381,62 0.179,63 1.071,64 21.729,65 8.294,66 24.339,67 12.208,68 0.361,69 1.306,70 29.783,71 10.038,72 61.063,73 15.257,74 0.581,75 1.242,76 32.102,77 9.837,78 93.948,79 15.106,80 0.209,81 1.077,82 25.037,83 9.177,84 37.741,85 13.645,86 0.17,87 1.028,88 22.759,89 8.37,90 32.462,91 12.499,92 0.185,93 0.972,94 22.835,95 8.198,96 31.777,97 12.358,98 0.182,99 0.798,100 19.259,101 6.786,102 27.295,103 10.207,104 45,105 28,106 0.232,107 0.53,108 0.702,109 0.804,110 0.851,111 0.864,112 3.144,113 1.131,114 -4.84,115 -4.75,116 -4.46,117 34.6,118 2,119 7,123 1,125 1,130 4,131 1,132 1,142 1,146 1,147 1,148 1,151 12,154 1,156 3,158 13,159 1,161 1,162 1,163 1,164 2,165 4,166 2,167 12,170 2,172 1,173 1,174 1,176 9,179 2,183 3,185 10,186 2,188 1,191 5,193 9,194 2,196 1,199 4,200 7,201 1,203 1,205 3,206 6,207 1,209 1,213 3,214 5,215 1,216 664,217 14.507,218 14.507,219 14.507,220 14.507,221 14.507,222 13.667,223 13.332,224 8.943,225 14.576,226 10.715,227 10.715,228 10.715,229 10.715,230 10.715,231 9.398,232 15.517,233 4.15,234 10.838,235 4.351,236 2.623,237 1.626,238 1.029,239 0.76,240 0.683,241 3.785,243 1,244 1,245 1,246 526,247 4.359,251 86.649,256 2.227,257 20.294,258 1,259 1,260 0.83,261 0.83,262 1,263 1,264 1,265 1,266 0.95,267 47,268 271,269 4.437,270 4.006,271 7.243,272 4.333,273 3.35,274 3.687,275 1.953,276 12.086,277 3.288,278 4.024,279 2.821,280 5.511,281 3.637,282 2.648,283 3.5,284 0.263,285 7.448,286 2.62,287 3.492,288 2.659,289 5.176,290 3.201,291 2.223,292 2.759,294 6.491,295 2.17,296 2.864,297 2.324,298 4.489,299 2.836,300 1.837,301 1.86,303 3.855,304 1.835,305 2.819,306 1.838,307 3.84,308 2.484,309 1.475,310 1.794,312 3.63,313 1.476,314 2.5,315 1.424,316 3.434,317 2.38,318 1.371,319 1.5,321 2.725,322 1.377,323 2.445,324 1.109,325 3.414,326 2,327 1,328 1.442,330 2.275,331 1,332 1.894,333 1,334 3.117,335 1.841,336 0.841,337 0.871,339 1.55,340 0.841,341 1.423,342 0.913,343 2.879,344 1.271,345 0.379,346 0.384,347 0.544,348 0.326,349 1.375,350 0.59,351 2.653,352 1.207,353 0.241,354 0.259,355 0.416,356 0.237,357 1.078,358 0.207,359 2.269,360 0.878,361 -0.122,362 -0.141,363 -0.243,364 -0.121,365 0.656,366 -0.228,367 2,368 0.45,369 -0.556,370 -0.607,371 -1.093,372 -0.557,373 0.5,374 -0.586,375 2,376 0.117,377 -0.896,378 -1,379 -1.933,380 -0.902,381 0.34,382 -0.778,383 1.875,385 -1,386 -1.051,387 -2.556,388 -0.946,390 -0.928,391 1.561,392 -0.049,393 -1,394 -1.403,395 -3,396 -1,397 10.467,398 0.476,399 0.508,400 0.023,401 20.25,402 0.92,403 8,404 0.364,405 12.25,406 0.557,407 22.279,408 1.013,409 26.733,410 0.514,411 13.479,412 0.613,413 3.386,414 0.154,415 7.106,416 0.323,417 0.197,418 0.048,419 0.143,420 0.925,421 1.334,422 1.115,423 1.256,424 0.869,425 1.207,426 0.655,427 1.351,428 1.013,429 1.26,430 0.658,431 1.194,432 0.757,433 1.16,434 1.003,435 1.157,436 0.734,437 1.111,438 1.394,439 0.779,440 1.071,441 0.809,442 1.38,443 0.889,444 0.725,445 0.925,446 0.823,447 0.924,448 0.766,449 0.896,450 0.73,451 1.175,452 1.046,453 1.187,454 0.729,455 1.157,456 0.679,457 1.039,458 0.957,459 1.073,460 0.625,461 1.05,462 0.846,463 0.915,464 0.895,465 0.927,466 0.856,467 0.923,468 5,469 0.087,470 2.444,471 0.75,472 0.862,473 0.486,474 0.285,475 0.267,476 0.152,477 0.106,478 5036,479 10354,480 1.863,481 57.7,482 17,483 6,486 4,488 3,490 1.635,491 1.725,492 3.554,493 1.78,495 1,497 70.157,498 1.349,499 3.078,500 4.075,501 4.671,502 4.941,503 5.018,504 3.084,505 3.482,506 4.421,507 3.743,508 864.628,509 7.552,510 10399.3,511 1,512 1,513 296.423,514 1.529,515 4.363,516 0.227,517 0.008,518 0.087,519 0.027,520 0.039,521 0.022,522 0.014,523 0.017,524 0.011,525 0.008,526 0.46,528 1,529 2.555,530 105.686,531 -0.092,532 0.062,533 -0.021,534 0.053,535 -0.106,536 0.03,537 0.088,538 -0.158,539 0.003,540 -0.085,541 0.035,542 -0.061,543 0.163,544 -0.09,546 -0.135,547 0.175,548 -0.095,549 -0.002,550 0.15,551 -0.05,552 0.096,553 0.024,554 0.029,555 0.021,556 0.027,557 0.115,558 0.081,559 0.044,560 0.104,561 -0.022,562 -0.119,563 -0.081,564 -0.126,565 -0.004,566 -0.111,567 0.005,568 -0.077,569 -0.025,570 -0.081,571 -0.004,572 -0.058,573 -0.019,574 0.008,575 0.044,576 0.039,577 -0.039,578 0.047,579 2.503,580 4.851,581 0.273,582 24.744,583 0.985,584 1.139,585 3.611,586 13.037,587 0.607,588 3.135,589 3.367,590 3.466,591 3.434,592 3.584,593 3.526,594 3.555,595 3.638,596 3.555,597 3.296,598 7.085,599 0.555,600 306.5,601 3.135,602 4.615,603 5.389,604 6.205,605 7.006,606 7.828,607 8.642,608 9.47,609 10.292,610 11.124,611 3.8,612 1,617 1,623 4,628 2,630 6,638 52,639 7,640 1,641 22,642 52,643 18,644 6,645 2,646 4,648 1,649 1,652 3,657 7,659 7,660 11,661 1,662 1,664 1,667 1,668 1,669 1,670 30,671 4,672 4,673 4,677 2,681 1,682 2,683 1,693 1,700 1,704 1,708 1,710 1,712 2,715 22,716 1,717 1,718 8,719 1,723 1,731 3.8,732 1,734 1,737 12.75,738 9.283,739 5.208,740 3.468,741 1.207,742 1.2,743 0.875,744 8.324,745 7.23,746 3.296,747 3.701,748 4.047,749 4.342,750 4.805,751 4.78,752 4.988,753 5.183,754 5.056,755 4.732,756 1,757 28,758 8.198,759 3.289,760 7.761,761 15.911,762 12.509,763 2.261,764 49.75,765 0.001,767 1,768 306.049,769 83.944,770 50.908,772 67.828,774 83.944,775 373.877,776 50.908,777 17.65,778 68.65,779 80.588,780 29.85,781 5.942,783 306.049,785 306.049,786 134.852,787 67.828,790 270.735,791 60.458,792 42.683,793 86.3,794 48.552,797 306.049,798 118.736,799 83.944,801 306.049,802 28.389,803 55.555,804 18.011,805 100.725,806 306.049,807 118.736,808 83.944,810 0.558,811 0.309,812 0.126,813 0.065,814 9,815 5,816 0.192,817 10,819 1,820 3.478,821 142.096,823 6,824 92.107,826 18.827,827 9.727,828 7.07,830 118.736,831 7.846,836 1.993,838 93.591,839 508.729,840 26,842 11.851,845 -0.376,846 51.229,847 59.228,848 0.237,849 0.54,850 0.715,851 0.819,852 0.867,853 0.88,854 4.494,855 0.841,856 5.38,857 2.275,858 4.043,859 4.382,860 2.027,861 6.146,862 4.018,863 5.65,864 0.379,865 6.936,866 1.55,867 3.761,868 4.159,869 1.593,870 7.445,871 3.716,872 6.936,873 0.241,874 8.628,875 0.544,876 5.666,877 6.375,878 3.019,879 10.356,880 5.607,881 8.265,882 -0.122,883 10.408,884 0.416,885 6.256,886 6.932,887 3.114,888 12.493,889 6.17,890 9.633,891 -0.556,892 12.247,893 -0.243,894 7.676,895 8.686,896 4.198,897 15.078,898 7.578,899 11.027,900 -0.896,901 14.127,902 -1.093,903 8.631,904 9.566,905 4.555,906 17.463,907 8.507,908 12.44,909 -1,910 16.036,911 -1.933,912 9.894,913 11.129,914 5.456,915 19.978,916 9.756,917 3.35,918 -1,919 17.964,920 -2.556,921 10.996,922 12.165,923 5.952,924 22.437,925 10.836,926 2.648,927 12.086,928 19.906,929 -3,930 12.212,931 13.63,932 6.751,933 24.935,934 12.034,935 2.223,936 7.448,937 21.858,938 3.687,939 13.374,940 14.755,941 7.324,942 27.416,943 13.175,944 1.837,945 6.491,946 23.818,947 3.5,948 14.577,949 16.161,950 8.066,951 29.909,952 14.36,953 1.475,954 3.855,955 25.783,956 2.759,957 15.764,958 17.34,959 8.682,960 32.398,961 15.527,962 1.371,963 3.63,964 27.752,965 1.86,966 16.966,967 18.709,968 9.392,969 34.89,970 16.711,971 1,972 2.725,973 29.724,974 1.794,975 18.164,976 19.925,977 10.031,978 37.381,979 17.889,980 5389,981 7930,982 13.693,983 31.58,984 30.909,985 32.074,986 32.602,987 30.655,988 30.732,989 36.109,990 4.432,991 82.039,992 30.341,993 5.356,994 6.006,995 7.207,996 5.333,997 5.35,998 6.687,999 3.416,1000 19.078,1001 5.288,1002 13.585,1003 1.405,1004 1.458,1005 1.482,1006 1.393,1007 1.397,1008 1.641,1009 0.201,1010 3.729,1011 1.379,1012 3.965,1013 4.002,1014 3.895,1015 3.888,1016 7.428,1017 3.884,1018 3.767,1019 3.827,1020 3.66,1021 3.639,1022 6.456,1023 3.621,1024 3.734,1025 3.784,1026 3.585,1027 3.57,1028 4.981,1029 3.582,1030 3.531,1031 3.606,1032 3.346,1033 3.395,1034 4.743,1035 3.373,1036 3.269,1037 3.351,1038 3.096,1039 3.099,1040 4.216,1041 3.081,1042 3.095,1043 3.164,1044 2.922,1045 2.837,1046 4.049,1047 2.843,1048 2.963,1049 3.053,1050 2.709,1051 2.735,1052 3.88,1053 2.715,1054 2.861,1055 2.956,1056 2.687,1057 2.641,1058 3.732,1059 2.644,1060 0.202,1061 0.182,1062 0.329,1063 0.197,1064 0.152,1065 4.437,1066 0.168,1067 4.006,1068 0.089,1069 7.243,1070 0.549,1071 4.333,1072 0.149,1073 3.35,1074 3.687,1075 1.953,1076 12.086,1077 3.288,1078 1.938,1079 1.907,1080 2.085,1081 2.041,1082 1.41,1083 2.054,1084 1.777,1085 1.716,1086 2.009,1087 1.942,1088 1.246,1089 1.967,1090 1.685,1091 1.639,1092 1.887,1093 1.885,1094 1.084,1095 1.891,1096 1.56,1097 1.49,1098 1.836,1099 1.74,1100 1.039,1101 1.778,1102 1.285,1103 1.205,1104 1.611,1105 1.503,1106 0.835,1107 1.542,1108 1.03,1109 0.955,1110 1.365,1111 1.333,1112 0.558,1113 1.323,1114 0.928,1115 0.83,1116 1.347,1117 1.285,1118 0.439,1119 1.313,1120 0.886,1121 0.821,1122 1.186,1123 1.155,1124 0.299,1125 1.192,1126 3.807,1128 5.056,1130 6.497,1132 8.021,1134 9.59,1135 3.739,1138 5.691,1139 9.075,1140 8.456,1141 2.727,1145 -1.253,1148 28.848,1149 70.157,1150 160.051,1151 211.894,1152 242.913,1153 256.913,1154 260.913,1155 69.783,1156 6.023,1157 75.35,1158 75.35,1159 6,1160 11.698,1161 3,1162 2.322,1163 58.702,1164 95,1165 104,1166 0.311,1167 185.911,1168 325.72,1169 445.382,1170 2774,1172 16.424,1173 0.747,1174 0.632,1175 16.424,1176 13.899,1177 10.492,1178 0.477,1179 0.377,1180 8.233,1181 10.254,1182 7.951,1183 6.761,1184 10.492,1185 8.295,1186 8.922,1187 0.319,1188 0.223,1189 8.922,1190 6.244,1191 6.864,1192 0.221,1193 0.125,1194 6.864,1195 3.878,1196 4.137,1197 0.138,1198 0.074,1199 4.137,1200 2.21,1201 3.128,1202 0.089,1203 0.043,1204 3.128,1205 1.504,1206 0.51,1207 64.892,1208 0.27,1209 22.687,1210 0.791,1211 100,1212 243.53,1213 107.067,1214 238.488,1215 312.22,1216 220,1217 109,1218 214.25,1219 116.456,1220 221.412,1221 315,1222 206,1223 5} {0 CHEMBL572954,1 1.335,2 13.25,3 3.72,4 13.835,5 98.037,6 5.938,7 0.24,8 4.061,9 4.207,10 3.404,11 3.558,12 4.973,13 3.487,14 4.657,15 4.871,16 3.684,17 3.958,18 5.495,19 3.835,20 4.983,21 5.259,22 3.692,23 4.062,24 5.824,25 3.893,26 4.953,27 5.242,28 3.574,29 3.959,30 5.881,31 3.782,32 4.827,33 5.125,34 3.404,35 3.868,36 5.622,37 3.685,38 4.703,39 4.983,40 3.384,41 3.822,42 5.49,43 3.642,44 4.677,45 4.966,46 3.373,47 3.788,48 5.451,49 3.613,50 4.614,51 4.893,52 3.269,53 3.736,54 5.396,55 3.55,56 0.076,57 0.767,58 13.974,59 5.634,60 8.351,61 8.107,62 0.209,63 1.225,64 24.684,65 9.29,66 19.703,67 13.719,68 0.414,69 1.441,70 33.238,71 11.67,72 44.515,73 17.353,74 0.485,75 1.334,76 32.204,77 10.529,78 69.543,79 16.026,80 0.292,81 1.192,82 27.96,83 9.553,84 40.84,85 14.439,86 0.187,87 1.094,88 24.564,89 9.326,90 30.385,91 13.66,92 0.186,93 1.074,94 23.904,95 8.778,96 28.28,97 13.108,98 0.171,99 1.014,100 22.536,101 8.401,102 25.33,103 12.452,104 17,105 31,106 0.225,107 0.51,108 0.714,109 0.814,110 0.869,111 0.881,112 3.226,113 1.137,114 -4.64,115 -4.56,116 -4.29,117 35.7,118 1,119 8,123 2,124 2,130 4,131 2,142 1,151 14,154 1,156 3,158 15,163 1,164 2,165 2,167 13,170 2,172 1,173 1,174 3,176 10,179 2,183 2,185 9,188 2,191 4,193 9,196 1,199 5,200 9,203 1,205 4,206 8,209 1,213 3,214 6,216 922,217 16.389,218 16.389,219 16.389,220 16.389,221 16.389,222 15.535,223 16.585,224 10.329,225 16.513,226 12.31,227 12.31,228 12.31,229 12.31,230 12.31,231 10.953,232 18.297,233 4.9,234 12.502,235 4.472,236 2.781,237 1.572,238 0.978,239 0.656,240 0.585,241 3.893,244 1,245 1,246 652,247 3.742,250 82.729,251 92.142,256 2.5,257 20.826,258 1,259 1,260 0.83,261 0.83,262 1,263 1,264 1,265 1,266 0.95,267 51,268 318,269 4.09,270 3.767,271 6.393,272 3.945,273 2.971,274 3.638,275 1.957,276 9.645,277 2.887,278 4.02,279 2.859,280 5.494,281 3.652,282 2.655,283 3.199,284 0.589,285 7.394,286 2.648,287 3.499,288 2.746,289 5.144,290 3.234,291 2.245,292 2.769,293 0.42,294 6.404,295 2.22,296 3.193,297 2.504,298 4.873,299 2.953,300 1.961,301 2.229,303 5.258,304 1.928,305 2.849,306 1.841,307 3.843,308 2.831,309 1.831,310 1.852,312 3.651,313 1.831,314 2.5,315 1.617,316 3.75,317 2.421,318 1.421,319 1.5,321 2.786,322 1.421,323 2.452,324 1.445,325 3.439,326 2.053,327 1.145,328 1.451,330 2.676,331 1.035,332 2.151,333 1.233,334 3.414,335 2,336 1,337 1.148,339 2.275,340 1,341 2.011,342 1.191,343 3.394,344 1.935,345 0.967,346 0.996,347 2.233,348 0.934,349 1.884,350 1,351 3.029,352 1.821,353 0.829,354 0.856,355 1.581,356 0.821,357 1.717,358 0.843,359 2.815,360 1.46,361 0.455,362 0.525,363 0.996,364 0.453,365 1.264,366 0.364,367 2.319,368 1.157,369 0.158,370 0.168,371 0.284,372 0.157,373 0.895,374 0.048,375 2.117,376 0.684,377 -0.315,378 -0.352,379 -0.611,380 -0.313,381 0.5,382 -0.117,383 2,384 0.305,385 -0.656,386 -0.671,387 -1.333,388 -0.59,389 0.46,390 -0.408,391 1.615,392 0.248,393 -0.712,394 -0.796,395 -1.461,396 -0.709,397 11.467,398 0.478,399 0.383,400 0.016,401 21.5,402 0.896,403 7.5,404 0.313,405 14,406 0.583,407 24.453,408 1.019,409 28.733,410 0.513,411 13.546,412 0.564,413 3.6,414 0.15,415 8.103,416 0.338,417 0.102,419 0.218,420 0.883,421 1.375,422 1.076,423 1.254,424 0.756,425 1.191,426 0.76,427 1.317,428 1.112,429 1.272,430 0.66,431 1.232,432 0.882,433 1.032,434 0.986,435 1.054,436 0.959,437 1.038,438 1.06,439 0.986,440 0.988,441 0.956,442 1.143,443 0.963,444 1.104,445 0.85,446 0.988,447 0.873,448 1.116,449 0.906,450 0.781,451 1.051,452 0.931,453 1.056,454 0.853,455 1.023,456 0.715,457 0.983,458 0.889,459 0.977,460 0.684,461 0.953,462 0.754,463 1.089,464 1.018,465 1.12,466 0.669,467 1.1,468 3.5,469 0.074,470 2.222,471 0.875,472 0.712,473 0.427,474 0.29,475 0.212,476 0.148,477 0.128,478 7322,479 13708,480 1.996,481 57.1,482 17,483 10,486 3,489 2,490 1.659,491 1.895,492 3.657,493 0.915,495 1,497 74.773,498 1.335,499 3.026,500 4.235,501 4.83,502 5.151,503 5.222,504 3.126,505 4.22,506 4.548,507 3.876,508 1069.74,509 7.801,510 13987.5,511 1,512 1,513 325.212,514 1.236,515 4.528,516 0.14,517 0.006,518 0.072,519 0.03,520 0.028,521 0.019,522 0.013,523 0.01,524 0.008,525 0.009,526 0.335,527 0.17,528 1,529 1.903,530 119.565,531 -0.06,532 -0.007,533 0.012,534 0.033,535 -0.056,536 0.03,537 0.044,538 -0.117,539 -0.082,540 -0.131,541 0.012,542 -0.123,543 0.126,544 -0.029,545 0.006,546 -0.057,547 0.034,548 -0.045,549 0.125,550 -0.028,551 0.013,552 -0.011,553 0.112,554 -0.012,555 -0.095,556 0.115,557 -0.007,558 0.079,559 -0.05,560 0.053,561 0.004,562 -0.068,563 0.025,564 -0.022,565 0.019,566 -0.002,567 0.011,568 0.013,569 0.065,570 0.031,571 0.029,572 0.052,573 -0.019,574 -0.073,575 -0.058,576 -0.091,577 -0.007,578 -0.079,579 1.898,580 5.012,581 0.458,582 28.785,583 0.984,584 1.136,585 3.411,586 11.632,587 0.613,588 3.258,589 3.466,590 3.638,591 3.761,592 3.784,593 3.738,594 3.761,595 3.807,596 3.871,597 3.892,598 7.742,599 0.56,600 332.54,601 3.258,602 4.727,603 5.517,604 6.33,605 7.138,606 7.959,607 8.777,608 9.603,609 10.426,610 11.256,611 3.6,613 1,617 1,623 4,628 2,630 6,638 56,639 7,640 1,641 25,642 57,643 20,644 6,645 2,646 4,648 2,649 2,652 1,655 3,657 10,659 7,660 13,662 1,664 1,667 1,669 1,670 32,671 4,672 3,673 4,677 2,681 1,682 2,684 1,689 1,692 1,693 1,700 1,705 1,708 1,710 2,712 1,715 24,717 1,718 10,719 2,721 2,731 3.6,732 1,734 1,737 12.667,738 9.617,739 5.639,740 3.921,741 1.166,742 1.18,743 0.899,744 8.443,745 7.651,746 3.401,747 3.773,748 4.131,749 4.476,750 4.845,751 4.793,752 4.893,753 5.098,754 5.281,755 5.289,756 0.889,757 29,758 8.986,759 3.68,760 7.611,761 17.807,762 14.544,763 2.111,764 50.667,765 0.001,766 1,767 1,768 341.362,769 82.294,770 36.022,772 67.828,774 82.294,775 409.19,776 36.022,777 8.825,778 42.498,779 98.599,780 29.85,781 6.371,783 341.362,785 341.362,786 118.315,787 67.828,790 317.82,791 48.687,792 42.683,793 69.334,794 48.981,797 341.362,798 103.85,799 82.294,801 341.362,802 35.563,803 46.73,804 36.022,805 67.828,806 341.362,807 103.85,808 82.294,810 0.55,811 0.308,812 0.153,813 0.072,814 11,815 5,816 0.175,817 10,819 1,820 3.851,821 165.261,823 11,824 106.039,826 19.109,827 10.604,828 6.671,830 103.85,831 8.503,836 2.469,838 78.705,839 527.505,840 29,842 12.012,845 -0.115,846 55.112,847 63.643,848 0.23,849 0.521,850 0.729,851 0.832,852 0.887,853 0.899,854 4.59,855 1,856 5.434,857 2.676,858 4.143,859 4.454,860 2.135,861 6.116,862 4.111,863 5.681,864 0.967,865 6.913,866 2.275,867 3.434,868 3.951,869 1.593,870 6.804,871 3.39,872 6.909,873 0.829,874 8.498,875 2.233,876 5.602,877 6.337,878 3.045,879 9.862,880 5.537,881 8.173,882 0.455,883 10.151,884 1.581,885 5.802,886 6.691,887 3.114,888 11.47,889 5.715,890 9.475,891 0.158,892 11.85,893 0.996,894 7.347,895 8.54,896 4.214,897 14.002,898 7.242,899 10.8,900 -0.315,901 13.582,902 0.284,903 7.987,904 9.268,905 4.563,906 15.98,907 7.851,908 12.143,909 -0.656,910 15.338,911 -0.611,912 9.262,913 10.896,914 5.473,915 18.339,916 9.109,917 2.971,918 -0.712,919 17.112,920 -1.333,921 10.121,922 11.815,923 5.966,924 20.475,925 9.934,926 2.655,927 9.645,928 18.901,929 -1.461,930 11.278,931 13.328,932 6.771,933 22.773,934 11.071,935 2.245,936 7.394,937 20.7,938 3.638,939 12.247,940 14.362,941 7.343,942 24.979,943 12.005,944 1.961,945 6.404,946 22.509,947 3.199,948 13.353,949 15.804,950 8.089,951 27.255,952 13.088,953 1.831,954 5.258,955 24.326,956 2.769,957 14.376,958 16.915,959 8.704,960 29.493,961 14.077,962 1.421,963 3.651,964 26.148,965 2.229,966 15.462,967 18.31,968 9.418,969 31.761,970 15.137,971 1.145,972 2.786,973 27.976,974 1.852,975 16.511,976 19.473,977 10.058,978 34.014,979 16.154,980 7384,981 10332,982 16.583,983 34.341,984 35.416,985 36.197,986 36.612,987 35.31,988 35.277,989 40.66,990 5.931,991 90.367,992 34.669,993 5.051,994 5.767,995 6.357,996 4.976,997 4.971,998 6.638,999 3.426,1000 16.159,1001 4.887,1002 11.371,1003 1.417,1004 1.448,1005 1.464,1006 1.412,1007 1.411,1008 1.626,1009 0.237,1010 3.615,1011 1.387,1012 3.976,1013 4.014,1014 3.898,1015 3.905,1016 7.428,1017 3.898,1018 3.857,1019 3.906,1020 3.763,1021 3.688,1022 6.449,1023 3.699,1024 3.758,1025 3.822,1026 3.592,1027 3.642,1028 4.733,1029 3.621,1030 3.555,1031 3.628,1032 3.385,1033 3.417,1034 4.29,1035 3.396,1036 3.408,1037 3.478,1038 3.27,1039 3.203,1040 4.215,1041 3.206,1042 3.225,1043 3.304,1044 3.037,1045 3.039,1046 4.068,1047 3.033,1048 3.008,1049 3.079,1050 2.808,1051 2.836,1052 3.95,1053 2.819,1054 2.892,1055 2.967,1056 2.701,1057 2.735,1058 3.682,1059 2.715,1060 0.164,1061 0.151,1062 0.256,1063 0.158,1064 0.119,1065 4.09,1066 0.146,1067 3.767,1068 0.078,1069 6.393,1070 0.386,1071 3.945,1072 0.115,1073 2.971,1074 3.638,1075 1.957,1076 9.645,1077 2.887,1078 1.951,1079 1.922,1080 2.094,1081 2.042,1082 1.411,1083 2.06,1084 1.778,1085 1.717,1086 2.018,1087 1.935,1088 1.259,1089 1.967,1090 1.625,1091 1.583,1092 1.863,1093 1.84,1094 1.166,1095 1.833,1096 1.568,1097 1.503,1098 1.813,1099 1.748,1100 1.11,1101 1.779,1102 1.489,1103 1.414,1104 1.717,1105 1.728,1106 0.942,1107 1.743,1108 1.319,1109 1.243,1110 1.624,1111 1.537,1112 0.879,1113 1.568,1114 1.146,1115 1.057,1116 1.462,1117 1.414,1118 0.667,1119 1.436,1120 0.904,1121 0.821,1122 1.299,1123 1.178,1124 0.49,1125 1.223,1126 3.932,1128 5.165,1129 2.398,1130 6.575,1131 4.595,1132 8.071,1133 6.555,1134 9.615,1135 2.246,1139 9.72,1140 10.926,1141 5.932,1143 -1.026,1148 31.374,1149 74.773,1150 169.464,1151 237.154,1152 270.457,1153 288.457,1154 292.457,1155 58.725,1156 6.485,1157 61.36,1158 61.36,1159 11,1160 11.831,1161 3,1162 2.322,1163 49.045,1164 111,1165 126,1166 0.212,1167 197.702,1168 347.96,1169 474.153,1170 5532,1172 17.2,1173 0.717,1174 0.62,1175 17.2,1176 14.891,1177 11.703,1178 0.468,1179 0.379,1180 9.401,1181 11.435,1182 9.19,1183 7.705,1184 11.703,1185 9.474,1186 9.57,1187 0.309,1188 0.221,1189 9.57,1190 6.84,1191 7.621,1192 0.206,1193 0.129,1194 7.621,1195 4.78,1196 5.754,1197 0.137,1198 0.076,1199 5.754,1200 3.189,1201 3.917,1202 0.091,1203 0.045,1204 3.917,1205 1.923,1206 0.352,1207 72.279,1208 0.246,1209 24.617,1210 0.533,1211 112,1212 260.551,1213 119.76,1214 252.349,1215 335.34,1216 236,1217 124,1218 231.008,1219 131.955,1220 234.624,1221 339.06,1222 222,1223 6.367} {0 CHEMBL572955,1 1.32,2 13.96,3 4.041,4 16.327,5 102.792,6 5.874,7 0.231,8 4.11,9 4.257,10 3.442,11 3.607,12 5.008,13 3.533,14 4.709,15 4.926,16 3.717,17 4.007,18 5.532,19 3.88,20 5.039,21 5.32,22 3.722,23 4.116,24 5.859,25 3.941,26 5.002,27 5.289,28 3.613,29 4.024,30 5.908,31 3.839,32 4.903,33 5.2,34 3.423,35 3.93,36 5.673,37 3.737,38 4.781,39 5.076,40 3.391,41 3.878,42 5.495,43 3.683,44 4.743,45 5.032,46 3.385,47 3.838,48 5.511,49 3.651,50 4.677,51 4.966,52 3.373,53 3.788,54 5.452,55 3.613,56 0.08,57 0.805,58 14.771,59 5.979,60 8.578,61 8.606,62 0.217,63 1.288,64 26.022,65 9.859,66 19.924,67 14.547,68 0.434,69 1.518,70 34.958,71 12.343,72 45.183,73 18.346,74 0.477,75 1.408,76 33.576,77 11.381,78 68.32,79 17.144,80 0.321,81 1.281,82 30.007,83 10.195,84 42.348,85 15.47,86 0.196,87 1.174,88 26.222,89 9.893,90 26.814,91 14.662,92 0.195,93 1.119,94 25.314,95 9.575,96 31.186,97 14.065,98 0.185,99 1.074,100 23.831,101 8.763,102 28.097,103 13.081,104 17,105 32,106 0.22,107 0.494,108 0.698,109 0.809,110 0.86,111 0.882,112 3.265,113 1.151,114 -4.86,115 -4.77,116 -4.48,117 35.6,118 1,119 9,123 2,124 2,130 4,131 2,142 1,151 15,154 1,156 3,158 17,163 1,164 2,165 1,167 15,170 2,172 1,173 1,174 3,176 11,179 1,183 3,185 10,188 2,191 3,193 10,196 2,199 4,200 9,203 1,205 5,206 9,209 1,213 4,214 8,216 1066,217 17.096,218 17.096,219 17.096,220 17.096,221 17.096,222 16.242,223 16.585,224 10.815,225 17.228,226 12.81,227 12.81,228 12.81,229 12.81,230 12.81,231 11.453,232 14.794,233 5.127,234 13.01,235 4.563,236 2.916,237 1.696,238 1.03,239 0.725,240 0.589,241 3.933,244 1,245 1,246 715,247 3.873,250 87.798,251 97.9,256 2.685,257 21.318,259 1,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.86,267 53,268 349,269 4.075,270 3.765,271 6.392,272 3.942,273 2.968,274 3.637,275 1.956,276 9.642,277 2.884,278 4.035,279 2.847,280 5.492,281 3.658,282 2.658,283 3.199,284 0.465,285 7.39,286 2.657,287 3.5,288 2.752,289 5.132,290 3.235,291 2.24,292 2.775,293 0.132,294 6.384,295 2.23,296 3.217,297 2.506,298 4.898,299 2.998,300 2.016,301 2.249,303 5.331,304 1.964,305 2.85,306 1.842,307 3.843,308 2.835,309 1.835,310 1.852,312 3.652,313 1.835,314 2.5,315 1.619,316 3.792,317 2.428,318 1.428,319 1.5,321 2.928,322 1.427,323 2.459,324 1.538,325 3.454,326 2.169,327 1.213,328 1.458,330 2.727,331 1.157,332 2.277,333 1.405,334 3.414,335 2.046,336 1.121,337 1.261,339 2.409,340 1.031,341 2.139,342 1.209,343 3.407,344 2,345 1,346 1.132,347 2.275,348 1,349 1.899,350 1,351 3.213,352 1.846,353 0.849,354 0.875,355 1.743,356 0.846,357 1.841,358 0.897,359 2.879,360 1.68,361 0.679,362 0.741,363 1.46,364 0.674,365 1.366,366 0.532,367 2.512,368 1.232,369 0.233,370 0.249,371 0.43,372 0.232,373 1.067,374 0.19,375 2.236,376 0.903,377 -0.094,378 -0.105,379 -0.19,380 -0.093,381 0.719,382 -0.03,383 2,384 0.529,385 -0.469,386 -0.502,387 -0.925,388 -0.463,389 0.5,390 -0.25,391 1.823,392 0.248,393 -0.67,394 -0.702,395 -1.44,396 -0.606,397 11.967,398 0.479,399 0.383,400 0.015,401 22,402 0.88,403 7.5,404 0.3,405 14.5,406 0.58,407 26.206,408 1.048,409 30.033,410 0.509,411 13.703,412 0.548,413 3.624,414 0.145,415 8.579,416 0.343,417 0.097,419 0.209,420 0.885,421 1.381,422 1.091,423 1.266,424 0.756,425 1.205,426 0.76,427 1.326,428 1.126,429 1.284,430 0.659,431 1.244,432 0.906,433 0.984,434 0.992,435 1.021,436 0.965,437 1.018,438 1.01,439 1.028,440 0.994,441 1.003,442 1.138,443 1.001,444 1.205,445 0.894,446 1.05,447 0.9,448 1.264,449 0.947,450 0.669,451 0.983,452 0.919,453 1.011,454 0.589,455 0.993,456 0.781,457 1.013,458 0.899,459 1.012,460 0.855,461 0.981,462 0.746,463 0.989,464 0.896,465 0.978,466 0.715,467 0.954,468 3.5,469 0.104,470 2.222,471 1,472 0.632,473 0.372,474 0.299,475 0.218,476 0.161,477 0.116,478 8421,479 15575,480 1.996,481 57.6,482 17,483 10,486 3,488 2,489 2,490 1.669,491 1.899,492 3.729,493 0.887,495 1,497 77.864,498 1.32,499 2.967,500 4.187,501 4.853,502 5.158,503 5.294,504 3.273,505 4.294,506 4.608,507 3.959,508 1187.73,509 7.917,510 16293.6,511 1,512 1,513 347.076,514 1.21,515 4.589,516 0.135,517 0.007,518 0.069,519 0.033,520 0.024,521 0.017,522 0.014,523 0.01,524 0.007,525 0.006,526 0.323,527 0.17,528 0.88,529 1.853,530 126.987,531 -0.057,532 -0.007,533 0.012,534 0.031,535 -0.052,536 0.028,537 0.045,538 -0.124,539 -0.088,540 -0.137,541 0.013,542 -0.129,543 0.113,544 0.021,545 0.003,546 -0.029,547 0.027,548 -0.027,549 0.139,550 -0.065,551 0.003,552 -0.039,553 0.11,554 -0.034,555 -0.129,556 0.073,557 -0.061,558 0.048,559 -0.112,560 0.008,561 0.009,562 0.002,563 0.026,564 -0.001,565 0.042,566 0.014,567 0.014,568 -0.045,569 0.055,570 0.006,571 0.027,572 0.029,573 0.01,574 0.013,575 0.065,576 0.031,577 0.03,578 0.053,579 1.888,580 4.979,581 0.44,582 31.517,583 0.983,584 1.137,585 3.634,586 13.203,587 0.612,588 3.296,589 3.497,590 3.664,591 3.784,592 3.784,593 3.738,594 3.738,595 3.761,596 3.829,597 3.871,598 8.187,599 0.558,600 346.57,601 3.296,602 4.762,603 5.549,604 6.358,605 7.162,606 7.979,607 8.791,608 9.614,609 10.432,610 11.258,611 3.4,613 1,617 1,623 4,628 2,630 6,638 59,639 7,640 1,641 26,642 60,643 21,644 6,645 2,646 4,648 2,649 2,652 1,655 3,657 11,659 7,660 14,662 1,664 1,667 1,669 1,670 34,671 4,672 3,673 4,677 2,681 1,682 2,684 1,689 1,692 1,693 1,700 1,705 1,708 1,710 2,712 1,715 25,717 1,718 11,719 2,721 2,731 3.4,732 1,734 1,737 13.167,738 10.117,739 5.889,740 4.171,741 1.154,742 1.176,743 0.899,744 9.168,745 7.702,746 3.434,747 3.795,748 4.147,749 4.487,750 4.821,751 4.759,752 4.823,753 4.921,754 5.132,755 5.3,756 1,757 30,758 9.364,759 3.821,760 7.587,761 18.624,762 15.211,763 2.087,764 52.167,766 1,767 1,768 364.904,769 84.828,770 36.022,772 67.828,774 84.828,775 432.732,776 36.022,777 8.825,778 45.033,779 98.599,780 29.85,781 6.371,783 364.904,785 364.904,786 120.85,787 67.828,790 317.82,791 72.229,792 42.683,793 71.869,794 48.981,797 364.904,798 103.85,799 84.828,801 364.904,802 38.098,803 46.73,804 36.022,805 67.828,806 364.904,807 103.85,808 84.828,810 0.548,811 0.307,812 0.154,813 0.07,814 11,815 5,816 0.183,817 11,819 1,820 3.977,821 172.863,823 11,824 112.096,826 20.096,827 11.405,828 7.271,830 103.85,831 8.763,836 2.647,838 78.705,839 553.582,840 30,842 11.979,845 -0.093,846 57.996,847 67.059,848 0.224,849 0.504,850 0.712,851 0.825,852 0.877,853 0.9,854 4.62,855 1.121,856 5.46,857 2.727,858 4.174,859 4.477,860 2.068,861 6.133,862 4.143,863 5.705,864 1,865 6.932,866 2.409,867 3.434,868 3.951,869 1.593,870 6.804,871 3.39,872 6.928,873 0.849,874 8.512,875 2.275,876 5.624,877 6.348,878 3.03,879 9.866,880 5.562,881 8.187,882 0.679,883 10.161,884 1.743,885 5.802,886 6.691,887 3.114,888 11.47,889 5.718,890 9.486,891 0.233,892 11.856,893 1.46,894 7.359,895 8.544,896 4.207,897 14.001,898 7.26,899 10.808,900 -0.094,901 13.586,902 0.43,903 7.987,904 9.268,905 4.559,906 15.979,907 7.856,908 12.149,909 -0.469,910 15.34,911 -0.19,912 9.268,913 10.896,914 5.466,915 18.336,916 9.122,917 2.968,918 -0.67,919 17.113,920 -0.925,921 10.12,922 11.814,923 5.96,924 20.473,925 9.94,926 2.658,927 9.642,928 18.901,929 -1.44,930 11.279,931 13.327,932 6.763,933 22.77,934 11.08,935 2.24,936 7.39,937 20.7,938 3.637,939 12.243,940 14.36,941 7.334,942 24.976,943 12.01,944 2.016,945 6.384,946 22.509,947 3.199,948 13.35,949 15.802,950 8.08,951 27.252,952 13.094,953 1.835,954 5.331,955 24.325,956 2.775,957 14.37,958 16.911,959 8.694,960 29.489,961 14.08,962 1.428,963 3.652,964 26.147,965 2.249,966 15.456,967 18.306,968 9.407,969 31.758,970 15.14,971 1.213,972 2.928,973 27.974,974 1.852,975 16.503,976 19.468,977 10.046,978 34.01,979 16.154,980 8467,981 11747,982 17.277,983 36.103,984 36.622,985 37.452,986 37.782,987 36.507,988 36.481,989 41.855,990 5.104,991 92.743,992 35.871,993 5.044,994 5.765,995 6.356,996 4.972,997 4.968,998 6.637,999 3.423,1000 16.144,1001 4.884,1002 11.777,1003 1.409,1004 1.44,1005 1.453,1006 1.404,1007 1.403,1008 1.61,1009 0.196,1010 3.567,1011 1.38,1012 3.977,1013 4.015,1014 3.896,1015 3.911,1016 7.428,1017 3.902,1018 3.866,1019 3.915,1020 3.775,1021 3.693,1022 6.449,1023 3.705,1024 3.76,1025 3.824,1026 3.593,1027 3.643,1028 4.73,1029 3.623,1030 3.577,1031 3.65,1032 3.417,1033 3.437,1034 4.296,1035 3.418,1036 3.473,1037 3.548,1038 3.31,1039 3.29,1040 4.214,1041 3.283,1042 3.255,1043 3.33,1044 3.089,1045 3.075,1046 4.103,1047 3.068,1048 3.114,1049 3.179,1050 2.91,1051 2.925,1052 3.993,1053 2.916,1054 2.9,1055 2.984,1056 2.703,1057 2.735,1058 3.732,1059 2.715,1060 0.157,1061 0.145,1062 0.246,1063 0.152,1064 0.114,1065 4.075,1066 0.14,1067 3.765,1068 0.075,1069 6.392,1070 0.371,1071 3.942,1072 0.111,1073 2.968,1074 3.637,1075 1.956,1076 9.642,1077 2.884,1078 1.957,1079 1.928,1080 2.1,1081 2.044,1082 1.412,1083 2.064,1084 1.781,1085 1.719,1086 2.024,1087 1.937,1088 1.279,1089 1.97,1090 1.643,1091 1.598,1092 1.878,1093 1.861,1094 1.177,1095 1.854,1096 1.577,1097 1.515,1098 1.817,1099 1.756,1100 1.153,1101 1.787,1102 1.503,1103 1.429,1104 1.756,1105 1.733,1106 0.98,1107 1.752,1108 1.391,1109 1.318,1110 1.654,1111 1.609,1112 0.914,1113 1.631,1114 1.231,1115 1.144,1116 1.564,1117 1.461,1118 0.779,1119 1.503,1120 0.956,1121 0.87,1122 1.328,1123 1.228,1124 0.541,1125 1.255,1126 3.97,1128 5.198,1129 2.398,1130 6.603,1131 4.595,1132 8.092,1133 6.555,1134 9.631,1135 2.252,1139 9.714,1140 11.953,1141 5.951,1143 -0.999,1148 32.901,1149 77.864,1150 175.042,1151 247.018,1152 286.321,1153 304.321,1154 312.321,1155 63.14,1156 6.548,1157 61.36,1158 61.36,1159 11,1160 11.836,1161 3,1162 2.322,1163 52.341,1164 122,1165 137,1166 0.203,1167 207.294,1168 365.26,1169 497.558,1170 6195,1172 17.908,1173 0.716,1174 0.624,1175 17.908,1176 15.598,1177 12.203,1178 0.469,1179 0.384,1180 9.901,1181 11.932,1182 9.683,1183 8.111,1184 12.203,1185 9.974,1186 9.923,1187 0.31,1188 0.224,1189 9.923,1190 7.163,1191 7.863,1192 0.207,1193 0.132,1194 7.863,1195 5.026,1196 5.984,1197 0.139,1198 0.079,1199 5.984,1200 3.379,1201 3.963,1202 0.092,1203 0.047,1204 3.963,1205 2.028,1206 0.34,1207 75.279,1208 0.241,1209 25.615,1210 0.505,1211 116,1212 264.551,1213 123.76,1214 256.336,1215 341.02,1216 240,1217 128,1218 235.008,1219 135.789,1220 238.302,1221 343.94,1222 226,1223 5.208} {0 CHEMBL572985,1 1.368,2 12.19,3 3.371,4 11.364,5 85.861,6 5.969,7 0.286,8 3.917,9 4.067,10 3.242,11 3.395,12 4.911,13 3.325,14 4.471,15 4.686,16 3.481,17 3.759,18 5.371,19 3.633,20 4.786,21 5.066,22 3.537,23 3.868,24 5.744,25 3.706,26 4.782,27 5.07,28 3.399,29 3.804,30 5.765,31 3.627,32 4.658,33 4.951,34 3.297,35 3.731,36 5.482,37 3.548,38 4.558,39 4.839,40 3.223,41 3.66,42 5.409,43 3.48,44 4.532,45 4.832,46 3.074,47 3.568,48 5.321,49 3.367,50 4.38,51 4.678,52 2.925,53 3.409,54 5.157,55 3.214,56 0.072,57 0.657,58 12.058,59 4.779,60 10.229,61 6.884,62 0.174,63 0.998,64 20.366,65 7.738,66 22.633,67 11.379,68 0.363,69 1.178,70 27.372,71 9.303,72 58.271,73 14.069,74 0.453,75 1.106,76 27.219,77 8.878,78 73.899,79 13.506,80 0.199,81 1,82 23.426,83 8.491,84 36.435,85 12.647,86 0.17,87 0.941,88 21.392,89 7.643,90 31.52,91 11.518,92 0.175,93 0.867,94 20.571,95 7.233,96 29.344,97 10.95,98 0.172,99 0.731,100 17.691,101 6.161,102 26.098,103 9.272,104 36,105 25,106 0.239,107 0.543,108 0.717,109 0.807,110 0.856,111 0.871,112 3.1,113 1.133,114 -4.6,115 -4.52,116 -4.26,117 34.7,118 1,119 7,123 1,124 1,130 4,131 1,132 1,142 1,146 1,147 1,148 1,151 12,154 1,156 2,158 13,162 1,163 1,164 2,165 2,166 2,167 12,170 2,172 1,173 1,174 1,176 9,179 2,183 3,185 8,186 2,188 1,191 5,193 7,194 2,196 1,199 4,200 6,201 1,203 1,205 3,206 5,207 1,209 1,213 3,214 4,215 1,216 624,217 14.19,218 14.19,219 14.19,220 14.19,221 14.19,222 13.336,223 12.369,224 9.01,225 14.26,226 10.26,227 10.26,228 10.26,229 10.26,230 10.26,231 8.919,232 13.121,233 4.204,234 10.386,235 4.247,236 2.504,237 1.506,238 0.995,239 0.709,240 0.628,241 3.744,243 1,244 1,245 1,246 497,247 4,251 82.038,256 2.2,257 18.554,258 1,259 1,260 0.83,261 0.83,262 1,263 1,264 1,265 1,266 0.95,267 45,268 256,269 4.089,270 3.72,271 5.917,272 3.776,273 2.791,274 3.653,275 1.953,276 8.188,277 2.741,278 3.852,279 2.788,280 5.457,281 3.562,282 2.564,283 3.084,284 0.263,285 7.204,286 2.555,287 3.423,288 2.381,289 5.105,290 3.132,291 2.152,292 2.668,294 6.229,295 2.106,296 2.849,297 2.118,298 3.867,299 2.832,300 1.834,301 1.852,303 3.653,304 1.831,305 2.53,306 1.838,307 3.821,308 2.425,309 1.428,310 1.5,312 2.96,313 1.423,314 2.5,315 1.424,316 3.423,317 2.24,318 1.254,319 1.482,321 2.691,322 1.219,323 2.44,324 1,325 3.414,326 2,327 1,328 1.418,330 2.275,331 1,332 1.894,333 0.983,334 2.923,335 1.84,336 0.841,337 0.871,339 1.546,340 0.84,341 1.418,342 0.907,343 2.644,344 1.259,345 0.281,346 0.299,347 0.501,348 0.27,349 1.196,350 0.577,351 2.257,352 1.031,353 0.146,354 0.15,355 0.205,356 0.129,357 1.078,358 0.198,359 2,360 0.855,361 -0.14,362 -0.162,363 -0.271,364 -0.139,365 0.654,366 -0.235,367 1.909,368 0.449,369 -0.558,370 -0.611,371 -1.093,372 -0.559,373 0.5,374 -0.586,375 1.585,376 0.116,377 -0.896,378 -1.051,379 -1.933,380 -0.902,381 0.338,382 -0.849,383 1.347,385 -1,386 -1.355,387 -2.553,388 -1,389 -0.152,390 -1,391 1.207,392 -0.262,393 -1.266,394 -1.425,395 -2.835,396 -1.23,397 9.967,398 0.475,399 0.332,400 0.016,401 19.75,402 0.94,403 8,404 0.381,405 11.75,406 0.56,407 19.69,408 0.938,409 25.433,410 0.519,411 12.645,412 0.602,413 3.424,414 0.163,415 6.744,416 0.321,417 0.157,419 0.201,420 0.925,421 1.325,422 1.099,423 1.241,424 0.849,425 1.191,426 0.681,427 1.37,428 1.078,429 1.315,430 0.684,431 1.259,432 0.734,433 1.003,434 0.931,435 1.018,436 0.718,437 1.001,438 0.971,439 0.884,440 1.005,441 0.92,442 0.968,443 0.959,444 0.745,445 0.976,446 0.866,447 0.98,448 0.793,449 0.949,450 0.723,451 1.116,452 0.99,453 1.123,454 0.716,455 1.092,456 0.711,457 1.015,458 0.937,459 1.044,460 0.641,461 1.02,462 0.888,463 0.96,464 0.941,465 0.975,466 0.9,467 0.97,468 3.5,469 0.07,470 1.778,471 0.625,472 0.702,473 0.375,474 0.263,475 0.208,476 0.127,477 0.086,478 4531,479 9725,480 1.893,481 57.1,482 17,483 7,486 4,490 1.622,491 1.775,492 3.573,493 1.827,494 1,495 1,497 67.028,498 1.368,499 3.111,500 4.109,501 4.62,502 4.905,503 4.987,504 3.106,505 4.107,506 4.353,507 3.73,508 783.351,509 7.415,510 9165.44,511 1,512 1,513 275.121,514 1.34,515 4.32,516 0.167,517 0.007,518 0.071,519 0.025,520 0.033,521 0.019,522 0.015,523 0.014,524 0.01,525 0.007,526 0.367,527 0.17,528 1,529 2.585,530 99.576,531 -0.097,532 0.065,533 -0.023,534 0.057,535 -0.093,536 0.032,537 0.063,538 -0.18,539 -0.074,540 -0.146,541 0.009,542 -0.134,543 0.152,544 0.016,545 0.048,546 -0.02,547 0.151,548 -0.005,549 0.104,550 0.083,551 -0.016,552 0.036,553 0.118,554 0.002,555 0.011,556 -0.021,557 0.073,558 0.03,559 0.03,560 0.054,561 -0.011,562 -0.099,563 -0.039,564 -0.094,565 0.008,566 -0.072,567 0.003,568 -0.057,569 -0.002,570 -0.059,571 0.003,572 -0.033,573 -0.035,574 -0.025,575 0.006,576 0.003,577 -0.054,578 0.008,579 2.201,580 4.529,581 0.286,582 23.891,583 0.987,584 1.139,585 3.373,586 11.378,587 0.609,588 3.091,589 3.258,590 3.367,591 3.401,592 3.526,593 3.466,594 3.497,595 3.526,596 3.434,597 3.219,598 6.993,599 0.558,600 292.47,601 3.091,602 4.533,603 5.293,604 6.08,605 6.864,606 7.661,607 8.456,608 9.259,609 10.062,610 10.87,611 4.1,612 1,617 1,623 4,628 2,630 6,638 49,639 7,640 1,641 21,642 49,643 17,644 6,645 2,646 4,648 1,649 1,652 2,657 8,659 7,660 10,662 1,664 1,667 1,668 1,669 1,670 28,671 4,672 4,673 4,677 2,681 1,682 2,683 1,693 1,700 1,704 1,708 1,710 1,712 1,715 21,716 1,717 1,718 8,719 1,721 1,731 4.1,732 1,734 1,737 11.833,738 8.367,739 5.111,740 3.308,741 1.217,742 1.205,743 0.886,744 8.913,745 7.152,746 3.258,747 3.624,748 3.975,749 4.329,750 4.78,751 4.742,752 4.941,753 5.084,754 4.906,755 4.67,756 1,757 25,758 7.805,759 3.084,760 7.778,761 15.176,762 11.818,763 2.278,764 47.833,765 0.001,767 1,768 282.506,769 75.119,770 50.908,772 67.828,774 75.119,775 350.335,776 50.908,777 8.825,778 68.65,779 80.588,780 29.85,781 5.942,783 282.506,785 282.506,786 126.027,787 67.828,790 282.506,791 25.145,792 42.683,793 77.475,794 48.552,797 282.506,798 118.736,799 75.119,801 282.506,802 28.389,803 46.73,804 18.011,805 100.725,806 282.506,807 118.736,808 75.119,810 0.54,811 0.3,812 0.135,813 0.069,814 7,815 4,816 0.204,817 10,819 1,820 3.46,821 130.064,823 6,824 88.239,826 17.83,827 10.498,828 7.373,830 118.736,831 7.834,836 2.005,838 93.591,839 476.362,840 25,842 11.529,845 -0.36,846 48.345,847 55.813,848 0.244,849 0.554,850 0.732,851 0.823,852 0.874,853 0.888,854 4.413,855 0.841,856 5.198,857 2.275,858 3.932,859 4.304,860 2.027,861 5.832,862 3.908,863 5.51,864 0.281,865 6.655,866 1.546,867 3.219,868 3.829,869 1.593,870 6.418,871 3.19,872 6.735,873 0.146,874 8.214,875 0.501,876 5.352,877 6.225,878 3.019,879 9.415,880 5.302,881 7.996,882 -0.14,883 9.834,884 0.205,885 5.485,886 6.572,887 3.114,888 10.821,889 5.422,890 9.293,891 -0.558,892 11.492,893 -0.271,894 7.026,895 8.455,896 4.198,897 13.289,898 6.949,899 10.612,900 -0.896,901 13.176,902 -1.093,903 7.574,904 9.171,905 4.555,906 15.031,907 7.481,908 11.947,909 -1,910 14.877,911 -1.933,912 8.843,913 10.829,914 5.456,915 17.293,916 8.738,917 2.791,918 -1.266,919 16.592,920 -2.553,921 9.607,922 11.743,923 5.952,924 19.196,925 9.484,926 2.564,927 8.188,928 18.315,929 -2.835,930 10.743,931 13.278,932 6.751,933 21.366,934 10.608,935 2.152,936 7.204,937 20.045,938 3.653,939 11.623,940 14.314,941 7.324,942 23.353,943 11.469,944 1.834,945 6.229,946 21.781,947 3.084,948 12.694,949 15.772,950 8.066,951 25.481,952 12.526,953 1.428,954 3.653,955 23.521,956 2.668,957 13.634,958 16.888,959 8.682,960 27.514,961 13.448,962 1.254,963 2.96,964 25.264,965 1.852,966 14.674,967 18.295,968 9.392,969 29.622,970 14.473,971 1,972 2.691,973 27.011,974 1.5,975 15.647,976 19.467,977 10.031,978 31.682,979 15.427,980 4844,981 7310,982 13.405,983 29.819,984 28.572,985 29.928,986 30.286,987 28.479,988 28.581,989 33.952,990 4.432,991 70.904,992 28.228,993 5.007,994 5.72,995 5.881,996 4.776,997 4.791,998 6.653,999 3.416,1000 14.167,1001 4.741,1002 12.003,1003 1.361,1004 1.425,1005 1.442,1006 1.356,1007 1.361,1008 1.617,1009 0.211,1010 3.376,1011 1.344,1012 3.961,1013 3.997,1014 3.89,1015 3.886,1016 7.429,1017 3.881,1018 3.759,1019 3.823,1020 3.61,1021 3.638,1022 6.456,1023 3.619,1024 3.68,1025 3.729,1026 3.569,1027 3.477,1028 4.97,1029 3.495,1030 3.526,1031 3.6,1032 3.34,1033 3.384,1034 4.743,1035 3.365,1036 3.262,1037 3.345,1038 3.081,1039 3.093,1040 4.216,1041 3.074,1042 3.091,1043 3.158,1044 2.917,1045 2.825,1046 4.048,1047 2.83,1048 2.891,1049 2.981,1050 2.687,1051 2.735,1052 3.87,1053 2.715,1054 2.854,1055 2.925,1056 2.675,1057 2.629,1058 3.674,1059 2.636,1060 0.195,1061 0.177,1062 0.282,1063 0.18,1064 0.133,1065 4.089,1066 0.174,1067 3.72,1068 0.093,1069 5.917,1070 0.39,1071 3.776,1072 0.131,1073 2.791,1074 3.653,1075 1.953,1076 8.188,1077 2.741,1078 1.937,1079 1.906,1080 2.085,1081 2.038,1082 1.41,1083 2.052,1084 1.775,1085 1.714,1086 2.008,1087 1.935,1088 1.245,1089 1.964,1090 1.611,1091 1.559,1092 1.853,1093 1.845,1094 1.066,1095 1.841,1096 1.546,1097 1.48,1098 1.781,1099 1.734,1100 0.969,1101 1.768,1102 1.281,1103 1.201,1104 1.609,1105 1.499,1106 0.833,1107 1.539,1108 1.022,1109 0.946,1110 1.35,1111 1.333,1112 0.558,1113 1.323,1114 0.886,1115 0.821,1116 1.207,1117 1.199,1118 0.3,1119 1.216,1120 0.862,1121 0.782,1122 1.181,1123 1.128,1124 0.218,1125 1.141,1126 3.761,1128 4.963,1130 6.347,1132 7.816,1134 9.33,1135 2.23,1138 5.448,1139 8.816,1140 8.512,1141 2.686,1143 -0.868,1148 27.321,1149 67.028,1150 152.418,1151 201.346,1152 226.366,1153 240.366,1154 244.366,1155 58.865,1156 5.935,1157 75.35,1158 75.35,1159 6,1160 11.462,1161 3,1162 2.322,1163 54.366,1164 88,1165 96,1166 0.305,1167 176.318,1168 308.42,1169 421.977,1170 2500,1172 15.502,1173 0.738,1174 0.618,1175 15.502,1176 12.976,1177 10.168,1178 0.484,1179 0.378,1180 7.869,1181 9.922,1182 7.672,1183 6.495,1184 10.168,1185 7.933,1186 8.042,1187 0.322,1188 0.22,1189 8.042,1190 5.493,1191 6.253,1192 0.223,1193 0.128,1194 6.253,1195 3.574,1196 4.13,1197 0.142,1198 0.075,1199 4.13,1200 2.182,1201 3.036,1202 0.092,1203 0.044,1204 3.036,1205 1.456,1206 0.502,1207 62.991,1208 0.273,1209 21.89,1210 0.773,1211 92,1212 235.53,1213 98.734,1214 228.57,1215 298.16,1216 212,1217 99,1218 201.039,1219 105.458,1220 205.282,1221 292.32,1222 193,1223 5.367} {0 CHEMBL574237,1 1.255,2 12.762,3 4.041,4 16.33,5 92.278,6 5.519,7 0.286,8 3.984,9 4.144,10 3.242,11 3.462,12 4.88,13 3.372,14 4.556,15 4.787,16 3.444,17 3.834,18 5.325,19 3.681,20 4.874,21 5.176,22 3.449,23 3.953,24 5.568,25 3.751,26 4.878,27 5.194,28 3.348,29 3.905,30 5.589,31 3.684,32 4.801,33 5.116,34 3.272,35 3.828,36 5.5,37 3.608,38 4.658,39 4.961,40 3.208,41 3.749,42 5.356,43 3.54,44 4.591,45 4.892,46 3.121,47 3.675,48 5.299,49 3.46,50 4.513,51 4.821,52 3.002,53 3.55,54 5.221,55 3.333,56 0.084,57 0.707,58 13.389,59 5.297,60 9.438,61 7.76,62 0.144,63 1.083,64 22.022,65 8.478,66 15.624,67 12.608,68 0.241,69 1.288,70 28.232,71 10.246,72 27.875,73 15.556,74 0.272,75 1.234,76 27.885,77 9.968,78 36.296,79 15.227,80 0.257,81 1.121,82 25.586,83 9.447,84 32.106,85 14.166,86 0.159,87 1.029,88 22.458,89 8.446,90 22.822,91 12.718,92 0.139,93 0.95,94 20.948,95 7.994,96 22.113,97 11.938,98 0.145,99 0.838,100 19.209,101 7.164,102 22.025,103 10.677,104 32,105 24,106 0.216,107 0.498,108 0.707,109 0.815,110 0.86,111 0.873,112 3.1,113 1.207,114 -5.33,115 -5.22,116 -4.88,117 34,118 1,119 8,123 2,124 1,130 4,131 1,132 1,146 1,147 1,148 1,151 12,156 4,158 13,159 1,164 1,165 3,166 1,167 12,173 1,174 1,175 1,176 9,182 1,183 3,185 10,186 2,191 3,193 9,194 2,199 4,200 7,201 1,205 4,206 6,207 1,213 3,214 5,215 1,216 653,217 14.397,218 14.397,219 14.397,220 14.397,221 14.397,222 13.673,223 13.74,224 9.449,225 14.513,226 10.33,227 10.33,228 10.33,229 10.33,230 10.33,231 9.242,232 16.711,233 4.449,234 10.528,235 4.473,236 2.839,237 1.624,238 0.995,239 0.731,240 0.656,241 3.748,243 1,244 1,245 1,246 521,247 3.873,251 82.482,256 2.345,257 12.764,258 1,259 1,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.86,267 44,268 268,269 4.04,270 2.828,271 5.498,272 3.654,273 2.669,274 3.637,275 0.4,276 7.407,277 2.631,278 3.528,279 2.574,280 5.168,281 3.355,282 2.383,283 2.784,285 6.48,286 2.312,287 3.3,288 2.327,289 4.964,290 3.131,291 2.152,292 2.326,294 5.893,295 2.104,296 2.849,297 1.839,298 3.841,299 2.833,300 1.834,301 1.852,303 3.651,304 1.832,305 2.5,306 1.543,307 3.446,308 2.421,309 1.423,310 1.5,312 2.752,313 1.42,314 2.452,315 1.423,316 3.414,317 2.054,318 1.122,319 1.451,321 2.275,322 1.038,323 2.147,324 1,325 3.275,326 2,327 1,328 1.141,330 2.076,331 1,332 1.903,333 0.999,334 2.913,335 1.85,336 0.859,337 0.885,339 1.559,340 0.85,341 1.642,342 0.773,343 2.672,344 1.496,345 0.563,346 0.595,347 1.061,348 0.522,349 1.238,350 0.284,351 2.259,352 1.162,353 0.173,354 0.18,355 0.307,356 0.171,357 0.864,358 -0.142,359 2,360 0.685,361 -0.296,362 -0.323,363 -0.558,364 -0.289,365 0.5,366 -0.226,367 1.907,368 0.348,369 -0.572,370 -0.577,371 -0.894,372 -0.516,373 0.441,374 -0.605,375 1.57,376 0.25,377 -0.711,378 -0.755,379 -1.352,380 -0.693,381 0.367,382 -0.955,383 1.311,385 -1,386 -1.155,387 -2.416,388 -1,389 -0.019,390 -1,391 1.122,392 -0.128,393 -1.1,394 -1.41,395 -2.856,396 -1.068,397 10.133,398 0.483,399 0.242,400 0.012,401 18,402 0.857,403 6.5,404 0.31,405 11.5,406 0.548,407 21.231,408 1.011,409 25.867,410 0.488,411 10.091,412 0.481,413 2.922,414 0.139,415 7.336,416 0.349,417 0.122,419 0.148,420 1.171,421 1.362,422 1.223,423 1.286,424 1.178,425 1.259,426 0.963,427 1.373,428 1.213,429 1.322,430 0.871,431 1.294,432 0.83,433 1.02,434 0.998,435 1.013,436 0.796,437 1.016,438 0.778,439 0.96,440 0.976,441 0.973,442 0.675,443 0.983,444 0.867,445 0.908,446 0.92,447 0.914,448 0.922,449 0.926,450 0.726,451 1.033,452 0.981,453 1.034,454 0.705,455 1.027,456 0.654,457 1.081,458 0.99,459 1.11,460 0.643,461 1.08,462 0.913,463 1.015,464 0.953,465 1.031,466 0.893,467 1.004,468 3,469 0.054,470 1.333,471 0.375,472 0.542,473 0.347,474 0.182,475 0.177,476 0.115,477 0.081,478 4727,479 8422,480 1.919,481 60.4,482 17,483 9,486 4,489 2,490 1.621,491 1.826,492 3.647,493 1.781,495 1,497 66.521,498 1.255,499 2.889,500 4.104,501 4.733,502 4.997,503 5.072,504 3.142,505 4.107,506 4.352,507 3.796,508 797.151,509 7.411,510 9500.89,511 1,512 1,513 303.58,514 1.149,515 4.338,516 0.143,517 0.005,518 0.056,519 0.016,520 0.027,521 0.018,522 0.01,523 0.011,524 0.008,525 0.007,526 0.302,527 0.5,528 0.88,529 2.644,530 100.321,531 -0.104,532 0.058,533 -0.019,534 0.049,535 -0.127,536 0.027,537 -0.073,538 -0.167,539 -0.133,540 -0.145,541 -0.044,542 -0.146,543 0.012,544 0.003,545 -0.011,546 -0.013,547 -0.014,548 -0.016,549 0.065,550 0.022,551 -0.009,552 -0.009,553 0.087,554 -0.013,555 0.068,556 0.038,557 0.039,558 0.057,559 0.023,560 0.045,561 -0.017,562 -0.02,563 -0.014,564 -0.019,565 -0.006,566 -0.016,567 0.021,568 -0.075,569 -0.029,570 -0.085,571 0.039,572 -0.062,573 0.009,574 -0.06,575 0.01,576 -0.039,577 0.036,578 -0.018,579 1.347,580 2.813,581 0.286,582 25.442,583 0.977,584 1.14,585 4.103,586 16.834,587 0.602,588 3.091,589 3.219,590 3.296,591 3.367,592 3.497,593 3.434,594 3.434,595 3.466,596 3.434,597 3.296,598 7.267,599 0.541,600 292.52,601 3.091,602 4.511,603 5.252,604 6.023,605 6.788,606 7.57,607 8.347,608 9.137,609 9.923,610 10.717,611 3.8,612 1,615 1,623 4,628 2,630 6,633 1,638 53,639 6,640 1,641 21,642 53,643 18,644 6,645 2,646 4,648 1,649 1,652 2,657 9,659 6,660 12,669 1,670 32,671 3,672 4,673 3,677 2,681 1,682 1,683 1,693 1,704 1,708 1,710 1,712 1,715 21,716 1,717 1,718 10,719 1,721 1,731 1.9,732 1,737 11.5,738 8.95,739 5.167,740 3.662,741 1.135,742 1.191,743 0.889,744 10.14,745 7.07,746 3.219,747 3.541,748 3.876,749 4.247,750 4.71,751 4.626,752 4.692,753 4.804,754 4.854,755 4.702,756 0.889,757 23,758 7.803,759 2.996,760 7.508,761 15.656,762 12.254,763 2.008,764 42.167,765 0.002,767 1,768 329.591,769 75.054,770 50.908,772 42.683,774 75.054,775 372.274,776 50.908,777 8.825,778 55.279,779 80.588,780 18.011,781 5.942,783 329.591,785 329.591,786 125.962,787 42.683,790 306.049,791 23.542,792 42.683,793 64.104,794 43.847,795 18.011,797 329.591,798 93.591,799 75.054,801 329.591,802 28.324,803 46.73,804 18.011,805 75.581,806 329.591,807 93.591,808 75.054,810 0.525,811 0.278,812 0.136,813 0.071,814 6,815 3,816 0.226,817 12,819 1,820 3.549,821 126.864,823 6,824 88.239,826 18.154,827 11.73,828 8.868,830 93.591,831 8.647,836 2.519,838 93.591,839 498.237,840 24,846 51.785,847 60.434,848 0.219,849 0.504,850 0.717,851 0.826,852 0.872,853 0.886,854 4.35,855 0.859,856 5.118,857 2.076,858 3.892,859 4.22,860 0.278,861 5.687,862 3.855,863 5.404,864 0.563,865 6.521,866 1.559,867 2.944,868 3.526,870 6.071,871 2.879,872 6.591,873 0.173,874 8.018,875 1.061,876 5.242,877 6.085,878 0.05,879 9.074,880 5.171,881 7.814,882 -0.296,883 9.573,884 0.307,885 5.142,886 6.282,888 10.317,889 5.036,890 9.075,891 -0.572,892 11.165,893 -0.558,894 6.817,895 8.293,896 0.008,897 12.734,898 6.711,899 10.362,900 -0.711,901 12.781,902 -0.894,903 7.162,904 8.918,906 14.34,907 7.021,908 11.669,909 -1,910 14.415,911 -1.352,912 8.517,913 10.667,914 0.001,915 16.523,916 8.377,917 2.669,918 -1.1,919 16.06,920 -2.416,921 9.117,922 11.53,924 18.307,925 8.945,926 2.383,927 7.407,928 17.713,929 -2.856,930 10.297,931 13.127,933 20.383,934 10.124,935 2.152,936 6.48,937 19.373,938 3.637,939 11.049,940 14.133,942 22.261,943 10.849,944 1.834,945 5.893,946 21.037,947 2.784,948 12.133,949 15.633,951 24.289,952 11.929,953 1.423,954 3.651,955 22.704,956 2.326,957 12.974,958 16.733,960 26.218,961 12.749,962 1.122,963 2.752,964 24.375,965 1.852,966 14.005,967 18.167,969 28.224,970 13.774,971 1,972 2.275,973 26.048,974 1.5,975 14.901,976 19.329,978 30.181,979 14.65,980 5030,981 6819,982 13.693,983 31.887,984 28.341,985 28.572,986 29.242,987 28.386,988 28.355,989 32.702,990 0.8,991 66.92,992 27.759,993 4.96,994 4.828,995 5.462,996 4.654,997 4.669,998 6.637,999 0.8,1000 12.682,1001 4.631,1002 10.682,1003 1.35,1004 1.361,1005 1.392,1006 1.352,1007 1.35,1008 1.557,1009 0.038,1010 3.187,1011 1.322,1012 3.961,1013 4.001,1014 3.884,1015 3.887,1016 6.456,1017 3.881,1018 3.759,1019 3.825,1020 3.596,1021 3.638,1022 5.003,1023 3.618,1024 3.709,1025 3.774,1026 3.564,1027 3.546,1028 4.75,1029 3.542,1030 3.533,1031 3.607,1032 3.347,1033 3.395,1034 4.218,1035 3.373,1036 3.305,1037 3.385,1038 3.124,1039 3.114,1040 4.096,1041 3.1,1042 3.198,1043 3.284,1044 2.979,1045 2.969,1046 3.949,1047 2.961,1048 2.968,1049 3.077,1050 2.759,1051 2.748,1052 3.679,1053 2.732,1054 2.854,1055 2.933,1056 2.687,1057 2.735,1058 3.674,1059 2.715,1060 0.192,1061 0.135,1062 0.262,1063 0.174,1064 0.127,1065 4.04,1066 0.173,1067 2.828,1068 0.019,1069 5.498,1070 0.353,1071 3.654,1072 0.125,1073 2.669,1074 3.637,1075 0.4,1076 7.407,1077 2.631,1078 1.939,1079 1.907,1080 2.088,1081 2.042,1082 1.411,1083 2.057,1084 1.777,1085 1.715,1086 2.014,1087 1.941,1088 1.259,1089 1.971,1090 1.687,1091 1.624,1092 1.924,1093 1.882,1094 1.225,1095 1.901,1096 1.561,1097 1.491,1098 1.839,1099 1.742,1100 1.057,1101 1.78,1102 1.3,1103 1.221,1104 1.619,1105 1.545,1106 0.847,1107 1.567,1108 1.188,1109 1.103,1110 1.52,1111 1.459,1112 0.718,1113 1.49,1114 0.961,1115 0.87,1116 1.335,1117 1.261,1118 0.546,1119 1.279,1120 0.886,1121 0.821,1122 1.186,1123 1.139,1124 0.287,1125 1.182,1126 3.761,1128 4.934,1130 6.282,1132 7.716,1134 9.199,1135 2.256,1138 5.855,1139 8.813,1140 10.754,1141 3.311,1143 0.012,1148 28.66,1149 66.521,1150 153.134,1151 217.522,1152 250.825,1153 264.825,1154 268.825,1155 51.697,1156 5.935,1157 58.28,1158 58.28,1159 6,1160 11.321,1161 2.807,1162 2,1163 54.374,1164 91,1165 96,1166 0.292,1167 184.842,1168 319.57,1169 442.774,1170 2585,1172 15.339,1173 0.73,1174 0.642,1175 15.339,1176 13.482,1177 10.258,1178 0.488,1179 0.402,1180 8.399,1181 10.063,1182 8.181,1183 6.933,1184 10.258,1185 8.452,1186 7.914,1187 0.33,1188 0.244,1189 7.914,1190 5.868,1191 5.781,1192 0.222,1193 0.148,1194 5.781,1195 3.841,1196 4.18,1197 0.149,1198 0.086,1199 4.18,1200 2.416,1201 3.067,1202 0.096,1203 0.049,1204 3.067,1205 1.577,1206 0.484,1207 62.995,1208 0.27,1209 22.077,1210 0.73,1211 90,1212 179.795,1213 94.187,1214 178.823,1215 238.7,1216 168,1217 95,1218 162.839,1219 98.689,1220 168.41,1221 237.6,1222 159,1223 5} {0 CHEMBL574238,1 1.352,2 12.522,3 3.713,4 13.783,5 93.202,6 6.01,7 0.25,8 4.01,9 4.155,10 3.364,11 3.507,12 4.937,13 3.439,14 4.6,15 4.81,16 3.653,17 3.904,18 5.457,19 3.786,20 4.933,21 5.21,22 3.656,23 4.001,24 5.795,25 3.838,26 4.881,27 5.169,28 3.558,29 3.899,30 5.84,31 3.732,32 4.753,33 5.037,34 3.396,35 3.811,36 5.618,37 3.643,38 4.635,39 4.914,40 3.372,41 3.772,42 5.43,43 3.604,44 4.614,45 4.893,46 3.269,47 3.736,48 5.396,49 3.55,50 4.552,51 4.848,52 3.068,53 3.601,54 5.292,55 3.394,56 0.071,57 0.728,58 13.172,59 5.288,60 8.296,61 7.606,62 0.189,63 1.163,64 23.279,65 8.75,66 19.118,67 12.926,68 0.421,69 1.367,70 31.823,71 10.811,72 45.739,73 16.22,74 0.452,75 1.245,76 30.131,77 9.891,78 67.293,79 15,80 0.286,81 1.112,82 26.305,83 8.987,84 44.992,85 13.429,86 0.178,87 1.049,88 23.119,89 8.521,90 27.365,91 12.69,92 0.172,93 1.015,94 22.599,95 8.417,96 25.393,97 12.477,98 0.184,99 0.899,100 21.017,101 7.658,102 25.983,103 11.386,104 17,105 30,106 0.231,107 0.521,108 0.713,109 0.821,110 0.866,111 0.879,112 3.186,113 1.127,114 -4.68,115 -4.6,116 -4.32,117 35.8,118 1,119 8,123 1,124 2,130 4,131 1,132 1,142 1,151 12,154 1,156 4,158 13,163 1,164 2,165 2,167 12,170 3,172 1,173 1,174 2,176 9,179 2,183 3,185 8,188 1,191 5,193 9,196 1,199 4,200 8,203 1,205 3,206 6,209 1,213 3,214 5,216 781,217 15.681,218 15.681,219 15.681,220 15.681,221 15.681,222 14.828,223 16.36,224 9.88,225 15.807,226 11.826,227 11.826,228 11.826,229 11.826,230 11.826,231 10.496,232 19.302,233 4.694,234 12.035,235 4.376,236 2.673,237 1.548,238 0.92,239 0.656,240 0.58,241 3.852,243 1,244 1,245 1,246 591,247 3.606,250 77.595,251 86.32,256 2.325,257 20.216,258 1,259 1,260 1,261 0.83,262 1,263 1,264 1,265 1,266 0.98,267 49,268 288,269 4.141,270 3.774,271 6.402,272 3.961,273 2.987,274 3.655,275 1.956,276 9.695,277 2.902,278 3.972,279 2.823,280 5.514,281 3.63,282 2.643,283 3.198,284 0.465,285 7.44,286 2.611,287 3.497,288 2.728,289 5.197,290 3.231,291 2.255,292 2.737,293 0.132,294 6.524,295 2.194,296 3.11,297 2.346,298 4.749,299 2.863,300 1.863,301 2.154,303 4.922,304 1.858,305 2.848,306 1.838,307 3.842,308 2.793,309 1.791,310 1.85,312 3.649,313 1.785,314 2.5,315 1.617,316 3.679,317 2.413,318 1.414,319 1.5,321 2.753,322 1.413,323 2.447,324 1.424,325 3.43,326 2.05,327 1.138,328 1.446,330 2.583,331 1.033,332 2.145,333 1.211,334 3.414,335 2,336 1,337 1.142,339 2.275,340 1,341 1.92,342 1,343 3.374,344 1.861,345 0.869,346 0.896,347 2.004,348 0.861,349 1.867,350 0.912,351 2.919,352 1.748,353 0.758,354 0.805,355 1.527,356 0.745,357 1.413,358 0.583,359 2.62,360 1.246,361 0.246,362 0.266,363 0.459,364 0.245,365 1.078,366 0.212,367 2.245,368 0.883,369 -0.114,370 -0.13,371 -0.23,372 -0.113,373 0.66,374 -0.058,375 2,376 0.453,377 -0.541,378 -0.572,379 -1.077,380 -0.525,381 0.5,382 -0.281,383 1.785,384 0.248,385 -0.676,386 -0.723,387 -1.45,388 -0.622,389 0.416,390 -0.656,391 1.577,392 0.116,393 -0.897,394 -1.064,395 -1.933,396 -0.905,397 10.967,398 0.477,399 0.383,400 0.017,401 21.5,402 0.935,403 8,404 0.348,405 13.5,406 0.587,407 22.705,408 0.987,409 27.433,410 0.518,411 13.415,412 0.583,413 3.539,414 0.154,415 7.664,416 0.333,417 0.106,419 0.228,420 0.882,421 1.369,422 1.06,423 1.241,424 0.753,425 1.176,426 0.714,427 1.38,428 1.084,429 1.305,430 0.641,431 1.244,432 0.928,433 0.99,434 0.98,435 1.008,436 0.962,437 1.002,438 0.96,439 0.95,440 0.924,441 0.934,442 1.001,443 0.925,444 1.222,445 0.905,446 1.004,447 0.904,448 1.375,449 0.928,450 0.716,451 1.023,452 0.923,453 1.023,454 0.682,455 0.998,456 0.721,457 1.082,458 1.009,459 1.119,460 0.638,461 1.099,462 0.821,463 0.999,464 0.976,465 1.029,466 0.89,467 1.026,468 3.5,469 0.074,470 2,471 1,472 0.792,473 0.406,474 0.292,475 0.196,476 0.161,477 0.09,478 6323,479 11981,480 1.995,481 56.6,482 17,483 8,486 3,489 2,490 1.648,491 1.89,492 3.575,493 0.946,495 1,497 71.662,498 1.352,499 3.054,500 4.18,501 4.808,502 5.072,503 5.148,504 3.088,505 4.263,506 4.486,507 3.787,508 958.133,509 7.68,510 11919.2,511 1,512 1,513 303.58,514 1.264,515 4.465,516 0.146,517 0.006,518 0.067,519 0.036,520 0.032,521 0.018,522 0.013,523 0.01,524 0.011,525 0.006,526 0.345,527 0.17,528 1,529 1.957,530 112.228,531 -0.064,532 -0.008,533 0.011,534 0.035,535 -0.057,536 0.032,537 0.067,538 -0.186,539 -0.067,540 -0.161,541 0.026,542 -0.136,543 0.111,544 0.01,545 0.015,546 -0.03,547 0.036,548 -0.023,549 0.163,550 0.005,551 0.069,552 0.015,553 0.173,554 0.03,555 -0.108,556 0.057,557 -0.011,558 0.065,559 -0.079,560 0.041,562 -0.01,563 0.033,564 0.002,565 0.02,566 0.02,567 -0.016,568 -0.073,569 -0.058,570 -0.091,571 -0.007,572 -0.079,573 -0.031,574 -0.057,575 -0.033,576 -0.042,577 -0.064,578 -0.04,579 1.915,580 5.074,581 0.478,582 26.125,583 0.985,584 1.136,585 3.451,586 11.91,587 0.615,588 3.219,589 3.434,590 3.611,591 3.761,592 3.784,593 3.761,594 3.807,595 3.85,596 3.892,597 3.85,598 7.301,599 0.563,600 318.51,601 3.219,602 4.691,603 5.485,604 6.304,605 7.117,606 7.947,607 8.77,608 9.606,609 10.436,610 11.276,611 3.8,613 1,617 1,623 4,628 2,630 6,638 53,639 7,640 1,641 24,642 54,643 19,644 6,645 2,646 4,648 2,649 2,652 1,655 3,657 10,659 7,660 12,662 1,664 1,667 1,669 1,670 30,671 4,672 3,673 4,677 2,681 1,682 2,684 1,689 1,692 1,693 1,700 1,705 1,708 1,710 2,712 1,715 23,717 1,718 9,719 2,721 2,731 3.8,732 1,734 1,737 12.167,738 9.117,739 5.389,740 3.733,741 1.178,742 1.184,743 0.899,744 7.734,745 7.597,746 3.367,747 3.75,748 4.115,749 4.509,750 4.876,751 4.865,752 5.074,753 5.252,754 5.269,755 5.31,756 1,757 28,758 8.608,759 3.542,760 7.638,761 16.991,762 13.886,763 2.138,764 49.167,765 0.001,767 1,768 317.82,769 79.759,770 36.022,772 67.828,774 79.759,775 385.648,776 36.022,777 8.825,778 40.393,779 98.599,780 29.85,781 5.942,783 317.82,785 317.82,786 115.781,787 67.828,790 294.278,791 48.687,792 42.683,793 67.229,794 48.552,797 317.82,798 103.85,799 79.759,801 317.82,802 33.029,803 46.73,804 36.022,805 67.828,806 317.82,807 103.85,808 79.759,810 0.55,811 0.309,812 0.157,813 0.073,814 11,815 5,816 0.167,817 9,819 1,820 3.721,821 157.849,823 11,824 100.042,826 18.123,827 9.815,828 6.058,830 103.85,831 8.067,836 2.111,838 78.705,839 501.429,840 28,842 12.074,845 -0.154,846 52.229,847 60.228,848 0.236,849 0.533,850 0.73,851 0.839,852 0.886,853 0.899,854 4.559,855 1,856 5.407,857 2.583,858 4.111,859 4.431,860 2.068,861 6.103,862 4.074,863 5.657,864 0.869,865 6.893,866 2.275,867 3.434,868 3.951,869 1.593,870 6.804,871 3.37,872 6.89,873 0.758,874 8.484,875 2.004,876 5.58,877 6.327,878 3.03,879 9.878,880 5.501,881 8.159,882 0.246,883 10.143,884 1.527,885 5.802,886 6.691,887 3.114,888 11.486,889 5.686,890 9.465,891 -0.114,892 11.848,893 0.459,894 7.338,895 8.541,896 4.207,897 14.037,898 7.209,899 10.794,900 -0.541,901 13.584,902 -0.23,903 7.996,904 9.279,905 4.559,906 16.012,907 7.827,908 12.141,909 -0.676,910 15.344,911 -1.077,912 9.268,913 10.908,914 5.466,915 18.385,916 9.085,917 2.987,918 -0.897,919 17.122,920 -1.45,921 10.142,922 11.839,923 5.96,924 20.52,925 9.919,926 2.643,927 9.695,928 18.914,929 -1.933,930 11.299,931 13.352,932 6.763,933 22.829,934 11.058,935 2.255,936 7.44,937 20.717,938 3.655,939 12.279,940 14.399,941 7.334,942 25.036,943 12,944 1.863,945 6.524,946 22.528,947 3.198,948 13.389,949 15.841,950 8.08,951 27.32,952 13.087,953 1.791,954 4.922,955 24.347,956 2.737,957 14.42,958 16.963,959 8.694,960 29.56,961 14.084,962 1.414,963 3.649,964 26.171,965 2.154,966 15.511,967 18.358,968 9.407,969 31.836,970 15.149,971 1.138,972 2.753,973 28.001,974 1.85,975 16.568,976 19.532,977 10.046,978 34.092,979 16.173,980 6399,981 9039,982 15.89,983 32.58,984 34.051,985 34.81,986 35.283,987 33.957,988 33.927,989 39.3,990 5.104,991 87.66,992 33.294,993 5.091,994 5.774,995 6.366,996 4.994,997 4.987,998 6.655,999 3.423,1000 16.323,1001 4.902,1002 10.954,1003 1.419,1004 1.45,1005 1.47,1006 1.415,1007 1.414,1008 1.638,1009 0.213,1010 3.652,1011 1.387,1012 3.974,1013 4.013,1014 3.902,1015 3.89,1016 7.428,1017 3.886,1018 3.841,1019 3.891,1020 3.743,1021 3.679,1022 6.449,1023 3.688,1024 3.755,1025 3.818,1026 3.59,1027 3.638,1028 4.747,1029 3.617,1030 3.54,1031 3.615,1032 3.364,1033 3.401,1034 4.281,1035 3.38,1036 3.333,1037 3.395,1038 3.211,1039 3.133,1040 4.216,1041 3.135,1042 3.19,1043 3.262,1044 2.989,1045 2.992,1046 4.044,1047 2.989,1048 2.918,1049 3.005,1050 2.711,1051 2.738,1052 3.864,1053 2.716,1054 2.883,1055 2.961,1056 2.687,1057 2.735,1058 3.674,1059 2.715,1060 0.173,1061 0.157,1062 0.267,1063 0.165,1064 0.124,1065 4.141,1066 0.152,1067 3.774,1068 0.081,1069 6.402,1070 0.404,1071 3.961,1072 0.121,1073 2.987,1074 3.655,1075 1.956,1076 9.695,1077 2.902,1078 1.937,1079 1.906,1080 2.085,1081 2.037,1082 1.41,1083 2.052,1084 1.775,1085 1.714,1086 2.008,1087 1.933,1088 1.246,1089 1.962,1090 1.612,1091 1.57,1092 1.851,1093 1.815,1094 1.164,1095 1.816,1096 1.556,1097 1.49,1098 1.81,1099 1.742,1100 1.062,1101 1.771,1102 1.476,1103 1.402,1104 1.693,1105 1.716,1106 0.929,1107 1.728,1108 1.277,1109 1.196,1110 1.603,1111 1.493,1112 0.831,1113 1.535,1114 1.008,1115 0.927,1116 1.346,1117 1.301,1118 0.557,1119 1.301,1120 0.886,1121 0.821,1122 1.181,1123 1.146,1124 0.298,1125 1.173,1126 3.892,1128 5.13,1129 2.398,1130 6.547,1131 4.595,1132 8.051,1133 6.555,1134 9.605,1135 2.24,1139 9.733,1140 10.271,1141 5.895,1143 -1.07,1148 29.848,1149 71.662,1150 161.886,1151 221.522,1152 254.825,1153 268.825,1154 272.825,1155 54.682,1156 6.418,1157 61.36,1158 61.36,1159 11,1160 11.844,1161 3,1162 2.322,1163 45.854,1164 101,1165 115,1166 0.222,1167 188.11,1168 330.66,1169 450.748,1170 4911,1172 16.493,1173 0.717,1174 0.617,1175 16.493,1176 14.184,1177 11.203,1178 0.467,1179 0.376,1180 8.947,1181 10.938,1182 8.754,1183 7.344,1184 11.203,1185 9.017,1186 9.228,1187 0.308,1188 0.216,1189 9.228,1190 6.492,1191 7.296,1192 0.203,1193 0.125,1194 7.296,1195 4.512,1196 5.689,1197 0.135,1198 0.072,1199 5.689,1200 3.041,1201 3.798,1202 0.088,1203 0.042,1204 3.798,1205 1.789,1206 0.366,1207 69.233,1208 0.251,1209 23.605,1210 0.563,1211 108,1212 256.551,1213 116.093,1214 248.488,1215 331.34,1216 232,1217 120,1218 231.571,1219 128.122,1220 234.36,1221 339.28,1222 222,1223 7.208} {0 CHEMBL574941,1 1.332,2 13.435,3 4.014,4 16.108,5 95.37,6 5.828,7 0.261,8 4.026,9 4.178,10 3.33,11 3.506,12 4.985,13 3.43,14 4.593,15 4.812,16 3.561,17 3.876,18 5.457,19 3.739,20 4.916,21 5.203,22 3.603,23 3.992,24 5.775,25 3.818,26 4.912,27 5.206,28 3.507,29 3.941,30 5.75,31 3.762,32 4.836,33 5.127,34 3.497,35 3.874,36 5.749,37 3.702,38 4.749,39 5.029,40 3.395,41 3.804,42 5.739,43 3.628,44 4.663,45 4.962,46 3.216,47 3.74,48 5.396,49 3.536,50 4.551,51 4.84,52 3.165,53 3.637,54 5.332,55 3.444,56 0.08,57 0.734,58 13.635,59 5.466,60 9.698,61 7.877,62 0.19,63 1.123,64 23.006,65 8.863,66 20.94,67 13.013,68 0.34,69 1.336,70 30.625,71 10.651,72 48.943,73 16.096,74 0.31,75 1.282,76 30.391,77 10.09,78 46.506,79 15.46,80 0.315,81 1.183,82 28.217,83 9.565,84 53.178,85 14.478,86 0.429,87 1.103,88 26.252,89 8.711,90 68.8,91 13.242,92 0.185,93 1.021,94 23.149,95 8.501,96 26.293,97 12.777,98 0.157,99 0.909,100 20.811,101 7.717,102 25.221,103 11.465,104 42,105 27,106 0.226,107 0.504,108 0.69,109 0.82,110 0.863,111 0.875,112 3.186,113 1.165,114 -5.07,115 -4.97,116 -4.66,117 34.5,118 1,119 9,123 1,124 1,130 4,131 1,132 1,142 1,146 1,147 1,148 1,151 13,154 1,156 4,158 13,159 1,161 1,162 1,163 1,164 1,165 5,166 1,167 12,168 1,170 3,174 2,176 9,179 2,182 1,183 3,184 1,185 10,186 2,188 1,189 1,190 1,191 3,193 11,194 2,196 1,199 2,200 9,201 1,203 1,205 4,206 7,207 1,209 1,213 4,214 6,215 1,216 832,217 15.604,218 15.604,219 15.604,220 15.604,221 15.604,222 14.75,223 13.692,224 10.14,225 15.691,226 11.298,227 11.298,228 11.298,229 11.298,230 11.298,231 9.957,232 13.554,233 4.793,234 11.439,235 4.449,236 2.814,237 1.723,238 0.959,239 0.705,240 0.632,241 3.834,243 1,244 1,245 1,246 601,247 4.243,251 91.881,256 2.416,257 20.233,258 1,259 1,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.86,267 49,268 309,269 4.089,270 3.718,271 5.925,272 3.783,273 2.796,274 3.653,275 1.953,276 8.232,277 2.753,278 3.857,279 2.787,280 5.459,281 3.569,282 2.57,283 3.087,284 0.263,285 7.223,286 2.565,287 3.427,288 2.378,289 5.108,290 3.142,291 2.162,292 2.672,294 6.257,295 2.117,296 2.85,297 2.104,298 3.984,299 2.834,300 1.835,301 1.852,303 3.659,304 1.832,305 2.713,306 1.838,307 3.838,308 2.562,309 1.572,310 1.691,312 3.443,313 1.548,314 2.5,315 1.66,316 3.431,317 2.412,318 1.414,319 1.5,321 2.733,322 1.411,323 2.447,324 1.424,325 3.414,326 2.012,327 1.048,328 1.445,330 2.275,331 1,332 2.181,333 1,334 3.219,335 2,336 1,337 1.129,339 2.058,340 0.998,341 1.893,342 0.914,343 2.898,344 1.834,345 0.835,346 0.867,347 1.536,348 0.833,349 1.415,350 0.627,351 2.561,352 1.253,353 0.261,354 0.28,355 0.481,356 0.257,357 1.122,358 0.522,359 2.248,360 1.021,361 0.102,362 0.103,363 0.156,364 0.093,365 1.078,366 0.197,367 2,368 0.862,369 -0.137,370 -0.158,371 -0.266,372 -0.135,373 0.655,374 -0.234,375 1.924,376 0.45,377 -0.557,378 -0.61,379 -1.093,380 -0.558,381 0.5,382 -0.586,383 1.594,384 0.117,385 -0.896,386 -1,387 -1.802,388 -0.902,389 0.339,390 -0.742,391 1.38,393 -1,394 -1.051,395 -1.933,396 -0.921,397 10.967,398 0.477,399 0.332,400 0.014,401 20.75,402 0.902,403 8,404 0.348,405 12.75,406 0.554,407 23.174,408 1.008,409 28.033,410 0.51,411 13.301,412 0.578,413 3.437,414 0.149,415 7.731,416 0.336,417 0.143,419 0.182,420 0.925,421 1.342,422 1.129,423 1.269,424 0.844,425 1.222,426 0.679,427 1.383,428 1.112,429 1.337,430 0.668,431 1.285,432 0.794,433 1.012,434 0.941,435 1.004,436 0.78,437 0.991,438 1.097,439 0.968,440 1.005,441 0.952,442 1.096,443 0.961,444 0.967,445 0.986,446 0.917,447 0.961,448 1.032,449 0.939,450 1.027,451 0.974,452 1.067,453 0.979,454 1.07,455 1.02,456 0.655,457 0.991,458 0.952,459 1.021,460 0.635,461 1.017,462 0.7,463 1.062,464 0.939,465 1.084,466 0.715,467 1.046,468 3.5,469 0.083,470 1.778,471 0.75,472 0.862,473 0.431,474 0.263,475 0.208,476 0.14,477 0.111,478 5933,479 11975,480 1.902,481 58.2,482 17,483 7,486 4,488 4,490 1.649,491 1.792,492 3.707,493 1.736,495 1,497 73.264,498 1.332,499 2.967,500 4.059,501 4.822,502 5.077,503 5.149,504 3.295,505 4.35,506 4.482,507 3.86,508 976.642,509 7.682,510 12383.5,511 1,512 1,513 317.975,514 1.28,515 4.458,516 0.152,517 0.007,518 0.066,519 0.028,520 0.036,521 0.018,522 0.013,523 0.012,524 0.008,525 0.007,526 0.346,528 0.88,529 2.671,530 113.047,531 -0.087,532 0.059,533 -0.02,534 0.05,535 -0.08,536 0.028,537 0.063,538 -0.187,539 -0.089,540 -0.159,541 0.021,542 -0.148,543 0.078,544 0.002,545 0.038,546 -0.005,547 0.075,548 0.007,549 -0.075,550 0.017,551 -0.016,552 0.01,553 -0.057,554 0.007,555 0.052,556 -0.013,557 0.067,558 0.015,559 0.068,560 0.039,561 0.114,562 0.034,563 -0.055,565 0.102,566 -0.04,567 -0.014,568 0.001,569 -0.014,570 -0.014,571 -0.033,572 -0.012,573 0.016,574 -0.072,575 0.008,576 -0.057,577 0.01,578 -0.029,579 1.898,580 4.883,581 0.261,582 28.631,583 0.984,584 1.139,585 3.843,586 14.769,587 0.606,588 3.178,589 3.332,590 3.434,591 3.497,592 3.638,593 3.555,594 3.584,595 3.638,596 3.555,597 3.434,598 7.577,599 0.552,600 320.53,601 3.178,602 4.615,603 5.371,604 6.155,605 6.936,606 7.731,607 8.526,608 9.329,609 10.131,610 10.939,611 3.6,612 1,617 1,623 4,628 2,630 6,638 55,639 7,640 1,641 23,642 55,643 19,644 6,645 2,646 4,648 1,649 1,652 2,657 10,659 7,660 12,662 1,664 1,667 1,669 1,670 32,671 4,672 4,673 4,677 2,681 1,682 2,683 1,693 1,700 1,704 1,708 1,710 1,712 1,715 23,716 1,717 1,718 10,719 1,721 1,731 3.6,732 1,734 1,737 12.833,738 9.367,739 5.611,740 3.808,741 1.196,742 1.196,743 0.887,744 10.544,745 7.303,746 3.332,747 3.676,748 4.012,749 4.368,750 4.821,751 4.776,752 4.969,753 5.129,754 4.986,755 4.87,756 1,757 27,758 8.564,759 3.366,760 7.71,761 16.809,762 13.151,763 2.21,764 50.833,767 1,768 329.591,769 80.188,770 50.908,772 67.828,774 80.188,775 397.419,776 50.908,777 8.825,778 73.719,779 80.588,780 29.85,781 5.942,783 329.591,785 329.591,786 131.096,787 67.828,790 282.506,791 72.229,792 42.683,793 82.544,794 48.552,797 329.591,798 118.736,799 80.188,801 329.591,802 33.458,803 46.73,804 18.011,805 100.725,806 329.591,807 118.736,808 80.188,810 0.533,811 0.289,812 0.137,813 0.076,814 7,815 4,816 0.218,817 12,819 1,820 3.684,821 146.977,823 6,824 100.042,826 19.825,827 12.232,828 8.848,830 118.736,831 8.008,836 2.087,838 93.591,839 528.515,840 27,842 11.883,845 -0.192,846 54.112,847 62.643,848 0.23,849 0.513,850 0.702,851 0.834,852 0.878,853 0.891,854 4.483,855 1,856 5.263,857 2.275,858 4.007,859 4.357,860 2.027,861 5.883,862 3.985,863 5.565,864 0.835,865 6.706,866 2.058,867 3.219,868 3.829,869 1.593,870 6.418,871 3.19,872 6.779,873 0.261,874 8.252,875 1.536,876 5.407,877 6.249,878 3.019,879 9.45,880 5.363,881 8.03,882 0.102,883 9.863,884 0.481,885 5.485,886 6.572,887 3.114,888 10.835,889 5.43,890 9.319,891 -0.137,892 11.515,893 0.156,894 7.066,895 8.465,896 4.198,897 13.324,898 6.999,899 10.632,900 -0.557,901 13.195,902 -0.266,903 7.581,904 9.173,905 4.555,906 15.059,907 7.502,908 11.964,909 -0.896,910 14.894,911 -1.093,912 8.874,913 10.834,914 5.456,915 17.334,916 8.784,917 2.796,918 -1,919 16.607,920 -1.802,921 9.622,922 11.745,923 5.952,924 19.236,925 9.517,926 2.57,927 8.232,928 18.33,929 -1.933,930 10.771,931 13.281,932 6.751,933 21.416,934 10.656,935 2.162,936 7.223,937 20.06,938 3.653,939 11.643,940 14.316,941 7.324,942 23.405,943 11.512,944 1.835,945 6.257,946 21.796,947 3.087,948 12.722,949 15.774,950 8.066,951 25.54,952 12.579,953 1.572,954 3.659,955 23.537,956 2.672,957 13.66,958 16.89,959 8.682,960 27.577,961 13.501,962 1.414,963 3.443,964 25.281,965 1.852,966 14.704,967 18.297,968 9.392,969 29.692,970 14.533,971 1.048,972 2.733,973 27.029,974 1.691,975 15.677,976 19.468,977 10.031,978 31.756,979 15.49,980 6306,981 9144,982 14.792,983 33.341,984 31.266,985 32.376,986 32.72,987 31.132,988 31.187,989 36.559,990 4.432,991 76.108,992 30.814,993 5.01,994 5.718,995 5.889,996 4.785,997 4.796,998 6.653,999 3.416,1000 14.276,1001 4.753,1002 12.782,1003 1.359,1004 1.408,1005 1.423,1006 1.354,1007 1.356,1008 1.59,1009 0.193,1010 3.309,1011 1.34,1012 3.964,1013 4.001,1014 3.892,1015 3.887,1016 7.429,1017 3.883,1018 3.764,1019 3.826,1020 3.637,1021 3.638,1022 6.456,1023 3.619,1024 3.74,1025 3.796,1026 3.586,1027 3.588,1028 4.984,1029 3.588,1030 3.54,1031 3.613,1032 3.361,1033 3.4,1034 4.743,1035 3.379,1036 3.416,1037 3.473,1038 3.269,1039 3.185,1040 4.216,1041 3.198,1042 3.238,1043 3.325,1044 3.033,1045 3.065,1046 4.049,1047 3.046,1048 3.018,1049 3.11,1050 2.827,1051 2.787,1052 3.883,1053 2.776,1054 2.854,1055 2.94,1056 2.687,1057 2.735,1058 3.807,1059 2.715,1060 0.178,1061 0.162,1062 0.258,1063 0.164,1064 0.122,1065 4.089,1066 0.159,1067 3.718,1068 0.085,1069 5.925,1070 0.358,1071 3.783,1072 0.12,1073 2.796,1074 3.653,1075 1.953,1076 8.232,1077 2.753,1078 1.938,1079 1.906,1080 2.086,1081 2.04,1082 1.41,1083 2.054,1084 1.777,1085 1.716,1086 2.01,1087 1.943,1088 1.261,1089 1.968,1090 1.714,1091 1.66,1092 1.942,1093 1.898,1094 1.242,1095 1.917,1096 1.565,1097 1.496,1098 1.845,1099 1.748,1100 1.06,1101 1.785,1102 1.352,1103 1.293,1104 1.623,1105 1.626,1106 0.841,1107 1.621,1108 1.258,1109 1.179,1110 1.565,1111 1.484,1112 0.719,1113 1.526,1114 0.991,1115 0.904,1116 1.345,1117 1.281,1118 0.556,1119 1.292,1120 0.886,1121 0.821,1122 1.181,1123 1.14,1124 0.301,1125 1.168,1126 3.85,1128 5.043,1130 6.415,1132 7.874,1134 9.382,1135 2.236,1138 5.774,1139 8.761,1140 10.02,1141 2.823,1143 -0.565,1148 30.374,1149 73.264,1150 163.181,1151 223.22,1152 265.22,1153 279.22,1154 283.22,1155 72.966,1156 6.107,1157 75.35,1158 75.35,1159 6,1160 11.532,1161 3,1162 2.322,1163 63.081,1164 104,1165 115,1166 0.297,1167 195.503,1168 343.02,1169 468.787,1170 3207,1172 16.916,1173 0.735,1174 0.626,1175 16.916,1176 14.391,1177 11.168,1178 0.486,1179 0.388,1180 8.869,1181 10.914,1182 8.655,1183 7.319,1184 11.168,1185 8.933,1186 8.776,1187 0.325,1188 0.229,1189 8.776,1190 6.176,1191 6.622,1192 0.221,1193 0.135,1194 6.622,1195 4.05,1196 4.538,1197 0.142,1198 0.079,1199 4.538,1200 2.541,1201 3.531,1202 0.095,1203 0.045,1204 3.531,1205 1.66,1206 0.49,1207 68.991,1208 0.26,1209 23.772,1210 0.748,1211 100,1212 243.53,1213 106.734,1214 236.763,1215 309.62,1216 220,1217 107,1218 209.039,1219 113.071,1220 213.236,1221 303.11,1222 201,1223 5} {0 CHEMBL575137,1 1.332,2 12.957,3 4.272,4 18.253,5 94.803,6 5.828,7 0.261,8 4.026,9 4.178,10 3.33,11 3.506,12 4.989,13 3.43,14 4.593,15 4.812,16 3.593,17 3.877,18 5.463,19 3.747,20 4.925,21 5.201,22 3.679,23 3.999,24 5.88,25 3.842,26 4.945,27 5.229,28 3.576,29 3.958,30 5.94,31 3.787,32 4.865,33 5.163,34 3.457,35 3.882,36 5.737,37 3.702,38 4.732,39 5.019,40 3.363,41 3.799,42 5.597,43 3.623,44 4.648,45 4.937,46 3.267,47 3.744,48 5.442,49 3.553,50 4.573,51 4.861,52 3.124,53 3.65,54 5.353,55 3.448,56 0.08,57 0.734,58 13.635,59 5.466,60 11.389,61 7.877,62 0.182,63 1.123,64 23.057,65 8.851,66 21.22,67 12.993,68 0.409,69 1.342,70 31.383,71 10.642,72 65.759,73 16.023,74 0.51,75 1.307,76 32.02,77 10.2,78 81.712,79 15.633,80 0.289,81 1.203,82 28.802,83 9.669,84 51.432,85 14.731,86 0.25,87 1.092,88 25.399,89 8.695,90 42.593,91 13.189,92 0.179,93 1.016,94 23.035,95 8.493,96 29.29,97 12.669,98 0.18,99 0.923,100 21.307,101 7.853,102 27.97,103 11.662,104 48,105 28,106 0.226,107 0.512,108 0.69,109 0.799,110 0.861,111 0.873,112 3.186,113 1.163,114 -5.07,115 -4.97,116 -4.66,117 34.5,118 2,119 8,124 2,130 4,131 1,132 1,142 1,146 1,147 1,148 1,151 13,154 1,156 3,158 13,162 1,163 1,164 2,165 4,166 2,167 12,168 1,170 3,172 1,173 1,174 3,176 9,177 1,179 3,183 4,185 8,186 2,188 1,191 5,193 9,194 2,196 1,199 4,200 10,201 1,203 1,205 3,206 8,207 1,209 1,213 3,214 6,215 1,216 802,217 15.397,218 15.397,219 15.397,220 15.397,221 15.397,222 14.543,223 13.448,224 9.65,225 15.476,226 11.217,227 11.217,228 11.217,229 11.217,230 11.217,231 9.88,232 13.896,233 4.486,234 11.369,235 4.449,236 2.772,237 1.724,238 1.082,239 0.718,240 0.646,241 3.83,244 1,245 1,246 579,247 4.359,251 91.666,256 2.31,257 21.564,258 1,259 1,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.86,267 49,268 298,269 4.114,270 3.751,271 6.266,272 3.891,273 2.912,274 3.654,275 1.953,276 9.069,277 2.844,278 3.936,279 2.799,280 5.508,281 3.617,282 2.629,283 3.154,284 0.263,285 7.4,286 2.601,287 3.477,288 2.654,289 5.189,290 3.212,291 2.237,292 2.717,294 6.483,295 2.174,296 3.064,297 2.344,298 4.723,299 2.853,300 1.855,301 2.091,303 4.765,304 1.848,305 2.847,306 1.838,307 3.841,308 2.778,309 1.781,310 1.85,312 3.648,313 1.763,314 2.5,315 1.424,316 3.462,317 2.413,318 1.414,319 1.5,321 2.74,322 1.412,323 2.447,324 1.401,325 3.414,326 2,327 1,328 1.446,330 2.275,331 1,332 1.931,333 1,334 3.358,335 1.862,336 0.872,337 0.901,339 1.755,340 0.862,341 1.874,342 0.912,343 2.9,344 1.748,345 0.762,346 0.812,347 1.478,348 0.746,349 1.413,350 0.583,351 2.561,352 1.249,353 0.251,354 0.27,355 0.455,356 0.25,357 1.102,358 0.421,359 2.248,360 1.018,361 0.089,362 0.09,363 0.125,364 0.082,365 1.078,366 0.198,367 2,368 0.862,369 -0.138,370 -0.16,371 -0.271,372 -0.137,373 0.654,374 -0.235,375 1.924,376 0.449,377 -0.558,378 -0.611,379 -1.094,380 -0.559,381 0.5,382 -0.586,383 1.6,384 0.116,385 -0.896,386 -1.051,387 -1.933,388 -0.902,389 0.339,390 -0.844,391 1.435,393 -1,394 -1.291,395 -2.554,396 -1,397 10.967,398 0.477,399 0.421,400 0.018,401 20.75,402 0.902,403 8,404 0.348,405 12.75,406 0.554,407 23.803,408 1.035,409 28.033,410 0.51,411 13.656,412 0.594,413 3.367,414 0.146,415 7.712,416 0.335,417 0.188,419 0.228,420 0.925,421 1.342,422 1.129,423 1.269,424 0.869,425 1.222,426 0.646,427 1.383,428 1.062,429 1.331,430 0.662,431 1.258,432 0.921,433 1.027,434 0.949,435 1.015,436 0.882,437 0.992,438 1.193,439 0.964,440 1.055,441 0.953,442 1.173,443 0.981,444 1.058,445 0.944,446 0.939,447 0.92,448 1.114,449 0.915,450 1.056,451 0.98,452 1.02,453 0.977,454 1.065,455 0.989,456 0.711,457 1.045,458 0.965,459 1.073,460 0.643,461 1.05,462 0.834,463 1.06,464 1.021,465 1.09,466 0.862,467 1.083,468 4,469 0.087,470 2.222,471 1,472 0.782,473 0.486,474 0.344,475 0.224,476 0.185,477 0.121,478 5773,479 11303,480 1.879,481 58.2,482 20,483 6,486 4,488 2,490 1.648,491 1.747,492 3.647,493 1.736,495 1,497 73.264,498 1.332,499 3.01,500 4.057,501 4.699,502 5.063,503 5.136,504 3.142,505 4.35,506 4.485,507 3.814,508 964.993,509 7.684,510 12094,511 1,512 1,513 317.975,514 1.422,515 4.442,516 0.174,517 0.007,518 0.079,519 0.034,520 0.031,521 0.021,522 0.016,523 0.012,524 0.012,525 0.009,526 0.396,528 0.88,529 2.601,530 112.531,531 -0.087,532 0.059,533 -0.02,534 0.05,535 -0.102,536 0.028,537 0.097,538 -0.188,539 -0.039,540 -0.154,541 0.028,542 -0.12,543 0.139,544 -0.008,545 0.058,546 -0.016,547 0.143,548 0.004,549 0.076,550 0.021,551 -0.032,552 -0.001,553 0.09,554 -0.024,555 -0.046,556 0.015,557 0.04,558 0.039,559 -0.011,560 0.049,561 -0.08,562 0.025,563 -0.031,564 0.011,565 -0.048,566 -0.001,567 -0.005,568 -0.038,569 -0.014,570 -0.047,571 0.001,572 -0.032,573 -0.042,574 -0.075,575 -0.066,576 -0.068,577 -0.067,578 -0.071,579 2.22,580 4.899,581 0.261,582 27.157,583 0.984,584 1.139,585 3.843,586 14.769,587 0.606,588 3.178,589 3.367,590 3.497,591 3.526,592 3.611,593 3.555,594 3.611,595 3.638,596 3.611,597 3.497,598 7.393,599 0.552,600 320.53,601 3.178,602 4.635,603 5.407,604 6.205,605 6.999,606 7.806,607 8.61,608 9.424,609 10.235,610 11.053,611 3.6,612 1,617 1,623 4,628 2,630 6,638 55,639 7,640 1,641 23,642 55,643 19,644 6,645 2,646 4,648 1,649 1,652 2,657 10,659 7,660 12,662 1,664 1,667 1,669 1,670 32,671 4,672 4,673 4,677 2,681 1,682 2,684 1,693 1,700 1,704 1,708 1,710 1,712 2,715 23,716 1,717 1,718 8,719 1,721 2,731 3.6,732 1,734 1,737 13.167,738 9.7,739 5.556,740 3.886,741 1.196,742 1.196,743 0.877,744 9.771,745 7.303,746 3.332,747 3.701,748 4.047,749 4.393,750 4.813,751 4.776,752 4.993,753 5.151,754 5.067,755 4.981,756 0.889,757 29,758 8.59,759 3.432,760 7.725,761 16.749,762 13.165,763 2.225,764 51.167,767 1,768 329.591,769 86.479,770 50.908,772 67.828,774 86.479,775 397.419,776 50.908,777 17.65,778 71.184,779 80.588,780 29.85,781 5.942,783 329.591,785 329.591,786 137.387,787 67.828,790 306.049,791 48.687,792 42.683,793 88.835,794 48.552,797 329.591,798 118.736,799 86.479,801 329.591,802 30.923,803 55.555,804 18.011,805 100.725,806 329.591,807 118.736,808 86.479,810 0.547,811 0.309,812 0.139,813 0.068,814 8,815 5,816 0.2,817 11,819 1,820 3.608,821 149.777,823 6,824 100.042,826 19.825,827 11.336,828 7.735,830 118.736,831 7.886,836 2.011,838 93.591,839 534.806,840 27,842 11.899,845 -0.344,846 54.112,847 62.643,848 0.23,849 0.521,850 0.702,851 0.813,852 0.876,853 0.888,854 4.505,855 0.872,856 5.333,857 2.275,858 4.043,859 4.382,860 2.027,861 6.004,862 4.014,863 5.61,864 0.762,865 6.819,866 1.755,867 3.434,868 3.951,869 1.593,870 6.691,871 3.37,872 6.843,873 0.251,874 8.411,875 1.478,876 5.501,877 6.29,878 3.019,879 9.715,880 5.437,881 8.111,882 0.089,883 10.065,884 0.455,885 5.74,886 6.665,887 3.114,888 11.226,889 5.633,890 9.414,891 -0.138,892 11.761,893 0.125,894 7.232,895 8.509,896 4.198,897 13.757,898 7.126,899 10.739,900 -0.558,901 13.484,902 -0.271,903 7.876,904 9.244,905 4.555,906 15.61,907 7.729,908 12.08,909 -0.896,910 15.228,911 -1.094,912 9.122,913 10.878,914 5.456,915 17.958,916 8.971,917 2.912,918 -1,919 16.987,920 -1.933,921 9.969,922 11.803,923 5.952,924 19.976,925 9.781,926 2.629,927 9.069,928 18.757,929 -2.554,930 11.106,931 13.323,932 6.751,933 22.244,934 10.907,935 2.237,936 7.4,937 20.538,938 3.654,939 12.055,940 14.365,941 7.324,942 24.347,943 11.824,944 1.855,945 6.483,946 22.325,947 3.154,948 13.142,949 15.812,950 8.066,951 26.58,952 12.896,953 1.781,954 4.765,955 24.12,956 2.717,957 14.143,958 16.932,959 8.682,960 28.728,961 13.868,962 1.414,963 3.648,964 25.92,965 2.091,966 15.21,967 18.331,968 9.392,969 30.944,970 14.916,971 1,972 2.74,973 27.725,974 1.85,975 16.238,976 19.504,977 10.031,978 33.117,979 15.916,980 6154,981 8812,982 14.504,983 33.341,984 31.728,985 32.687,986 33.746,987 31.571,988 31.603,989 36.971,990 4.432,991 80.388,992 31.163,993 5.034,994 5.751,995 6.229,996 4.893,997 4.912,998 6.654,999 3.416,1000 15.648,1001 4.844,1002 14.092,1003 1.379,1004 1.421,1005 1.467,1006 1.373,1007 1.374,1008 1.607,1009 0.193,1010 3.495,1011 1.355,1012 3.964,1013 4.001,1014 3.893,1015 3.887,1016 7.429,1017 3.883,1018 3.767,1019 3.826,1020 3.655,1021 3.638,1022 6.449,1023 3.62,1024 3.744,1025 3.796,1026 3.588,1027 3.587,1028 4.97,1029 3.592,1030 3.539,1031 3.613,1032 3.358,1033 3.4,1034 4.743,1035 3.379,1036 3.395,1037 3.466,1038 3.237,1039 3.184,1040 4.216,1041 3.187,1042 3.233,1043 3.323,1044 3.02,1045 3.065,1046 4.049,1047 3.043,1048 3.015,1049 3.109,1050 2.809,1051 2.786,1052 4.001,1053 2.774,1054 2.854,1055 2.942,1056 2.687,1057 2.735,1058 3.868,1059 2.715,1060 0.179,1061 0.163,1062 0.272,1063 0.169,1064 0.127,1065 4.114,1066 0.159,1067 3.751,1068 0.085,1069 6.266,1070 0.394,1071 3.891,1072 0.124,1073 2.912,1074 3.654,1075 1.953,1076 9.069,1077 2.844,1078 1.937,1079 1.906,1080 2.085,1081 2.04,1082 1.41,1083 2.053,1084 1.776,1085 1.716,1086 2.009,1087 1.943,1088 1.246,1089 1.967,1090 1.708,1091 1.658,1092 1.933,1093 1.898,1094 1.197,1095 1.913,1096 1.566,1097 1.496,1098 1.845,1099 1.748,1100 1.06,1101 1.785,1102 1.361,1103 1.292,1104 1.636,1105 1.614,1106 0.841,1107 1.628,1108 1.261,1109 1.178,1110 1.586,1111 1.482,1112 0.71,1113 1.526,1114 0.991,1115 0.903,1116 1.345,1117 1.281,1118 0.555,1119 1.292,1120 0.886,1121 0.821,1122 1.181,1123 1.147,1124 0.297,1125 1.169,1126 3.85,1128 5.069,1130 6.472,1132 7.96,1134 9.493,1135 4.033,1138 5.703,1139 9.608,1140 9.311,1141 2.751,1143 -1.69,1148 30.374,1149 73.264,1150 165.529,1151 223.162,1152 258.465,1153 278.465,1154 282.465,1155 76.811,1156 6.107,1157 75.35,1158 75.35,1159 6,1160 11.637,1161 3,1162 2.322,1163 63.105,1164 102,1165 115,1166 0.305,1167 195.503,1168 343.02,1169 468.787,1170 3143,1172 17.079,1173 0.743,1174 0.633,1175 17.079,1176 14.554,1177 11.079,1178 0.482,1179 0.388,1180 8.856,1181 10.849,1182 8.603,1183 7.303,1184 11.079,1185 8.915,1186 8.901,1187 0.318,1188 0.222,1189 8.901,1190 6.205,1191 7.076,1192 0.221,1193 0.131,1194 7.076,1195 4.176,1196 4.642,1197 0.141,1198 0.076,1199 4.642,1200 2.518,1201 3.282,1202 0.091,1203 0.044,1204 3.282,1205 1.578,1206 0.502,1207 68.325,1208 0.263,1209 23.637,1210 0.773,1211 102,1212 245.53,1213 109.399,1214 239.812,1215 315.36,1216 222,1217 111,1218 217.796,1219 118.289,1220 221.534,1221 317.38,1222 209,1223 5.495} {0 CHEMBL575356,1 1.349,2 12.818,3 3.78,4 14.285,5 90.612,6 5.894,7 0.273,8 3.973,9 4.124,10 3.298,11 3.441,12 4.934,13 3.372,14 4.542,15 4.762,16 3.52,17 3.795,18 5.401,19 3.672,20 4.811,21 5.084,22 3.574,23 3.913,24 5.716,25 3.752,26 4.849,27 5.14,28 3.475,29 3.874,30 5.727,31 3.697,32 4.741,33 5.031,34 3.402,35 3.81,36 5.58,37 3.632,38 4.681,39 4.967,40 3.287,41 3.734,42 5.524,43 3.554,44 4.591,45 4.891,46 3.167,47 3.644,48 5.306,49 3.449,50 4.451,51 4.735,52 3.05,53 3.533,54 5.207,55 3.343,56 0.067,57 0.69,58 12.882,59 5.083,60 9.347,61 7.337,62 0.227,63 1.037,64 22.013,65 8.063,66 21.826,67 11.859,68 0.362,69 1.226,70 28.064,71 9.695,72 48.274,73 14.589,74 0.457,75 1.188,76 28.881,77 9.541,78 53.814,79 14.515,80 0.21,81 1.1,82 25.5,83 9.008,84 36.94,85 13.577,86 0.246,87 1.03,88 24.265,89 8.157,90 38.09,91 12.434,92 0.18,93 0.929,94 21.686,95 7.767,96 22.806,97 11.693,98 0.17,99 0.818,100 19.023,101 6.885,102 21.671,103 10.245,104 39,105 26,106 0.232,107 0.517,108 0.722,109 0.804,110 0.851,111 0.864,112 3.144,113 1.134,114 -4.84,115 -4.75,116 -4.46,117 34.6,118 1,119 7,122 1,123 1,124 1,130 4,131 1,132 1,142 1,146 1,147 1,148 1,151 12,154 1,156 2,158 13,162 2,163 2,164 1,165 2,166 1,167 12,169 1,170 2,172 1,174 1,176 9,179 2,183 3,185 8,186 2,188 3,191 3,193 7,194 2,196 3,199 2,200 6,201 1,203 2,205 2,206 5,207 1,209 2,213 2,214 4,215 1,216 692,217 14.897,218 14.897,219 14.897,220 14.897,221 14.897,222 14.043,223 14.526,224 9.615,225 15.123,226 10.798,227 10.798,228 10.798,229 10.798,230 10.798,231 9.457,232 15.058,233 4.499,234 11.064,235 4.351,236 2.698,237 1.51,238 1.029,239 0.76,240 0.683,241 3.79,243 1,244 1,245 1,246 548,247 4.123,251 86.911,256 2.289,257 17.024,258 1,259 1,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.86,267 47,268 282,269 4.089,270 3.722,271 5.925,272 3.779,273 2.795,274 3.653,275 1.953,276 8.229,277 2.743,278 3.856,279 2.788,280 5.459,281 3.565,282 2.569,283 3.087,284 0.86,285 7.222,286 2.557,287 3.426,288 2.409,289 5.108,290 3.136,291 2.159,292 2.671,293 0.263,294 6.254,295 2.109,296 2.85,297 2.28,298 3.947,299 2.833,300 1.834,301 1.852,303 3.656,304 1.831,305 2.636,306 1.838,307 3.836,308 2.435,309 1.458,310 1.596,312 3.265,313 1.427,314 2.5,315 1.609,316 3.427,317 2.343,318 1.382,319 1.5,321 2.722,322 1.306,323 2.445,324 1.424,325 3.414,326 2,327 1,328 1.441,330 2.275,331 1,332 1.903,333 1,334 2.99,335 1.847,336 0.861,337 0.886,339 1.572,340 0.847,341 1.84,342 0.913,343 2.825,344 1.64,345 0.75,346 0.789,347 1.265,348 0.661,349 1.412,350 0.59,351 2.368,352 1.243,353 0.244,354 0.264,355 0.449,356 0.243,357 1.078,358 0.218,359 2.168,360 0.878,361 -0.121,362 -0.14,363 -0.24,364 -0.12,365 0.657,366 0.087,367 2,368 0.451,369 -0.548,370 -0.572,371 -0.893,372 -0.499,373 0.5,374 -0.238,375 1.657,376 0.282,377 -0.599,378 -0.63,379 -1.097,380 -0.564,381 0.424,382 -0.586,383 1.512,384 0.116,385 -0.896,386 -1.051,387 -1.933,388 -0.902,389 0.336,390 -0.853,391 1.271,393 -1,394 -1.401,395 -2.554,396 -1,397 10.467,398 0.476,399 0.332,400 0.015,401 20.5,402 0.932,403 8,404 0.364,405 12.5,406 0.568,407 21.014,408 0.955,409 26.733,410 0.514,411 13.402,412 0.609,413 3.662,414 0.166,415 7.006,416 0.318,417 0.166,419 0.191,420 0.872,421 1.412,422 1.09,423 1.332,424 0.76,425 1.24,426 1.007,427 1.269,428 1.106,429 1.209,430 0.696,431 1.182,432 0.76,433 1.049,434 0.975,435 1.065,436 0.831,437 1.048,438 0.943,439 0.903,440 0.968,441 0.912,442 1.087,443 0.937,444 0.781,445 1.049,446 0.901,447 1.027,448 0.943,449 0.985,450 1.061,451 1.009,452 1.05,453 1.01,454 1.286,455 1.023,456 0.705,457 0.981,458 0.908,459 1.004,460 0.511,461 0.982,462 0.886,463 1.038,464 1.007,465 1.061,466 0.893,467 1.055,468 3.5,469 0.07,470 1.778,471 0.75,472 0.782,473 0.375,474 0.263,475 0.208,476 0.14,477 0.101,478 5188,479 10554,480 1.898,481 57.7,482 17,483 10,486 3,490 1.636,491 1.784,492 3.642,493 0.979,495 1,497 70.157,498 1.349,499 3.002,500 4.19,501 4.671,502 4.941,503 5.018,504 3.14,505 3.573,506 4.419,507 3.794,508 876.423,509 7.552,510 10671.2,511 1,512 1,513 296.423,514 1.309,515 4.391,516 0.159,517 0.006,518 0.068,519 0.029,520 0.034,521 0.017,522 0.014,523 0.012,524 0.009,525 0.008,526 0.357,527 0.17,528 0.88,529 2.628,530 106.226,531 -0.038,532 -0.018,533 0.004,534 -0.024,535 -0.051,536 -0.004,537 0.005,538 -0.111,539 -0.066,540 -0.07,541 0.022,542 -0.081,543 0.148,544 -0.006,545 0.017,546 -0.048,547 0.151,548 -0.037,549 0.123,550 0.065,551 0.021,552 0.048,553 0.079,554 0.026,555 0.015,556 -0.066,557 0.055,558 -0.022,559 0.06,560 0.016,561 -0.088,562 -0.012,563 -0.065,564 -0.029,565 -0.094,566 -0.041,567 0.008,568 -0.014,569 0.031,570 -0.012,571 0.011,572 0.011,573 -0.048,574 -0.053,575 -0.048,576 -0.042,577 -0.068,578 -0.046,579 1.965,580 4.768,581 0.273,582 26.132,583 0.985,584 1.139,585 3.611,586 13.037,587 0.607,588 3.135,589 3.296,590 3.401,591 3.466,592 3.584,593 3.497,594 3.555,595 3.584,596 3.497,597 3.367,598 7.27,599 0.555,600 306.5,601 3.135,602 4.575,603 5.333,604 6.12,605 6.903,606 7.7,607 8.496,608 9.3,609 10.103,610 10.911,611 3.8,612 1,617 1,623 4,628 2,630 6,638 52,639 7,640 1,641 22,642 52,643 18,644 6,645 2,646 4,648 1,649 1,652 1,657 8,659 7,660 11,662 1,664 1,667 1,669 1,670 30,671 4,672 3,673 4,677 2,681 1,682 2,693 1,700 1,704 1,709 1,710 1,712 2,715 22,716 1,718 8,719 1,720 1,721 1,731 3.8,734 1,735 1,737 12.333,738 9.333,739 5.361,740 3.458,741 1.207,742 1.2,743 0.899,744 9.722,745 7.23,746 3.296,747 3.651,748 3.994,749 4.355,750 4.805,751 4.75,752 4.962,753 5.111,754 4.955,755 4.817,756 0.889,757 26,758 8.171,759 3.171,760 7.652,761 16.009,762 12.299,763 2.152,764 47.333,765 0.001,767 1,768 317.82,769 90.594,770 50.908,772 36.145,774 90.594,775 353.965,776 50.908,777 19.708,778 73.242,779 37.905,780 40.849,781 5.942,783 317.82,785 317.82,786 141.502,787 36.145,790 317.82,791 25.145,792 11,793 82.067,794 59.435,797 317.82,798 87.053,799 90.594,801 317.82,802 32.981,803 57.613,804 18.011,805 69.042,806 317.82,807 87.053,808 90.594,810 0.535,811 0.293,812 0.141,813 0.074,814 7,815 4,816 0.212,817 11,819 1,820 3.57,821 138.614,823 6,824 94.107,826 18.827,827 11.36,828 8.125,830 87.053,831 8.015,836 2.095,838 50.908,839 495.467,840 26,842 11.768,845 -0.217,846 51.229,847 59.228,848 0.237,849 0.527,850 0.735,851 0.819,852 0.867,853 0.88,854 4.449,855 0.861,856 5.231,857 2.275,858 3.97,859 4.331,860 2.205,861 5.861,862 3.933,863 5.538,864 0.75,865 6.681,866 1.572,867 3.219,868 3.829,869 1.593,870 6.418,871 3.19,872 6.757,873 0.244,874 8.234,875 1.265,876 5.38,877 6.237,878 3.071,879 9.441,880 5.316,881 8.013,882 -0.121,883 9.85,884 0.449,885 5.485,886 6.572,887 3.114,888 10.835,889 5.422,890 9.306,891 -0.548,892 11.506,893 -0.24,894 7.048,895 8.46,896 4.21,897 13.319,898 6.959,899 10.623,900 -0.599,901 13.188,902 -0.893,903 7.581,904 9.173,905 4.555,906 15.058,907 7.485,908 11.957,909 -0.896,910 14.889,911 -1.097,912 8.863,913 10.832,914 5.458,915 17.33,916 8.747,917 2.795,918 -1,919 16.603,920 -1.933,921 9.621,922 11.745,923 5.952,924 19.234,925 9.491,926 2.569,927 8.229,928 18.327,929 -2.554,930 10.764,931 13.281,932 6.752,933 21.412,934 10.617,935 2.159,936 7.222,937 20.058,938 3.653,939 11.641,940 14.315,941 7.324,942 23.401,943 11.477,944 1.834,945 6.254,946 21.794,947 3.087,948 12.716,949 15.774,950 8.066,951 25.536,952 12.537,953 1.458,954 3.656,955 23.535,956 2.671,957 13.656,958 16.89,959 8.682,960 27.573,961 13.458,962 1.382,963 3.265,964 25.28,965 1.852,966 14.698,967 18.296,968 9.392,969 29.687,970 14.484,971 1,972 2.722,973 27.027,974 1.596,975 15.673,976 19.468,977 10.031,978 31.751,979 15.439,980 5531,981 8097,982 14.099,983 31.58,984 30.278,985 31.074,986 31.325,987 30.099,988 30.106,989 35.478,990 6.152,991 73.816,992 29.448,993 5.009,994 5.722,995 5.888,996 4.783,997 4.795,998 6.653,999 3.416,1000 14.264,1001 4.743,1002 12.391,1003 1.376,1004 1.412,1005 1.424,1006 1.368,1007 1.368,1008 1.613,1009 0.28,1010 3.355,1011 1.339,1012 3.961,1013 3.998,1014 3.891,1015 3.886,1016 7.429,1017 3.881,1018 3.759,1019 3.823,1020 3.615,1021 3.638,1022 4.999,1023 3.619,1024 3.694,1025 3.741,1026 3.577,1027 3.487,1028 4.743,1029 3.507,1030 3.529,1031 3.603,1032 3.344,1033 3.387,1034 4.574,1035 3.367,1036 3.306,1037 3.373,1038 3.148,1039 3.1,1040 4.215,1041 3.086,1042 3.214,1043 3.297,1044 3.002,1045 2.946,1046 4.048,1047 2.958,1048 3.001,1049 3.104,1050 2.785,1051 2.78,1052 3.869,1053 2.762,1054 2.854,1055 2.936,1056 2.687,1057 2.735,1058 3.674,1059 2.715,1060 0.186,1061 0.169,1062 0.269,1063 0.172,1064 0.127,1065 4.089,1066 0.166,1067 3.722,1068 0.089,1069 5.925,1070 0.374,1071 3.779,1072 0.125,1073 2.795,1074 3.653,1075 1.953,1076 8.229,1077 2.743,1078 1.937,1079 1.906,1080 2.085,1081 2.039,1082 1.41,1083 2.052,1084 1.775,1085 1.714,1086 2.008,1087 1.936,1088 1.246,1089 1.964,1090 1.619,1091 1.57,1092 1.855,1093 1.857,1094 1.069,1095 1.853,1096 1.551,1097 1.484,1098 1.798,1099 1.738,1100 0.998,1101 1.774,1102 1.287,1103 1.209,1104 1.613,1105 1.545,1106 0.834,1107 1.558,1108 1.181,1109 1.104,1110 1.544,1111 1.473,1112 0.568,1113 1.509,1114 0.991,1115 0.9,1116 1.346,1117 1.275,1118 0.551,1119 1.291,1120 0.886,1121 0.821,1122 1.181,1123 1.134,1124 0.3,1125 1.162,1126 3.807,1128 5.004,1130 6.382,1132 7.847,1134 9.36,1135 3.771,1138 5.684,1140 9.174,1141 2.8,1142 4.875,1143 -0.632,1148 28.848,1149 70.157,1150 156.116,1151 217.894,1152 242.913,1153 256.913,1154 260.913,1155 59.58,1156 6.023,1157 64.35,1158 64.35,1159 6,1160 11.503,1161 3,1162 2.322,1163 58.649,1164 97,1165 104,1166 0.302,1167 185.911,1168 325.72,1169 445.382,1170 2836,1172 16.209,1173 0.737,1174 0.634,1175 16.209,1176 13.937,1177 10.668,1178 0.485,1179 0.378,1180 8.224,1181 10.343,1182 7.969,1183 6.777,1184 10.668,1185 8.313,1186 8.422,1187 0.324,1188 0.222,1189 8.422,1190 5.766,1191 6.353,1192 0.219,1193 0.128,1194 6.353,1195 3.723,1196 4.467,1197 0.144,1198 0.076,1199 4.467,1200 2.354,1201 3.293,1202 0.094,1203 0.044,1204 3.293,1205 1.53,1206 0.497,1207 66.491,1208 0.266,1209 22.826,1210 0.762,1211 96,1212 251.116,1213 103.509,1214 240.46,1215 313.94,1216 224,1217 103,1218 210.251,1219 110.455,1220 216.949,1221 306.5,1222 201,1223 5} {0 CHEMBL575357,1 1.352,2 12.522,3 3.713,4 13.783,5 93.202,6 6.01,7 0.25,8 4.01,9 4.155,10 3.364,11 3.507,12 4.937,13 3.439,14 4.6,15 4.81,16 3.653,17 3.904,18 5.457,19 3.786,20 4.933,21 5.21,22 3.656,23 4.001,24 5.795,25 3.838,26 4.881,27 5.169,28 3.558,29 3.899,30 5.84,31 3.732,32 4.753,33 5.037,34 3.396,35 3.811,36 5.618,37 3.643,38 4.635,39 4.914,40 3.372,41 3.772,42 5.43,43 3.604,44 4.614,45 4.893,46 3.269,47 3.736,48 5.396,49 3.55,50 4.552,51 4.848,52 3.068,53 3.601,54 5.292,55 3.394,56 0.071,57 0.728,58 13.172,59 5.288,60 8.296,61 7.606,62 0.189,63 1.163,64 23.279,65 8.75,66 19.118,67 12.926,68 0.421,69 1.367,70 31.823,71 10.811,72 45.739,73 16.22,74 0.452,75 1.245,76 30.131,77 9.891,78 67.293,79 15,80 0.286,81 1.112,82 26.305,83 8.987,84 44.992,85 13.429,86 0.178,87 1.049,88 23.119,89 8.521,90 27.365,91 12.69,92 0.172,93 1.015,94 22.599,95 8.417,96 25.393,97 12.477,98 0.184,99 0.899,100 21.017,101 7.658,102 25.983,103 11.386,104 17,105 30,106 0.231,107 0.521,108 0.713,109 0.821,110 0.866,111 0.879,112 3.186,113 1.127,114 -4.68,115 -4.6,116 -4.32,117 35.8,118 1,119 8,123 1,124 2,130 4,131 1,132 1,142 1,151 12,154 1,156 4,158 13,163 1,164 2,165 2,167 12,170 3,172 1,173 1,174 2,176 9,179 2,183 3,185 8,188 1,191 5,193 9,196 1,199 4,200 8,203 1,205 3,206 6,209 1,213 3,214 5,216 781,217 15.681,218 15.681,219 15.681,220 15.681,221 15.681,222 14.828,223 16.36,224 9.88,225 15.807,226 11.826,227 11.826,228 11.826,229 11.826,230 11.826,231 10.496,232 19.302,233 4.694,234 12.035,235 4.376,236 2.673,237 1.548,238 0.92,239 0.656,240 0.58,241 3.852,243 1,244 1,245 1,246 591,247 3.606,250 77.595,251 86.32,256 2.325,257 20.216,258 1,259 1,260 1,261 0.83,262 1,263 1,264 1,265 1,266 0.98,267 49,268 288,269 4.141,270 3.774,271 6.402,272 3.961,273 2.987,274 3.655,275 1.956,276 9.695,277 2.902,278 3.972,279 2.823,280 5.514,281 3.63,282 2.643,283 3.198,284 0.465,285 7.44,286 2.611,287 3.497,288 2.728,289 5.197,290 3.231,291 2.255,292 2.737,293 0.132,294 6.524,295 2.194,296 3.11,297 2.346,298 4.749,299 2.863,300 1.863,301 2.154,303 4.922,304 1.858,305 2.848,306 1.838,307 3.842,308 2.793,309 1.791,310 1.85,312 3.649,313 1.785,314 2.5,315 1.617,316 3.679,317 2.413,318 1.414,319 1.5,321 2.753,322 1.413,323 2.447,324 1.424,325 3.43,326 2.05,327 1.138,328 1.446,330 2.583,331 1.033,332 2.145,333 1.211,334 3.414,335 2,336 1,337 1.142,339 2.275,340 1,341 1.92,342 1,343 3.374,344 1.861,345 0.869,346 0.896,347 2.004,348 0.861,349 1.867,350 0.912,351 2.919,352 1.748,353 0.758,354 0.805,355 1.527,356 0.745,357 1.413,358 0.583,359 2.62,360 1.246,361 0.246,362 0.266,363 0.459,364 0.245,365 1.078,366 0.212,367 2.245,368 0.883,369 -0.114,370 -0.13,371 -0.23,372 -0.113,373 0.66,374 -0.058,375 2,376 0.453,377 -0.541,378 -0.572,379 -1.077,380 -0.525,381 0.5,382 -0.281,383 1.785,384 0.248,385 -0.676,386 -0.723,387 -1.45,388 -0.622,389 0.416,390 -0.656,391 1.577,392 0.116,393 -0.897,394 -1.064,395 -1.933,396 -0.905,397 10.967,398 0.477,399 0.383,400 0.017,401 21.5,402 0.935,403 8,404 0.348,405 13.5,406 0.587,407 22.705,408 0.987,409 27.433,410 0.518,411 13.415,412 0.583,413 3.539,414 0.154,415 7.664,416 0.333,417 0.106,419 0.228,420 0.882,421 1.369,422 1.06,423 1.241,424 0.753,425 1.176,426 0.714,427 1.38,428 1.084,429 1.305,430 0.641,431 1.244,432 0.928,433 0.99,434 0.98,435 1.008,436 0.962,437 1.002,438 0.96,439 0.95,440 0.924,441 0.934,442 1.001,443 0.925,444 1.222,445 0.905,446 1.004,447 0.904,448 1.375,449 0.928,450 0.716,451 1.023,452 0.923,453 1.023,454 0.682,455 0.998,456 0.721,457 1.082,458 1.009,459 1.119,460 0.638,461 1.099,462 0.821,463 0.999,464 0.976,465 1.029,466 0.89,467 1.026,468 3.5,469 0.074,470 2,471 1,472 0.792,473 0.406,474 0.292,475 0.196,476 0.161,477 0.09,478 6323,479 11981,480 1.995,481 56.6,482 17,483 8,486 3,489 2,490 1.648,491 1.89,492 3.575,493 0.946,495 1,497 71.662,498 1.352,499 3.054,500 4.18,501 4.808,502 5.072,503 5.148,504 3.088,505 4.263,506 4.486,507 3.787,508 958.133,509 7.68,510 11919.2,511 1,512 1,513 303.58,514 1.264,515 4.465,516 0.146,517 0.006,518 0.067,519 0.036,520 0.032,521 0.018,522 0.013,523 0.01,524 0.011,525 0.006,526 0.345,527 0.17,528 1,529 1.957,530 112.228,531 -0.064,532 -0.008,533 0.011,534 0.035,535 -0.057,536 0.032,537 0.067,538 -0.186,539 -0.067,540 -0.161,541 0.026,542 -0.136,543 0.111,544 0.01,545 0.015,546 -0.03,547 0.036,548 -0.023,549 0.163,550 0.005,551 0.069,552 0.015,553 0.173,554 0.03,555 -0.108,556 0.057,557 -0.011,558 0.065,559 -0.079,560 0.041,562 -0.01,563 0.033,564 0.002,565 0.02,566 0.02,567 -0.016,568 -0.073,569 -0.058,570 -0.091,571 -0.007,572 -0.079,573 -0.031,574 -0.057,575 -0.033,576 -0.042,577 -0.064,578 -0.04,579 1.915,580 5.074,581 0.478,582 26.125,583 0.985,584 1.136,585 3.451,586 11.91,587 0.615,588 3.219,589 3.434,590 3.611,591 3.761,592 3.784,593 3.761,594 3.807,595 3.85,596 3.892,597 3.85,598 7.301,599 0.563,600 318.51,601 3.219,602 4.691,603 5.485,604 6.304,605 7.117,606 7.947,607 8.77,608 9.606,609 10.436,610 11.276,611 3.8,613 1,617 1,623 4,628 2,630 6,638 53,639 7,640 1,641 24,642 54,643 19,644 6,645 2,646 4,648 2,649 2,652 1,655 3,657 10,659 7,660 12,662 1,664 1,667 1,669 1,670 30,671 4,672 3,673 4,677 2,681 1,682 2,684 1,689 1,692 1,693 1,700 1,705 1,708 1,710 2,712 1,715 23,717 1,718 9,719 2,721 2,731 3.8,732 1,734 1,737 12.167,738 9.117,739 5.389,740 3.733,741 1.178,742 1.184,743 0.899,744 7.734,745 7.597,746 3.367,747 3.75,748 4.115,749 4.509,750 4.876,751 4.865,752 5.074,753 5.252,754 5.269,755 5.31,756 1,757 28,758 8.608,759 3.542,760 7.638,761 16.991,762 13.886,763 2.138,764 49.167,765 0.001,767 1,768 317.82,769 79.759,770 36.022,772 67.828,774 79.759,775 385.648,776 36.022,777 8.825,778 40.393,779 98.599,780 29.85,781 5.942,783 317.82,785 317.82,786 115.781,787 67.828,790 294.278,791 48.687,792 42.683,793 67.229,794 48.552,797 317.82,798 103.85,799 79.759,801 317.82,802 33.029,803 46.73,804 36.022,805 67.828,806 317.82,807 103.85,808 79.759,810 0.55,811 0.309,812 0.157,813 0.073,814 11,815 5,816 0.167,817 9,819 1,820 3.721,821 157.849,823 11,824 100.042,826 18.123,827 9.815,828 6.058,830 103.85,831 8.067,836 2.111,838 78.705,839 501.429,840 28,842 12.074,845 -0.154,846 52.229,847 60.228,848 0.236,849 0.533,850 0.73,851 0.839,852 0.886,853 0.899,854 4.559,855 1,856 5.407,857 2.583,858 4.111,859 4.431,860 2.068,861 6.103,862 4.074,863 5.657,864 0.869,865 6.893,866 2.275,867 3.434,868 3.951,869 1.593,870 6.804,871 3.37,872 6.89,873 0.758,874 8.484,875 2.004,876 5.58,877 6.327,878 3.03,879 9.878,880 5.501,881 8.159,882 0.246,883 10.143,884 1.527,885 5.802,886 6.691,887 3.114,888 11.486,889 5.686,890 9.465,891 -0.114,892 11.848,893 0.459,894 7.338,895 8.541,896 4.207,897 14.037,898 7.209,899 10.794,900 -0.541,901 13.584,902 -0.23,903 7.996,904 9.279,905 4.559,906 16.012,907 7.827,908 12.141,909 -0.676,910 15.344,911 -1.077,912 9.268,913 10.908,914 5.466,915 18.385,916 9.085,917 2.987,918 -0.897,919 17.122,920 -1.45,921 10.142,922 11.839,923 5.96,924 20.52,925 9.919,926 2.643,927 9.695,928 18.914,929 -1.933,930 11.299,931 13.352,932 6.763,933 22.829,934 11.058,935 2.255,936 7.44,937 20.717,938 3.655,939 12.279,940 14.399,941 7.334,942 25.036,943 12,944 1.863,945 6.524,946 22.528,947 3.198,948 13.389,949 15.841,950 8.08,951 27.32,952 13.087,953 1.791,954 4.922,955 24.347,956 2.737,957 14.42,958 16.963,959 8.694,960 29.56,961 14.084,962 1.414,963 3.649,964 26.171,965 2.154,966 15.511,967 18.358,968 9.407,969 31.836,970 15.149,971 1.138,972 2.753,973 28.001,974 1.85,975 16.568,976 19.532,977 10.046,978 34.092,979 16.173,980 6399,981 9039,982 15.89,983 32.58,984 34.051,985 34.81,986 35.283,987 33.957,988 33.927,989 39.3,990 5.104,991 87.66,992 33.294,993 5.091,994 5.774,995 6.366,996 4.994,997 4.987,998 6.655,999 3.423,1000 16.323,1001 4.902,1002 10.954,1003 1.419,1004 1.45,1005 1.47,1006 1.415,1007 1.414,1008 1.638,1009 0.213,1010 3.652,1011 1.387,1012 3.974,1013 4.013,1014 3.902,1015 3.89,1016 7.428,1017 3.886,1018 3.841,1019 3.891,1020 3.743,1021 3.679,1022 6.449,1023 3.688,1024 3.755,1025 3.818,1026 3.59,1027 3.638,1028 4.747,1029 3.617,1030 3.54,1031 3.615,1032 3.364,1033 3.401,1034 4.281,1035 3.38,1036 3.333,1037 3.395,1038 3.211,1039 3.133,1040 4.216,1041 3.135,1042 3.19,1043 3.262,1044 2.989,1045 2.992,1046 4.044,1047 2.989,1048 2.918,1049 3.005,1050 2.711,1051 2.738,1052 3.864,1053 2.716,1054 2.883,1055 2.961,1056 2.687,1057 2.735,1058 3.674,1059 2.715,1060 0.173,1061 0.157,1062 0.267,1063 0.165,1064 0.124,1065 4.141,1066 0.152,1067 3.774,1068 0.081,1069 6.402,1070 0.404,1071 3.961,1072 0.121,1073 2.987,1074 3.655,1075 1.956,1076 9.695,1077 2.902,1078 1.937,1079 1.906,1080 2.085,1081 2.037,1082 1.41,1083 2.052,1084 1.775,1085 1.714,1086 2.008,1087 1.933,1088 1.246,1089 1.962,1090 1.612,1091 1.57,1092 1.851,1093 1.815,1094 1.164,1095 1.816,1096 1.556,1097 1.49,1098 1.81,1099 1.742,1100 1.062,1101 1.771,1102 1.476,1103 1.402,1104 1.693,1105 1.716,1106 0.929,1107 1.728,1108 1.277,1109 1.196,1110 1.603,1111 1.493,1112 0.831,1113 1.535,1114 1.008,1115 0.927,1116 1.346,1117 1.301,1118 0.557,1119 1.301,1120 0.886,1121 0.821,1122 1.181,1123 1.146,1124 0.298,1125 1.173,1126 3.892,1128 5.13,1129 2.398,1130 6.547,1131 4.595,1132 8.051,1133 6.555,1134 9.605,1135 2.24,1139 9.733,1140 10.271,1141 5.895,1143 -1.07,1148 29.848,1149 71.662,1150 161.886,1151 221.522,1152 254.825,1153 268.825,1154 272.825,1155 54.682,1156 6.418,1157 61.36,1158 61.36,1159 11,1160 11.844,1161 3,1162 2.322,1163 45.854,1164 101,1165 115,1166 0.222,1167 188.11,1168 330.66,1169 450.748,1170 4911,1172 16.493,1173 0.717,1174 0.617,1175 16.493,1176 14.184,1177 11.203,1178 0.467,1179 0.376,1180 8.947,1181 10.938,1182 8.754,1183 7.344,1184 11.203,1185 9.017,1186 9.228,1187 0.308,1188 0.216,1189 9.228,1190 6.492,1191 7.296,1192 0.203,1193 0.125,1194 7.296,1195 4.512,1196 5.689,1197 0.135,1198 0.072,1199 5.689,1200 3.041,1201 3.798,1202 0.088,1203 0.042,1204 3.798,1205 1.789,1206 0.366,1207 69.233,1208 0.251,1209 23.605,1210 0.563,1211 108,1212 256.551,1213 116.093,1214 248.488,1215 331.34,1216 232,1217 120,1218 231.571,1219 128.122,1220 234.36,1221 339.28,1222 222,1223 5.469} {0 CHEMBL575358,1 1.409,2 13.083,3 3.14,4 9.856,5 94.299,6 6.195,7 0.24,8 4.039,9 4.178,10 3.41,11 3.514,12 5.019,13 3.459,14 4.621,15 4.82,16 3.72,17 3.915,18 5.533,19 3.815,20 4.969,21 5.231,22 3.774,23 4.021,24 5.981,25 3.882,26 4.936,27 5.217,28 3.61,29 3.926,30 5.936,31 3.771,32 4.792,33 5.072,34 3.499,35 3.831,36 5.79,37 3.673,38 4.664,39 4.936,40 3.424,41 3.783,42 5.522,43 3.63,44 4.64,45 4.912,46 3.363,47 3.752,48 5.49,49 3.585,50 4.587,51 4.867,52 3.193,53 3.627,54 5.448,55 3.448,56 0.076,57 0.737,58 13.368,59 5.328,60 12.796,61 7.539,62 0.188,63 1.172,64 23.764,65 8.776,66 26.897,67 12.851,68 0.616,69 1.381,70 33.88,71 10.906,72 80.291,73 16.347,74 0.537,75 1.274,76 32.509,77 10.046,78 84.724,79 15.345,80 0.457,81 1.128,82 27.904,83 9.183,84 76.562,85 13.811,86 0.223,87 1.059,88 24.253,89 8.487,90 36.88,91 12.701,92 0.182,93 1.023,94 23.528,95 8.472,96 32.961,97 12.591,98 0.23,99 0.912,100 22.419,101 7.702,102 39.302,103 11.46,104 24,105 32,106 0.24,107 0.545,108 0.733,109 0.825,110 0.875,111 0.888,112 3.226,113 1.093,114 -3.89,115 -3.85,116 -3.65,117 35.2,118 1,119 7,123 1,124 3,130 4,131 1,132 1,142 1,151 12,154 1,156 2,158 13,163 1,164 4,165 2,167 12,170 2,172 1,173 1,174 1,176 9,179 2,181 1,182 1,183 3,185 8,188 1,191 5,193 7,196 1,199 6,200 6,203 1,205 5,206 5,209 1,213 4,214 4,216 898,217 16.181,218 16.181,219 16.181,220 16.181,221 16.181,222 15.328,223 15.353,224 10.038,225 16.326,226 12.284,227 12.284,228 12.284,229 12.284,230 12.284,231 10.953,232 16.958,233 4.759,234 12.553,235 4.346,236 2.548,237 1.44,238 0.903,239 0.607,240 0.532,241 3.891,243 1,244 1,245 1,246 642,247 3.674,250 80.895,251 90.698,256 2.333,257 26.485,258 1,259 1,260 1,261 0.83,262 1,263 1,264 1,265 1,266 0.98,267 52,268 314,269 4.182,270 3.79,271 6.571,272 4.049,273 3.084,274 3.655,275 1.956,276 10.205,277 2.969,278 4.008,279 3.033,280 5.604,281 3.649,282 2.666,283 3.244,284 0.465,285 7.556,286 2.624,287 3.568,288 2.779,289 5.392,290 3.323,291 2.343,292 2.78,293 0.132,294 6.81,295 2.28,296 3.298,297 2.359,298 5.089,299 3.019,300 2.033,301 2.413,303 5.999,304 1.998,305 2.848,306 1.906,307 4.148,308 2.828,309 1.83,310 1.851,312 3.655,313 1.826,314 2.5,315 1.838,316 3.841,317 2.419,318 1.421,319 1.5,321 3.237,322 1.417,323 2.451,324 1.593,325 3.76,326 2.164,327 1.214,328 1.45,330 2.763,331 1.14,332 2.353,333 1.424,334 3.426,335 2.026,336 1.102,337 1.3,339 2.671,340 1.011,341 2.145,342 1,343 3.414,344 2,345 1,346 1.136,347 2.275,348 1,349 1.894,350 0.915,351 2.938,352 1.838,353 0.839,354 0.869,355 1.549,356 0.837,357 1.416,358 0.663,359 2.69,360 1.253,361 0.259,362 0.279,363 0.49,364 0.257,365 1.078,366 0.487,367 2.261,368 0.902,369 -0.068,370 -0.073,371 -0.139,372 -0.064,373 0.836,374 0.176,375 2,376 0.621,377 -0.285,378 -0.308,379 -0.596,380 -0.259,381 0.646,382 -0.252,383 2,384 0.446,385 -0.563,386 -0.622,387 -1.107,388 -0.564,389 0.5,390 -0.582,391 1.913,392 0.116,393 -0.896,394 -1.048,395 -1.933,396 -0.902,397 11.3,398 0.471,399 0.473,400 0.02,401 22.25,402 0.927,403 8,404 0.333,405 14.25,406 0.594,407 23.964,408 0.998,409 28.9,410 0.535,411 15.072,412 0.628,413 3.794,414 0.158,415 7.819,416 0.326,417 0.133,419 0.265,420 0.926,421 1.358,422 1.036,423 1.227,424 0.843,425 1.154,426 0.745,427 1.401,428 1.055,429 1.322,430 0.708,431 1.244,432 0.852,433 1.007,434 0.968,435 1.027,436 0.909,437 1.019,438 1.01,439 0.935,440 0.965,441 0.922,442 1.023,443 0.933,444 0.835,445 0.9,446 0.906,447 0.903,448 0.957,449 0.915,450 0.775,451 1.017,452 0.943,453 1.016,454 0.762,455 1.002,456 0.657,457 1.091,458 0.944,459 1.125,460 0.575,461 1.081,462 0.908,463 1.03,464 0.992,465 1.057,466 0.937,467 1.044,468 4,469 0.09,470 2.444,471 1.319,472 0.952,473 0.431,474 0.374,475 0.259,476 0.174,477 0.126,478 6998,479 14696,480 1.972,481 55.6,482 17,483 9,486 4,490 1.66,491 1.846,492 3.631,493 1.736,494 1,495 1,497 76.092,498 1.409,499 3.206,500 4.315,501 4.852,502 5.148,503 5.222,504 3.126,505 4.304,506 4.547,507 3.827,508 1056.24,509 7.804,510 13524.9,511 1,512 1,513 310.764,514 1.384,515 4.513,516 0.16,517 0.007,518 0.076,519 0.043,520 0.037,521 0.018,522 0.016,523 0.012,524 0.01,525 0.008,526 0.388,527 0.17,528 1,529 1.959,530 118.732,531 -0.096,532 0.015,533 -0.003,534 0.062,535 -0.095,536 0.045,537 0.03,538 -0.188,539 -0.062,540 -0.161,541 -0.01,542 -0.132,543 0.197,544 0.001,545 0.031,546 -0.042,547 0.111,548 -0.036,549 0.062,550 0.017,551 0.027,552 0.02,553 0.074,554 0.019,555 0.111,556 0.06,557 0.066,558 0.07,559 0.117,560 0.061,561 -0.033,562 0.006,563 0.009,564 0.008,565 -0.015,566 0.016,567 0.009,568 -0.075,569 -0.008,570 -0.087,571 0.032,572 -0.052,573 -0.047,574 -0.075,575 -0.038,576 -0.061,577 -0.051,578 -0.051,579 2.392,580 5.108,581 0.458,582 27.569,583 0.992,584 1.138,585 2.663,586 7.094,587 0.612,588 3.258,589 3.497,590 3.689,591 3.829,592 3.892,593 3.85,594 3.871,595 3.932,596 3.97,597 3.97,598 7.477,599 0.566,600 334.51,601 3.258,602 4.745,603 5.549,604 6.378,605 7.204,606 8.044,607 8.881,608 9.727,609 10.571,610 11.423,611 3.7,613 1,617 1,623 4,628 2,630 6,638 54,639 7,640 1,641 25,642 55,643 19,644 6,645 2,646 4,648 2,649 2,652 1,655 3,657 10,659 7,660 12,662 1,664 1,667 1,668 1,669 1,670 30,671 5,672 4,673 5,677 2,681 1,682 3,684 2,689 1,692 1,693 1,700 1,705 1,708 2,710 2,712 1,715 24,717 2,718 8,719 2,721 3,731 5.6,732 2,734 1,737 13,738 9.15,739 5.583,740 3.661,741 1.167,742 1.179,743 0.869,744 7.864,745 7.697,746 3.401,747 3.795,748 4.163,749 4.542,750 4.92,751 4.902,752 5.099,753 5.29,754 5.326,755 5.421,756 0.889,757 31,758 9.006,759 3.796,760 7.792,761 17.449,762 14.322,763 2.292,764 55,767 1,768 306.049,769 77.225,770 36.022,772 110.512,774 77.225,775 416.56,776 36.022,777 8.825,778 37.858,779 141.282,780 29.85,781 5.942,783 306.049,785 306.049,786 113.246,787 110.512,790 306.049,791 25.145,792 85.367,793 64.694,794 48.552,797 306.049,798 146.533,799 77.225,801 306.049,802 30.494,803 46.73,804 36.022,805 110.512,806 306.049,807 146.533,808 77.225,810 0.558,811 0.317,812 0.156,813 0.076,814 12,815 6,816 0.164,817 9,819 1,820 3.768,821 169.249,823 11,824 106.039,826 19.07,827 9.896,828 5.962,830 146.533,831 7.855,836 1.986,838 121.388,839 529.806,840 29,842 12.108,845 -0.317,846 53.556,847 61.438,848 0.245,849 0.557,850 0.75,851 0.843,852 0.895,853 0.907,854 4.61,855 1.102,856 5.493,857 2.763,858 4.174,859 4.477,860 2.068,861 6.221,862 4.127,863 5.721,864 1,865 7.006,866 2.671,867 3.611,868 4.06,869 1.593,870 6.997,871 3.523,872 6.965,873 0.839,874 8.625,875 2.275,876 5.68,877 6.375,878 3.03,879 10.079,880 5.58,881 8.244,882 0.259,883 10.31,884 1.549,885 5.994,886 6.774,887 3.114,888 11.739,889 5.839,890 9.559,891 -0.068,892 12.038,893 0.49,894 7.488,895 8.589,896 4.207,897 14.328,898 7.323,899 10.896,900 -0.285,901 13.798,902 -0.139,903 8.219,904 9.346,905 4.559,906 16.353,907 7.995,908 12.251,909 -0.563,910 15.579,911 -0.596,912 9.478,913 10.953,914 5.466,915 18.776,916 9.237,917 3.084,918 -0.896,919 17.379,920 -1.107,921 10.41,922 11.894,923 5.96,924 20.962,925 10.113,926 2.666,927 10.205,928 19.192,929 -1.933,930 11.573,931 13.393,932 6.763,933 23.324,934 11.252,935 2.343,936 7.556,937 21.017,938 3.655,939 12.6,940 14.445,941 7.334,942 25.584,943 12.228,944 2.033,945 6.81,946 22.851,947 3.244,948 13.729,949 15.877,950 8.08,951 27.922,952 13.325,953 1.83,954 5.999,955 24.693,956 2.78,957 14.801,958 17.003,959 8.694,960 30.215,961 14.351,962 1.421,963 3.655,964 26.541,965 2.413,966 15.918,967 18.391,968 9.407,969 32.544,970 15.432,971 1.214,972 3.237,973 28.394,974 1.851,975 17.014,976 19.567,977 10.046,978 34.853,979 16.484,980 7108,981 10586,982 16.296,983 33.035,984 35.806,985 36.775,986 37.426,987 35.665,988 35.58,989 40.956,990 5.104,991 94.42,992 34.718,993 5.133,994 5.79,995 6.535,996 5.083,997 5.084,998 6.655,999 3.423,1000 17.217,1001 4.969,1002 12.944,1003 1.432,1004 1.471,1005 1.497,1006 1.427,1007 1.423,1008 1.638,1009 0.204,1010 3.777,1011 1.389,1012 3.975,1013 4.013,1014 3.904,1015 3.89,1016 7.428,1017 3.886,1018 3.848,1019 3.891,1020 3.759,1021 3.677,1022 6.494,1023 3.692,1024 3.755,1025 3.818,1026 3.591,1027 3.638,1028 6.4,1029 3.618,1030 3.541,1031 3.615,1032 3.369,1033 3.401,1034 4.747,1035 3.381,1036 3.342,1037 3.398,1038 3.232,1039 3.134,1040 4.216,1041 3.14,1042 3.196,1043 3.265,1044 2.997,1045 2.993,1046 4.211,1047 2.995,1048 2.922,1049 3.007,1050 2.716,1051 2.739,1052 4.041,1053 2.719,1054 2.89,1055 2.968,1056 2.698,1057 2.735,1058 3.859,1059 2.715,1060 0.167,1061 0.152,1062 0.263,1063 0.162,1064 0.123,1065 4.182,1066 0.146,1067 3.79,1068 0.078,1069 6.571,1070 0.408,1071 4.049,1072 0.119,1073 3.084,1074 3.655,1075 1.956,1076 10.205,1077 2.969,1078 1.937,1079 1.906,1080 2.085,1081 2.037,1082 1.41,1083 2.052,1084 1.775,1085 1.714,1086 2.008,1087 1.933,1088 1.246,1089 1.962,1090 1.606,1091 1.569,1092 1.85,1093 1.816,1094 1.106,1095 1.814,1096 1.551,1097 1.49,1098 1.755,1099 1.75,1100 1.057,1101 1.761,1102 1.467,1103 1.402,1104 1.688,1105 1.718,1106 0.918,1107 1.724,1108 1.277,1109 1.196,1110 1.603,1111 1.493,1112 0.831,1113 1.535,1114 1.008,1115 0.927,1116 1.346,1117 1.301,1118 0.557,1119 1.301,1120 0.886,1121 0.821,1122 1.181,1123 1.146,1124 0.297,1125 1.173,1126 3.932,1128 5.187,1129 2.398,1130 6.624,1131 4.727,1132 8.146,1133 6.783,1134 9.718,1135 2.228,1139 19.229,1140 9.015,1141 5.604,1143 -2.708,1148 30.562,1149 76.092,1150 173.147,1151 232.989,1152 262.009,1153 278.009,1154 282.009,1155 65.333,1156 6.529,1157 81.59,1158 81.59,1159 11,1160 11.982,1161 3,1162 2.322,1163 49.033,1164 107,1165 126,1166 0.223,1167 192.106,1168 339.45,1169 460.498,1170 5631,1172 17.364,1173 0.723,1174 0.604,1175 17.364,1176 14.501,1177 11.613,1178 0.465,1179 0.364,1180 9.021,1181 11.291,1182 8.839,1183 7.393,1184 11.613,1185 9.108,1186 9.734,1187 0.304,1188 0.208,1189 9.734,1190 6.648,1191 7.897,1192 0.202,1193 0.118,1194 7.897,1195 4.606,1196 5.876,1197 0.131,1198 0.068,1199 5.876,1200 3.043,1201 4.131,1202 0.086,1203 0.039,1204 4.131,1205 1.855,1206 0.366,1207 72.275,1208 0.248,1209 24.432,1210 0.565,1211 114,1212 294.701,1213 124.196,1214 281.774,1215 370.52,1216 262,1217 128,1218 253.844,1219 138.78,1220 255.83,1221 372.57,1222 242,1223 5.081} {0 CHEMBL575560,1 1.368,2 12.19,3 3.371,4 11.364,5 85.861,6 5.969,7 0.286,8 3.917,9 4.067,10 3.242,11 3.395,12 4.911,13 3.325,14 4.471,15 4.686,16 3.481,17 3.759,18 5.371,19 3.633,20 4.786,21 5.066,22 3.537,23 3.868,24 5.744,25 3.706,26 4.782,27 5.07,28 3.399,29 3.804,30 5.765,31 3.627,32 4.658,33 4.951,34 3.297,35 3.731,36 5.482,37 3.548,38 4.558,39 4.839,40 3.223,41 3.66,42 5.409,43 3.48,44 4.532,45 4.832,46 3.074,47 3.568,48 5.321,49 3.367,50 4.38,51 4.678,52 2.925,53 3.409,54 5.157,55 3.214,56 0.072,57 0.657,58 12.058,59 4.779,60 10.229,61 6.884,62 0.174,63 0.998,64 20.366,65 7.738,66 22.633,67 11.379,68 0.363,69 1.178,70 27.372,71 9.303,72 58.271,73 14.069,74 0.453,75 1.106,76 27.219,77 8.878,78 73.899,79 13.506,80 0.199,81 1,82 23.426,83 8.491,84 36.435,85 12.647,86 0.17,87 0.941,88 21.392,89 7.643,90 31.52,91 11.518,92 0.175,93 0.867,94 20.571,95 7.233,96 29.344,97 10.95,98 0.172,99 0.731,100 17.691,101 6.161,102 26.098,103 9.272,104 36,105 25,106 0.239,107 0.543,108 0.717,109 0.807,110 0.856,111 0.871,112 3.1,113 1.133,114 -4.6,115 -4.52,116 -4.26,117 34.7,118 1,119 7,123 1,124 1,130 4,131 1,132 1,142 1,146 1,147 1,148 1,151 12,154 1,156 2,158 13,162 1,163 1,164 2,165 2,166 2,167 12,170 2,172 1,173 1,174 1,176 9,179 2,183 3,185 8,186 2,188 1,191 5,193 7,194 2,196 1,199 4,200 6,201 1,203 1,205 3,206 5,207 1,209 1,213 3,214 4,215 1,216 624,217 14.19,218 14.19,219 14.19,220 14.19,221 14.19,222 13.336,223 12.369,224 9.01,225 14.26,226 10.26,227 10.26,228 10.26,229 10.26,230 10.26,231 8.919,232 13.121,233 4.204,234 10.386,235 4.247,236 2.504,237 1.506,238 0.995,239 0.709,240 0.628,241 3.744,243 1,244 1,245 1,246 497,247 4,251 82.038,256 2.2,257 18.554,258 1,259 1,260 0.83,261 0.83,262 1,263 1,264 1,265 1,266 0.95,267 45,268 256,269 4.089,270 3.72,271 5.917,272 3.776,273 2.791,274 3.653,275 1.953,276 8.188,277 2.741,278 3.852,279 2.788,280 5.457,281 3.562,282 2.564,283 3.084,284 0.263,285 7.204,286 2.555,287 3.423,288 2.381,289 5.105,290 3.132,291 2.152,292 2.668,294 6.229,295 2.106,296 2.849,297 2.118,298 3.867,299 2.832,300 1.834,301 1.852,303 3.653,304 1.831,305 2.53,306 1.838,307 3.821,308 2.425,309 1.428,310 1.5,312 2.96,313 1.423,314 2.5,315 1.424,316 3.423,317 2.24,318 1.254,319 1.482,321 2.691,322 1.219,323 2.44,324 1,325 3.414,326 2,327 1,328 1.418,330 2.275,331 1,332 1.894,333 0.983,334 2.923,335 1.84,336 0.841,337 0.871,339 1.546,340 0.84,341 1.418,342 0.907,343 2.644,344 1.259,345 0.281,346 0.299,347 0.501,348 0.27,349 1.196,350 0.577,351 2.257,352 1.031,353 0.146,354 0.15,355 0.205,356 0.129,357 1.078,358 0.198,359 2,360 0.855,361 -0.14,362 -0.162,363 -0.271,364 -0.139,365 0.654,366 -0.235,367 1.909,368 0.449,369 -0.558,370 -0.611,371 -1.093,372 -0.559,373 0.5,374 -0.586,375 1.585,376 0.116,377 -0.896,378 -1.051,379 -1.933,380 -0.902,381 0.338,382 -0.849,383 1.347,385 -1,386 -1.355,387 -2.553,388 -1,389 -0.152,390 -1,391 1.207,392 -0.262,393 -1.266,394 -1.425,395 -2.835,396 -1.23,397 9.967,398 0.475,399 0.332,400 0.016,401 19.75,402 0.94,403 8,404 0.381,405 11.75,406 0.56,407 19.69,408 0.938,409 25.433,410 0.519,411 12.645,412 0.602,413 3.424,414 0.163,415 6.744,416 0.321,417 0.157,419 0.201,420 0.925,421 1.325,422 1.099,423 1.241,424 0.849,425 1.191,426 0.681,427 1.37,428 1.078,429 1.315,430 0.684,431 1.259,432 0.734,433 1.003,434 0.931,435 1.018,436 0.718,437 1.001,438 0.971,439 0.884,440 1.005,441 0.92,442 0.968,443 0.959,444 0.745,445 0.976,446 0.866,447 0.98,448 0.793,449 0.949,450 0.723,451 1.116,452 0.99,453 1.123,454 0.716,455 1.092,456 0.711,457 1.015,458 0.937,459 1.044,460 0.641,461 1.02,462 0.888,463 0.96,464 0.941,465 0.975,466 0.9,467 0.97,468 3.5,469 0.07,470 1.778,471 0.625,472 0.702,473 0.375,474 0.263,475 0.208,476 0.127,477 0.086,478 4531,479 9725,480 1.893,481 57.1,482 17,483 7,486 4,490 1.622,491 1.775,492 3.573,493 1.827,494 1,495 1,497 67.028,498 1.368,499 3.111,500 4.109,501 4.62,502 4.905,503 4.987,504 3.106,505 4.107,506 4.353,507 3.73,508 783.351,509 7.415,510 9165.44,511 1,512 1,513 275.121,514 1.34,515 4.32,516 0.167,517 0.007,518 0.071,519 0.025,520 0.033,521 0.019,522 0.015,523 0.014,524 0.01,525 0.007,526 0.367,527 0.17,528 1,529 2.585,530 99.576,531 -0.097,532 0.065,533 -0.023,534 0.057,535 -0.093,536 0.032,537 0.063,538 -0.18,539 -0.074,540 -0.146,541 0.009,542 -0.134,543 0.152,544 0.016,545 0.048,546 -0.02,547 0.151,548 -0.005,549 0.104,550 0.083,551 -0.016,552 0.036,553 0.118,554 0.002,555 0.011,556 -0.021,557 0.073,558 0.03,559 0.03,560 0.054,561 -0.011,562 -0.099,563 -0.039,564 -0.094,565 0.008,566 -0.072,567 0.003,568 -0.057,569 -0.002,570 -0.059,571 0.003,572 -0.033,573 -0.035,574 -0.025,575 0.006,576 0.003,577 -0.054,578 0.008,579 2.201,580 4.529,581 0.286,582 23.891,583 0.987,584 1.139,585 3.373,586 11.378,587 0.609,588 3.091,589 3.258,590 3.367,591 3.401,592 3.526,593 3.466,594 3.497,595 3.526,596 3.434,597 3.219,598 6.993,599 0.558,600 292.47,601 3.091,602 4.533,603 5.293,604 6.08,605 6.864,606 7.661,607 8.456,608 9.259,609 10.062,610 10.87,611 4.1,612 1,617 1,623 4,628 2,630 6,638 49,639 7,640 1,641 21,642 49,643 17,644 6,645 2,646 4,648 1,649 1,652 2,657 8,659 7,660 10,662 1,664 1,667 1,668 1,669 1,670 28,671 4,672 4,673 4,677 2,681 1,682 2,683 1,693 1,700 1,704 1,708 1,710 1,712 1,715 21,716 1,717 1,718 8,719 1,721 1,731 4.1,732 1,734 1,737 11.833,738 8.367,739 5.111,740 3.308,741 1.217,742 1.205,743 0.886,744 8.913,745 7.152,746 3.258,747 3.624,748 3.975,749 4.329,750 4.78,751 4.742,752 4.941,753 5.084,754 4.906,755 4.67,756 1,757 25,758 7.805,759 3.084,760 7.778,761 15.176,762 11.818,763 2.278,764 47.833,765 0.001,767 1,768 282.506,769 75.119,770 50.908,772 67.828,774 75.119,775 350.335,776 50.908,777 8.825,778 68.65,779 80.588,780 29.85,781 5.942,783 282.506,785 282.506,786 126.027,787 67.828,790 282.506,791 25.145,792 42.683,793 77.475,794 48.552,797 282.506,798 118.736,799 75.119,801 282.506,802 28.389,803 46.73,804 18.011,805 100.725,806 282.506,807 118.736,808 75.119,810 0.54,811 0.3,812 0.135,813 0.069,814 7,815 4,816 0.204,817 10,819 1,820 3.46,821 130.064,823 6,824 88.239,826 17.83,827 10.498,828 7.373,830 118.736,831 7.834,836 2.005,838 93.591,839 476.362,840 25,842 11.529,845 -0.36,846 48.345,847 55.813,848 0.244,849 0.554,850 0.732,851 0.823,852 0.874,853 0.888,854 4.413,855 0.841,856 5.198,857 2.275,858 3.932,859 4.304,860 2.027,861 5.832,862 3.908,863 5.51,864 0.281,865 6.655,866 1.546,867 3.219,868 3.829,869 1.593,870 6.418,871 3.19,872 6.735,873 0.146,874 8.214,875 0.501,876 5.352,877 6.225,878 3.019,879 9.415,880 5.302,881 7.996,882 -0.14,883 9.834,884 0.205,885 5.485,886 6.572,887 3.114,888 10.821,889 5.422,890 9.293,891 -0.558,892 11.492,893 -0.271,894 7.026,895 8.455,896 4.198,897 13.289,898 6.949,899 10.612,900 -0.896,901 13.176,902 -1.093,903 7.574,904 9.171,905 4.555,906 15.031,907 7.481,908 11.947,909 -1,910 14.877,911 -1.933,912 8.843,913 10.829,914 5.456,915 17.293,916 8.738,917 2.791,918 -1.266,919 16.592,920 -2.553,921 9.607,922 11.743,923 5.952,924 19.196,925 9.484,926 2.564,927 8.188,928 18.315,929 -2.835,930 10.743,931 13.278,932 6.751,933 21.366,934 10.608,935 2.152,936 7.204,937 20.045,938 3.653,939 11.623,940 14.314,941 7.324,942 23.353,943 11.469,944 1.834,945 6.229,946 21.781,947 3.084,948 12.694,949 15.772,950 8.066,951 25.481,952 12.526,953 1.428,954 3.653,955 23.521,956 2.668,957 13.634,958 16.888,959 8.682,960 27.514,961 13.448,962 1.254,963 2.96,964 25.264,965 1.852,966 14.674,967 18.295,968 9.392,969 29.622,970 14.473,971 1,972 2.691,973 27.011,974 1.5,975 15.647,976 19.467,977 10.031,978 31.682,979 15.427,980 4844,981 7310,982 13.405,983 29.819,984 28.572,985 29.928,986 30.286,987 28.479,988 28.581,989 33.952,990 4.432,991 70.904,992 28.228,993 5.007,994 5.72,995 5.881,996 4.776,997 4.791,998 6.653,999 3.416,1000 14.167,1001 4.741,1002 12.003,1003 1.361,1004 1.425,1005 1.442,1006 1.356,1007 1.361,1008 1.617,1009 0.211,1010 3.376,1011 1.344,1012 3.961,1013 3.997,1014 3.89,1015 3.886,1016 7.429,1017 3.881,1018 3.759,1019 3.823,1020 3.61,1021 3.638,1022 6.456,1023 3.619,1024 3.68,1025 3.729,1026 3.569,1027 3.477,1028 4.97,1029 3.495,1030 3.526,1031 3.6,1032 3.34,1033 3.384,1034 4.743,1035 3.365,1036 3.262,1037 3.345,1038 3.081,1039 3.093,1040 4.216,1041 3.074,1042 3.091,1043 3.158,1044 2.917,1045 2.825,1046 4.048,1047 2.83,1048 2.891,1049 2.981,1050 2.687,1051 2.735,1052 3.87,1053 2.715,1054 2.854,1055 2.925,1056 2.675,1057 2.629,1058 3.674,1059 2.636,1060 0.195,1061 0.177,1062 0.282,1063 0.18,1064 0.133,1065 4.089,1066 0.174,1067 3.72,1068 0.093,1069 5.917,1070 0.39,1071 3.776,1072 0.131,1073 2.791,1074 3.653,1075 1.953,1076 8.188,1077 2.741,1078 1.937,1079 1.906,1080 2.085,1081 2.038,1082 1.41,1083 2.052,1084 1.775,1085 1.714,1086 2.008,1087 1.935,1088 1.245,1089 1.964,1090 1.611,1091 1.559,1092 1.853,1093 1.845,1094 1.066,1095 1.841,1096 1.546,1097 1.48,1098 1.781,1099 1.734,1100 0.969,1101 1.768,1102 1.281,1103 1.201,1104 1.609,1105 1.499,1106 0.833,1107 1.539,1108 1.022,1109 0.946,1110 1.35,1111 1.333,1112 0.558,1113 1.323,1114 0.886,1115 0.821,1116 1.207,1117 1.199,1118 0.3,1119 1.216,1120 0.862,1121 0.782,1122 1.181,1123 1.128,1124 0.218,1125 1.141,1126 3.761,1128 4.963,1130 6.347,1132 7.816,1134 9.33,1135 2.23,1138 5.448,1139 8.816,1140 8.512,1141 2.686,1143 -0.868,1148 27.321,1149 67.028,1150 152.418,1151 201.346,1152 226.366,1153 240.366,1154 244.366,1155 58.865,1156 5.935,1157 75.35,1158 75.35,1159 6,1160 11.462,1161 3,1162 2.322,1163 54.366,1164 88,1165 96,1166 0.305,1167 176.318,1168 308.42,1169 421.977,1170 2500,1172 15.502,1173 0.738,1174 0.618,1175 15.502,1176 12.976,1177 10.168,1178 0.484,1179 0.378,1180 7.869,1181 9.922,1182 7.672,1183 6.495,1184 10.168,1185 7.933,1186 8.042,1187 0.322,1188 0.22,1189 8.042,1190 5.493,1191 6.253,1192 0.223,1193 0.128,1194 6.253,1195 3.574,1196 4.13,1197 0.142,1198 0.075,1199 4.13,1200 2.182,1201 3.036,1202 0.092,1203 0.044,1204 3.036,1205 1.456,1206 0.502,1207 62.991,1208 0.273,1209 21.89,1210 0.773,1211 92,1212 235.53,1213 98.734,1214 228.57,1215 298.16,1216 212,1217 99,1218 201.039,1219 105.458,1220 205.282,1221 292.32,1222 193,1223 5.301} {0 CHEMBL575748,1 1.349,2 12.364,3 3.749,4 14.052,5 90.279,6 5.894,7 0.273,8 3.973,9 4.124,10 3.287,11 3.452,12 4.952,13 3.379,14 4.534,15 4.751,16 3.555,17 3.821,18 5.434,19 3.696,20 4.862,21 5.135,22 3.614,23 3.94,24 5.838,25 3.783,26 4.875,27 5.166,28 3.495,29 3.887,30 5.867,31 3.711,32 4.77,33 5.067,34 3.357,35 3.799,36 5.624,37 3.618,38 4.616,39 4.897,40 3.303,41 3.73,42 5.457,43 3.553,44 4.593,45 4.881,46 3.183,47 3.675,48 5.403,49 3.479,50 4.511,51 4.811,52 3.008,53 3.54,54 5.273,55 3.332,56 0.076,57 0.695,58 12.848,59 5.123,60 11.708,61 7.381,62 0.174,63 1.061,64 21.736,65 8.289,66 23.509,67 12.177,68 0.408,69 1.265,70 29.656,71 9.956,72 66.865,73 15.014,74 0.469,75 1.22,76 29.781,77 9.551,78 78.475,79 14.693,80 0.273,81 1.089,82 26.256,83 8.999,84 47.718,85 13.55,86 0.176,87 1.004,88 22.55,89 8.182,90 32.282,91 12.275,92 0.173,93 0.953,94 21.894,95 7.955,96 30.139,97 11.917,98 0.182,99 0.836,100 19.963,101 7.128,102 28.311,103 10.686,104 45,105 27,106 0.232,107 0.53,108 0.708,109 0.811,110 0.857,111 0.871,112 3.144,113 1.142,114 -4.84,115 -4.75,116 -4.46,117 34.6,118 2,119 7,124 2,130 4,131 1,132 1,142 1,146 1,147 1,148 1,151 12,154 1,156 3,158 13,162 1,163 1,164 2,165 3,166 2,167 12,168 1,170 3,172 1,173 1,174 2,176 9,179 2,183 3,185 8,186 2,188 1,191 5,193 9,194 2,196 1,199 4,200 8,201 1,203 1,205 3,206 6,207 1,209 1,213 3,214 5,215 1,216 676,217 14.527,218 14.527,219 14.527,220 14.527,221 14.527,222 13.673,223 13.448,224 9.148,225 14.623,226 10.796,227 10.796,228 10.796,229 10.796,230 10.796,231 9.459,232 13.896,233 4.332,234 10.952,235 4.351,236 2.623,237 1.587,238 0.991,239 0.721,240 0.644,241 3.786,243 1,244 1,245 1,246 528,247 4.243,251 86.794,256 2.273,257 20.31,258 1,259 1,260 0.83,261 0.83,262 1,263 1,264 1,265 1,266 0.95,267 47,268 272,269 4.109,270 3.748,271 6.214,272 3.87,273 2.89,274 3.654,275 1.953,276 8.861,277 2.825,278 3.924,279 2.795,280 5.498,281 3.61,282 2.62,283 3.145,284 0.263,285 7.362,286 2.595,287 3.465,288 2.595,289 5.167,290 3.192,291 2.218,292 2.709,294 6.423,295 2.156,296 2.974,297 2.338,298 4.55,299 2.84,300 1.842,301 1.982,303 4.329,304 1.838,305 2.846,306 1.838,307 3.84,308 2.688,309 1.696,310 1.849,312 3.646,313 1.663,314 2.5,315 1.424,316 3.436,317 2.411,318 1.411,319 1.5,321 2.736,322 1.41,323 2.447,324 1.314,325 3.414,326 2,327 1,328 1.445,330 2.275,331 1,332 1.899,333 1,334 3.144,335 1.849,336 0.853,337 0.879,339 1.609,340 0.849,341 1.696,342 0.912,343 2.865,344 1.536,345 0.595,346 0.628,347 1.294,348 0.554,349 1.409,350 0.58,351 2.379,352 1.234,353 0.234,354 0.252,355 0.43,356 0.233,357 1.078,358 0.199,359 2.169,360 0.871,361 -0.132,362 -0.154,363 -0.263,364 -0.132,365 0.655,366 -0.235,367 2,368 0.45,369 -0.558,370 -0.611,371 -1.094,372 -0.559,373 0.5,374 -0.586,375 1.661,376 0.116,377 -0.896,378 -1,379 -1.933,380 -0.889,381 0.339,382 -0.597,383 1.52,385 -1,386 -1.051,387 -2,388 -0.902,390 -0.855,391 1.278,392 -0.099,393 -1,394 -1.379,395 -2.554,396 -1,397 10.467,398 0.476,399 0.459,400 0.021,401 20.25,402 0.92,403 8,404 0.364,405 12.25,406 0.557,407 21.968,408 0.999,409 26.733,410 0.514,411 13.251,412 0.602,413 3.38,414 0.154,415 7.161,416 0.326,417 0.197,419 0.239,420 0.925,421 1.334,422 1.115,423 1.256,424 0.873,425 1.207,426 0.646,427 1.377,428 1.044,429 1.321,430 0.645,431 1.244,432 0.957,433 1.029,434 0.988,435 1.021,436 0.917,437 1.013,438 0.98,439 0.936,440 1.006,441 0.946,442 0.973,443 0.968,444 1.054,445 0.893,446 0.933,447 0.892,448 1.114,449 0.9,450 0.718,451 1.078,452 0.96,453 1.079,454 0.705,455 1.05,456 0.717,457 1.08,458 0.995,459 1.114,460 0.655,461 1.09,462 0.832,463 0.993,464 0.962,465 1.017,466 0.855,467 1.011,468 4,469 0.087,470 2,471 0.875,472 0.702,473 0.486,474 0.344,475 0.224,476 0.172,477 0.106,478 5108,479 10450,480 1.873,481 57.7,482 17,483 6,486 4,488 3,490 1.635,491 1.737,492 3.582,493 1.78,495 1,497 70.157,498 1.349,499 3.078,500 4.113,501 4.71,502 4.979,503 5.056,504 3.106,505 3.482,506 4.421,507 3.764,508 869.524,509 7.552,510 10528,511 1,512 1,513 296.423,514 1.449,515 4.374,516 0.182,517 0.008,518 0.074,519 0.032,520 0.031,521 0.023,522 0.017,523 0.013,524 0.012,525 0.008,526 0.401,528 1,529 2.555,530 105.95,531 -0.092,532 0.062,533 -0.021,534 0.053,535 -0.11,536 0.03,537 0.098,538 -0.184,539 -0.029,540 -0.147,541 0.047,542 -0.112,543 0.11,544 -0.008,545 0.019,546 -0.021,547 0.116,548 -0.018,549 0.113,550 0.044,551 -0.008,552 0.003,553 0.131,554 -0.012,555 -0.062,556 0.051,557 0.037,558 0.076,559 -0.032,560 0.069,561 -0.005,562 -0.054,563 -0.003,564 -0.046,565 0.019,566 -0.026,567 -0.01,568 -0.08,569 -0.049,570 -0.094,571 -0.01,572 -0.076,573 -0.029,574 -0.051,575 -0.02,576 -0.031,577 -0.057,578 -0.027,579 2.234,580 4.74,581 0.273,582 25.339,583 0.985,584 1.139,585 3.611,586 13.037,587 0.607,588 3.135,589 3.332,590 3.434,591 3.466,592 3.555,593 3.526,594 3.555,595 3.584,596 3.555,597 3.367,598 7.171,599 0.555,600 306.5,601 3.135,602 4.595,603 5.361,604 6.159,605 6.948,606 7.755,607 8.554,608 9.368,609 10.174,610 10.991,611 3.8,612 1,617 1,623 4,628 2,630 6,638 52,639 7,640 1,641 22,642 52,643 18,644 6,645 2,646 4,648 1,649 1,652 2,657 9,659 7,660 11,662 1,664 1,667 1,669 1,670 30,671 4,672 4,673 4,677 2,681 1,682 2,684 1,693 1,700 1,704 1,708 1,710 1,712 2,715 22,716 1,717 1,718 7,719 1,721 2,731 3.8,732 1,734 1,737 12.667,738 9.2,739 5.222,740 3.553,741 1.207,742 1.2,743 0.875,744 8.982,745 7.23,746 3.296,747 3.676,748 4.012,749 4.368,750 4.788,751 4.768,752 4.972,753 5.125,754 5.023,755 4.857,756 1,757 27,758 8.2,759 3.274,760 7.758,761 15.933,762 12.493,763 2.258,764 49.667,765 0.001,767 1,768 306.049,769 83.944,770 50.908,772 67.828,774 83.944,775 373.877,776 50.908,777 17.65,778 68.65,779 80.588,780 29.85,781 5.942,783 306.049,785 306.049,786 134.852,787 67.828,790 270.735,791 60.458,792 42.683,793 86.3,794 48.552,797 306.049,798 118.736,799 83.944,801 306.049,802 28.389,803 55.555,804 18.011,805 100.725,806 306.049,807 118.736,808 83.944,810 0.552,811 0.3,812 0.133,813 0.065,814 8,815 5,816 0.192,817 10,819 1,820 3.516,821 140.405,823 6,824 94.107,826 18.827,827 10.496,828 7.57,830 118.736,831 7.85,836 2.001,838 93.591,839 508.729,840 26,842 11.74,845 -0.362,846 51.229,847 59.228,848 0.237,849 0.54,850 0.722,851 0.826,852 0.873,853 0.887,854 4.472,855 0.853,856 5.293,857 2.275,858 4.007,859 4.357,860 2.027,861 5.958,862 3.977,863 5.584,864 0.595,865 6.777,866 1.609,867 3.434,868 3.951,869 1.593,870 6.629,871 3.37,872 6.818,873 0.234,874 8.365,875 1.294,876 5.46,877 6.271,878 3.019,879 9.642,880 5.396,881 8.087,882 -0.132,883 10.016,884 0.43,885 5.707,886 6.653,887 3.114,888 11.128,889 5.604,890 9.389,891 -0.558,892 11.707,893 -0.263,894 7.186,895 8.497,896 4.198,897 13.646,898 7.083,899 10.713,900 -0.896,901 13.426,902 -1.094,903 7.827,904 9.232,905 4.555,906 15.473,907 7.686,908 12.054,909 -1,910 15.164,911 -1.933,912 9.068,913 10.869,914 5.456,915 17.802,916 8.923,917 2.89,918 -1,919 16.916,920 -2,921 9.908,922 11.793,923 5.952,924 19.793,925 9.729,926 2.62,927 8.861,928 18.681,929 -2.554,930 11.04,931 13.315,932 6.751,933 22.039,934 10.85,935 2.218,936 7.362,937 20.454,938 3.654,939 11.98,940 14.356,941 7.324,942 24.115,943 11.761,944 1.842,945 6.423,946 22.235,947 3.145,948 13.063,949 15.806,950 8.066,951 26.324,952 12.828,953 1.696,954 4.329,955 24.022,956 2.709,957 14.055,958 16.925,959 8.682,960 28.445,961 13.793,962 1.411,963 3.646,964 25.814,965 1.982,966 15.116,967 18.325,968 9.392,969 30.637,970 14.836,971 1,972 2.736,973 27.611,974 1.849,975 16.135,976 19.498,977 10.031,978 32.784,979 15.829,980 5456,981 8010,982 13.811,983 31.58,984 30.899,985 31.798,986 32.075,987 30.732,988 30.719,989 36.085,990 4.432,991 77.931,992 30.243,993 5.028,994 5.748,995 6.177,996 4.87,997 4.89,998 6.654,999 3.416,1000 15.309,1001 4.825,1002 13.697,1003 1.405,1004 1.445,1005 1.458,1006 1.397,1007 1.396,1008 1.64,1009 0.201,1010 3.542,1011 1.375,1012 3.963,1013 4,1014 3.892,1015 3.887,1016 7.429,1017 3.882,1018 3.761,1019 3.824,1020 3.636,1021 3.638,1022 6.45,1023 3.619,1024 3.722,1025 3.77,1026 3.584,1027 3.542,1028 4.971,1029 3.555,1030 3.533,1031 3.607,1032 3.348,1033 3.395,1034 4.743,1035 3.373,1036 3.306,1037 3.378,1038 3.154,1039 3.113,1040 4.216,1041 3.103,1042 3.191,1043 3.273,1044 2.985,1045 2.963,1046 4.048,1047 2.965,1048 2.954,1049 3.07,1050 2.728,1051 2.746,1052 3.874,1053 2.726,1054 2.854,1055 2.928,1056 2.687,1057 2.735,1058 3.789,1059 2.715,1060 0.187,1061 0.17,1062 0.282,1063 0.176,1064 0.131,1065 4.109,1066 0.166,1067 3.748,1068 0.089,1069 6.214,1070 0.403,1071 3.87,1072 0.128,1073 2.89,1074 3.654,1075 1.953,1076 8.861,1077 2.825,1078 1.937,1079 1.906,1080 2.085,1081 2.04,1082 1.41,1083 2.053,1084 1.776,1085 1.715,1086 2.008,1087 1.938,1088 1.246,1089 1.965,1090 1.665,1091 1.618,1092 1.88,1093 1.878,1094 1.088,1095 1.882,1096 1.561,1097 1.491,1098 1.837,1099 1.742,1100 1.046,1101 1.779,1102 1.296,1103 1.219,1104 1.615,1105 1.53,1106 0.837,1107 1.555,1108 1.166,1109 1.091,1110 1.474,1111 1.445,1112 0.566,1113 1.469,1114 0.961,1115 0.867,1116 1.338,1117 1.251,1118 0.486,1119 1.274,1120 0.886,1121 0.821,1122 1.181,1123 1.131,1124 0.288,1125 1.152,1126 3.807,1128 5.03,1130 6.431,1132 7.915,1134 9.443,1135 3.738,1138 5.591,1139 9.302,1140 8.844,1141 2.717,1143 -1.755,1148 28.848,1149 70.157,1150 160.051,1151 213.894,1152 244.913,1153 258.913,1154 262.913,1155 68.527,1156 6.023,1157 75.35,1158 75.35,1159 6,1160 11.577,1161 3,1162 2.322,1163 58.675,1164 96,1165 104,1166 0.306,1167 185.911,1168 325.72,1169 445.382,1170 2804,1172 16.372,1173 0.744,1174 0.629,1175 16.372,1176 13.847,1177 10.541,1178 0.479,1179 0.381,1180 8.318,1181 10.302,1182 8.066,1183 6.841,1184 10.541,1185 8.377,1186 8.759,1187 0.324,1188 0.221,1189 8.759,1190 5.97,1191 6.587,1192 0.22,1193 0.129,1194 6.587,1195 3.863,1196 4.367,1197 0.141,1198 0.074,1199 4.367,1200 2.309,1201 3.072,1202 0.09,1203 0.044,1204 3.072,1205 1.483,1206 0.503,1207 65.097,1208 0.269,1209 22.749,1210 0.776,1211 98,1212 241.53,1213 105.399,1214 235.85,1215 309.06,1216 218,1217 106,1218 212.796,1219 112.957,1220 216.742,1221 309.04,1222 204,1223 5.678} {0 CHEMBL575772,1 1.349,2 12.818,3 3.434,4 11.789,5 90.726,6 5.894,7 0.273,8 3.973,9 4.124,10 3.287,11 3.452,12 4.949,13 3.379,14 4.534,15 4.751,16 3.522,17 3.82,18 5.416,19 3.687,20 4.853,21 5.136,22 3.565,23 3.933,24 5.734,25 3.765,26 4.849,27 5.14,28 3.476,29 3.876,30 5.76,31 3.703,32 4.768,33 5.056,34 3.422,35 3.802,36 5.754,37 3.627,38 4.638,39 4.921,40 3.266,41 3.733,42 5.462,43 3.549,44 4.585,45 4.883,46 3.171,47 3.667,48 5.339,49 3.466,50 4.495,51 4.787,52 3.067,53 3.534,54 5.314,55 3.343,56 0.076,57 0.695,58 12.848,59 5.123,60 9.962,61 7.381,62 0.182,63 1.061,64 21.691,65 8.301,66 21.424,67 12.198,68 0.331,69 1.26,70 28.967,71 9.953,72 50.073,73 15.073,74 0.347,75 1.2,76 28.855,77 9.443,78 55.616,79 14.465,80 0.42,81 1.089,82 26.571,83 9.001,84 71.493,85 13.521,86 0.208,87 1.014,88 23.081,89 8.195,90 33.764,91 12.356,92 0.149,93 0.948,94 21.499,95 7.951,96 24.454,97 11.949,98 0.182,99 0.827,100 19.854,101 6.996,102 30.012,103 10.458,104 39,105 26,106 0.232,107 0.523,108 0.703,109 0.814,110 0.86,111 0.873,112 3.144,113 1.15,114 -4.84,115 -4.75,116 -4.46,117 34.6,118 1,119 8,123 1,124 1,130 4,131 1,132 1,142 1,146 1,147 1,148 1,151 12,154 1,156 4,158 13,159 1,161 1,162 1,163 1,164 1,165 3,166 1,167 12,170 2,173 1,174 1,175 1,176 9,179 2,181 1,182 1,183 3,185 10,186 2,188 1,191 3,193 9,194 2,196 1,199 4,200 7,201 1,203 1,205 4,206 6,207 1,209 1,213 3,214 5,215 1,216 692,217 14.897,218 14.897,219 14.897,220 14.897,221 14.897,222 14.043,223 13.692,224 9.615,225 14.984,226 10.798,227 10.798,228 10.798,229 10.798,230 10.798,231 9.457,232 14.592,233 4.499,234 10.935,235 4.351,236 2.664,237 1.616,238 0.976,239 0.707,240 0.63,241 3.79,243 1,244 1,245 1,246 548,247 4.123,251 86.911,256 2.289,257 19.553,258 1,259 1,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.86,267 47,268 282,269 4.089,270 3.718,271 5.925,272 3.782,273 2.795,274 3.653,275 1.953,276 8.229,277 2.751,278 3.856,279 2.788,280 5.459,281 3.568,282 2.569,283 3.087,284 0.263,285 7.222,286 2.563,287 3.426,288 2.379,289 5.108,290 3.139,291 2.159,292 2.671,294 6.254,295 2.114,296 2.85,297 2.109,298 3.947,299 2.833,300 1.834,301 1.852,303 3.656,304 1.832,305 2.636,306 1.838,307 3.836,308 2.45,309 1.458,310 1.596,312 3.265,313 1.442,314 2.5,315 1.448,316 3.427,317 2.377,318 1.382,319 1.5,321 2.722,322 1.367,323 2.445,324 1.424,325 3.414,326 2,327 1,328 1.441,330 2.275,331 1,332 1.903,333 1,334 2.99,335 1.85,336 0.861,337 0.886,339 1.572,340 0.85,341 1.84,342 0.913,343 2.825,344 1.684,345 0.75,346 0.789,347 1.265,348 0.692,349 1.412,350 0.589,351 2.368,352 1.244,353 0.244,354 0.264,355 0.449,356 0.243,357 1.078,358 0.209,359 2.168,360 0.878,361 -0.121,362 -0.14,363 -0.24,364 -0.12,365 0.657,366 -0.139,367 2,368 0.451,369 -0.548,370 -0.572,371 -0.893,372 -0.515,373 0.5,374 -0.256,375 1.657,376 0.303,377 -0.599,378 -0.63,379 -1.097,380 -0.567,381 0.424,382 -0.586,383 1.512,384 0.116,385 -0.896,386 -1.051,387 -1.933,388 -0.902,389 0.336,390 -0.859,391 1.271,393 -1,394 -1.401,395 -2.554,396 -1,397 10.467,398 0.476,399 0.332,400 0.015,401 20.25,402 0.92,403 8,404 0.364,405 12.25,406 0.557,407 21.418,408 0.974,409 26.733,410 0.514,411 12.998,412 0.591,413 3.437,414 0.156,415 7.231,416 0.329,417 0.15,419 0.191,420 0.925,421 1.334,422 1.115,423 1.256,424 0.846,425 1.207,426 0.68,427 1.376,428 1.096,429 1.327,430 0.673,431 1.273,432 0.803,433 1.014,434 0.942,435 1.004,436 0.795,437 0.991,438 1.034,439 0.955,440 0.998,441 0.961,442 1.025,443 0.968,444 0.902,445 0.917,446 0.92,447 0.92,448 0.974,449 0.927,450 0.865,451 1.041,452 1.026,453 1.046,454 0.881,455 1.052,456 0.505,457 1.06,458 0.913,459 1.092,460 0.461,461 1.052,462 0.931,463 1.015,464 0.966,465 1.034,466 0.919,467 1.012,468 3.5,469 0.07,470 1.778,471 0.75,472 0.782,473 0.375,474 0.263,475 0.208,476 0.14,477 0.101,478 5188,479 10786,480 1.898,481 57.7,482 17,483 7,486 4,489 2,490 1.636,491 1.784,492 3.642,493 1.78,495 1,497 70.157,498 1.349,499 3.037,500 4.084,501 4.724,502 4.994,503 5.071,504 3.14,505 3.573,506 4.419,507 3.794,508 876.423,509 7.552,510 10671.2,511 1,512 1,513 296.423,514 1.309,515 4.391,516 0.159,517 0.006,518 0.068,519 0.029,520 0.034,521 0.017,522 0.014,523 0.012,524 0.009,525 0.008,526 0.357,528 0.88,529 2.628,530 106.226,531 -0.092,532 0.062,533 -0.021,534 0.053,535 -0.086,536 0.03,537 0.063,538 -0.184,539 -0.082,540 -0.153,541 0.018,542 -0.142,543 0.074,544 0.002,545 0.037,546 -0.006,547 0.066,548 0.006,549 -0.003,550 0.03,551 -0.007,552 -0.001,553 0.025,554 -0.003,555 0.168,556 0.037,557 0.064,558 0.054,559 0.17,560 0.047,561 -0.063,562 -0.026,563 -0.06,564 -0.031,565 -0.057,566 -0.043,567 0.042,568 -0.067,569 0.011,570 -0.073,571 0.035,572 -0.037,573 -0.027,574 -0.062,575 -0.006,576 -0.042,577 -0.025,578 -0.024,579 1.993,580 4.737,581 0.273,582 26.132,583 0.985,584 1.139,585 3.611,586 13.037,587 0.607,588 3.135,589 3.296,590 3.401,591 3.466,592 3.584,593 3.497,594 3.555,595 3.584,596 3.497,597 3.367,598 7.27,599 0.555,600 306.5,601 3.135,602 4.575,603 5.333,604 6.12,605 6.903,606 7.7,607 8.496,608 9.3,609 10.103,610 10.911,611 3.8,612 1,617 1,623 4,628 2,630 6,638 52,639 7,640 1,641 22,642 52,643 18,644 6,645 2,646 4,648 1,649 1,652 2,657 9,659 7,660 11,662 1,664 1,667 1,668 1,669 1,670 30,671 4,672 4,673 4,677 2,681 1,682 2,683 1,693 1,700 1,704 1,708 1,710 1,712 1,715 22,716 1,717 1,718 9,719 1,721 1,731 3.8,732 1,734 1,737 12.333,738 8.867,739 5.361,740 3.558,741 1.207,742 1.2,743 0.886,744 9.722,745 7.23,746 3.296,747 3.651,748 3.994,749 4.355,750 4.805,751 4.75,752 4.962,753 5.111,754 4.955,755 4.817,756 0.889,757 26,758 8.185,759 3.224,760 7.742,761 15.992,762 12.484,763 2.242,764 49.333,765 0.001,767 1,768 306.049,769 77.653,770 50.908,772 67.828,774 77.653,775 373.877,776 50.908,777 8.825,778 71.184,779 80.588,780 29.85,781 5.942,783 306.049,785 306.049,786 128.561,787 67.828,790 282.506,791 48.687,792 42.683,793 80.009,794 48.552,797 306.049,798 118.736,799 77.653,801 306.049,802 30.923,803 46.73,804 18.011,805 100.725,806 306.049,807 118.736,808 77.653,810 0.535,811 0.293,812 0.141,813 0.074,814 7,815 4,816 0.212,817 11,819 1,820 3.57,821 138.614,823 6,824 94.107,826 18.827,827 11.36,828 8.125,830 118.736,831 7.935,836 2.054,838 93.591,839 502.438,840 26,842 11.737,845 -0.252,846 51.229,847 59.228,848 0.237,849 0.533,850 0.716,851 0.829,852 0.876,853 0.889,854 4.449,855 0.861,856 5.231,857 2.275,858 3.97,859 4.331,860 2.027,861 5.861,862 3.947,863 5.538,864 0.75,865 6.681,866 1.572,867 3.219,868 3.829,869 1.593,870 6.418,871 3.19,872 6.757,873 0.244,874 8.234,875 1.265,876 5.38,877 6.237,878 3.019,879 9.441,880 5.335,881 8.013,882 -0.121,883 9.85,884 0.449,885 5.485,886 6.572,887 3.114,888 10.835,889 5.43,890 9.306,891 -0.548,892 11.506,893 -0.24,894 7.048,895 8.46,896 4.198,897 13.319,898 6.98,899 10.623,900 -0.599,901 13.188,902 -0.893,903 7.581,904 9.173,905 4.555,906 15.058,907 7.501,908 11.957,909 -0.896,910 14.889,911 -1.097,912 8.863,913 10.832,914 5.456,915 17.33,916 8.77,917 2.795,918 -1,919 16.603,920 -1.933,921 9.621,922 11.745,923 5.952,924 19.234,925 9.514,926 2.569,927 8.229,928 18.327,929 -2.554,930 10.764,931 13.281,932 6.751,933 21.412,934 10.645,935 2.159,936 7.222,937 20.058,938 3.653,939 11.641,940 14.315,941 7.324,942 23.401,943 11.506,944 1.834,945 6.254,946 21.794,947 3.087,948 12.716,949 15.774,950 8.066,951 25.536,952 12.569,953 1.458,954 3.656,955 23.535,956 2.671,957 13.656,958 16.89,959 8.682,960 27.573,961 13.493,962 1.382,963 3.265,964 25.28,965 1.852,966 14.698,967 18.296,968 9.392,969 29.687,970 14.522,971 1,972 2.722,973 27.027,974 1.596,975 15.673,976 19.468,977 10.031,978 31.751,979 15.48,980 5531,981 8173,982 14.099,983 31.58,984 30.278,985 31.117,986 31.325,987 30.129,988 30.106,989 35.478,990 4.432,991 73.816,992 29.709,993 5.009,994 5.718,995 5.888,996 4.782,997 4.795,998 6.653,999 3.416,1000 14.264,1001 4.751,1002 12.391,1003 1.376,1004 1.414,1005 1.424,1006 1.369,1007 1.368,1008 1.613,1009 0.201,1010 3.355,1011 1.35,1012 3.962,1013 4,1014 3.891,1015 3.887,1016 7.429,1017 3.882,1018 3.761,1019 3.824,1020 3.625,1021 3.638,1022 6.456,1023 3.619,1024 3.717,1025 3.77,1026 3.581,1027 3.543,1028 4.982,1029 3.551,1030 3.533,1031 3.607,1032 3.347,1033 3.395,1034 4.743,1035 3.373,1036 3.317,1037 3.381,1038 3.169,1039 3.113,1040 4.216,1041 3.105,1042 3.205,1043 3.281,1044 3.001,1045 2.966,1046 4.048,1047 2.976,1048 2.97,1049 3.076,1050 2.761,1051 2.748,1052 3.873,1053 2.733,1054 2.854,1055 2.929,1056 2.687,1057 2.735,1058 3.674,1059 2.715,1060 0.186,1061 0.169,1062 0.269,1063 0.172,1064 0.127,1065 4.089,1066 0.166,1067 3.718,1068 0.089,1069 5.925,1070 0.374,1071 3.782,1072 0.125,1073 2.795,1074 3.653,1075 1.953,1076 8.229,1077 2.751,1078 1.937,1079 1.906,1080 2.085,1081 2.04,1082 1.41,1083 2.053,1084 1.776,1085 1.715,1086 2.009,1087 1.938,1088 1.246,1089 1.966,1090 1.671,1091 1.619,1092 1.889,1093 1.877,1094 1.16,1095 1.886,1096 1.561,1097 1.491,1098 1.838,1099 1.742,1100 1.057,1101 1.779,1102 1.295,1103 1.219,1104 1.613,1105 1.537,1106 0.838,1107 1.554,1108 1.159,1109 1.096,1110 1.433,1111 1.455,1112 0.565,1113 1.466,1114 0.961,1115 0.87,1116 1.334,1117 1.256,1118 0.461,1119 1.275,1120 0.886,1121 0.821,1122 1.181,1123 1.132,1124 0.287,1125 1.152,1126 3.807,1128 5.004,1130 6.382,1132 7.847,1134 9.36,1135 2.233,1138 5.649,1139 8.778,1140 9.089,1141 2.769,1143 -0.659,1148 28.848,1149 70.157,1150 157.909,1151 212.365,1152 245.668,1153 259.668,1154 263.668,1155 66.444,1156 6.023,1157 75.35,1158 75.35,1159 6,1160 11.503,1161 3,1162 2.322,1163 58.649,1164 97,1165 104,1166 0.302,1167 185.911,1168 325.72,1169 445.382,1170 2836,1172 16.209,1173 0.737,1174 0.622,1175 16.209,1176 13.684,1177 10.668,1178 0.485,1179 0.383,1180 8.369,1181 10.414,1182 8.165,1183 6.903,1184 10.668,1185 8.433,1186 8.422,1187 0.324,1188 0.224,1189 8.422,1190 5.823,1191 6.353,1192 0.219,1193 0.132,1194 6.353,1195 3.817,1196 4.467,1197 0.144,1198 0.076,1199 4.467,1200 2.369,1201 3.293,1202 0.094,1203 0.044,1204 3.293,1205 1.528,1206 0.497,1207 65.991,1208 0.266,1209 22.826,1210 0.762,1211 96,1212 239.53,1213 102.734,1214 232.601,1215 303.86,1216 216,1217 103,1218 205.039,1219 109.071,1220 209.076,1221 297.38,1222 197,1223 6.745} {0 CHEMBL575959,1 1.349,2 12.364,3 3.749,4 14.052,5 90.279,6 5.894,7 0.273,8 3.973,9 4.124,10 3.287,11 3.452,12 4.952,13 3.379,14 4.534,15 4.751,16 3.555,17 3.821,18 5.434,19 3.696,20 4.862,21 5.135,22 3.614,23 3.94,24 5.838,25 3.783,26 4.875,27 5.166,28 3.495,29 3.887,30 5.867,31 3.711,32 4.77,33 5.067,34 3.357,35 3.799,36 5.624,37 3.618,38 4.616,39 4.897,40 3.303,41 3.73,42 5.457,43 3.553,44 4.593,45 4.881,46 3.183,47 3.675,48 5.403,49 3.479,50 4.511,51 4.811,52 3.008,53 3.54,54 5.273,55 3.332,56 0.076,57 0.695,58 12.848,59 5.123,60 11.708,61 7.381,62 0.174,63 1.061,64 21.736,65 8.289,66 23.509,67 12.177,68 0.408,69 1.265,70 29.656,71 9.956,72 66.865,73 15.014,74 0.469,75 1.22,76 29.781,77 9.551,78 78.475,79 14.693,80 0.273,81 1.089,82 26.256,83 8.999,84 47.718,85 13.55,86 0.176,87 1.004,88 22.55,89 8.182,90 32.282,91 12.275,92 0.173,93 0.953,94 21.894,95 7.955,96 30.139,97 11.917,98 0.182,99 0.836,100 19.963,101 7.128,102 28.311,103 10.686,104 45,105 27,106 0.232,107 0.53,108 0.708,109 0.811,110 0.857,111 0.871,112 3.144,113 1.142,114 -4.84,115 -4.75,116 -4.46,117 34.6,118 2,119 7,124 2,130 4,131 1,132 1,142 1,146 1,147 1,148 1,151 12,154 1,156 3,158 13,162 1,163 1,164 2,165 3,166 2,167 12,168 1,170 3,172 1,173 1,174 2,176 9,179 2,183 3,185 8,186 2,188 1,191 5,193 9,194 2,196 1,199 4,200 8,201 1,203 1,205 3,206 6,207 1,209 1,213 3,214 5,215 1,216 676,217 14.527,218 14.527,219 14.527,220 14.527,221 14.527,222 13.673,223 13.448,224 9.148,225 14.623,226 10.796,227 10.796,228 10.796,229 10.796,230 10.796,231 9.459,232 13.896,233 4.332,234 10.952,235 4.351,236 2.623,237 1.587,238 0.991,239 0.721,240 0.644,241 3.786,243 1,244 1,245 1,246 528,247 4.243,251 86.794,256 2.273,257 20.31,258 1,259 1,260 0.83,261 0.83,262 1,263 1,264 1,265 1,266 0.95,267 47,268 272,269 4.109,270 3.748,271 6.214,272 3.87,273 2.89,274 3.654,275 1.953,276 8.861,277 2.825,278 3.924,279 2.795,280 5.498,281 3.61,282 2.62,283 3.145,284 0.263,285 7.362,286 2.595,287 3.465,288 2.595,289 5.167,290 3.192,291 2.218,292 2.709,294 6.423,295 2.156,296 2.974,297 2.338,298 4.55,299 2.84,300 1.842,301 1.982,303 4.329,304 1.838,305 2.846,306 1.838,307 3.84,308 2.688,309 1.696,310 1.849,312 3.646,313 1.663,314 2.5,315 1.424,316 3.436,317 2.411,318 1.411,319 1.5,321 2.736,322 1.41,323 2.447,324 1.314,325 3.414,326 2,327 1,328 1.445,330 2.275,331 1,332 1.899,333 1,334 3.144,335 1.849,336 0.853,337 0.879,339 1.609,340 0.849,341 1.696,342 0.912,343 2.865,344 1.536,345 0.595,346 0.628,347 1.294,348 0.554,349 1.409,350 0.58,351 2.379,352 1.234,353 0.234,354 0.252,355 0.43,356 0.233,357 1.078,358 0.199,359 2.169,360 0.871,361 -0.132,362 -0.154,363 -0.263,364 -0.132,365 0.655,366 -0.235,367 2,368 0.45,369 -0.558,370 -0.611,371 -1.094,372 -0.559,373 0.5,374 -0.586,375 1.661,376 0.116,377 -0.896,378 -1,379 -1.933,380 -0.889,381 0.339,382 -0.597,383 1.52,385 -1,386 -1.051,387 -2,388 -0.902,390 -0.855,391 1.278,392 -0.099,393 -1,394 -1.379,395 -2.554,396 -1,397 10.467,398 0.476,399 0.459,400 0.021,401 20.25,402 0.92,403 8,404 0.364,405 12.25,406 0.557,407 21.968,408 0.999,409 26.733,410 0.514,411 13.251,412 0.602,413 3.38,414 0.154,415 7.161,416 0.326,417 0.197,419 0.239,420 0.925,421 1.334,422 1.115,423 1.256,424 0.873,425 1.207,426 0.646,427 1.377,428 1.044,429 1.321,430 0.645,431 1.244,432 0.957,433 1.029,434 0.988,435 1.021,436 0.917,437 1.013,438 0.98,439 0.936,440 1.006,441 0.946,442 0.973,443 0.968,444 1.054,445 0.893,446 0.933,447 0.892,448 1.114,449 0.9,450 0.718,451 1.078,452 0.96,453 1.079,454 0.705,455 1.05,456 0.717,457 1.08,458 0.995,459 1.114,460 0.655,461 1.09,462 0.832,463 0.993,464 0.962,465 1.017,466 0.855,467 1.011,468 4,469 0.087,470 2,471 0.875,472 0.702,473 0.486,474 0.344,475 0.224,476 0.172,477 0.106,478 5108,479 10450,480 1.873,481 57.7,482 17,483 6,486 4,488 3,490 1.635,491 1.737,492 3.582,493 1.78,495 1,497 70.157,498 1.349,499 3.078,500 4.113,501 4.71,502 4.979,503 5.056,504 3.106,505 3.482,506 4.421,507 3.764,508 869.524,509 7.552,510 10528,511 1,512 1,513 296.423,514 1.449,515 4.374,516 0.182,517 0.008,518 0.074,519 0.032,520 0.031,521 0.023,522 0.017,523 0.013,524 0.012,525 0.008,526 0.401,528 1,529 2.555,530 105.95,531 -0.092,532 0.062,533 -0.021,534 0.053,535 -0.11,536 0.03,537 0.098,538 -0.184,539 -0.029,540 -0.147,541 0.047,542 -0.112,543 0.11,544 -0.008,545 0.019,546 -0.021,547 0.116,548 -0.018,549 0.113,550 0.044,551 -0.008,552 0.003,553 0.131,554 -0.012,555 -0.062,556 0.051,557 0.037,558 0.076,559 -0.032,560 0.069,561 -0.005,562 -0.054,563 -0.003,564 -0.046,565 0.019,566 -0.026,567 -0.01,568 -0.08,569 -0.049,570 -0.094,571 -0.01,572 -0.076,573 -0.029,574 -0.051,575 -0.02,576 -0.031,577 -0.057,578 -0.027,579 2.234,580 4.74,581 0.273,582 25.339,583 0.985,584 1.139,585 3.611,586 13.037,587 0.607,588 3.135,589 3.332,590 3.434,591 3.466,592 3.555,593 3.526,594 3.555,595 3.584,596 3.555,597 3.367,598 7.171,599 0.555,600 306.5,601 3.135,602 4.595,603 5.361,604 6.159,605 6.948,606 7.755,607 8.554,608 9.368,609 10.174,610 10.991,611 3.8,612 1,617 1,623 4,628 2,630 6,638 52,639 7,640 1,641 22,642 52,643 18,644 6,645 2,646 4,648 1,649 1,652 2,657 9,659 7,660 11,662 1,664 1,667 1,669 1,670 30,671 4,672 4,673 4,677 2,681 1,682 2,684 1,693 1,700 1,704 1,708 1,710 1,712 2,715 22,716 1,717 1,718 7,719 1,721 2,731 3.8,732 1,734 1,737 12.667,738 9.2,739 5.222,740 3.553,741 1.207,742 1.2,743 0.875,744 8.982,745 7.23,746 3.296,747 3.676,748 4.012,749 4.368,750 4.788,751 4.768,752 4.972,753 5.125,754 5.023,755 4.857,756 1,757 27,758 8.2,759 3.274,760 7.758,761 15.933,762 12.493,763 2.258,764 49.667,765 0.001,767 1,768 306.049,769 83.944,770 50.908,772 67.828,774 83.944,775 373.877,776 50.908,777 17.65,778 68.65,779 80.588,780 29.85,781 5.942,783 306.049,785 306.049,786 134.852,787 67.828,790 270.735,791 60.458,792 42.683,793 86.3,794 48.552,797 306.049,798 118.736,799 83.944,801 306.049,802 28.389,803 55.555,804 18.011,805 100.725,806 306.049,807 118.736,808 83.944,810 0.552,811 0.3,812 0.133,813 0.065,814 8,815 5,816 0.192,817 10,819 1,820 3.516,821 140.405,823 6,824 94.107,826 18.827,827 10.496,828 7.57,830 118.736,831 7.85,836 2.001,838 93.591,839 508.729,840 26,842 11.74,845 -0.362,846 51.229,847 59.228,848 0.237,849 0.54,850 0.722,851 0.826,852 0.873,853 0.887,854 4.472,855 0.853,856 5.293,857 2.275,858 4.007,859 4.357,860 2.027,861 5.958,862 3.977,863 5.584,864 0.595,865 6.777,866 1.609,867 3.434,868 3.951,869 1.593,870 6.629,871 3.37,872 6.818,873 0.234,874 8.365,875 1.294,876 5.46,877 6.271,878 3.019,879 9.642,880 5.396,881 8.087,882 -0.132,883 10.016,884 0.43,885 5.707,886 6.653,887 3.114,888 11.128,889 5.604,890 9.389,891 -0.558,892 11.707,893 -0.263,894 7.186,895 8.497,896 4.198,897 13.646,898 7.083,899 10.713,900 -0.896,901 13.426,902 -1.094,903 7.827,904 9.232,905 4.555,906 15.473,907 7.686,908 12.054,909 -1,910 15.164,911 -1.933,912 9.068,913 10.869,914 5.456,915 17.802,916 8.923,917 2.89,918 -1,919 16.916,920 -2,921 9.908,922 11.793,923 5.952,924 19.793,925 9.729,926 2.62,927 8.861,928 18.681,929 -2.554,930 11.04,931 13.315,932 6.751,933 22.039,934 10.85,935 2.218,936 7.362,937 20.454,938 3.654,939 11.98,940 14.356,941 7.324,942 24.115,943 11.761,944 1.842,945 6.423,946 22.235,947 3.145,948 13.063,949 15.806,950 8.066,951 26.324,952 12.828,953 1.696,954 4.329,955 24.022,956 2.709,957 14.055,958 16.925,959 8.682,960 28.445,961 13.793,962 1.411,963 3.646,964 25.814,965 1.982,966 15.116,967 18.325,968 9.392,969 30.637,970 14.836,971 1,972 2.736,973 27.611,974 1.849,975 16.135,976 19.498,977 10.031,978 32.784,979 15.829,980 5456,981 8010,982 13.811,983 31.58,984 30.899,985 31.798,986 32.075,987 30.732,988 30.719,989 36.085,990 4.432,991 77.931,992 30.243,993 5.028,994 5.748,995 6.177,996 4.87,997 4.89,998 6.654,999 3.416,1000 15.309,1001 4.825,1002 13.697,1003 1.405,1004 1.445,1005 1.458,1006 1.397,1007 1.396,1008 1.64,1009 0.201,1010 3.542,1011 1.375,1012 3.963,1013 4,1014 3.892,1015 3.887,1016 7.429,1017 3.882,1018 3.761,1019 3.824,1020 3.636,1021 3.638,1022 6.45,1023 3.619,1024 3.722,1025 3.77,1026 3.584,1027 3.542,1028 4.971,1029 3.555,1030 3.533,1031 3.607,1032 3.348,1033 3.395,1034 4.743,1035 3.373,1036 3.306,1037 3.378,1038 3.154,1039 3.113,1040 4.216,1041 3.103,1042 3.191,1043 3.273,1044 2.985,1045 2.963,1046 4.048,1047 2.965,1048 2.954,1049 3.07,1050 2.728,1051 2.746,1052 3.874,1053 2.726,1054 2.854,1055 2.928,1056 2.687,1057 2.735,1058 3.789,1059 2.715,1060 0.187,1061 0.17,1062 0.282,1063 0.176,1064 0.131,1065 4.109,1066 0.166,1067 3.748,1068 0.089,1069 6.214,1070 0.403,1071 3.87,1072 0.128,1073 2.89,1074 3.654,1075 1.953,1076 8.861,1077 2.825,1078 1.937,1079 1.906,1080 2.085,1081 2.04,1082 1.41,1083 2.053,1084 1.776,1085 1.715,1086 2.008,1087 1.938,1088 1.246,1089 1.965,1090 1.665,1091 1.618,1092 1.88,1093 1.878,1094 1.088,1095 1.882,1096 1.561,1097 1.491,1098 1.837,1099 1.742,1100 1.046,1101 1.779,1102 1.296,1103 1.219,1104 1.615,1105 1.53,1106 0.837,1107 1.555,1108 1.166,1109 1.091,1110 1.474,1111 1.445,1112 0.566,1113 1.469,1114 0.961,1115 0.867,1116 1.338,1117 1.251,1118 0.486,1119 1.274,1120 0.886,1121 0.821,1122 1.181,1123 1.131,1124 0.288,1125 1.152,1126 3.807,1128 5.03,1130 6.431,1132 7.915,1134 9.443,1135 3.738,1138 5.591,1139 9.302,1140 8.844,1141 2.717,1143 -1.755,1148 28.848,1149 70.157,1150 160.051,1151 213.894,1152 244.913,1153 258.913,1154 262.913,1155 68.527,1156 6.023,1157 75.35,1158 75.35,1159 6,1160 11.577,1161 3,1162 2.322,1163 58.675,1164 96,1165 104,1166 0.306,1167 185.911,1168 325.72,1169 445.382,1170 2804,1172 16.372,1173 0.744,1174 0.629,1175 16.372,1176 13.847,1177 10.541,1178 0.479,1179 0.381,1180 8.318,1181 10.302,1182 8.066,1183 6.841,1184 10.541,1185 8.377,1186 8.759,1187 0.324,1188 0.221,1189 8.759,1190 5.97,1191 6.587,1192 0.22,1193 0.129,1194 6.587,1195 3.863,1196 4.367,1197 0.141,1198 0.074,1199 4.367,1200 2.309,1201 3.072,1202 0.09,1203 0.044,1204 3.072,1205 1.483,1206 0.503,1207 65.097,1208 0.269,1209 22.749,1210 0.776,1211 98,1212 241.53,1213 105.399,1214 235.85,1215 309.06,1216 218,1217 106,1218 212.796,1219 112.957,1220 216.742,1221 309.04,1222 204,1223 5.796} {0 CHEMBL575960,1 1.349,2 12.364,3 3.749,4 14.052,5 90.279,6 5.894,7 0.273,8 3.973,9 4.124,10 3.287,11 3.452,12 4.952,13 3.379,14 4.534,15 4.751,16 3.555,17 3.821,18 5.434,19 3.696,20 4.862,21 5.135,22 3.614,23 3.94,24 5.838,25 3.783,26 4.875,27 5.166,28 3.495,29 3.887,30 5.867,31 3.711,32 4.77,33 5.067,34 3.357,35 3.799,36 5.624,37 3.618,38 4.616,39 4.897,40 3.303,41 3.73,42 5.457,43 3.553,44 4.593,45 4.881,46 3.183,47 3.675,48 5.403,49 3.479,50 4.511,51 4.811,52 3.008,53 3.54,54 5.273,55 3.332,56 0.076,57 0.695,58 12.848,59 5.123,60 11.708,61 7.381,62 0.174,63 1.061,64 21.736,65 8.289,66 23.509,67 12.177,68 0.408,69 1.265,70 29.656,71 9.956,72 66.865,73 15.014,74 0.469,75 1.22,76 29.781,77 9.551,78 78.475,79 14.693,80 0.273,81 1.089,82 26.256,83 8.999,84 47.718,85 13.55,86 0.176,87 1.004,88 22.55,89 8.182,90 32.282,91 12.275,92 0.173,93 0.953,94 21.894,95 7.955,96 30.139,97 11.917,98 0.182,99 0.836,100 19.963,101 7.128,102 28.311,103 10.686,104 45,105 27,106 0.232,107 0.53,108 0.708,109 0.811,110 0.857,111 0.871,112 3.144,113 1.142,114 -4.84,115 -4.75,116 -4.46,117 34.6,118 2,119 7,124 2,130 4,131 1,132 1,142 1,146 1,147 1,148 1,151 12,154 1,156 3,158 13,162 1,163 1,164 2,165 3,166 2,167 12,168 1,170 3,172 1,173 1,174 2,176 9,179 2,183 3,185 8,186 2,188 1,191 5,193 9,194 2,196 1,199 4,200 8,201 1,203 1,205 3,206 6,207 1,209 1,213 3,214 5,215 1,216 676,217 14.527,218 14.527,219 14.527,220 14.527,221 14.527,222 13.673,223 13.448,224 9.148,225 14.623,226 10.796,227 10.796,228 10.796,229 10.796,230 10.796,231 9.459,232 13.896,233 4.332,234 10.952,235 4.351,236 2.623,237 1.587,238 0.991,239 0.721,240 0.644,241 3.786,243 1,244 1,245 1,246 528,247 4.243,251 86.794,256 2.273,257 20.31,258 1,259 1,260 0.83,261 0.83,262 1,263 1,264 1,265 1,266 0.95,267 47,268 272,269 4.109,270 3.748,271 6.214,272 3.87,273 2.89,274 3.654,275 1.953,276 8.861,277 2.825,278 3.924,279 2.795,280 5.498,281 3.61,282 2.62,283 3.145,284 0.263,285 7.362,286 2.595,287 3.465,288 2.595,289 5.167,290 3.192,291 2.218,292 2.709,294 6.423,295 2.156,296 2.974,297 2.338,298 4.55,299 2.84,300 1.842,301 1.982,303 4.329,304 1.838,305 2.846,306 1.838,307 3.84,308 2.688,309 1.696,310 1.849,312 3.646,313 1.663,314 2.5,315 1.424,316 3.436,317 2.411,318 1.411,319 1.5,321 2.736,322 1.41,323 2.447,324 1.314,325 3.414,326 2,327 1,328 1.445,330 2.275,331 1,332 1.899,333 1,334 3.144,335 1.849,336 0.853,337 0.879,339 1.609,340 0.849,341 1.696,342 0.912,343 2.865,344 1.536,345 0.595,346 0.628,347 1.294,348 0.554,349 1.409,350 0.58,351 2.379,352 1.234,353 0.234,354 0.252,355 0.43,356 0.233,357 1.078,358 0.199,359 2.169,360 0.871,361 -0.132,362 -0.154,363 -0.263,364 -0.132,365 0.655,366 -0.235,367 2,368 0.45,369 -0.558,370 -0.611,371 -1.094,372 -0.559,373 0.5,374 -0.586,375 1.661,376 0.116,377 -0.896,378 -1,379 -1.933,380 -0.889,381 0.339,382 -0.597,383 1.52,385 -1,386 -1.051,387 -2,388 -0.902,390 -0.855,391 1.278,392 -0.099,393 -1,394 -1.379,395 -2.554,396 -1,397 10.467,398 0.476,399 0.459,400 0.021,401 20.25,402 0.92,403 8,404 0.364,405 12.25,406 0.557,407 21.968,408 0.999,409 26.733,410 0.514,411 13.251,412 0.602,413 3.38,414 0.154,415 7.161,416 0.326,417 0.197,419 0.239,420 0.925,421 1.334,422 1.115,423 1.256,424 0.873,425 1.207,426 0.646,427 1.377,428 1.044,429 1.321,430 0.645,431 1.244,432 0.957,433 1.029,434 0.988,435 1.021,436 0.917,437 1.013,438 0.98,439 0.936,440 1.006,441 0.946,442 0.973,443 0.968,444 1.054,445 0.893,446 0.933,447 0.892,448 1.114,449 0.9,450 0.718,451 1.078,452 0.96,453 1.079,454 0.705,455 1.05,456 0.717,457 1.08,458 0.995,459 1.114,460 0.655,461 1.09,462 0.832,463 0.993,464 0.962,465 1.017,466 0.855,467 1.011,468 4,469 0.087,470 2,471 0.875,472 0.702,473 0.486,474 0.344,475 0.224,476 0.172,477 0.106,478 5108,479 10450,480 1.873,481 57.7,482 17,483 6,486 4,488 3,490 1.635,491 1.737,492 3.582,493 1.78,495 1,497 70.157,498 1.349,499 3.078,500 4.113,501 4.71,502 4.979,503 5.056,504 3.106,505 3.482,506 4.421,507 3.764,508 869.524,509 7.552,510 10528,511 1,512 1,513 296.423,514 1.449,515 4.374,516 0.182,517 0.008,518 0.074,519 0.032,520 0.031,521 0.023,522 0.017,523 0.013,524 0.012,525 0.008,526 0.401,528 1,529 2.555,530 105.95,531 -0.092,532 0.062,533 -0.021,534 0.053,535 -0.11,536 0.03,537 0.098,538 -0.184,539 -0.029,540 -0.147,541 0.047,542 -0.112,543 0.11,544 -0.008,545 0.019,546 -0.021,547 0.116,548 -0.018,549 0.113,550 0.044,551 -0.008,552 0.003,553 0.131,554 -0.012,555 -0.062,556 0.051,557 0.037,558 0.076,559 -0.032,560 0.069,561 -0.005,562 -0.054,563 -0.003,564 -0.046,565 0.019,566 -0.026,567 -0.01,568 -0.08,569 -0.049,570 -0.094,571 -0.01,572 -0.076,573 -0.029,574 -0.051,575 -0.02,576 -0.031,577 -0.057,578 -0.027,579 2.234,580 4.74,581 0.273,582 25.339,583 0.985,584 1.139,585 3.611,586 13.037,587 0.607,588 3.135,589 3.332,590 3.434,591 3.466,592 3.555,593 3.526,594 3.555,595 3.584,596 3.555,597 3.367,598 7.171,599 0.555,600 306.5,601 3.135,602 4.595,603 5.361,604 6.159,605 6.948,606 7.755,607 8.554,608 9.368,609 10.174,610 10.991,611 3.8,612 1,617 1,623 4,628 2,630 6,638 52,639 7,640 1,641 22,642 52,643 18,644 6,645 2,646 4,648 1,649 1,652 2,657 9,659 7,660 11,662 1,664 1,667 1,669 1,670 30,671 4,672 4,673 4,677 2,681 1,682 2,684 1,693 1,700 1,704 1,708 1,710 1,712 2,715 22,716 1,717 1,718 7,719 1,721 2,731 3.8,732 1,734 1,737 12.667,738 9.2,739 5.222,740 3.553,741 1.207,742 1.2,743 0.875,744 8.982,745 7.23,746 3.296,747 3.676,748 4.012,749 4.368,750 4.788,751 4.768,752 4.972,753 5.125,754 5.023,755 4.857,756 1,757 27,758 8.2,759 3.274,760 7.758,761 15.933,762 12.493,763 2.258,764 49.667,765 0.001,767 1,768 306.049,769 83.944,770 50.908,772 67.828,774 83.944,775 373.877,776 50.908,777 17.65,778 68.65,779 80.588,780 29.85,781 5.942,783 306.049,785 306.049,786 134.852,787 67.828,790 270.735,791 60.458,792 42.683,793 86.3,794 48.552,797 306.049,798 118.736,799 83.944,801 306.049,802 28.389,803 55.555,804 18.011,805 100.725,806 306.049,807 118.736,808 83.944,810 0.552,811 0.3,812 0.133,813 0.065,814 8,815 5,816 0.192,817 10,819 1,820 3.516,821 140.405,823 6,824 94.107,826 18.827,827 10.496,828 7.57,830 118.736,831 7.85,836 2.001,838 93.591,839 508.729,840 26,842 11.74,845 -0.362,846 51.229,847 59.228,848 0.237,849 0.54,850 0.722,851 0.826,852 0.873,853 0.887,854 4.472,855 0.853,856 5.293,857 2.275,858 4.007,859 4.357,860 2.027,861 5.958,862 3.977,863 5.584,864 0.595,865 6.777,866 1.609,867 3.434,868 3.951,869 1.593,870 6.629,871 3.37,872 6.818,873 0.234,874 8.365,875 1.294,876 5.46,877 6.271,878 3.019,879 9.642,880 5.396,881 8.087,882 -0.132,883 10.016,884 0.43,885 5.707,886 6.653,887 3.114,888 11.128,889 5.604,890 9.389,891 -0.558,892 11.707,893 -0.263,894 7.186,895 8.497,896 4.198,897 13.646,898 7.083,899 10.713,900 -0.896,901 13.426,902 -1.094,903 7.827,904 9.232,905 4.555,906 15.473,907 7.686,908 12.054,909 -1,910 15.164,911 -1.933,912 9.068,913 10.869,914 5.456,915 17.802,916 8.923,917 2.89,918 -1,919 16.916,920 -2,921 9.908,922 11.793,923 5.952,924 19.793,925 9.729,926 2.62,927 8.861,928 18.681,929 -2.554,930 11.04,931 13.315,932 6.751,933 22.039,934 10.85,935 2.218,936 7.362,937 20.454,938 3.654,939 11.98,940 14.356,941 7.324,942 24.115,943 11.761,944 1.842,945 6.423,946 22.235,947 3.145,948 13.063,949 15.806,950 8.066,951 26.324,952 12.828,953 1.696,954 4.329,955 24.022,956 2.709,957 14.055,958 16.925,959 8.682,960 28.445,961 13.793,962 1.411,963 3.646,964 25.814,965 1.982,966 15.116,967 18.325,968 9.392,969 30.637,970 14.836,971 1,972 2.736,973 27.611,974 1.849,975 16.135,976 19.498,977 10.031,978 32.784,979 15.829,980 5456,981 8010,982 13.811,983 31.58,984 30.899,985 31.798,986 32.075,987 30.732,988 30.719,989 36.085,990 4.432,991 77.931,992 30.243,993 5.028,994 5.748,995 6.177,996 4.87,997 4.89,998 6.654,999 3.416,1000 15.309,1001 4.825,1002 13.697,1003 1.405,1004 1.445,1005 1.458,1006 1.397,1007 1.396,1008 1.64,1009 0.201,1010 3.542,1011 1.375,1012 3.963,1013 4,1014 3.892,1015 3.887,1016 7.429,1017 3.882,1018 3.761,1019 3.824,1020 3.636,1021 3.638,1022 6.45,1023 3.619,1024 3.722,1025 3.77,1026 3.584,1027 3.542,1028 4.971,1029 3.555,1030 3.533,1031 3.607,1032 3.348,1033 3.395,1034 4.743,1035 3.373,1036 3.306,1037 3.378,1038 3.154,1039 3.113,1040 4.216,1041 3.103,1042 3.191,1043 3.273,1044 2.985,1045 2.963,1046 4.048,1047 2.965,1048 2.954,1049 3.07,1050 2.728,1051 2.746,1052 3.874,1053 2.726,1054 2.854,1055 2.928,1056 2.687,1057 2.735,1058 3.789,1059 2.715,1060 0.187,1061 0.17,1062 0.282,1063 0.176,1064 0.131,1065 4.109,1066 0.166,1067 3.748,1068 0.089,1069 6.214,1070 0.403,1071 3.87,1072 0.128,1073 2.89,1074 3.654,1075 1.953,1076 8.861,1077 2.825,1078 1.937,1079 1.906,1080 2.085,1081 2.04,1082 1.41,1083 2.053,1084 1.776,1085 1.715,1086 2.008,1087 1.938,1088 1.246,1089 1.965,1090 1.665,1091 1.618,1092 1.88,1093 1.878,1094 1.088,1095 1.882,1096 1.561,1097 1.491,1098 1.837,1099 1.742,1100 1.046,1101 1.779,1102 1.296,1103 1.219,1104 1.615,1105 1.53,1106 0.837,1107 1.555,1108 1.166,1109 1.091,1110 1.474,1111 1.445,1112 0.566,1113 1.469,1114 0.961,1115 0.867,1116 1.338,1117 1.251,1118 0.486,1119 1.274,1120 0.886,1121 0.821,1122 1.181,1123 1.131,1124 0.288,1125 1.152,1126 3.807,1128 5.03,1130 6.431,1132 7.915,1134 9.443,1135 3.738,1138 5.591,1139 9.302,1140 8.844,1141 2.717,1143 -1.755,1148 28.848,1149 70.157,1150 160.051,1151 213.894,1152 244.913,1153 258.913,1154 262.913,1155 68.527,1156 6.023,1157 75.35,1158 75.35,1159 6,1160 11.577,1161 3,1162 2.322,1163 58.675,1164 96,1165 104,1166 0.306,1167 185.911,1168 325.72,1169 445.382,1170 2804,1172 16.372,1173 0.744,1174 0.629,1175 16.372,1176 13.847,1177 10.541,1178 0.479,1179 0.381,1180 8.318,1181 10.302,1182 8.066,1183 6.841,1184 10.541,1185 8.377,1186 8.759,1187 0.324,1188 0.221,1189 8.759,1190 5.97,1191 6.587,1192 0.22,1193 0.129,1194 6.587,1195 3.863,1196 4.367,1197 0.141,1198 0.074,1199 4.367,1200 2.309,1201 3.072,1202 0.09,1203 0.044,1204 3.072,1205 1.483,1206 0.503,1207 65.097,1208 0.269,1209 22.749,1210 0.776,1211 98,1212 241.53,1213 105.399,1214 235.85,1215 309.06,1216 218,1217 106,1218 212.796,1219 112.957,1220 216.742,1221 309.04,1222 204,1223 5.959} {0 CHEMBL578596,1 1.26,2 12.455,3 4.32,4 18.663,5 94.754,6 5.639,7 0.261,8 4.02,9 4.174,10 3.323,11 3.516,12 4.868,13 3.433,14 4.621,15 4.844,16 3.585,17 3.917,18 5.371,19 3.78,20 4.953,21 5.247,22 3.55,23 4.02,24 5.665,25 3.825,26 4.911,27 5.22,28 3.357,29 3.93,30 5.587,31 3.708,32 4.794,33 5.116,34 3.29,35 3.843,36 5.392,37 3.624,38 4.65,39 4.943,40 3.324,41 3.784,42 5.345,43 3.596,44 4.62,45 4.902,46 3.223,47 3.743,48 5.358,49 3.545,50 4.569,51 4.88,52 3.003,53 3.615,54 5.197,55 3.384,56 0.082,57 0.741,58 13.8,59 5.468,60 7.8,61 8.011,62 0.157,63 1.186,64 23.818,65 8.946,66 14.082,67 13.401,68 0.334,69 1.396,70 31.187,71 11.103,72 31.075,73 16.744,74 0.302,75 1.286,76 29.216,77 10.444,78 31.715,79 15.822,80 0.179,81 1.156,82 25.433,83 9.626,84 20.376,85 14.469,86 0.147,87 1.062,88 22.708,89 8.724,90 20.812,91 13,92 0.161,93 1.018,94 22.218,95 8.475,96 23.506,97 12.538,98 0.144,99 0.911,100 20.341,101 7.83,102 17.964,103 11.615,104 12,105 28,106 0.215,107 0.49,108 0.704,109 0.822,110 0.866,111 0.879,112 3.144,113 1.179,114 -5.17,115 -5.07,116 -4.74,117 35.2,118 1,119 8,123 2,124 2,130 4,131 1,132 1,151 12,156 4,158 13,164 2,165 2,167 12,173 1,174 2,176 9,183 3,185 8,191 5,193 9,199 4,200 8,205 3,206 6,213 3,214 5,216 680,217 15.181,218 15.181,219 15.181,220 15.181,221 15.181,222 14.458,223 17.793,224 9.672,225 15.336,226 11.343,227 11.343,228 11.343,229 11.343,230 11.343,231 10.255,232 25.076,233 4.61,234 11.61,235 4.495,236 2.884,237 1.631,238 0.94,239 0.681,240 0.607,241 3.812,244 1,245 1,246 564,247 3.317,250 73.995,251 81.891,256 2.364,257 13.123,258 1,259 1,260 0.83,261 0.83,262 1,263 1,264 1,265 1,266 0.95,267 46,268 274,269 4.044,270 3.044,271 6.037,272 3.785,273 2.829,274 3.637,275 0.4,276 8.6,277 2.701,278 3.814,279 2.805,280 5.489,281 3.63,282 2.642,283 2.849,284 0.4,285 7.378,286 2.607,287 3.483,288 2.448,289 5.128,290 3.19,291 2.213,292 2.731,294 6.369,295 2.158,296 2.85,297 1.842,298 4.131,299 2.835,300 1.836,301 1.852,303 3.693,304 1.833,305 2.5,306 1.717,307 3.841,308 2.438,309 1.455,310 1.5,312 3.63,313 1.432,314 2.48,315 1.45,316 3.449,317 2.359,318 1.386,319 1.48,321 2.745,322 1.343,323 2.419,324 1.377,325 3.417,326 2.045,327 1.124,328 1.418,330 2.429,331 1.03,332 2.127,333 1,334 3.414,335 2,336 1,337 1.126,339 2.275,340 1,341 1.908,342 0.938,343 3.127,344 1.857,345 0.862,346 0.889,347 1.657,348 0.857,349 1.642,350 0.733,351 2.854,352 1.515,353 0.564,354 0.595,355 1.237,356 0.535,357 1.243,358 0.284,359 2.357,360 1.169,361 0.177,362 0.185,363 0.32,364 0.176,365 0.881,366 -0.09,367 2.137,368 0.712,369 -0.267,370 -0.29,371 -0.534,372 -0.26,373 0.5,374 -0.258,375 2,376 0.382,377 -0.571,378 -0.585,379 -1.163,380 -0.532,381 0.462,382 -0.636,383 1.591,384 0.171,385 -0.778,386 -0.832,387 -1.549,388 -0.741,389 0.325,390 -0.984,391 1.573,393 -1,394 -1.202,395 -2.461,396 -1,397 10.633,398 0.483,399 0.294,400 0.013,401 19.25,402 0.875,403 6.5,404 0.295,405 12.75,406 0.58,407 22.511,408 1.023,409 26.567,410 0.492,411 10.444,412 0.475,413 3.024,414 0.137,415 7.769,416 0.353,417 0.078,419 0.188,420 1.11,421 1.394,422 1.16,423 1.269,424 1.072,425 1.224,426 1.015,427 1.377,428 1.193,429 1.3,430 0.868,431 1.262,432 1.031,433 0.995,434 1.033,435 1.015,436 1.03,437 1.022,438 1.067,439 0.968,440 1.025,441 0.965,442 1.146,443 0.991,444 0.639,445 0.881,446 0.845,447 0.882,448 0.576,449 0.878,450 0.651,451 1.024,452 0.914,453 1.02,454 0.563,455 0.989,456 0.976,457 1.102,458 1.086,459 1.136,460 1.041,461 1.124,462 0.771,463 1,464 0.963,465 1.026,466 0.886,467 1.016,468 3,469 0.057,470 1.778,471 0.569,472 0.507,473 0.378,474 0.212,475 0.165,476 0.137,477 0.07,478 5840,479 9553,480 2.022,481 59.3,482 17,483 10,486 3,489 2,490 1.634,491 1.941,492 3.576,493 0.935,495 1,497 68.053,498 1.26,499 2.871,500 4.124,501 4.815,502 5.074,503 5.148,504 3.084,505 3.482,506 4.422,507 3.789,508 875.318,509 7.545,510 10698.9,511 1,512 1,513 310.764,514 1.096,515 4.414,516 0.13,517 0.005,518 0.063,519 0.023,520 0.025,521 0.019,522 0.01,523 0.009,524 0.01,525 0.005,526 0.301,527 0.5,528 1,529 1.936,530 106.342,531 -0.063,532 -0.01,533 0.017,534 0.033,535 -0.094,536 0.031,537 -0.05,538 -0.17,539 -0.108,540 -0.152,541 -0.03,542 -0.137,543 0.083,544 0.011,545 -0.027,546 -0.036,547 0.043,548 -0.041,549 0.006,550 -0.012,551 -0.047,552 -0.012,553 -0.049,554 -0.033,555 0.022,556 0.064,557 0.088,558 0.083,559 0.019,560 0.091,561 0.04,562 -0.007,563 0.056,564 0.007,565 0.096,566 0.031,567 -0.049,568 -0.08,569 -0.092,570 -0.101,571 -0.016,572 -0.099,573 -0.009,574 -0.056,575 -0.021,576 -0.039,577 -0.05,578 -0.033,579 1.542,580 3.783,581 0.5,582 25.719,583 0.977,584 1.138,585 3.943,586 15.549,587 0.609,588 3.178,589 3.367,590 3.526,591 3.638,592 3.689,593 3.664,594 3.689,595 3.761,596 3.85,597 3.807,598 7.315,599 0.549,600 304.53,601 3.178,602 4.635,603 5.416,604 6.217,605 7.017,606 7.826,607 8.635,608 9.45,609 10.265,610 11.084,611 3.7,613 1,615 1,623 4,628 2,630 6,633 1,638 54,639 6,640 1,641 23,642 55,643 19,644 6,645 2,646 4,648 2,649 2,652 1,655 3,657 10,659 6,660 13,669 1,670 32,671 3,672 3,673 3,677 2,681 1,682 1,684 1,689 1,692 1,693 1,705 1,708 1,710 2,712 1,715 22,717 1,718 10,719 2,721 2,731 1.9,732 1,737 11.333,738 9.2,739 5.194,740 3.837,741 1.133,742 1.178,743 0.901,744 7.925,745 7.482,746 3.296,747 3.651,748 4.012,749 4.368,750 4.771,751 4.72,752 4.821,753 4.99,754 5.197,755 5.241,756 1,757 25,758 8.219,759 3.302,760 7.409,761 16.655,762 13.656,763 1.909,764 42,765 0.002,767 1,768 341.362,769 77.16,770 36.022,772 42.683,774 77.16,775 384.045,776 36.022,777 8.825,778 24.488,779 98.599,780 18.011,781 5.942,783 341.362,785 341.362,786 113.182,787 42.683,790 317.82,791 23.542,792 42.683,793 51.324,794 43.847,795 18.011,797 341.362,798 78.705,799 77.16,801 341.362,802 30.43,803 46.73,804 36.022,805 42.683,806 341.362,807 78.705,808 77.16,810 0.544,811 0.301,812 0.147,813 0.071,814 10,815 4,816 0.182,817 10,819 1,820 3.708,821 145.135,823 11,824 94.107,826 17.458,827 9.988,828 6.411,830 78.705,831 8.779,836 2.577,838 78.705,839 497.227,840 26,846 52.785,847 61.434,848 0.219,849 0.499,850 0.717,851 0.837,852 0.882,853 0.895,854 4.472,855 1,856 5.313,857 2.429,858 4.043,859 4.331,860 0.495,861 5.958,862 3.993,863 5.538,864 0.862,865 6.765,866 2.275,867 3.219,868 3.689,870 6.529,871 3.118,872 6.746,873 0.564,874 8.318,875 1.657,876 5.468,877 6.189,878 0.097,879 9.565,880 5.365,881 7.988,882 0.177,883 9.936,884 1.237,885 5.565,886 6.437,888 11.044,889 5.395,890 9.27,891 -0.267,892 11.597,893 0.32,894 7.16,895 8.382,896 0.016,897 13.505,898 6.992,899 10.575,900 -0.571,901 13.288,902 -0.534,903 7.708,904 9.037,906 15.346,907 7.471,908 11.898,909 -0.778,910 15,911 -1.163,912 9.004,913 10.738,914 0.003,915 17.603,916 8.762,917 2.829,918 -1,919 16.727,920 -1.549,921 9.782,922 11.611,924 19.601,925 9.475,926 2.642,927 8.6,928 18.466,929 -2.461,930 10.934,931 13.178,933 21.781,934 10.613,935 2.213,936 7.378,937 20.213,938 3.637,939 11.831,940 14.186,942 23.852,943 11.45,944 1.836,945 6.369,946 21.966,947 2.849,948 12.915,949 15.668,951 26.005,952 12.511,953 1.455,954 3.693,955 23.725,956 2.731,957 13.873,958 16.767,960 28.111,961 13.414,962 1.386,963 3.63,964 25.488,965 1.852,966 14.925,967 18.19,969 30.255,970 14.437,971 1.124,972 2.745,973 27.254,974 1.5,975 15.914,976 19.35,978 32.379,979 15.375,980 5880,981 7654,982 15.485,983 32.887,984 32.148,985 32.273,986 33.076,987 32.219,988 32.177,989 36.524,990 1.6,991 80.669,992 31.344,993 4.992,994 5.044,995 6,996 4.818,997 4.829,998 6.637,999 0.8,1000 14.425,1001 4.701,1002 8.985,1003 1.398,1004 1.403,1005 1.438,1006 1.401,1007 1.399,1008 1.588,1009 0.07,1010 3.507,1011 1.363,1012 3.971,1013 4.015,1014 3.892,1015 3.89,1016 6.449,1017 3.885,1018 3.838,1019 3.893,1020 3.725,1021 3.681,1022 4.761,1023 3.684,1024 3.755,1025 3.818,1026 3.59,1027 3.638,1028 4.339,1029 3.617,1030 3.54,1031 3.615,1032 3.357,1033 3.401,1034 4.217,1035 3.38,1036 3.315,1037 3.402,1038 3.138,1039 3.135,1040 4.064,1041 3.123,1042 3.175,1043 3.268,1044 2.945,1045 2.996,1046 3.927,1047 2.972,1048 2.916,1049 3.006,1050 2.709,1051 2.739,1052 3.674,1053 2.715,1054 2.879,1055 2.962,1056 2.687,1057 2.735,1058 3.654,1059 2.712,1060 0.176,1061 0.132,1062 0.262,1063 0.165,1064 0.123,1065 4.044,1066 0.158,1067 3.044,1068 0.017,1069 6.037,1070 0.374,1071 3.785,1072 0.117,1073 2.829,1074 3.637,1075 0.4,1076 8.6,1077 2.701,1078 1.938,1079 1.906,1080 2.087,1081 2.039,1082 1.411,1083 2.055,1084 1.776,1085 1.714,1086 2.011,1087 1.934,1088 1.253,1089 1.965,1090 1.63,1091 1.576,1092 1.868,1093 1.825,1094 1.212,1095 1.839,1096 1.557,1097 1.49,1098 1.82,1099 1.742,1100 1.076,1101 1.772,1102 1.487,1103 1.405,1104 1.753,1105 1.718,1106 1.018,1107 1.741,1108 1.277,1109 1.196,1110 1.605,1111 1.493,1112 0.832,1113 1.535,1114 1.019,1115 0.929,1116 1.354,1117 1.312,1118 0.563,1119 1.326,1120 0.886,1121 0.821,1122 1.256,1123 1.152,1124 0.433,1125 1.204,1126 3.85,1128 5.069,1129 2.398,1130 6.463,1131 4.595,1132 7.94,1133 6.529,1134 9.463,1135 2.263,1139 9.783,1140 11.888,1141 6.736,1143 -0.026,1148 29.66,1149 68.053,1150 155.016,1151 222.706,1152 260.009,1153 274.009,1154 278.009,1155 42.753,1156 6.349,1157 44.29,1158 44.29,1159 11,1160 11.667,1161 2.807,1162 2,1163 42.804,1164 98,1165 104,1166 0.215,1167 187.041,1168 324.51,1169 448.14,1170 4628,1172 15.623,1173 0.71,1174 0.636,1175 15.623,1176 13.982,1177 10.792,1178 0.469,1179 0.393,1180 8.977,1181 10.587,1182 8.771,1183 7.368,1184 10.792,1185 9.036,1186 8.689,1187 0.31,1188 0.233,1189 8.689,1190 6.512,1191 6.917,1192 0.21,1193 0.14,1194 6.917,1195 4.61,1196 5.123,1197 0.138,1198 0.083,1199 5.123,1200 3.089,1201 3.575,1202 0.092,1203 0.048,1204 3.575,1205 1.863,1206 0.356,1207 66.238,1208 0.254,1209 22.881,1210 0.539,1211 102,1212 196.815,1213 107.545,1214 194.636,1215 266.1,1216 184,1217 112,1218 189.371,1219 117.74,1220 193.516,1221 278.44,1222 184,1223 6.131} {0 CHEMBL583709,1 1.349,2 12.364,3 3.803,4 14.462,5 90.635,6 5.894,7 0.273,8 3.973,9 4.123,10 3.292,11 3.445,12 4.936,13 3.373,14 4.538,15 4.762,16 3.521,17 3.805,18 5.401,19 3.678,20 4.832,21 5.111,22 3.598,23 3.929,24 5.695,25 3.77,26 4.852,27 5.133,28 3.53,29 3.893,30 5.839,31 3.723,32 4.802,33 5.093,34 3.371,35 3.816,36 5.672,37 3.638,38 4.641,39 4.929,40 3.304,41 3.741,42 5.435,43 3.559,44 4.593,45 4.881,46 3.183,47 3.675,48 5.38,49 3.479,50 4.511,51 4.811,52 3.008,53 3.54,54 5.263,55 3.332,56 0.071,57 0.696,58 12.865,59 5.06,60 8.648,61 7.344,62 0.204,63 1.058,64 21.853,65 8.009,66 22.424,67 11.941,68 0.369,69 1.245,70 28.571,71 9.877,72 39.448,73 14.867,74 0.433,75 1.208,76 29.168,77 9.677,78 70.636,79 14.675,80 0.317,81 1.108,82 27.324,83 9.14,84 51.07,85 13.735,86 0.182,87 1.018,88 23.046,89 8.336,90 28.779,91 12.529,92 0.173,93 0.953,94 21.894,95 7.955,96 27.028,97 11.917,98 0.182,99 0.836,100 19.963,101 7.128,102 26.718,103 10.686,104 41,105 26,106 0.232,107 0.526,108 0.728,109 0.811,110 0.857,111 0.871,112 3.144,113 1.144,114 -4.84,115 -4.75,116 -4.46,117 34.6,118 1,119 7,122 1,123 1,124 1,130 4,131 1,132 1,142 1,151 12,154 1,156 2,158 13,163 1,164 2,165 2,167 12,170 2,172 1,173 1,174 1,176 9,179 2,183 3,185 8,188 1,191 5,193 7,196 1,199 4,200 6,203 1,205 3,206 5,209 1,213 3,214 4,216 680,217 15.06,218 15.06,219 15.06,220 15.06,221 15.06,222 14.206,223 13.7,224 9.524,225 15.194,226 10.698,227 10.698,228 10.698,229 10.698,230 10.698,231 9.363,232 14.323,233 4.34,234 10.872,235 4.351,236 2.645,237 1.472,238 0.991,239 0.721,240 0.644,241 3.79,243 1,244 1,245 1,246 528,247 4.123,251 86.794,256 2.273,257 17.655,258 1,259 1,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.86,267 47,268 272,269 4.095,270 3.735,271 6.032,272 3.804,273 2.821,274 3.653,275 1.956,276 8.577,277 2.764,278 3.878,279 2.789,280 5.474,281 3.58,282 2.586,283 3.107,284 0.465,285 7.299,286 2.57,287 3.435,288 2.406,289 5.125,290 3.148,291 2.171,292 2.682,293 0.132,294 6.328,295 2.118,296 2.85,297 2.229,298 4.03,299 2.833,300 1.835,301 1.852,303 3.657,304 1.832,305 2.641,306 1.838,307 3.838,308 2.435,309 1.441,310 1.589,312 3.255,313 1.43,314 2.5,315 1.424,316 3.426,317 2.322,318 1.33,319 1.5,321 2.716,322 1.304,323 2.444,324 1.196,325 3.414,326 2,327 1,328 1.439,330 2.275,331 1,332 1.894,333 1,334 2.929,335 1.841,336 0.842,337 0.871,339 1.549,340 0.841,341 1.618,342 0.915,343 2.647,344 1.499,345 0.618,346 0.618,347 0.791,348 0.541,349 1.417,350 0.64,351 2.618,352 1.256,353 0.261,354 0.282,355 0.487,356 0.259,357 1.078,358 0.414,359 2.247,360 0.904,361 -0.072,362 -0.078,363 -0.13,364 -0.069,365 0.787,366 0.152,367 2,368 0.572,369 -0.354,370 -0.38,371 -0.499,372 -0.327,373 0.637,374 -0.271,375 1.773,376 0.441,377 -0.571,378 -0.639,379 -1.102,380 -0.574,381 0.5,382 -0.68,383 1.546,384 0.116,385 -0.897,386 -1.066,387 -1.933,388 -0.906,389 0.332,390 -0.972,391 1.235,393 -1,394 -1.415,395 -2.557,396 -1,397 10.467,398 0.476,399 0.294,400 0.013,401 20.5,402 0.932,403 8,404 0.364,405 12.5,406 0.568,407 21.075,408 0.958,409 26.733,410 0.514,411 13.477,412 0.613,413 3.655,414 0.166,415 7.052,416 0.321,417 0.159,419 0.191,420 0.899,421 1.443,422 1.102,423 1.308,424 0.765,425 1.235,426 0.778,427 1.301,428 1.099,429 1.243,430 0.691,431 1.211,432 0.738,433 0.993,434 0.924,435 1.005,436 0.795,437 0.989,438 0.907,439 1.012,440 0.989,441 1.025,442 0.91,443 1.015,444 1.288,445 0.888,446 1.005,447 0.889,448 1.407,449 0.917,450 0.698,451 1.048,452 0.933,453 1.049,454 0.662,455 1.021,456 0.717,457 1.08,458 0.995,459 1.114,460 0.637,461 1.09,462 0.832,463 0.993,464 0.962,465 1.017,466 0.904,467 1.011,468 3.5,469 0.07,470 1.778,471 0.875,472 0.702,473 0.375,474 0.263,475 0.224,476 0.148,477 0.086,478 5116,479 10466,480 1.898,481 57.7,482 17,483 10,486 3,490 1.636,491 1.784,492 3.582,493 0.979,495 1,497 70.157,498 1.349,499 3.055,500 4.229,501 4.71,502 4.979,503 5.056,504 3.106,505 3.391,506 4.42,507 3.765,508 869.697,509 7.554,510 10545.8,511 1,512 1,513 296.423,514 1.309,515 4.391,516 0.159,517 0.006,518 0.068,519 0.032,520 0.029,521 0.018,522 0.013,523 0.013,524 0.011,525 0.007,526 0.357,527 0.17,528 0.88,529 2.593,530 105.975,531 -0.066,532 -0.049,533 -0.008,535 -0.055,536 0.001,537 0.035,538 -0.109,539 -0.074,540 -0.103,541 0.003,542 -0.104,543 0.155,544 0.036,545 0.062,546 0.003,547 0.07,548 0.016,549 0.155,550 -0.02,551 0.007,552 -0.044,553 0.205,554 -0.034,555 -0.116,556 0.05,557 -0.012,558 0.071,559 -0.092,560 0.044,561 0.003,562 -0.04,563 0.017,564 -0.027,565 0.025,566 -0.005,567 -0.01,568 -0.08,569 -0.049,570 -0.094,571 -0.003,572 -0.076,573 -0.029,574 -0.051,575 -0.02,576 -0.031,577 -0.064,578 -0.027,579 1.9,580 4.823,581 0.273,582 25.537,583 0.985,584 1.139,585 3.611,586 13.037,587 0.607,588 3.135,589 3.296,590 3.434,591 3.497,592 3.555,593 3.526,594 3.555,595 3.584,596 3.555,597 3.367,598 7.175,599 0.555,600 306.5,601 3.135,602 4.575,603 5.342,604 6.133,605 6.921,606 7.723,607 8.521,608 9.329,609 10.134,610 10.947,611 3.8,613 1,617 1,623 4,628 2,630 6,638 52,639 7,640 1,641 22,642 52,643 18,644 6,645 2,646 4,648 1,649 1,652 2,657 8,659 7,660 11,662 1,664 1,667 1,669 1,670 30,671 4,672 3,673 4,677 2,681 1,682 2,683 1,693 1,700 1,705 1,708 1,710 1,712 2,715 22,717 1,718 8,719 2,721 1,731 3.8,732 1,734 1,737 12.333,738 9.283,739 5.444,740 3.531,741 1.207,742 1.2,743 0.882,744 9.722,745 7.23,746 3.296,747 3.651,748 4.012,749 4.38,750 4.788,751 4.768,752 4.972,753 5.125,754 5.023,755 4.857,756 1,757 27,758 8.184,759 3.196,760 7.697,761 16.016,762 12.379,763 2.197,764 48.333,765 0.001,767 1,768 317.82,769 83.515,770 36.022,772 67.828,774 83.515,775 385.648,776 36.022,777 17.222,778 35.752,779 98.599,780 29.85,781 5.942,783 317.82,785 317.82,786 119.537,787 67.828,790 317.82,791 25.145,792 42.683,793 62.588,794 56.948,797 317.82,798 103.85,799 83.515,801 317.82,802 28.389,803 55.127,804 36.022,805 67.828,806 317.82,807 103.85,808 83.515,810 0.534,811 0.307,812 0.149,813 0.067,814 7,815 4,816 0.212,817 11,819 1,820 3.544,821 139.56,823 6,824 94.107,826 18.827,827 11.36,828 7.57,830 103.85,831 7.979,836 2.075,838 78.705,839 505.185,840 26,842 11.823,845 -0.214,846 51.229,847 59.228,848 0.237,849 0.536,850 0.742,851 0.826,852 0.873,853 0.887,854 4.449,855 0.842,856 5.242,857 2.275,858 3.97,859 4.331,860 2.068,861 5.889,862 3.94,863 5.538,864 0.618,865 6.703,866 1.549,867 3.219,868 3.829,869 1.593,870 6.529,871 3.19,872 6.762,873 0.261,874 8.268,875 0.791,876 5.398,877 6.245,878 3.03,879 9.527,880 5.337,881 8.023,882 -0.072,883 9.896,884 0.487,885 5.525,886 6.586,887 3.114,888 11.011,889 5.454,890 9.321,891 -0.354,892 11.565,893 -0.13,894 7.084,895 8.47,896 4.207,897 13.478,898 6.991,899 10.641,900 -0.571,901 13.262,902 -0.499,903 7.643,904 9.189,905 4.559,906 15.3,907 7.534,908 11.979,909 -0.897,910 14.978,911 -1.102,912 8.919,913 10.843,914 5.466,915 17.574,916 8.793,917 2.821,918 -1,919 16.708,920 -1.933,921 9.7,922 11.76,923 5.96,924 19.551,925 9.554,926 2.586,927 8.577,928 18.447,929 -2.557,930 10.84,931 13.292,932 6.763,933 21.747,934 10.679,935 2.171,936 7.299,937 20.195,938 3.653,939 11.736,940 14.329,941 7.334,942 23.801,943 11.554,944 1.835,945 6.328,946 21.948,947 3.107,948 12.813,949 15.784,950 8.08,951 25.963,952 12.614,953 1.441,954 3.657,955 23.707,956 2.682,957 13.769,958 16.901,959 8.694,960 28.058,961 13.548,962 1.33,963 3.255,964 25.47,965 1.852,966 14.815,967 18.306,968 9.407,969 30.208,970 14.578,971 1,972 2.716,973 27.236,974 1.589,975 15.803,976 19.478,977 10.046,978 32.325,979 15.544,980 5462,981 8018,982 14.099,983 31.58,984 29.907,985 30.951,986 31.792,987 29.799,988 29.809,989 35.187,990 5.104,991 73.867,992 29.317,993 5.014,994 5.735,995 5.995,996 4.804,997 4.821,998 6.653,999 3.423,1000 14.663,1001 4.764,1002 12.398,1003 1.359,1004 1.407,1005 1.445,1006 1.355,1007 1.355,1008 1.599,1009 0.232,1010 3.358,1011 1.333,1012 3.962,1013 3.999,1014 3.892,1015 3.886,1016 7.428,1017 3.882,1018 3.76,1019 3.824,1020 3.625,1021 3.638,1022 6.456,1023 3.619,1024 3.707,1025 3.761,1026 3.581,1027 3.504,1028 4.747,1029 3.523,1030 3.53,1031 3.605,1032 3.344,1033 3.39,1034 4.282,1035 3.369,1036 3.278,1037 3.364,1038 3.107,1039 3.099,1040 4.216,1041 3.082,1042 3.181,1043 3.277,1044 2.954,1045 2.915,1046 4.045,1047 2.91,1048 3.086,1049 3.151,1050 2.892,1051 2.81,1052 3.868,1053 2.809,1054 2.877,1055 2.964,1056 2.687,1057 2.735,1058 3.674,1059 2.715,1060 0.186,1061 0.17,1062 0.274,1063 0.173,1064 0.128,1065 4.095,1066 0.166,1067 3.735,1068 0.089,1069 6.032,1070 0.39,1071 3.804,1072 0.126,1073 2.821,1074 3.653,1075 1.956,1076 8.577,1077 2.764,1078 1.937,1079 1.906,1080 2.085,1081 2.039,1082 1.41,1083 2.053,1084 1.775,1085 1.715,1086 2.008,1087 1.937,1088 1.246,1089 1.965,1090 1.637,1091 1.583,1092 1.86,1093 1.871,1094 1.076,1095 1.87,1096 1.555,1097 1.486,1098 1.819,1099 1.74,1100 1.026,1101 1.777,1102 1.287,1103 1.206,1104 1.613,1105 1.518,1106 0.835,1107 1.55,1108 1.165,1109 1.064,1110 1.538,1111 1.464,1112 0.605,1113 1.494,1114 1.017,1115 0.941,1116 1.35,1117 1.333,1118 0.557,1119 1.323,1120 0.886,1121 0.821,1122 1.19,1123 1.159,1124 0.3,1125 1.196,1126 3.807,1128 5.004,1130 6.392,1132 7.868,1134 9.391,1135 3.893,1139 9.07,1140 8.705,1141 5.57,1143 -0.567,1148 28.848,1149 70.157,1150 158.871,1151 219.894,1152 244.913,1153 258.913,1154 262.913,1155 62.911,1156 6.023,1157 61.36,1158 61.36,1159 6,1160 11.536,1161 3,1162 2.322,1163 58.641,1164 96,1165 104,1166 0.306,1167 185.911,1168 325.72,1169 445.382,1170 2806,1172 16.209,1173 0.737,1174 0.632,1175 16.209,1176 13.899,1177 10.706,1178 0.487,1179 0.381,1180 8.309,1181 10.412,1182 8.062,1183 6.851,1184 10.706,1185 8.388,1186 8.233,1187 0.317,1188 0.22,1189 8.233,1190 5.728,1191 6.491,1192 0.216,1193 0.13,1194 6.491,1195 3.888,1196 4.781,1197 0.149,1198 0.075,1199 4.781,1200 2.399,1201 3.076,1202 0.09,1203 0.044,1204 3.076,1205 1.486,1206 0.503,1207 66.488,1208 0.266,1209 22.758,1210 0.776,1211 96,1212 244.551,1213 103.095,1214 235.929,1215 309.38,1216 220,1217 104,1218 208.532,1219 110.958,1220 213.214,1221 304.02,1222 200,1223 5.553} {0 CHEMBL583979,1 1.349,2 12.818,3 3.434,4 11.789,5 90.726,6 5.894,7 0.273,8 3.973,9 4.124,10 3.287,11 3.452,12 4.949,13 3.379,14 4.534,15 4.751,16 3.522,17 3.82,18 5.416,19 3.687,20 4.853,21 5.136,22 3.565,23 3.933,24 5.734,25 3.765,26 4.849,27 5.14,28 3.476,29 3.876,30 5.76,31 3.703,32 4.768,33 5.056,34 3.422,35 3.802,36 5.754,37 3.627,38 4.638,39 4.921,40 3.266,41 3.733,42 5.462,43 3.549,44 4.585,45 4.883,46 3.171,47 3.667,48 5.339,49 3.466,50 4.495,51 4.787,52 3.067,53 3.534,54 5.314,55 3.343,56 0.076,57 0.695,58 12.848,59 5.123,60 9.962,61 7.381,62 0.182,63 1.061,64 21.691,65 8.301,66 21.424,67 12.198,68 0.331,69 1.26,70 28.967,71 9.953,72 50.073,73 15.073,74 0.347,75 1.2,76 28.855,77 9.443,78 55.616,79 14.465,80 0.42,81 1.089,82 26.571,83 9.001,84 71.493,85 13.521,86 0.208,87 1.014,88 23.081,89 8.195,90 33.764,91 12.356,92 0.149,93 0.948,94 21.499,95 7.951,96 24.454,97 11.949,98 0.182,99 0.827,100 19.854,101 6.996,102 30.012,103 10.458,104 39,105 26,106 0.232,107 0.523,108 0.703,109 0.814,110 0.86,111 0.873,112 3.144,113 1.15,114 -4.84,115 -4.75,116 -4.46,117 34.6,118 1,119 8,123 1,124 1,130 4,131 1,132 1,142 1,146 1,147 1,148 1,151 12,154 1,156 4,158 13,159 1,161 1,162 1,163 1,164 1,165 3,166 1,167 12,170 2,173 1,174 1,175 1,176 9,179 2,181 1,182 1,183 3,185 10,186 2,188 1,191 3,193 9,194 2,196 1,199 4,200 7,201 1,203 1,205 4,206 6,207 1,209 1,213 3,214 5,215 1,216 692,217 14.897,218 14.897,219 14.897,220 14.897,221 14.897,222 14.043,223 13.692,224 9.615,225 14.984,226 10.798,227 10.798,228 10.798,229 10.798,230 10.798,231 9.457,232 14.592,233 4.499,234 10.935,235 4.351,236 2.664,237 1.616,238 0.976,239 0.707,240 0.63,241 3.79,243 1,244 1,245 1,246 548,247 4.123,251 86.911,256 2.289,257 19.553,258 1,259 1,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.86,267 47,268 282,269 4.089,270 3.718,271 5.925,272 3.782,273 2.795,274 3.653,275 1.953,276 8.229,277 2.751,278 3.856,279 2.788,280 5.459,281 3.568,282 2.569,283 3.087,284 0.263,285 7.222,286 2.563,287 3.426,288 2.379,289 5.108,290 3.139,291 2.159,292 2.671,294 6.254,295 2.114,296 2.85,297 2.109,298 3.947,299 2.833,300 1.834,301 1.852,303 3.656,304 1.832,305 2.636,306 1.838,307 3.836,308 2.45,309 1.458,310 1.596,312 3.265,313 1.442,314 2.5,315 1.448,316 3.427,317 2.377,318 1.382,319 1.5,321 2.722,322 1.367,323 2.445,324 1.424,325 3.414,326 2,327 1,328 1.441,330 2.275,331 1,332 1.903,333 1,334 2.99,335 1.85,336 0.861,337 0.886,339 1.572,340 0.85,341 1.84,342 0.913,343 2.825,344 1.684,345 0.75,346 0.789,347 1.265,348 0.692,349 1.412,350 0.589,351 2.368,352 1.244,353 0.244,354 0.264,355 0.449,356 0.243,357 1.078,358 0.209,359 2.168,360 0.878,361 -0.121,362 -0.14,363 -0.24,364 -0.12,365 0.657,366 -0.139,367 2,368 0.451,369 -0.548,370 -0.572,371 -0.893,372 -0.515,373 0.5,374 -0.256,375 1.657,376 0.303,377 -0.599,378 -0.63,379 -1.097,380 -0.567,381 0.424,382 -0.586,383 1.512,384 0.116,385 -0.896,386 -1.051,387 -1.933,388 -0.902,389 0.336,390 -0.859,391 1.271,393 -1,394 -1.401,395 -2.554,396 -1,397 10.467,398 0.476,399 0.332,400 0.015,401 20.25,402 0.92,403 8,404 0.364,405 12.25,406 0.557,407 21.418,408 0.974,409 26.733,410 0.514,411 12.998,412 0.591,413 3.437,414 0.156,415 7.231,416 0.329,417 0.15,419 0.191,420 0.925,421 1.334,422 1.115,423 1.256,424 0.846,425 1.207,426 0.68,427 1.376,428 1.096,429 1.327,430 0.673,431 1.273,432 0.803,433 1.014,434 0.942,435 1.004,436 0.795,437 0.991,438 1.034,439 0.955,440 0.998,441 0.961,442 1.025,443 0.968,444 0.902,445 0.917,446 0.92,447 0.92,448 0.974,449 0.927,450 0.865,451 1.041,452 1.026,453 1.046,454 0.881,455 1.052,456 0.505,457 1.06,458 0.913,459 1.092,460 0.461,461 1.052,462 0.931,463 1.015,464 0.966,465 1.034,466 0.919,467 1.012,468 3.5,469 0.07,470 1.778,471 0.75,472 0.782,473 0.375,474 0.263,475 0.208,476 0.14,477 0.101,478 5188,479 10786,480 1.898,481 57.7,482 17,483 7,486 4,489 2,490 1.636,491 1.784,492 3.642,493 1.78,495 1,497 70.157,498 1.349,499 3.037,500 4.084,501 4.724,502 4.994,503 5.071,504 3.14,505 3.573,506 4.419,507 3.794,508 876.423,509 7.552,510 10671.2,511 1,512 1,513 296.423,514 1.309,515 4.391,516 0.159,517 0.006,518 0.068,519 0.029,520 0.034,521 0.017,522 0.014,523 0.012,524 0.009,525 0.008,526 0.357,528 0.88,529 2.628,530 106.226,531 -0.092,532 0.062,533 -0.021,534 0.053,535 -0.086,536 0.03,537 0.063,538 -0.184,539 -0.082,540 -0.153,541 0.018,542 -0.142,543 0.074,544 0.002,545 0.037,546 -0.006,547 0.066,548 0.006,549 -0.003,550 0.03,551 -0.007,552 -0.001,553 0.025,554 -0.003,555 0.168,556 0.037,557 0.064,558 0.054,559 0.17,560 0.047,561 -0.063,562 -0.026,563 -0.06,564 -0.031,565 -0.057,566 -0.043,567 0.042,568 -0.067,569 0.011,570 -0.073,571 0.035,572 -0.037,573 -0.027,574 -0.062,575 -0.006,576 -0.042,577 -0.025,578 -0.024,579 1.993,580 4.737,581 0.273,582 26.132,583 0.985,584 1.139,585 3.611,586 13.037,587 0.607,588 3.135,589 3.296,590 3.401,591 3.466,592 3.584,593 3.497,594 3.555,595 3.584,596 3.497,597 3.367,598 7.27,599 0.555,600 306.5,601 3.135,602 4.575,603 5.333,604 6.12,605 6.903,606 7.7,607 8.496,608 9.3,609 10.103,610 10.911,611 3.8,612 1,617 1,623 4,628 2,630 6,638 52,639 7,640 1,641 22,642 52,643 18,644 6,645 2,646 4,648 1,649 1,652 2,657 9,659 7,660 11,662 1,664 1,667 1,668 1,669 1,670 30,671 4,672 4,673 4,677 2,681 1,682 2,683 1,693 1,700 1,704 1,708 1,710 1,712 1,715 22,716 1,717 1,718 9,719 1,721 1,731 3.8,732 1,734 1,737 12.333,738 8.867,739 5.361,740 3.558,741 1.207,742 1.2,743 0.886,744 9.722,745 7.23,746 3.296,747 3.651,748 3.994,749 4.355,750 4.805,751 4.75,752 4.962,753 5.111,754 4.955,755 4.817,756 0.889,757 26,758 8.185,759 3.224,760 7.742,761 15.992,762 12.484,763 2.242,764 49.333,765 0.001,767 1,768 306.049,769 77.653,770 50.908,772 67.828,774 77.653,775 373.877,776 50.908,777 8.825,778 71.184,779 80.588,780 29.85,781 5.942,783 306.049,785 306.049,786 128.561,787 67.828,790 282.506,791 48.687,792 42.683,793 80.009,794 48.552,797 306.049,798 118.736,799 77.653,801 306.049,802 30.923,803 46.73,804 18.011,805 100.725,806 306.049,807 118.736,808 77.653,810 0.535,811 0.293,812 0.141,813 0.074,814 7,815 4,816 0.212,817 11,819 1,820 3.57,821 138.614,823 6,824 94.107,826 18.827,827 11.36,828 8.125,830 118.736,831 7.935,836 2.054,838 93.591,839 502.438,840 26,842 11.737,845 -0.252,846 51.229,847 59.228,848 0.237,849 0.533,850 0.716,851 0.829,852 0.876,853 0.889,854 4.449,855 0.861,856 5.231,857 2.275,858 3.97,859 4.331,860 2.027,861 5.861,862 3.947,863 5.538,864 0.75,865 6.681,866 1.572,867 3.219,868 3.829,869 1.593,870 6.418,871 3.19,872 6.757,873 0.244,874 8.234,875 1.265,876 5.38,877 6.237,878 3.019,879 9.441,880 5.335,881 8.013,882 -0.121,883 9.85,884 0.449,885 5.485,886 6.572,887 3.114,888 10.835,889 5.43,890 9.306,891 -0.548,892 11.506,893 -0.24,894 7.048,895 8.46,896 4.198,897 13.319,898 6.98,899 10.623,900 -0.599,901 13.188,902 -0.893,903 7.581,904 9.173,905 4.555,906 15.058,907 7.501,908 11.957,909 -0.896,910 14.889,911 -1.097,912 8.863,913 10.832,914 5.456,915 17.33,916 8.77,917 2.795,918 -1,919 16.603,920 -1.933,921 9.621,922 11.745,923 5.952,924 19.234,925 9.514,926 2.569,927 8.229,928 18.327,929 -2.554,930 10.764,931 13.281,932 6.751,933 21.412,934 10.645,935 2.159,936 7.222,937 20.058,938 3.653,939 11.641,940 14.315,941 7.324,942 23.401,943 11.506,944 1.834,945 6.254,946 21.794,947 3.087,948 12.716,949 15.774,950 8.066,951 25.536,952 12.569,953 1.458,954 3.656,955 23.535,956 2.671,957 13.656,958 16.89,959 8.682,960 27.573,961 13.493,962 1.382,963 3.265,964 25.28,965 1.852,966 14.698,967 18.296,968 9.392,969 29.687,970 14.522,971 1,972 2.722,973 27.027,974 1.596,975 15.673,976 19.468,977 10.031,978 31.751,979 15.48,980 5531,981 8173,982 14.099,983 31.58,984 30.278,985 31.117,986 31.325,987 30.129,988 30.106,989 35.478,990 4.432,991 73.816,992 29.709,993 5.009,994 5.718,995 5.888,996 4.782,997 4.795,998 6.653,999 3.416,1000 14.264,1001 4.751,1002 12.391,1003 1.376,1004 1.414,1005 1.424,1006 1.369,1007 1.368,1008 1.613,1009 0.201,1010 3.355,1011 1.35,1012 3.962,1013 4,1014 3.891,1015 3.887,1016 7.429,1017 3.882,1018 3.761,1019 3.824,1020 3.625,1021 3.638,1022 6.456,1023 3.619,1024 3.717,1025 3.77,1026 3.581,1027 3.543,1028 4.982,1029 3.551,1030 3.533,1031 3.607,1032 3.347,1033 3.395,1034 4.743,1035 3.373,1036 3.317,1037 3.381,1038 3.169,1039 3.113,1040 4.216,1041 3.105,1042 3.205,1043 3.281,1044 3.001,1045 2.966,1046 4.048,1047 2.976,1048 2.97,1049 3.076,1050 2.761,1051 2.748,1052 3.873,1053 2.733,1054 2.854,1055 2.929,1056 2.687,1057 2.735,1058 3.674,1059 2.715,1060 0.186,1061 0.169,1062 0.269,1063 0.172,1064 0.127,1065 4.089,1066 0.166,1067 3.718,1068 0.089,1069 5.925,1070 0.374,1071 3.782,1072 0.125,1073 2.795,1074 3.653,1075 1.953,1076 8.229,1077 2.751,1078 1.937,1079 1.906,1080 2.085,1081 2.04,1082 1.41,1083 2.053,1084 1.776,1085 1.715,1086 2.009,1087 1.938,1088 1.246,1089 1.966,1090 1.671,1091 1.619,1092 1.889,1093 1.877,1094 1.16,1095 1.886,1096 1.561,1097 1.491,1098 1.838,1099 1.742,1100 1.057,1101 1.779,1102 1.295,1103 1.219,1104 1.613,1105 1.537,1106 0.838,1107 1.554,1108 1.159,1109 1.096,1110 1.433,1111 1.455,1112 0.565,1113 1.466,1114 0.961,1115 0.87,1116 1.334,1117 1.256,1118 0.461,1119 1.275,1120 0.886,1121 0.821,1122 1.181,1123 1.132,1124 0.287,1125 1.152,1126 3.807,1128 5.004,1130 6.382,1132 7.847,1134 9.36,1135 2.233,1138 5.649,1139 8.778,1140 9.089,1141 2.769,1143 -0.659,1148 28.848,1149 70.157,1150 157.909,1151 212.365,1152 245.668,1153 259.668,1154 263.668,1155 66.444,1156 6.023,1157 75.35,1158 75.35,1159 6,1160 11.503,1161 3,1162 2.322,1163 58.649,1164 97,1165 104,1166 0.302,1167 185.911,1168 325.72,1169 445.382,1170 2836,1172 16.209,1173 0.737,1174 0.622,1175 16.209,1176 13.684,1177 10.668,1178 0.485,1179 0.383,1180 8.369,1181 10.414,1182 8.165,1183 6.903,1184 10.668,1185 8.433,1186 8.422,1187 0.324,1188 0.224,1189 8.422,1190 5.823,1191 6.353,1192 0.219,1193 0.132,1194 6.353,1195 3.817,1196 4.467,1197 0.144,1198 0.076,1199 4.467,1200 2.369,1201 3.293,1202 0.094,1203 0.044,1204 3.293,1205 1.528,1206 0.497,1207 65.991,1208 0.266,1209 22.826,1210 0.762,1211 96,1212 239.53,1213 102.734,1214 232.601,1215 303.86,1216 216,1217 103,1218 205.039,1219 109.071,1220 209.076,1221 297.38,1222 197,1223 5.854} {0 CHEMBL584561,1 1.349,2 12.909,3 3.378,4 11.411,5 90.696,6 5.894,7 0.273,8 3.973,9 4.124,10 3.287,11 3.452,12 4.947,13 3.379,14 4.535,15 4.754,16 3.517,17 3.821,18 5.412,19 3.69,20 4.844,21 5.122,22 3.577,23 3.938,24 5.775,25 3.768,26 4.86,27 5.149,28 3.418,29 3.871,30 5.809,31 3.683,32 4.74,33 5.047,34 3.305,35 3.792,36 5.485,37 3.593,38 4.631,39 4.917,40 3.295,41 3.724,42 5.461,43 3.544,44 4.568,45 4.85,46 3.223,47 3.664,48 5.413,49 3.482,50 4.532,51 4.832,52 3.074,53 3.568,54 5.321,55 3.367,56 0.076,57 0.695,58 12.848,59 5.123,60 9.853,61 7.381,62 0.194,63 1.061,64 21.742,65 8.279,66 22.444,67 12.164,68 0.357,69 1.252,70 28.797,71 10.159,72 56.795,73 15.199,74 0.485,75 1.194,76 29.278,77 9.513,78 75.873,79 14.532,80 0.207,81 1.078,82 25.055,83 9.052,84 32.258,85 13.63,86 0.184,87 0.986,88 22.755,89 8.403,90 33.455,91 12.426,92 0.171,93 0.946,94 21.494,95 7.682,96 30.985,97 11.579,98 0.173,99 0.867,100 20.464,101 7.216,102 28.309,103 10.912,104 39,105 26,106 0.232,107 0.53,108 0.717,109 0.8,110 0.86,111 0.873,112 3.143,113 1.144,114 -4.57,115 -4.5,116 -4.23,117 34.6,118 1,119 7,123 2,124 1,130 4,131 2,142 1,146 1,147 1,148 1,151 14,154 1,156 1,158 15,162 1,163 1,164 2,165 2,166 2,167 13,170 1,172 1,173 1,174 2,176 10,179 2,183 2,185 9,186 1,188 2,191 4,193 8,194 2,196 1,199 5,200 7,201 2,203 1,205 4,206 6,207 1,209 1,213 3,214 5,215 1,216 700,217 14.897,218 14.897,219 14.897,220 14.897,221 14.897,222 14.043,223 12.595,224 9.459,225 14.965,226 10.743,227 10.743,228 10.743,229 10.743,230 10.743,231 9.376,232 12.117,233 4.41,234 10.853,235 4.351,236 2.623,237 1.534,238 1.053,239 0.707,240 0.63,241 3.79,243 1,244 1,245 1,246 552,247 4.123,251 87.238,256 2.372,257 18.987,258 1,259 1,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.86,267 47,268 284,269 4.048,270 3.711,271 5.866,272 3.723,273 2.732,274 3.638,275 1.955,276 7.894,277 2.701,278 3.882,279 2.848,280 5.487,281 3.62,282 2.622,283 3.063,284 0.575,285 7.361,286 2.614,287 3.482,288 2.515,289 5.127,290 3.204,291 2.209,292 2.756,293 0.138,294 6.362,295 2.198,296 2.85,297 2.139,298 3.966,299 2.835,300 1.836,301 1.852,303 3.654,304 1.835,305 2.59,306 1.841,307 3.839,308 2.437,309 1.455,310 1.555,312 3.299,313 1.431,314 2.5,315 1.445,316 3.434,317 2.361,318 1.386,319 1.5,321 2.735,322 1.336,323 2.448,324 1.219,325 3.414,326 2,327 1,328 1.444,330 2.275,331 1,332 1.942,333 1,334 3.045,335 1.862,336 0.862,337 0.899,339 1.62,340 0.861,341 1.758,342 0.971,343 2.822,344 1.539,345 0.564,346 0.632,347 1.122,348 0.543,349 1.266,350 0.841,351 2.346,352 1.173,353 0.199,354 0.206,355 0.329,356 0.19,357 1.193,358 0.36,359 2.165,360 0.984,361 0.08,362 0.085,363 0.117,364 0.072,365 0.895,366 -0.013,367 2,368 0.678,369 -0.324,370 -0.366,371 -0.623,372 -0.324,373 0.5,374 -0.349,375 1.688,376 0.304,377 -0.701,378 -0.771,379 -1.347,380 -0.702,381 0.417,382 -0.652,383 1.541,385 -1,386 -1.217,387 -2.415,388 -1,389 0.188,390 -0.926,391 1.269,392 -0.08,393 -1.098,394 -1.363,395 -2.762,396 -1.108,397 10.467,398 0.476,399 0.332,400 0.015,401 19.75,402 0.898,403 7.5,404 0.341,405 12.25,406 0.557,407 21.384,408 0.972,409 26.733,410 0.514,411 12.811,412 0.582,413 3.485,414 0.158,415 7.183,416 0.327,417 0.15,419 0.191,420 0.925,421 1.334,422 1.115,423 1.256,424 0.849,425 1.207,426 0.728,427 1.298,428 1.11,429 1.278,430 0.699,431 1.245,432 0.684,433 1.051,434 0.94,435 1.07,436 0.714,437 1.043,438 1.072,439 0.929,440 1.069,441 0.946,442 1.099,443 0.999,444 0.641,445 0.911,446 0.859,447 0.939,448 0.601,449 0.924,450 0.775,451 1.026,452 0.893,453 1.025,454 0.811,455 0.987,456 0.752,457 1.112,458 0.99,459 1.111,460 0.746,461 1.081,462 0.746,463 1.021,464 0.946,465 1.044,466 0.674,467 1.02,468 3.5,469 0.07,470 2,471 0.5,472 0.542,473 0.458,474 0.264,475 0.193,476 0.16,477 0.101,478 5300,479 11186,480 1.898,481 57.7,482 17,483 9,486 4,490 1.635,491 1.784,492 3.653,493 1.78,494 1,495 1,497 70.157,498 1.349,499 3.078,500 4.166,501 4.647,502 4.994,503 5.071,504 3.14,505 3.482,506 4.421,507 3.819,508 882.231,509 7.549,510 10862.6,511 1,512 1,513 296.423,514 1.309,515 4.391,516 0.159,517 0.006,518 0.077,519 0.019,520 0.026,521 0.023,522 0.013,523 0.011,524 0.011,525 0.008,526 0.353,528 0.88,529 2.628,530 106.643,531 -0.092,532 0.062,533 -0.021,534 0.053,535 -0.089,536 0.03,537 0.038,538 -0.102,539 -0.092,540 -0.113,541 -0.005,542 -0.12,543 0.166,544 -0.029,545 0.036,546 -0.051,547 0.148,548 -0.031,549 0.066,550 0.041,551 -0.071,552 0.006,553 0.059,554 -0.041,555 0.016,556 0.046,557 0.069,558 0.047,559 0.036,560 0.064,561 0.01,562 -0.052,563 0.057,564 0.004,565 0.032,566 0.03,567 -0.01,568 -0.094,569 -0.031,570 -0.087,571 0.01,572 -0.064,574 -0.058,575 -0.004,576 -0.059,577 0.002,578 -0.033,579 2.174,580 4.468,581 0.273,582 26.711,583 0.985,584 1.139,585 3.343,586 11.174,587 0.607,588 3.135,589 3.296,590 3.401,591 3.401,592 3.526,593 3.497,594 3.497,595 3.526,596 3.555,597 3.434,598 7.413,599 0.555,600 306.5,601 3.135,602 4.575,603 5.333,604 6.111,605 6.891,606 7.678,607 8.467,608 9.261,609 10.057,610 10.855,611 3.8,612 1,617 1,623 4,628 2,630 6,638 52,639 7,640 1,641 22,642 52,643 18,644 6,645 2,646 4,648 1,649 1,652 2,657 8,659 7,660 11,662 1,664 1,667 1,668 1,669 1,670 30,671 4,672 4,673 4,677 2,681 1,682 2,683 1,693 1,700 1,704 1,708 1,710 1,712 1,715 22,716 1,717 1,718 9,719 1,721 1,731 3.8,732 1,734 1,737 12.333,738 8.867,739 5.361,740 3.496,741 1.207,742 1.2,743 0.886,744 9.722,745 7.23,746 3.296,747 3.651,748 3.994,749 4.289,750 4.745,751 4.697,752 4.791,753 4.981,754 5.119,755 4.933,756 0.889,757 26,758 8.184,759 3.221,760 7.742,761 15.992,762 12.476,763 2.242,764 49.333,765 0.001,767 1,768 306.049,769 77.653,770 50.908,772 67.828,774 77.653,775 373.877,776 50.908,777 8.825,778 70.755,779 80.588,780 29.85,781 6.371,783 306.049,785 306.049,786 128.561,787 67.828,790 306.049,791 25.145,792 42.683,793 79.581,794 48.981,797 306.049,798 118.736,799 77.653,801 306.049,802 30.923,803 46.73,804 18.011,805 100.725,806 306.049,807 118.736,808 77.653,810 0.539,811 0.299,812 0.13,813 0.065,814 7,815 4,816 0.212,817 11,819 1,820 3.59,821 137.447,823 6,824 94.107,826 18.827,827 11.36,828 8.125,830 118.736,831 8.327,836 2.391,838 93.591,839 502.438,840 26,842 11.468,845 -0.321,846 51.229,847 59.228,848 0.237,849 0.54,850 0.731,851 0.815,852 0.876,853 0.889,854 4.449,855 0.862,856 5.231,857 2.275,858 3.97,859 4.331,860 2.096,861 5.849,862 3.951,863 5.538,864 0.564,865 6.681,866 1.62,867 3.219,868 3.829,869 1.593,870 6.418,871 3.214,872 6.757,873 0.199,874 8.232,875 1.122,876 5.38,877 6.237,878 3.034,879 9.39,880 5.346,881 8.013,882 0.08,883 9.844,884 0.329,885 5.485,886 6.572,887 3.114,888 10.79,889 5.459,890 9.305,891 -0.324,892 11.495,893 0.117,894 7.038,895 8.454,896 4.205,897 13.218,898 6.991,899 10.619,900 -0.701,901 13.172,902 -0.623,903 7.56,904 9.159,905 4.559,906 14.95,907 7.514,908 11.95,909 -1,910 14.867,911 -1.347,912 8.833,913 10.816,914 5.462,915 17.168,916 8.772,917 2.732,918 -1.098,919 16.574,920 -2.415,921 9.572,922 11.717,923 5.959,924 19.053,925 9.508,926 2.622,927 7.894,928 18.29,929 -2.762,930 10.706,931 13.252,932 6.759,933 21.179,934 10.629,935 2.209,936 7.361,937 20.013,938 3.638,939 11.561,940 14.274,941 7.332,942 23.141,943 11.478,944 1.836,945 6.362,946 21.741,947 3.063,948 12.624,949 15.734,950 8.075,951 25.224,952 12.531,953 1.455,954 3.654,955 23.474,956 2.756,957 13.541,958 16.837,959 8.692,960 27.225,961 13.44,962 1.386,963 3.299,964 25.209,965 1.852,966 14.569,967 18.245,968 9.403,969 29.29,970 14.458,971 1,972 2.735,973 26.947,974 1.555,975 15.519,976 19.406,977 10.043,978 31.313,979 15.399,980 5639,981 8401,982 14.099,983 31.58,984 29.92,985 31.279,986 31.456,987 29.782,988 29.886,989 35.261,990 5.335,991 73.536,992 29.561,993 4.967,994 5.711,995 5.83,996 4.723,997 4.732,998 6.638,999 3.419,1000 13.581,1001 4.701,1002 12.505,1003 1.36,1004 1.422,1005 1.43,1006 1.354,1007 1.358,1008 1.603,1009 0.243,1010 3.343,1011 1.344,1012 3.967,1013 4.003,1014 3.891,1015 3.903,1016 7.429,1017 3.895,1018 3.76,1019 3.824,1020 3.626,1021 3.642,1022 6.456,1023 3.621,1024 3.708,1025 3.758,1026 3.587,1027 3.496,1028 4.97,1029 3.518,1030 3.54,1031 3.613,1032 3.357,1033 3.401,1034 4.731,1035 3.382,1036 3.324,1037 3.405,1038 3.151,1039 3.152,1040 4.215,1041 3.137,1042 3.172,1043 3.26,1044 2.971,1045 2.945,1046 4.078,1047 2.934,1048 2.947,1049 3.016,1050 2.764,1051 2.735,1052 3.957,1053 2.715,1054 2.854,1055 2.945,1056 2.687,1057 2.694,1058 3.684,1059 2.701,1060 0.184,1061 0.169,1062 0.267,1063 0.169,1064 0.124,1065 4.048,1066 0.165,1067 3.711,1068 0.089,1069 5.866,1070 0.359,1071 3.723,1072 0.123,1073 2.732,1074 3.638,1075 1.955,1076 7.894,1077 2.701,1078 1.951,1079 1.922,1080 2.095,1081 2.043,1082 1.411,1083 2.06,1084 1.778,1085 1.717,1086 2.018,1087 1.937,1088 1.259,1089 1.968,1090 1.627,1091 1.576,1092 1.865,1093 1.868,1094 1.115,1095 1.858,1096 1.562,1097 1.496,1098 1.796,1099 1.747,1100 0.979,1101 1.783,1102 1.328,1103 1.252,1104 1.636,1105 1.553,1106 0.885,1107 1.58,1108 1.157,1109 1.07,1110 1.477,1111 1.428,1112 0.669,1113 1.452,1114 0.914,1115 0.832,1116 1.303,1117 1.224,1118 0.491,1119 1.235,1120 0.886,1121 0.821,1122 1.181,1123 1.163,1124 0.255,1125 1.19,1126 3.807,1128 5.004,1130 6.382,1132 7.84,1134 9.343,1135 2.238,1138 5.441,1139 8.803,1140 9.11,1141 2.717,1143 -0.841,1148 28.848,1149 70.157,1150 160.051,1151 216.648,1152 241.668,1153 259.668,1154 263.668,1155 64.107,1156 6.023,1157 75.35,1158 75.35,1159 6,1160 11.454,1161 3,1162 2.322,1163 58.69,1164 99,1165 104,1166 0.294,1167 185.911,1168 325.72,1169 445.382,1170 2888,1172 16.209,1173 0.737,1174 0.622,1175 16.209,1176 13.684,1177 10.668,1178 0.485,1179 0.381,1180 8.323,1181 10.419,1182 8.108,1183 6.856,1184 10.668,1185 8.39,1186 8.383,1187 0.322,1188 0.225,1189 8.383,1190 5.841,1191 6.578,1192 0.227,1193 0.132,1194 6.578,1195 3.842,1196 4.208,1197 0.145,1198 0.081,1199 4.208,1200 2.336,1201 3.091,1202 0.094,1203 0.047,1204 3.091,1205 1.563,1206 0.487,1207 66.037,1208 0.266,1209 22.908,1210 0.737,1211 96,1212 239.53,1213 102.401,1214 232.431,1215 302.16,1216 216,1217 103,1218 200.475,1219 109.292,1220 205.546,1221 292.1,1222 193,1223 5} {0 CHEMBL585551,1 1.332,2 13.522,3 3.44,4 11.836,5 95.561,6 5.828,7 0.261,8 4.026,9 4.178,10 3.33,11 3.506,12 4.984,13 3.43,14 4.594,15 4.815,16 3.557,17 3.878,18 5.456,19 3.742,20 4.907,21 5.189,22 3.604,23 3.999,24 5.765,25 3.824,26 4.923,27 5.214,28 3.494,29 3.938,30 5.804,31 3.754,32 4.841,33 5.143,34 3.429,35 3.858,36 5.759,37 3.668,38 4.703,39 4.992,40 3.345,41 3.79,42 5.513,43 3.605,44 4.645,45 4.929,46 3.265,47 3.74,48 5.458,49 3.553,50 4.594,51 4.894,52 3.172,53 3.671,54 5.344,55 3.468,56 0.08,57 0.734,58 13.635,59 5.466,60 9.546,61 7.877,62 0.201,63 1.123,64 23.054,65 8.842,66 21.177,67 12.981,68 0.323,69 1.335,70 30.376,71 10.807,72 47.908,73 16.198,74 0.378,75 1.288,76 30.905,77 10.077,78 57.013,79 15.488,80 0.428,81 1.167,82 28.176,83 9.562,84 67.839,85 14.498,86 0.198,87 1.058,88 24.315,89 8.965,90 33.646,91 13.295,92 0.201,93 1.018,94 23.101,95 8.318,96 31.942,97 12.486,98 0.15,99 0.953,100 21.574,101 7.988,102 23.929,103 11.999,104 42,105 27,106 0.226,107 0.512,108 0.704,109 0.807,110 0.863,111 0.875,112 3.185,113 1.16,114 -4.81,115 -4.72,116 -4.43,117 34.5,118 1,119 8,123 2,124 1,130 4,131 2,142 1,146 1,147 1,148 1,151 14,154 1,156 3,158 15,159 1,161 1,162 1,163 1,164 1,165 3,166 1,167 13,170 1,173 1,174 2,175 1,176 10,179 2,181 1,182 1,183 2,185 10,186 1,188 2,191 3,193 10,194 2,196 1,199 4,200 9,201 2,203 1,205 4,206 7,207 1,209 1,213 4,214 6,215 1,216 834,217 15.604,218 15.604,219 15.604,220 15.604,221 15.604,222 14.75,223 13.917,224 10.064,225 15.689,226 11.281,227 11.281,228 11.281,229 11.281,230 11.281,231 9.914,232 13.587,233 4.705,234 11.402,235 4.449,236 2.772,237 1.637,238 1.032,239 0.705,240 0.632,241 3.834,243 1,244 1,245 1,246 605,247 4.243,251 92.208,256 2.499,257 20.06,258 1,259 1,260 0.83,261 0.83,262 1,263 1,264 0.83,265 0.5,266 0.86,267 49,268 311,269 4.048,270 3.709,271 5.876,272 3.731,273 2.738,274 3.638,275 1.955,276 7.956,277 2.712,278 3.887,279 2.848,280 5.488,281 3.625,282 2.625,283 3.067,284 0.575,285 7.366,286 2.622,287 3.483,288 2.515,289 5.127,290 3.206,291 2.211,292 2.757,293 0.138,294 6.365,295 2.2,296 2.85,297 2.127,298 4.046,299 2.835,300 1.836,301 1.853,303 3.662,304 1.835,305 2.687,306 1.841,307 3.84,308 2.516,309 1.541,310 1.662,312 3.564,313 1.492,314 2.5,315 1.448,316 3.437,317 2.413,318 1.414,319 1.5,321 2.741,322 1.412,323 2.45,324 1.445,325 3.414,326 2,327 1,328 1.448,330 2.275,331 1,332 1.977,333 1.217,334 3.137,335 1.888,336 0.928,337 0.955,339 1.72,340 0.886,341 1.864,342 1,343 2.878,344 1.776,345 0.822,346 0.845,347 1.449,348 0.78,349 1.715,350 0.844,351 2.591,352 1.445,353 0.452,354 0.524,355 0.876,356 0.443,357 1.264,358 0.365,359 2.251,360 1.155,361 0.156,362 0.166,363 0.278,364 0.155,365 0.895,366 0.012,367 2,368 0.681,369 -0.319,370 -0.358,371 -0.614,372 -0.318,373 0.5,374 -0.163,375 1.923,376 0.307,377 -0.591,378 -0.595,379 -0.902,380 -0.526,381 0.441,382 -0.359,383 1.584,384 0.3,385 -0.701,386 -0.772,387 -1.347,388 -0.703,389 0.404,390 -0.653,391 1.423,393 -1,394 -1.218,395 -2.415,396 -1,397 10.967,398 0.477,399 0.332,400 0.014,401 20.25,402 0.88,403 7.5,404 0.326,405 12.75,406 0.554,407 23.148,408 1.006,409 28.033,410 0.51,411 13.143,412 0.571,413 3.498,414 0.152,415 7.67,416 0.333,417 0.143,419 0.182,420 0.925,421 1.342,422 1.129,423 1.269,424 0.847,425 1.222,426 0.727,427 1.309,428 1.125,429 1.291,430 0.688,431 1.258,432 0.754,433 1.058,434 0.95,435 1.054,436 0.791,437 1.031,438 1.132,439 0.992,440 1.059,441 0.982,442 1.155,443 1.005,444 0.799,445 0.862,446 0.91,447 0.888,448 0.782,449 0.906,450 0.792,451 1.016,452 0.908,453 1.015,454 0.847,455 0.985,456 0.867,457 1.053,458 1.019,459 1.054,460 0.868,461 1.054,462 0.524,463 1.056,464 0.912,465 1.081,466 0.478,467 1.042,468 3.5,469 0.083,470 2,471 0.625,472 0.622,473 0.458,474 0.264,475 0.193,476 0.16,477 0.111,478 6037,479 12347,480 1.902,481 58.2,482 17,483 9,486 4,489 2,490 1.648,491 1.792,492 3.717,493 1.736,495 1,497 73.264,498 1.332,499 3.01,500 4.144,501 4.749,502 5.077,503 5.149,504 3.295,505 4.35,506 4.484,507 3.881,508 981.773,509 7.679,510 12563.1,511 1,512 1,513 317.975,514 1.28,515 4.458,516 0.152,517 0.007,518 0.074,519 0.023,520 0.027,521 0.021,522 0.013,523 0.01,524 0.009,525 0.007,526 0.344,528 0.88,529 2.671,530 113.413,531 -0.087,532 0.059,533 -0.02,534 0.05,535 -0.083,536 0.028,537 0.038,538 -0.11,539 -0.098,540 -0.121,541 0.005,542 -0.127,543 0.089,544 -0.039,545 0.026,546 -0.036,547 0.063,548 -0.019,549 -0.037,550 -0.005,551 -0.059,552 -0.026,553 -0.031,554 -0.043,555 0.169,556 0.094,557 0.061,558 0.067,559 0.177,560 0.056,561 0.003,562 -0.036,563 0.047,564 0.008,565 0.023,566 0.028,567 -0.054,568 -0.04,569 -0.05,570 -0.034,571 -0.049,572 -0.041,573 0.042,574 -0.063,575 0.017,576 -0.066,577 0.035,578 -0.03,579 1.966,580 4.675,581 0.261,582 28.817,583 0.984,584 1.139,585 3.575,586 12.781,587 0.606,588 3.178,589 3.332,590 3.434,591 3.466,592 3.584,593 3.526,594 3.526,595 3.584,596 3.611,597 3.497,598 7.697,599 0.552,600 320.53,601 3.178,602 4.615,603 5.371,604 6.151,605 6.929,606 7.717,607 8.506,608 9.301,609 10.096,610 10.896,611 3.6,612 1,617 1,623 4,628 2,630 6,638 55,639 7,640 1,641 23,642 55,643 19,644 6,645 2,646 4,648 1,649 1,652 2,657 9,659 7,660 12,662 1,664 1,667 1,668 1,669 1,670 32,671 4,672 4,673 4,677 2,681 1,682 2,683 1,693 1,700 1,704 1,708 1,710 1,712 1,715 23,716 1,717 1,718 10,719 1,721 1,731 3.6,732 1,734 1,737 12.833,738 9.367,739 5.611,740 3.746,741 1.196,742 1.196,743 0.887,744 10.544,745 7.303,746 3.332,747 3.676,748 4.012,749 4.316,750 4.771,751 4.706,752 4.799,753 5.001,754 5.145,755 4.981,756 1,757 27,758 8.564,759 3.362,760 7.71,761 16.809,762 13.143,763 2.21,764 50.833,767 1,768 329.591,769 80.188,770 50.908,772 67.828,774 80.188,775 397.419,776 50.908,777 8.825,778 73.29,779 80.588,780 29.85,781 6.371,783 329.591,785 329.591,786 131.096,787 67.828,790 306.049,791 48.687,792 42.683,793 82.115,794 48.981,797 329.591,798 118.736,799 80.188,801 329.591,802 33.458,803 46.73,804 18.011,805 100.725,806 329.591,807 118.736,808 80.188,810 0.535,811 0.293,812 0.137,813 0.071,814 7,815 4,816 0.218,817 12,819 1,820 3.699,821 146.024,823 6,824 100.042,826 19.825,827 12.232,828 8.848,830 118.736,831 8.4,836 2.425,838 93.591,839 528.515,840 27,842 11.675,845 -0.213,846 54.112,847 62.643,848 0.23,849 0.521,850 0.717,851 0.822,852 0.878,853 0.891,854 4.483,855 0.928,856 5.263,857 2.275,858 4.007,859 4.357,860 2.096,861 5.878,862 3.989,863 5.565,864 0.822,865 6.706,866 1.72,867 3.219,868 3.829,869 1.593,870 6.418,871 3.214,872 6.779,873 0.452,874 8.251,875 1.449,876 5.407,877 6.249,878 3.034,879 9.417,880 5.377,881 8.03,882 0.156,883 9.86,884 0.876,885 5.485,886 6.572,887 3.114,888 10.805,889 5.467,890 9.318,891 -0.319,892 11.509,893 0.278,894 7.06,895 8.459,896 4.205,897 13.25,898 7.02,899 10.63,900 -0.591,901 13.184,902 -0.614,903 7.567,904 9.16,905 4.559,906 14.979,907 7.533,908 11.959,909 -0.701,910 14.879,911 -0.902,912 8.854,913 10.819,914 5.462,915 17.21,916 8.803,917 2.738,918 -1,919 16.586,920 -1.347,921 9.585,922 11.719,923 5.959,924 19.096,925 9.536,926 2.625,927 7.956,928 18.303,929 -2.415,930 10.727,931 13.254,932 6.759,933 21.233,934 10.665,935 2.211,936 7.366,937 20.026,938 3.638,939 11.58,940 14.276,941 7.332,942 23.198,943 11.515,944 1.836,945 6.365,946 21.755,947 3.067,948 12.648,949 15.735,950 8.075,951 25.291,952 12.573,953 1.541,954 3.662,955 23.488,956 2.757,957 13.565,958 16.839,959 8.692,960 27.297,961 13.485,962 1.414,963 3.564,964 25.225,965 1.853,966 14.596,967 18.247,968 9.403,969 29.371,970 14.507,971 1,972 2.741,973 26.965,974 1.662,975 15.548,976 19.407,977 10.043,978 31.401,979 15.453,980 6406,981 9354,982 14.792,983 33.341,984 31.626,985 32.499,986 32.714,987 31.469,988 31.445,989 36.826,990 5.335,991 76.504,992 31.074,993 4.97,994 5.709,995 5.839,996 4.731,997 4.738,998 6.638,999 3.419,1000 13.729,1001 4.712,1002 12.881,1003 1.375,1004 1.413,1005 1.422,1006 1.368,1007 1.367,1008 1.601,1009 0.232,1010 3.326,1011 1.351,1012 3.968,1013 4.004,1014 3.892,1015 3.903,1016 7.429,1017 3.896,1018 3.762,1019 3.825,1020 3.647,1021 3.642,1022 6.456,1023 3.621,1024 3.74,1025 3.793,1026 3.59,1027 3.557,1028 4.981,1029 3.569,1030 3.545,1031 3.619,1032 3.363,1033 3.411,1034 4.731,1035 3.389,1036 3.377,1037 3.448,1038 3.22,1039 3.178,1040 4.215,1041 3.171,1042 3.232,1043 3.308,1044 3.043,1045 3.015,1046 4.079,1047 3.015,1048 3.073,1049 3.172,1050 2.855,1051 2.842,1052 3.958,1053 2.834,1054 2.871,1055 2.979,1056 2.687,1057 2.735,1058 3.689,1059 2.715,1060 0.176,1061 0.161,1062 0.255,1063 0.162,1064 0.119,1065 4.048,1066 0.158,1067 3.709,1068 0.085,1069 5.876,1070 0.346,1071 3.731,1072 0.118,1073 2.738,1074 3.638,1075 1.955,1076 7.956,1077 2.712,1078 1.951,1079 1.922,1080 2.095,1081 2.043,1082 1.411,1083 2.061,1084 1.779,1085 1.718,1086 2.019,1087 1.941,1088 1.26,1089 1.969,1090 1.683,1091 1.631,1092 1.895,1093 1.895,1094 1.164,1095 1.899,1096 1.574,1097 1.505,1098 1.852,1099 1.753,1100 1.104,1101 1.792,1102 1.352,1103 1.279,1104 1.646,1105 1.597,1106 0.895,1107 1.607,1108 1.214,1109 1.139,1110 1.514,1111 1.475,1112 0.681,1113 1.5,1114 1.045,1115 0.966,1116 1.375,1117 1.358,1118 0.509,1119 1.371,1120 0.886,1121 0.821,1122 1.288,1123 1.169,1124 0.42,1125 1.216,1126 3.85,1128 5.043,1130 6.415,1132 7.871,1134 9.372,1135 2.24,1138 5.642,1139 8.773,1140 9.724,1141 2.8,1143 -0.632,1148 30.374,1149 73.264,1150 165.529,1151 227.917,1152 261.22,1153 279.22,1154 283.22,1155 71.954,1156 6.107,1157 75.35,1158 75.35,1159 6,1160 11.495,1161 3,1162 2.322,1163 63.129,1164 106,1165 115,1166 0.29,1167 195.503,1168 343.02,1169 468.787,1170 3257,1172 16.916,1173 0.735,1174 0.626,1175 16.916,1176 14.391,1177 11.168,1178 0.486,1179 0.387,1180 8.823,1181 10.911,1182 8.601,1183 7.264,1184 11.168,1185 8.89,1186 8.764,1187 0.325,1188 0.229,1189 8.764,1190 6.171,1191 6.678,1192 0.223,1193 0.136,1194 6.678,1195 4.086,1196 4.545,1197 0.147,1198 0.081,1199 4.545,1200 2.524,1201 3.341,1202 0.095,1203 0.047,1204 3.341,1205 1.64,1206 0.482,1207 69.037,1208 0.26,1209 23.834,1210 0.726,1211 100,1212 243.53,1213 106.401,1214 236.462,1215 307.86,1216 220,1217 107,1218 204.475,1219 112.904,1220 209.34,1221 297.16,1222 197,1223 5.456} {0 CHEMBL67166,1 1.206,2 14,3 4.825,4 23.276,5 91.892,6 5.165,8 4.053,9 4.214,10 3.22,11 3.494,12 4.914,13 3.39,14 4.649,15 4.886,16 3.379,17 3.862,18 5.384,19 3.682,20 4.994,21 5.308,22 3.428,23 3.98,24 5.754,25 3.751,26 4.985,27 5.303,28 3.306,29 3.928,30 5.763,31 3.688,32 4.883,33 5.21,34 3.163,35 3.846,36 5.492,37 3.592,38 4.792,39 5.118,40 3.1,41 3.774,42 5.376,43 3.522,44 4.755,45 5.082,46 3.043,47 3.714,48 5.358,49 3.463,50 4.689,51 5.017,52 2.976,53 3.64,54 5.304,55 3.39,56 0.094,57 0.723,58 14.611,59 5.956,60 9.632,61 8.548,62 0.158,63 1.086,64 23.621,65 9.216,66 17.336,67 13.515,68 0.35,69 1.259,70 30.101,71 10.83,72 52.218,73 16.255,74 0.395,75 1.193,76 29.441,77 10.351,78 58.908,79 15.572,80 0.216,81 1.093,82 25.828,83 9.653,84 28.113,85 14.408,86 0.186,87 1.018,88 23.705,89 8.907,90 21.13,91 13.321,92 0.193,93 0.961,94 22.784,95 8.381,96 22.437,97 12.584,98 0.186,99 0.892,100 21.311,101 7.751,102 21.788,103 11.669,104 49,105 21,106 0.206,107 0.407,108 0.584,109 0.678,110 0.754,111 0.821,112 3.098,113 1.34,114 -5.27,115 -5.16,116 -4.82,117 31,118 1,119 12,123 1,124 2,127 2,146 1,147 1,148 1,151 14,156 1,158 13,164 2,165 2,166 2,167 12,168 1,173 1,174 3,176 11,177 1,183 3,185 10,186 1,191 3,193 9,194 1,199 3,200 8,201 1,205 3,206 7,207 1,213 3,214 6,215 1,216 708,217 14.261,218 14.261,219 14.261,220 14.261,221 14.261,222 14.054,223 5.97,224 9.613,225 14.333,226 9.794,227 9.794,228 9.794,229 9.794,230 9.794,231 9.462,232 4.517,233 4.544,234 9.953,235 4.652,236 3.476,237 2.438,238 1.887,239 1.443,240 1.047,241 3.725,244 1,245 1,246 550,247 4.583,256 2.381,257 16.173,259 1,260 0.83,261 0.83,262 0.6,263 1,264 0.83,265 0.5,266 0.8,267 44.5,268 294,269 3.761,270 3.059,271 5.861,272 3.655,273 2.698,274 2.824,275 0.765,276 7.859,277 2.574,278 3.053,279 2.09,280 4.056,281 2.959,282 1.959,283 2.062,285 3.931,286 1.958,287 2.929,288 1.933,289 3.938,290 2.84,291 1.842,292 1.928,294 3.736,295 1.838,296 2.76,297 1.817,298 3.785,299 2.66,300 1.667,301 1.753,303 3.428,304 1.656,305 2.518,306 1.674,307 3.559,308 2.448,309 1.466,310 1.509,312 2.995,313 1.438,314 2.242,315 1.407,316 3.275,317 2.218,318 1.242,319 1.242,321 2.444,322 1.207,323 2.017,324 1.066,325 2.954,326 1.937,327 0.956,328 0.983,330 1.805,331 0.934,332 1.728,333 0.841,334 2.626,335 1.602,336 0.618,337 0.655,339 1.122,340 0.606,341 1.345,342 0.655,343 2.314,344 1.244,345 0.272,346 0.284,347 0.456,348 0.261,349 1.118,350 0.316,351 2,352 0.992,353 0.105,354 0.106,355 0.15,356 0.093,357 0.904,358 0.022,359 1.709,360 0.802,361 -0.17,362 -0.179,363 -0.303,364 -0.166,365 0.495,366 -0.352,367 1.453,368 0.446,369 -0.538,370 -0.553,371 -0.995,372 -0.529,373 0.113,374 -0.738,375 1.261,376 0.094,377 -0.891,378 -0.892,379 -1.706,380 -0.872,381 -0.175,382 -0.968,383 1.104,384 -0.222,385 -1.198,386 -1.208,387 -2.382,388 -1.141,389 -0.3,390 -1.105,391 0.787,392 -0.387,393 -1.307,394 -1.31,395 -2.807,396 -1.229,397 10.067,398 0.479,399 0.195,400 0.009,401 11.75,402 0.56,403 1,404 0.048,405 10.75,406 0.512,407 25.84,408 1.23,409 27.733,410 0.478,411 5.205,412 0.248,413 1.349,414 0.064,415 8.87,416 0.422,417 0.156,419 0.099,420 1.113,421 1.454,422 1.341,423 1.445,424 1.155,425 1.416,426 0.865,427 1.497,428 1.3,429 1.49,430 0.848,431 1.447,432 0.671,433 1.021,434 0.939,435 1.037,436 0.643,437 1.017,438 0.996,439 0.942,440 1.003,441 0.961,442 0.973,443 0.981,444 0.748,445 0.961,446 0.926,447 0.977,448 0.726,449 0.973,450 0.645,451 1.002,452 0.933,453 1.017,454 0.633,455 1.005,456 0.766,457 0.971,458 0.937,459 0.982,460 0.755,461 0.978,462 0.809,463 0.961,464 0.936,465 0.969,466 0.804,467 0.966,468 2,469 0.05,470 1.333,471 0.5,472 0.24,473 0.167,474 0.122,475 0.094,476 0.074,477 0.06,478 4964,479 8625,480 1.822,481 63.8,482 27,483 6,486 4,490 1.617,491 1.726,492 3.788,493 1.781,497 69.954,498 1.206,499 2.382,500 3.42,501 3.971,502 4.415,503 4.811,504 3.273,505 3.916,506 4.361,507 3.96,508 831.657,509 7.4,510 10699.9,511 1,513 339.763,514 1.125,515 4.334,516 0.1,517 0.005,518 0.063,519 0.024,520 0.013,521 0.01,522 0.008,523 0.007,524 0.006,525 0.005,526 0.241,527 0.33,528 0.88,529 3.249,530 102.986,531 -0.106,532 0.077,533 -0.055,534 0.041,535 -0.134,536 0.005,537 -0.055,538 -0.234,539 -0.191,540 -0.231,541 -0.047,542 -0.226,543 0.149,544 -0.016,545 0.032,546 -0.035,547 0.175,548 -0.017,549 0.071,550 0.014,551 -0.023,552 0.004,553 0.095,554 -0.015,555 -0.013,556 -0.005,557 0.004,558 0.005,559 -0.007,560 0.006,561 0.001,562 -0.022,563 -0.003,564 -0.02,565 -0.007,566 -0.013,567 -0.014,568 -0.01,569 -0.002,570 -0.006,571 -0.021,572 -0.003,573 -0.017,574 -0.007,575 0.002,576 -0.002,577 -0.025,578 0.001,579 2.053,580 3.523,582 24.844,583 0.977,584 1.145,585 4.039,586 16.314,587 0.58,588 3.045,589 3.091,590 3.091,591 2.944,592 2.833,593 2.773,594 2.708,595 2.639,596 2.565,597 2.485,598 8.212,599 0.516,600 299.56,601 3.045,602 4.419,603 5.118,604 5.832,605 6.547,606 7.268,607 7.989,608 8.715,609 9.441,610 10.17,611 1.7,612 1,638 58,639 1,641 20,642 57,643 18,652 2,657 14,659 2,660 16,662 1,665 2,670 37,671 3,672 4,673 3,677 1,682 2,683 1,684 1,702 2,704 1,708 2,712 1,715 21,716 1,717 2,718 13,721 2,731 3.4,732 2,737 12.167,738 9.567,739 5.361,740 4.194,741 0.352,742 1.065,743 0.829,744 15.715,745 5.799,746 3.091,747 3.178,748 3.258,749 3.219,750 3.178,751 3.135,752 3.091,753 3.045,754 2.996,755 2.944,756 1,757 21,758 7.857,759 2.966,760 7.603,761 15.784,762 12.177,763 2.103,764 44.167,765 0.002,767 1,768 388.446,769 58.192,770 32.897,772 85.367,774 58.192,775 473.813,776 32.897,777 8.825,778 63.312,779 104.319,783 388.446,785 388.446,786 91.089,787 85.367,790 388.446,792 85.367,793 72.137,795 18.952,797 388.446,798 118.264,799 58.192,801 388.446,802 30.414,803 27.778,805 118.264,806 388.446,807 118.264,808 58.192,810 0.513,811 0.274,812 0.116,813 0.051,814 2,815 2,816 0.263,817 15,820 3.594,821 112.666,824 92.239,826 20.623,827 16.002,828 14.33,830 118.264,838 118.264,839 564.902,840 21,843 3.686,846 56.661,847 66.391,848 0.206,849 0.407,850 0.584,851 0.678,852 0.754,853 0.821,854 4.19,855 0.618,856 4.934,857 1.805,858 3.761,859 3.85,860 0.775,861 5.407,862 3.723,863 5.147,864 0.272,865 6.293,866 1.122,867 2.565,868 2.565,870 5.666,871 2.416,872 6.25,873 0.105,874 7.766,875 0.456,876 5.017,877 5.231,878 0.521,879 8.743,880 4.93,881 7.382,882 -0.17,883 9.32,884 0.15,885 4.796,886 4.875,888 10.096,889 4.539,890 8.557,891 -0.538,892 10.937,893 -0.303,894 6.538,895 6.878,896 0.336,897 12.561,898 6.372,899 9.759,900 -0.891,901 12.599,902 -0.995,903 6.874,904 7.059,906 14.331,907 6.526,908 10.986,909 -1.198,910 14.295,911 -1.706,912 8.249,913 8.696,914 0.21,915 16.574,916 7.975,917 2.698,918 -1.307,919 16.014,920 -2.382,921 8.899,922 9.198,924 18.505,925 8.461,926 1.959,927 7.859,928 17.75,929 -2.807,930 10.084,931 10.62,932 0.128,933 20.654,934 9.69,935 1.842,936 3.931,937 19.496,938 2.824,939 10.901,940 11.317,942 22.653,943 10.374,944 1.667,945 3.736,946 21.25,947 2.062,948 11.991,949 12.606,950 0.077,951 24.758,952 11.479,953 1.466,954 3.428,955 23.009,956 1.928,957 12.895,958 13.423,960 26.789,961 12.276,962 1.242,963 2.995,964 24.771,965 1.753,966 13.937,967 14.628,968 0.046,969 28.872,970 13.311,971 0.956,972 2.444,973 26.535,974 1.509,975 14.884,976 15.522,978 30.918,979 14.174,980 5447,981 7342,982 12.594,983 33.62,984 25.947,985 26.237,986 26.936,987 25.611,988 25.65,989 26.695,990 1.529,991 55.854,992 25.13,993 4.717,994 5.01,995 5.851,996 4.632,997 4.675,998 5.163,999 1.529,1000 13.467,1001 4.549,1002 12.338,1003 1.297,1004 1.312,1005 1.347,1006 1.281,1007 1.283,1008 1.335,1009 0.076,1010 2.793,1011 1.257,1012 3.861,1013 3.92,1014 3.719,1015 3.743,1016 6.467,1017 3.727,1018 3.772,1019 3.829,1020 3.627,1021 3.65,1022 6.44,1023 3.636,1024 3.689,1025 3.754,1026 3.522,1027 3.551,1028 4.972,1029 3.535,1030 3.565,1031 3.638,1032 3.385,1033 3.412,1034 4.34,1035 3.397,1036 3.417,1037 3.494,1038 3.227,1039 3.258,1040 4.23,1041 3.24,1042 3.248,1043 3.329,1044 3.036,1045 3.073,1046 4.11,1047 3.051,1048 3.069,1049 3.155,1050 2.833,1051 2.859,1052 3.938,1053 2.835,1054 2.902,1055 2.994,1056 2.652,1057 2.637,1058 3.716,1059 2.618,1060 0.188,1061 0.153,1062 0.293,1063 0.183,1064 0.135,1065 3.761,1066 0.141,1067 3.059,1068 0.038,1069 5.861,1070 0.393,1071 3.655,1072 0.129,1073 2.698,1074 2.824,1075 0.765,1076 7.859,1077 2.574,1078 1.84,1079 1.784,1080 2.082,1081 1.99,1082 1.444,1083 2.024,1084 1.782,1085 1.728,1086 2.02,1087 1.943,1088 1.353,1089 1.968,1090 1.695,1091 1.636,1092 1.932,1093 1.878,1094 1.219,1095 1.899,1096 1.578,1097 1.511,1098 1.846,1099 1.775,1100 1.12,1101 1.807,1102 1.434,1103 1.361,1104 1.733,1105 1.638,1106 1.007,1107 1.676,1108 1.266,1109 1.187,1110 1.59,1111 1.489,1112 0.822,1113 1.527,1114 1.081,1115 0.993,1116 1.442,1117 1.343,1118 0.643,1119 1.377,1120 0.89,1121 0.795,1122 1.296,1123 1.217,1124 0.498,1125 1.237,1126 3.714,1128 4.828,1130 6.094,1132 7.43,1134 8.807,1135 2.261,1138 5.512,1139 18.313,1140 15.671,1143 -1.277,1148 29.933,1149 69.954,1150 138.129,1151 198.371,1152 230.298,1153 256.095,1154 279.034,1155 113.738,1156 5.447,1157 66.48,1158 66.48,1160 10.829,1161 1,1162 1,1163 99.136,1164 104,1165 100,1166 0.444,1167 195.292,1168 345.9,1169 468.272,1170 1446,1172 15.761,1173 0.751,1174 0.665,1175 15.761,1176 13.974,1177 10.219,1178 0.511,1179 0.447,1180 8.881,1181 10.035,1182 8.671,1183 7.385,1184 10.219,1185 8.931,1186 7.394,1187 0.352,1188 0.29,1189 7.394,1190 6.089,1191 5.378,1192 0.256,1193 0.188,1194 5.378,1195 3.957,1196 3.171,1197 0.176,1198 0.134,1199 3.171,1200 2.413,1201 1.951,1202 0.122,1203 0.096,1204 1.951,1205 1.54,1206 0.765,1207 62.886,1208 0.282,1209 22.623,1210 1.056,1211 82,1212 165.612,1213 86.57,1214 159.315,1215 200.9,1216 148,1217 83,1218 123.422,1219 87.432,1220 126.326,1221 177.28,1222 119,1223 5.413}