@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3808

@attribute molecule_id {CHEMBL1088977,CHEMBL1202792,CHEMBL1202793,CHEMBL1202794,CHEMBL147297,CHEMBL148996,CHEMBL149797,CHEMBL149976,CHEMBL150621,CHEMBL150623,CHEMBL150828,CHEMBL150931,CHEMBL151001,CHEMBL151103,CHEMBL151196,CHEMBL151197,CHEMBL151222,CHEMBL151255,CHEMBL151372,CHEMBL151654,CHEMBL151724,CHEMBL191400,CHEMBL216913,CHEMBL342495,CHEMBL346440,CHEMBL357298,CHEMBL357754,CHEMBL358674,CHEMBL433513,CHEMBL538110,CHEMBL540135,CHEMBL604606,CHEMBL610141,CHEMBL610704,CHEMBL611536,CHEMBL611588}
@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.005 numeric
@attribute C.006 numeric
@attribute C.008 numeric
@attribute C.009 numeric
@attribute C.016 numeric
@attribute C.018 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.027 numeric
@attribute C.028 numeric
@attribute C.029 numeric
@attribute C.030 numeric
@attribute C.031 numeric
@attribute C.036 numeric
@attribute C.037 numeric
@attribute C.038 numeric
@attribute C.039 numeric
@attribute C.040 numeric
@attribute C.041 numeric
@attribute C.042 numeric
@attribute C.043 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_AP numeric
@attribute CATS2D_01_DA numeric
@attribute CATS2D_01_DD numeric
@attribute CATS2D_01_DN numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AP numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DD numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_DN numeric
@attribute CATS2D_02_DP numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_NL numeric
@attribute CATS2D_02_PL numeric
@attribute CATS2D_02_PN numeric
@attribute CATS2D_02_PP numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_AP numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DD numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_DP numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_PL numeric
@attribute CATS2D_03_PP 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_04_PN numeric
@attribute CATS2D_04_PP 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_AP 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_AN numeric
@attribute CATS2D_07_AP numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DD numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_DP numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_PL numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_AP numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DD numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_DN numeric
@attribute CATS2D_08_DP numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_PL numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_AN numeric
@attribute CATS2D_09_AP numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_DD numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_DN numeric
@attribute CATS2D_09_DP numeric
@attribute CATS2D_09_LL numeric
@attribute CATS2D_09_PL numeric
@attribute CATS2D_09_PP numeric
@attribute CENT numeric
@attribute Chi0_AEA.bo. numeric
@attribute Chi0_AEA.dm. numeric
@attribute Chi0_AEA.ed. numeric
@attribute Chi0_AEA.ri. numeric
@attribute Chi0_EA numeric
@attribute Chi0_EA.bo. numeric
@attribute Chi0_EA.dm. numeric
@attribute Chi0_EA.ed. numeric
@attribute Chi0_EA.ri. numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute Chi1_EA.bo. numeric
@attribute Chi1_EA.dm. numeric
@attribute Chi1_EA.ed. numeric
@attribute Chi1_EA.ri. numeric
@attribute CIC0 numeric
@attribute CIC1 numeric
@attribute CIC2 numeric
@attribute CIC3 numeric
@attribute CIC4 numeric
@attribute CIC5 numeric
@attribute CID numeric
@attribute CMC.50 numeric
@attribute CMC.80 numeric
@attribute cRo5 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr09 numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute Depressant.80 numeric
@attribute DLS_01 numeric
@attribute DLS_02 numeric
@attribute DLS_03 numeric
@attribute DLS_04 numeric
@attribute DLS_05 numeric
@attribute DLS_06 numeric
@attribute DLS_07 numeric
@attribute DLS_cons numeric
@attribute Dz numeric
@attribute ECC numeric
@attribute Eig01_AEA.bo. numeric
@attribute Eig01_AEA.dm. numeric
@attribute Eig01_AEA.ed. numeric
@attribute Eig01_AEA.ri. numeric
@attribute Eig01_EA numeric
@attribute Eig01_EA.bo. numeric
@attribute Eig01_EA.dm. numeric
@attribute Eig01_EA.ed. numeric
@attribute Eig01_EA.ri. numeric
@attribute Eig02_AEA.bo. numeric
@attribute Eig02_AEA.dm. numeric
@attribute Eig02_AEA.ed. numeric
@attribute Eig02_AEA.ri. numeric
@attribute Eig02_EA numeric
@attribute Eig02_EA.bo. numeric
@attribute Eig02_EA.dm. numeric
@attribute Eig02_EA.ed. numeric
@attribute Eig02_EA.ri. numeric
@attribute Eig03_AEA.bo. numeric
@attribute Eig03_AEA.dm. numeric
@attribute Eig03_AEA.ed. numeric
@attribute Eig03_AEA.ri. numeric
@attribute Eig03_EA numeric
@attribute Eig03_EA.bo. numeric
@attribute Eig03_EA.dm. numeric
@attribute Eig03_EA.ed. numeric
@attribute Eig03_EA.ri. numeric
@attribute Eig04_AEA.bo. numeric
@attribute Eig04_AEA.dm. numeric
@attribute Eig04_AEA.ed. numeric
@attribute Eig04_AEA.ri. numeric
@attribute Eig04_EA numeric
@attribute Eig04_EA.bo. numeric
@attribute Eig04_EA.dm. numeric
@attribute Eig04_EA.ed. numeric
@attribute Eig04_EA.ri. numeric
@attribute Eig05_AEA.bo. numeric
@attribute Eig05_AEA.dm. numeric
@attribute Eig05_AEA.ed. numeric
@attribute Eig05_AEA.ri. numeric
@attribute Eig05_EA numeric
@attribute Eig05_EA.bo. numeric
@attribute Eig05_EA.ed. numeric
@attribute Eig05_EA.ri. numeric
@attribute Eig06_AEA.bo. numeric
@attribute Eig06_AEA.dm. numeric
@attribute Eig06_AEA.ed. numeric
@attribute Eig06_AEA.ri. numeric
@attribute Eig06_EA numeric
@attribute Eig06_EA.bo. numeric
@attribute Eig06_EA.ed. numeric
@attribute Eig06_EA.ri. numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig07_AEA.dm. numeric
@attribute Eig07_AEA.ed. numeric
@attribute Eig07_AEA.ri. numeric
@attribute Eig07_EA numeric
@attribute Eig07_EA.bo. numeric
@attribute Eig07_EA.ed. numeric
@attribute Eig07_EA.ri. numeric
@attribute Eig08_AEA.bo. numeric
@attribute Eig08_AEA.dm. numeric
@attribute Eig08_AEA.ed. numeric
@attribute Eig08_AEA.ri. numeric
@attribute Eig08_EA numeric
@attribute Eig08_EA.bo. numeric
@attribute Eig08_EA.dm. numeric
@attribute Eig08_EA.ed. numeric
@attribute Eig08_EA.ri. numeric
@attribute Eig09_AEA.bo. numeric
@attribute Eig09_AEA.dm. numeric
@attribute Eig09_AEA.ed. numeric
@attribute Eig09_AEA.ri. numeric
@attribute Eig09_EA numeric
@attribute Eig09_EA.bo. numeric
@attribute Eig09_EA.dm. numeric
@attribute Eig09_EA.ed. numeric
@attribute Eig09_EA.ri. numeric
@attribute Eig10_AEA.bo. numeric
@attribute Eig10_AEA.dm. numeric
@attribute Eig10_AEA.ed. numeric
@attribute Eig10_AEA.ri. numeric
@attribute Eig10_EA numeric
@attribute Eig10_EA.bo. numeric
@attribute Eig10_EA.dm. numeric
@attribute Eig10_EA.ed. numeric
@attribute Eig10_EA.ri. numeric
@attribute Eig11_AEA.bo. numeric
@attribute Eig11_AEA.dm. numeric
@attribute Eig11_AEA.ed. numeric
@attribute Eig11_AEA.ri. numeric
@attribute Eig11_EA numeric
@attribute Eig11_EA.bo. numeric
@attribute Eig11_EA.dm. numeric
@attribute Eig11_EA.ed. numeric
@attribute Eig11_EA.ri. numeric
@attribute Eig12_AEA.bo. numeric
@attribute Eig12_AEA.dm. numeric
@attribute Eig12_AEA.ed. numeric
@attribute Eig12_AEA.ri. numeric
@attribute Eig12_EA numeric
@attribute Eig12_EA.bo. numeric
@attribute Eig12_EA.dm. numeric
@attribute Eig12_EA.ed. numeric
@attribute Eig12_EA.ri. numeric
@attribute Eig13_AEA.bo. numeric
@attribute Eig13_AEA.dm. numeric
@attribute Eig13_AEA.ed. numeric
@attribute Eig13_AEA.ri. numeric
@attribute Eig13_EA numeric
@attribute Eig13_EA.bo. numeric
@attribute Eig13_EA.dm. numeric
@attribute Eig13_EA.ed. numeric
@attribute Eig13_EA.ri. numeric
@attribute Eig14_AEA.bo. numeric
@attribute Eig14_AEA.dm. numeric
@attribute Eig14_AEA.ed. numeric
@attribute Eig14_AEA.ri. numeric
@attribute Eig14_EA numeric
@attribute Eig14_EA.bo. numeric
@attribute Eig14_EA.dm. numeric
@attribute Eig14_EA.ed. numeric
@attribute Eig14_EA.ri. numeric
@attribute Eig15_AEA.bo. numeric
@attribute Eig15_AEA.dm. numeric
@attribute Eig15_AEA.ed. numeric
@attribute Eig15_AEA.ri. numeric
@attribute Eig15_EA numeric
@attribute Eig15_EA.bo. numeric
@attribute Eig15_EA.dm. numeric
@attribute Eig15_EA.ed. numeric
@attribute Eig15_EA.ri. numeric
@attribute Eta_alpha numeric
@attribute Eta_alpha_A numeric
@attribute Eta_B numeric
@attribute Eta_B_A numeric
@attribute Eta_beta numeric
@attribute Eta_beta_A numeric
@attribute Eta_betaP numeric
@attribute Eta_betaP_A numeric
@attribute Eta_betaS numeric
@attribute Eta_betaS_A numeric
@attribute Eta_C numeric
@attribute Eta_C_A numeric
@attribute Eta_epsi numeric
@attribute Eta_epsi_A numeric
@attribute Eta_F numeric
@attribute Eta_F_A numeric
@attribute Eta_FL numeric
@attribute Eta_FL_A numeric
@attribute Eta_L numeric
@attribute Eta_L_A numeric
@attribute Eta_sh_p numeric
@attribute Eta_sh_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 Hypnotic.50 numeric
@attribute Hypnotic.80 numeric
@attribute IAC numeric
@attribute IC0 numeric
@attribute IC1 numeric
@attribute IC2 numeric
@attribute IC3 numeric
@attribute IC4 numeric
@attribute IC5 numeric
@attribute ICR numeric
@attribute IDDE numeric
@attribute IDDM numeric
@attribute IDE numeric
@attribute IDET numeric
@attribute IDM numeric
@attribute IDMT numeric
@attribute Infective.50 numeric
@attribute Infective.80 numeric
@attribute Inflammat.80 numeric
@attribute ISIZ numeric
@attribute IVDE numeric
@attribute IVDM numeric
@attribute JGI1 numeric
@attribute JGI10 numeric
@attribute JGI2 numeric
@attribute JGI3 numeric
@attribute JGI4 numeric
@attribute JGI5 numeric
@attribute JGI6 numeric
@attribute JGI7 numeric
@attribute JGI8 numeric
@attribute JGI9 numeric
@attribute JGT numeric
@attribute LLS_01 numeric
@attribute LLS_02 numeric
@attribute LOC numeric
@attribute LPRS numeric
@attribute MATS1e numeric
@attribute MATS1i numeric
@attribute MATS1m numeric
@attribute MATS1p numeric
@attribute MATS1s numeric
@attribute MATS1v numeric
@attribute MATS2e numeric
@attribute MATS2i numeric
@attribute MATS2m numeric
@attribute MATS2p numeric
@attribute MATS2s numeric
@attribute MATS2v numeric
@attribute MATS3e numeric
@attribute MATS3i numeric
@attribute MATS3m numeric
@attribute MATS3p numeric
@attribute MATS3s numeric
@attribute MATS3v numeric
@attribute MATS4e numeric
@attribute MATS4i numeric
@attribute MATS4m numeric
@attribute MATS4p numeric
@attribute MATS4s numeric
@attribute MATS4v numeric
@attribute MATS5e numeric
@attribute MATS5i numeric
@attribute MATS5m numeric
@attribute MATS5p numeric
@attribute MATS5s numeric
@attribute MATS5v numeric
@attribute MATS6e numeric
@attribute MATS6i numeric
@attribute MATS6m numeric
@attribute MATS6p numeric
@attribute MATS6s numeric
@attribute MATS6v numeric
@attribute MATS7e numeric
@attribute MATS7i numeric
@attribute MATS7m numeric
@attribute MATS7p numeric
@attribute MATS7s numeric
@attribute MATS7v numeric
@attribute MATS8e numeric
@attribute MATS8i numeric
@attribute MATS8m numeric
@attribute MATS8p numeric
@attribute MATS8s numeric
@attribute MATS8v numeric
@attribute MAXDN numeric
@attribute MAXDP numeric
@attribute MCD numeric
@attribute MDDD numeric
@attribute Me numeric
@attribute Mi numeric
@attribute MLOGP numeric
@attribute MLOGP2 numeric
@attribute Mp numeric
@attribute MPC01 numeric
@attribute MPC02 numeric
@attribute MPC03 numeric
@attribute MPC04 numeric
@attribute MPC05 numeric
@attribute MPC06 numeric
@attribute MPC07 numeric
@attribute MPC08 numeric
@attribute MPC09 numeric
@attribute MPC10 numeric
@attribute MSD numeric
@attribute Mv numeric
@attribute MW numeric
@attribute MWC01 numeric
@attribute MWC02 numeric
@attribute MWC03 numeric
@attribute MWC04 numeric
@attribute MWC05 numeric
@attribute MWC06 numeric
@attribute MWC07 numeric
@attribute MWC08 numeric
@attribute MWC09 numeric
@attribute MWC10 numeric
@attribute N. numeric
@attribute N.066 numeric
@attribute N.067 numeric
@attribute N.068 numeric
@attribute N.069 numeric
@attribute N.072 numeric
@attribute N.073 numeric
@attribute N.074 numeric
@attribute N.075 numeric
@attribute NaaaC numeric
@attribute NaaCH numeric
@attribute NaaN numeric
@attribute NaasC numeric
@attribute NaasN numeric
@attribute nAB numeric
@attribute nArC.N numeric
@attribute nArCONH2 numeric
@attribute nArNH2 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 nC.N.N. numeric
@attribute nC..N.N2 numeric
@attribute nCp numeric
@attribute nCrs numeric
@attribute nCs numeric
@attribute nCsp2 numeric
@attribute nCsp3 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 nImidazoles numeric
@attribute nN numeric
@attribute nN.C.N. numeric
@attribute NNRS numeric
@attribute nO numeric
@attribute nOHs numeric
@attribute nOxolanes numeric
@attribute nPyridines numeric
@attribute nPyrimidines numeric
@attribute nR05 numeric
@attribute nR06 numeric
@attribute nR09 numeric
@attribute nRC.N numeric
@attribute nRCOOH numeric
@attribute nR.Cs numeric
@attribute nRNH2 numeric
@attribute nRNHO numeric
@attribute nRNHR numeric
@attribute nRNR2 numeric
@attribute nROH numeric
@attribute nROR numeric
@attribute NRS numeric
@attribute nS numeric
@attribute NsCH3 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 O. numeric
@attribute O.056 numeric
@attribute O.057 numeric
@attribute O.058 numeric
@attribute O.059 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_0d numeric
@attribute Psi_e_1 numeric
@attribute Psi_e_A numeric
@attribute Psi_i_0 numeric
@attribute Psi_i_0d numeric
@attribute Psi_i_1 numeric
@attribute Psi_i_1d numeric
@attribute Psi_i_A numeric
@attribute Psi_i_s numeric
@attribute Psi_i_t numeric
@attribute P_VSA_e_1 numeric
@attribute P_VSA_e_2 numeric
@attribute P_VSA_e_3 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_m_1 numeric
@attribute P_VSA_m_2 numeric
@attribute P_VSA_m_3 numeric
@attribute P_VSA_m_4 numeric
@attribute P_VSA_MR_1 numeric
@attribute P_VSA_MR_2 numeric
@attribute P_VSA_MR_3 numeric
@attribute P_VSA_MR_5 numeric
@attribute P_VSA_MR_6 numeric
@attribute P_VSA_MR_7 numeric
@attribute P_VSA_MR_8 numeric
@attribute P_VSA_p_1 numeric
@attribute P_VSA_p_2 numeric
@attribute P_VSA_p_3 numeric
@attribute P_VSA_s_2 numeric
@attribute P_VSA_s_3 numeric
@attribute P_VSA_s_4 numeric
@attribute P_VSA_s_5 numeric
@attribute P_VSA_s_6 numeric
@attribute P_VSA_v_1 numeric
@attribute P_VSA_v_2 numeric
@attribute P_VSA_v_3 numeric
@attribute PW2 numeric
@attribute PW3 numeric
@attribute PW4 numeric
@attribute PW5 numeric
@attribute Qindex numeric
@attribute Ram numeric
@attribute RBF numeric
@attribute RBN numeric
@attribute Rbrid numeric
@attribute RCI numeric
@attribute RDCHI numeric
@attribute RDSQ numeric
@attribute RFD numeric
@attribute Rperim numeric
@attribute S0K numeric
@attribute S.107 numeric
@attribute S1K numeric
@attribute S2K numeric
@attribute S3K numeric
@attribute SaaaC numeric
@attribute SAacc numeric
@attribute SaaCH numeric
@attribute SaaN numeric
@attribute 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 SRW04 numeric
@attribute SRW05 numeric
@attribute SRW06 numeric
@attribute SRW07 numeric
@attribute SRW08 numeric
@attribute SRW09 numeric
@attribute SRW10 numeric
@attribute SsCH3 numeric
@attribute SsNH2 numeric
@attribute SsOH numeric
@attribute SssCH2 numeric
@attribute SssNH numeric
@attribute SssO numeric
@attribute SsssCH numeric
@attribute SsssN 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 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 1.849,2 10.963,3 -1.833,4 3.36,5 98.57,6 7.99,7 0.345,8 4.046,9 4.161,10 3.711,11 3.469,12 5.237,13 3.458,14 4.591,15 4.742,16 4.065,17 3.889,18 5.78,19 3.85,20 4.887,21 5.066,22 4.185,23 4.008,24 6.192,25 3.958,26 5.014,27 5.246,28 4.132,29 4.051,30 6.097,31 3.955,32 4.947,33 5.18,34 4.073,35 3.988,36 5.985,37 3.895,38 4.877,39 5.099,40 3.933,41 3.916,42 6.034,43 3.83,44 4.901,45 5.15,46 3.84,47 3.808,48 6.046,49 3.719,50 4.68,51 4.915,52 3.722,53 3.661,54 5.928,55 3.576,56 0.256,57 0.772,58 11.647,59 4.386,60 38.3,61 5.453,62 0.631,63 1.18,64 27.264,65 8.236,66 84.634,67 9.995,68 1.132,69 1.33,70 33.921,71 9.544,72 141.934,73 12.775,74 1.212,75 1.372,76 41.995,77 10.596,78 138.336,79 14.653,80 1.029,81 1.271,82 42.985,83 10.159,84 118.26,85 14.205,86 0.935,87 1.181,88 33.446,89 9.182,90 111.577,91 12.989,92 1.228,93 1.081,94 37.77,95 8.018,96 161.226,97 12.128,98 0.977,99 0.936,100 27.333,101 6.869,102 124.872,103 10.285,104 56,105 42,106 0.316,107 0.685,108 0.87,109 0.906,110 0.913,111 0.913,112 3.34,113 1.093,114 0.69,115 0.51,116 0.25,117 30,119 1,120 1,121 2,122 4,123 1,129 1,130 1,131 1,137 1,139 1,140 1,141 2,142 2,143 2,145 1,149 1,151 4,153 1,154 2,156 1,157 1,160 1,161 2,162 1,164 2,165 1,166 3,167 5,168 2,169 1,170 1,174 3,176 2,177 3,180 2,183 1,184 1,186 1,187 2,188 2,191 2,194 1,196 1,197 3,199 1,204 1,205 1,206 3,207 2,208 1,209 1,210 1,213 1,216 2,217 2,219 1,220 2,224 2,225 1,226 2,227 2,228 2,230 1,231 2,234 1,235 1097,236 17.552,237 17.552,238 17.552,239 17.552,240 17.552,241 16.192,242 17.987,243 9.998,244 18.404,245 14.208,246 14.208,247 14.208,248 14.208,249 14.208,250 12.159,251 19.555,252 4.679,253 15.669,254 3.795,255 1.631,256 0.55,257 0.335,258 0.295,259 0.295,260 4.012,264 621,265 4,266 138.152,267 75.983,268 114.781,269 1.819,270 48.628,272 0.5,273 0.67,274 0.67,275 0.7,276 1,277 0.5,278 0.5,279 0.65,280 62,281 296,282 4.642,283 5.096,284 6.925,285 4.222,286 3.3,287 4.581,288 5.9,289 11.613,290 3.042,291 4.149,292 3.727,293 6.533,294 3.944,295 3.009,296 3.326,297 2.374,298 10.139,299 2.807,300 3.837,301 3.58,302 5.906,303 3.637,304 2.661,305 2.993,306 1.041,307 8.019,308 2.591,309 3.679,310 3.13,311 5.741,312 3.346,313 2.45,314 2.933,315 0.159,316 7.439,317 2.211,318 3.338,319 2.646,320 5.316,321 3.064,322 2.238,323 2.368,324 6.404,325 1.835,326 3.05,327 2.428,328 4.977,329 2.691,330 1.787,331 2.322,332 5.371,333 1.574,334 2.947,335 2.229,336 4.674,337 2.459,338 1.562,339 2.021,340 4.536,341 1.402,342 2.666,343 1.974,344 4.139,345 2.429,346 1.535,347 1.673,349 3.671,350 1.363,351 2.45,352 1.919,353 4.067,354 2.166,355 1.209,356 1.394,358 2.925,359 1.117,360 2.4,361 1.873,362 3.645,363 1.942,364 1.039,365 1.352,367 2.738,368 0.933,369 2.099,370 1.549,371 3.305,372 1.657,373 0.763,374 0.993,376 1.823,377 0.68,378 1.447,379 1.24,380 3.008,381 1.302,382 0.395,383 0.406,385 0.9,386 0.349,387 1.15,388 0.891,389 2.665,390 0.954,391 0.097,392 0.099,394 0.216,395 0.082,396 1.038,397 0.631,398 2.395,399 0.611,400 -0.288,401 -0.355,403 -0.666,404 -0.258,405 0.666,406 0.471,407 2.367,408 0.341,409 -0.512,410 -0.562,412 -1.346,413 -0.424,414 12.4,415 0.459,416 0.881,417 0.033,418 28.75,419 1.065,420 10,421 0.37,422 18.75,423 0.694,424 28.165,425 1.043,426 32.3,427 0.646,428 21.987,429 0.814,430 4.983,431 0.185,432 7.808,433 0.289,434 0.212,435 0.462,436 1.043,437 1.507,438 0.88,439 1.107,440 1.004,441 0.975,442 0.848,443 1.263,444 1.363,445 1.477,446 0.663,447 1.094,448 0.891,449 1.223,450 1.045,451 1.234,452 0.813,453 1.165,454 1.045,455 0.88,456 1.018,457 0.97,458 1.017,459 0.972,460 0.954,461 1.033,462 1.101,463 1.208,464 0.823,465 0.999,466 0.964,467 1.075,468 0.997,469 1.112,470 0.898,471 1.146,472 1.285,473 0.814,474 0.992,475 0.793,476 1.311,477 0.888,478 0.906,479 0.977,480 0.84,481 0.855,482 0.957,483 0.996,484 6,485 0.116,486 4.222,487 2.549,488 1.593,489 1.049,490 0.625,491 0.47,492 0.326,493 0.218,494 8381,495 29076,496 1.971,497 46,499 11,500 1,501 2,502 7,505 2,506 1.7,507 1.78,508 3.421,509 4.463,514 92.428,515 1.849,516 4.013,517 5.094,518 5.309,519 5.349,520 5.349,521 2.921,522 4.31,523 4.723,524 3.613,525 1268.26,526 8.197,527 16337.4,531 282.193,532 1.561,533 4.646,534 0.207,535 0.007,536 0.101,537 0.059,538 0.042,539 0.029,540 0.019,541 0.017,542 0.013,543 0.01,544 0.503,545 0.17,546 0.88,547 1.738,548 134.259,549 -0.222,550 -0.122,551 0.043,552 0.131,553 -0.196,554 0.086,555 0.014,556 0.034,557 -0.159,558 -0.107,559 0.063,560 -0.019,561 0.126,562 -0.139,563 -0.057,564 -0.151,565 0.114,566 -0.159,567 -0.069,568 0.08,569 0.021,570 0.061,571 -0.109,572 0.028,573 -0.042,574 -0.059,575 0.031,576 -0.074,577 -0.029,578 0.042,579 -0.036,580 -0.096,581 -0.076,582 -0.133,583 -0.03,584 -0.142,585 -0.174,586 0.028,587 -0.006,588 0.104,589 -0.168,590 0.063,591 0.086,592 -0.071,593 0.043,594 0.026,595 0.034,596 -0.026,597 2.701,598 4.439,599 0.519,600 25.783,601 1.027,602 1.15,603 -1.925,604 3.705,605 0.629,606 3.401,607 3.761,608 4.043,609 4.277,610 4.454,611 4.585,612 4.71,613 4.828,614 4.836,615 4.844,616 6.597,617 0.607,618 399.51,619 3.401,620 4.963,621 5.826,622 6.718,623 7.605,624 8.505,625 9.404,626 10.31,627 11.215,628 12.126,629 12,630 1,633 1,635 1,637 3,638 2,639 2,640 3,641 1,642 1,643 10,646 1,647 50,648 11,650 29,651 52,652 15,653 5,657 3,658 4,662 3,663 5,664 6,665 9,666 1,668 1,671 1,674 23,675 10,676 7,677 12,678 1,679 1,680 6,682 0.667,683 5,684 2,685 1,687 1,688 2,689 1,690 1,692 1,694 1,698 3,699 1,700 2,701 1,702 1,703 27,704 2,705 3,706 3,708 1,709 5,711 10,712 2,713 1,714 1,715 1,716 15.167,717 8.433,718 5.889,719 2.589,720 2.083,721 1.285,722 0.873,723 6.199,724 9.383,725 3.584,726 4.147,727 4.69,728 5.235,729 5.677,730 6.024,731 6.38,732 6.731,733 6.69,734 6.827,735 1,736 43,737 10.104,739 4.555,740 8.187,741 18.48,743 15.607,745 2.687,746 72.556,748 188.338,749 54.191,750 118.05,751 164.195,752 18.332,753 35.859,754 352.532,755 118.05,756 7.19,757 37.231,758 118.264,759 163.971,760 12.662,761 14.099,762 171.356,763 188.338,764 153.909,765 164.195,766 18.332,767 164.795,768 91.37,769 96.367,770 60.227,771 43.325,772 50.357,773 18.332,774 188.338,775 282.245,776 54.191,777 206.67,778 11.431,779 26.327,781 280.346,782 188.338,783 282.245,784 54.191,785 0.597,786 0.354,787 0.171,788 0.09,789 20,790 11,791 0.135,792 7,793 1,794 1.143,795 3.755,796 227.779,797 0.143,798 14,799 128.382,800 1,801 20.259,802 8.261,803 4.183,804 0.798,805 280.346,806 2.733,807 12.142,808 0.216,809 1.523,810 193.844,811 524.773,812 35,814 10.809,817 -1.034,818 51.334,819 57.486,820 0.328,821 0.711,822 0.903,823 0.941,824 0.948,825 0.948,826 4.864,827 1.535,828 5.849,829 4.536,830 4.443,831 4.832,832 4.166,833 6.706,834 4.262,835 6.063,836 1.209,837 7.452,838 3.671,839 4.205,840 4.758,841 5.097,842 7.716,843 3.96,844 7.376,845 1.039,846 9.154,847 2.925,848 6.089,849 6.988,850 7.248,851 10.836,852 5.762,853 8.723,854 0.763,855 10.912,856 2.738,857 6.648,858 7.782,859 8.82,860 12.671,861 6.265,862 10.106,863 0.395,864 12.705,865 1.823,866 8.052,867 9.561,868 10.685,869 15.335,870 7.592,871 11.514,872 0.097,873 14.523,874 0.9,875 8.951,876 10.757,877 12.411,878 17.509,879 8.429,880 12.943,881 -0.288,882 16.359,883 0.216,884 10.189,885 12.374,886 14.208,887 20.021,888 9.59,889 3.3,890 -0.512,891 18.21,892 -0.666,893 11.237,894 13.754,895 15.971,896 22.341,897 10.567,898 3.009,899 11.613,900 20.072,901 -1.346,902 12.419,903 15.311,904 17.752,905 24.801,906 11.672,907 2.661,908 10.139,909 21.943,910 4.581,911 13.533,912 16.771,913 19.524,914 27.184,915 12.708,916 2.45,917 8.019,918 23.823,919 3.326,920 14.701,921 18.305,922 21.3,923 29.627,924 13.796,925 2.238,926 7.439,927 25.709,928 2.993,929 15.845,930 19.801,931 23.074,932 32.04,933 14.859,934 1.787,935 6.404,936 27.6,937 2.933,938 17.012,939 21.326,940 24.849,941 34.479,942 15.944,943 1.562,944 5.371,945 29.496,946 2.368,947 18.172,948 22.837,949 26.624,950 36.907,951 17.021,952 8373,953 15657,954 18.323,955 31.426,956 44.439,957 48.997,958 46.953,959 44.135,960 44.09,961 52.923,962 18.948,963 131.589,964 39.968,965 5.618,966 7.096,967 6.453,968 5.358,969 5.3,970 7.581,971 8.85,972 19.326,973 4.937,974 17.808,975 1.532,976 1.69,977 1.619,978 1.522,979 1.52,980 1.825,981 0.653,982 4.538,983 1.378,984 4.105,985 4.156,986 4.149,987 3.912,988 7.474,989 3.945,990 3.837,991 3.864,992 4.058,993 3.771,994 6.495,995 3.704,996 3.722,997 3.76,998 3.667,999 3.543,1000 6.4,1001 3.552,1002 3.473,1003 3.511,1004 3.553,1005 3.349,1006 6.351,1007 3.307,1008 3.309,1009 3.384,1010 3.245,1011 3.049,1012 5.271,1013 3.082,1014 3.073,1015 3.122,1016 2.927,1017 2.806,1018 4.976,1019 2.822,1020 2.994,1021 3.103,1022 2.886,1023 2.729,1024 4.855,1025 2.734,1026 2.958,1027 3.05,1028 2.764,1029 2.667,1030 4.548,1031 2.68,1032 0.16,1033 0.176,1034 0.239,1035 0.146,1036 0.114,1037 4.642,1038 0.158,1039 5.096,1040 0.203,1041 6.925,1042 0.4,1043 4.222,1044 0.105,1045 3.3,1046 4.581,1047 5.9,1048 11.613,1049 3.042,1050 1.797,1051 1.751,1052 1.886,1053 2.008,1054 1.344,1055 1.965,1056 1.748,1057 1.719,1058 1.848,1059 1.897,1060 1.144,1061 1.925,1062 1.592,1063 1.551,1064 1.764,1065 1.814,1066 1.017,1067 1.797,1068 1.519,1069 1.475,1070 1.654,1071 1.764,1072 0.806,1073 1.748,1074 1.307,1075 1.264,1076 1.524,1077 1.536,1078 0.689,1079 1.563,1080 1.078,1081 1.019,1082 1.346,1083 1.379,1084 0.426,1085 1.361,1086 0.984,1087 0.907,1088 1.314,1089 1.301,1090 0.394,1091 1.324,1092 0.81,1093 0.73,1094 1.145,1095 1.223,1096 0.153,1097 1.211,1098 4.078,1099 5.425,1100 3.045,1101 6.95,1102 5.476,1103 8.557,1104 7.627,1105 10.212,1106 1.949,1107 11.297,1108 29.681,1109 1.412,1111 5.884,1112 -4.62,1114 30.367,1115 92.428,1116 200.625,1117 254.683,1118 265.438,1119 267.438,1120 267.438,1121 77.539,1122 7.3,1123 182.63,1124 182.63,1125 16,1126 12.642,1127 3.585,1128 2.807,1129 47.094,1130 107,1131 107,1132 0.22,1133 191.18,1134 325.76,1135 458.239,1136 13671,1137 19.715,1138 0.73,1139 0.578,1140 20.003,1141 15.606,1142 12.791,1143 0.441,1144 0.364,1145 8.407,1146 11.39,1147 8.077,1148 6.609,1149 13.488,1150 10.567,1151 11.994,1152 0.286,1153 0.218,1154 12.809,1155 9.149,1156 10.192,1157 0.182,1158 0.118,1159 10.874,1160 6.634,1161 7.676,1162 0.108,1163 0.069,1164 8.422,1165 4.865,1166 5.924,1167 0.07,1168 0.042,1169 6.738,1170 3.575,1171 0.346,1172 89.316,1173 0.234,1174 25.947,1175 0.601,1176 142,1177 483.223,1178 190.211,1179 464.656,1180 610.11,1181 430,1182 169,1183 420.156,1184 217.827,1185 426.237,1186 631.04,1187 398,1188 4.256}
{0 CHEMBL1202792,1 1.538,2 7.188,3 -0.487,4 0.237,5 60.221,6 7.562,7 0.375,8 3.463,9 3.641,10 2.99,11 2.853,12 4.811,13 2.869,14 3.815,15 4.019,16 3.277,17 3.126,18 5.173,19 3.114,20 3.996,21 4.23,22 3.279,23 3.178,24 5.363,25 3.164,26 4.006,27 4.266,28 3.114,29 3.147,30 5.181,31 3.099,32 3.902,33 4.132,34 3.066,35 3.106,36 5.081,37 3.038,38 3.957,39 4.224,40 2.908,41 2.993,42 5.239,43 2.893,44 3.938,45 4.281,46 2.546,47 2.756,48 5.051,49 2.62,50 3.509,51 3.837,52 2.234,53 2.42,54 4.518,55 2.284,56 0.116,57 0.452,58 6.102,59 1.536,60 19.414,61 2.703,62 0.151,63 0.587,64 9.12,65 2.832,66 26.372,67 4.603,68 0.31,69 0.621,70 11.637,71 2.365,72 40.88,73 4.396,74 0.262,75 0.58,76 12.323,77 2.459,78 31.421,79 4.794,80 0.116,81 0.544,82 10.399,83 2.859,84 19.676,85 5.1,86 0.252,87 0.471,88 11.78,89 2.716,90 37.899,91 4.942,92 0.315,93 0.353,94 13.305,95 2.184,96 48.634,97 4.651,98 0.136,99 0.244,100 8.345,101 1.676,102 21.568,103 3.388,104 33,105 21,106 0.3,107 0.688,108 0.752,109 0.821,110 0.834,111 0.834,112 2.851,113 0.835,114 -1.36,115 -1.44,116 -1.5,117 31,118 1,126 3,129 2,136 1,137 1,138 1,141 3,142 3,143 3,144 1,150 2,152 3,153 2,154 2,155 2,158 3,159 1,163 1,164 1,165 4,166 3,167 4,169 2,171 1,172 1,174 1,175 2,179 2,181 1,182 1,186 2,190 4,192 1,193 3,195 1,196 3,197 4,199 4,202 3,206 1,207 2,209 2,212 2,218 2,222 2,228 4,231 6,234 2,235 284,236 10.121,237 10.121,238 10.121,239 10.121,240 10.121,241 8.642,242 10.192,243 6.07,244 10.383,245 7.862,246 7.862,247 7.862,248 7.862,249 7.862,250 5.792,251 11.527,252 2.865,253 8.268,254 3.32,255 1.329,256 1.001,257 0.647,258 0.578,259 0.578,260 3.468,263 1,264 221,265 3.464,267 57.446,269 1.211,270 16.52,272 0.75,273 0.83,274 0.83,275 0.5,277 0.83,278 1,279 0.68,280 35.5,281 115,282 4.289,283 3.136,284 6.135,285 3.865,286 2.905,287 3.897,288 1.072,289 8.973,290 2.789,291 3.93,292 2.888,293 5.787,294 3.51,295 2.548,296 3.304,297 0.782,298 7.694,299 2.448,300 3.617,301 2.701,302 4.678,303 3.099,304 2.183,305 2.873,306 0.6,307 5.2,308 1.998,309 3.121,310 1.944,311 4.192,312 2.572,313 1.611,314 2.274,316 3.841,317 1.546,318 2.636,319 1.344,320 3.667,321 2.089,322 1.127,323 1.621,324 2.708,325 1.081,326 2.529,327 1.102,328 3.435,329 1.941,330 1,331 1.475,332 2.322,333 0.939,334 1.442,335 0.64,336 2.728,337 1.328,338 0.353,339 0.373,340 0.752,341 0.343,342 0.803,343 -0.245,344 2,345 0.309,346 -0.664,347 -0.873,349 -1.568,350 -0.643,351 0.655,352 -0.354,353 2,354 0.131,355 -0.836,356 -1,358 -2,359 -0.806,360 0.467,361 -0.597,362 1.584,363 -0.072,364 -1,365 -1.085,367 -2,368 -0.9,369 0.408,370 -0.6,371 1.402,372 -0.1,373 -1,374 -1.43,376 -2.346,377 -0.9,379 -0.785,380 1.265,381 -0.1,382 -1,383 -1.481,385 -2.539,386 -0.928,387 -0.296,388 -1.249,389 1,390 -0.57,391 -1.553,392 -1.974,393 -0.4,394 -4.156,395 -1.522,396 -0.463,397 -1.557,398 1,399 -0.789,400 -1.748,401 -2.272,402 -0.6,403 -5.24,404 -1.669,405 -0.5,406 -1.788,407 0.672,408 -0.97,409 -1.926,410 -2.7,411 -0.672,412 -5.455,413 -1.82,414 7.3,415 0.456,416 0.497,417 0.031,418 20.5,419 1.281,420 10.5,421 0.656,422 10,423 0.625,424 9.608,425 0.6,426 17.9,427 0.617,428 14.283,429 0.893,430 4.548,431 0.284,432 2.955,433 0.185,434 0.288,435 0.342,436 1.233,437 1.252,438 0.912,439 0.91,440 1.435,441 0.851,442 0.462,443 1.318,444 0.626,445 1.204,446 0.361,447 0.978,448 1.257,449 0.9,450 1.141,451 0.898,452 1.093,453 0.984,454 1.326,455 0.96,456 1.111,457 0.858,458 0.999,459 0.93,460 0.797,461 1.596,462 0.963,463 1.502,464 0.803,465 1.294,466 0.902,467 1.126,468 1.193,469 1.356,470 1.004,471 1.338,472 1.141,473 0.586,474 1.005,475 0.629,476 1.174,477 0.771,478 0.819,479 1.04,480 0.809,481 0.955,482 0.815,483 0.888,484 4,486 2,487 0.875,488 0.702,489 0.611,490 0.183,491 0.128,492 0.14,494 1690,495 6018,496 1.828,497 44.8,499 3,502 7,503 3,506 1.55,507 1.655,508 2.899,509 5.362,511 1,514 44.595,515 1.538,516 3.529,517 3.857,518 4.211,519 4.28,520 4.28,521 2.281,522 3.375,523 3.969,524 3.018,525 362.133,526 6.683,527 3194.32,531 140.881,532 1.579,533 3.882,534 0.25,536 0.095,537 0.044,538 0.041,539 0.038,540 0.015,541 0.016,542 0.023,544 0.523,545 0.5,546 1,547 1.899,548 65.102,549 -0.273,550 0.086,551 -0.059,552 0.189,553 -0.449,554 0.119,555 0.351,556 -0.108,557 0.251,558 -0.059,559 0.368,560 0.06,561 -0.13,562 0.239,563 -0.211,564 0.032,565 -0.128,566 -0.091,567 -0.322,568 0.067,569 -0.163,570 0.104,571 -0.211,572 0.015,573 -0.044,574 -0.503,575 -0.071,576 -0.378,577 -0.017,578 -0.247,579 0.057,580 -0.149,581 -0.242,582 -0.393,583 -0.011,584 -0.382,585 -0.088,586 0.108,587 0.057,588 0.195,589 -0.098,590 0.161,591 0.039,592 -0.316,593 0.22,594 -0.008,595 0.067,596 0.126,597 1.79,598 2.251,599 0.375,600 10.219,601 1.013,602 1.163,603 0.126,604 0.016,605 0.632,606 2.833,607 3.091,608 3.178,609 3.258,610 3.434,611 3.296,612 3.178,613 2.89,614 2.639,615 2.197,616 4.55,617 0.611,618 219.29,619 2.833,620 4.317,621 5.094,622 5.922,623 6.73,624 7.56,625 8.38,626 9.211,627 10.038,628 10.87,629 24.1,630 3,636 3,637 1,639 3,640 1,641 2,643 6,644 1,647 29,648 9,650 16,651 29,652 9,653 5,656 3,657 1,658 1,660 1,661 1,664 8,665 1,666 3,667 1,670 2,671 3,673 1,674 13,675 7,676 7,677 7,680 7,681 1,682 1,686 1,689 1,694 3,700 1,702 1,703 16,704 3,716 9.667,717 5.1,718 3.639,719 1.316,720 1.976,721 1.365,722 0.943,723 3.969,724 7.383,725 3.135,726 3.676,727 4.099,728 4.566,729 5.061,730 5.179,731 5.43,732 5.423,733 5.511,734 5.411,735 0.8,736 20,737 5.758,738 0.001,739 2.243,740 8.146,741 10.381,743 7.474,745 2.646,746 42.333,747 0.001,748 70.627,749 49.751,750 180.475,753 49.751,754 70.627,755 180.475,756 8.825,757 98.692,758 28.429,759 21.87,760 70.511,761 1.899,762 70.627,763 70.627,764 230.226,767 70.627,770 178.028,771 35.413,772 16.786,774 70.627,775 180.475,776 49.751,777 70.627,778 12.497,779 37.254,781 180.475,782 70.627,783 180.475,784 49.751,785 0.575,786 0.301,787 0.136,788 0.083,789 8,790 5,791 0.103,792 3,794 1,795 2.736,796 94.854,798 6,799 60,801 12.136,802 5.232,803 3.63,805 180.475,806 5.098,807 4.119,808 0.953,810 130.364,811 300.853,812 22,813 7.251,816 7.286,817 0.315,818 29.363,819 33.734,820 0.317,821 0.727,822 0.794,823 0.867,824 0.881,825 0.881,826 4.324,827 -0.664,828 5.081,829 0.752,830 3.761,831 4.357,832 1.548,833 5.802,834 3.666,835 5.546,836 -0.836,837 6.605,838 -1.568,839 3.434,840 4.159,841 0.623,842 6.613,843 3.275,844 6.844,845 -1,846 8.229,847 -2,848 5.273,849 6.47,850 1.269,851 9.584,852 5.091,853 8.172,854 -1,855 9.908,856 -2,857 5.673,858 6.98,859 0.819,860 11.165,861 5.431,862 9.524,863 -1,864 11.621,865 -2.346,866 7.06,867 8.835,868 1.152,869 13.667,870 6.796,871 10.891,872 -1.553,873 13.357,874 -2.539,875 7.787,876 9.694,877 0.94,878 15.569,879 7.472,880 12.272,881 -1.748,882 15.109,883 -4.156,884 8.985,885 11.329,886 1.131,887 17.884,888 8.642,889 2.905,890 -1.926,891 16.872,892 -5.24,893 9.871,894 12.387,895 1.043,896 19.933,897 9.483,898 2.548,899 8.973,900 18.644,901 -5.455,902 10.984,903 13.901,904 1.164,905 22.17,906 10.564,907 2.183,908 7.694,909 20.422,910 3.897,911 11.952,912 15.078,913 1.141,914 24.287,915 11.49,916 1.611,917 5.2,918 22.205,919 3.304,920 13.029,921 16.523,922 1.228,923 26.492,924 12.531,925 1.127,926 3.841,927 23.992,928 2.873,929 14.038,930 17.772,931 1.24,932 28.643,933 13.5,934 1,935 2.708,936 25.782,937 2.274,938 15.101,939 19.179,940 1.311,941 30.836,942 14.525,943 0.353,944 2.322,945 27.573,946 1.621,947 16.132,948 20.471,949 1.342,950 33.004,951 15.516,952 1887,953 3633,954 9.652,955 18.324,956 23.877,957 23.501,958 24.493,959 23.506,960 23.453,961 31.633,962 4.908,963 62.984,964 22.286,965 4.926,966 5.136,967 5.68,968 4.908,969 4.905,970 6.897,971 1.854,972 15.162,973 4.744,974 10.405,975 1.492,976 1.469,977 1.531,978 1.469,979 1.466,980 1.977,981 0.307,982 3.936,983 1.393,984 3.928,985 3.972,986 3.887,987 3.814,988 5.882,989 3.826,990 3.595,991 3.683,992 3.536,993 3.354,994 5.353,995 3.383,996 3.392,997 3.485,998 3.295,999 3.124,1000 4.882,1001 3.162,1002 3.253,1003 3.348,1004 3.106,1005 3.021,1006 4.777,1007 3.034,1008 2.712,1009 2.819,1010 2.499,1011 2.516,1012 4.659,1013 2.499,1014 2.608,1015 2.803,1016 2.444,1017 2.308,1018 4.527,1019 2.331,1020 2.603,1021 2.725,1022 2.317,1023 2.061,1024 3.829,1025 2.112,1026 2.482,1027 2.609,1028 2.27,1029 2.06,1030 3.735,1031 2.083,1032 0.268,1033 0.196,1034 0.383,1035 0.242,1036 0.182,1037 4.289,1038 0.244,1039 3.136,1040 0.067,1041 6.135,1042 0.561,1043 3.865,1044 0.174,1045 2.905,1046 3.897,1047 1.072,1048 8.973,1049 2.789,1050 1.871,1051 1.836,1052 1.966,1053 2.008,1054 1.009,1055 1.996,1056 1.491,1057 1.42,1058 1.69,1059 1.78,1060 0.722,1061 1.744,1062 1.295,1063 1.202,1064 1.519,1065 1.607,1066 0.246,1067 1.598,1068 1.206,1069 1.117,1070 1.442,1071 1.488,1072 0.113,1073 1.497,1074 0.715,1075 0.627,1076 1.021,1077 1.057,1079 1.064,1080 0.538,1081 0.425,1082 1.02,1083 0.984,1085 0.999,1086 0.508,1087 0.307,1088 0.881,1089 0.918,1091 0.923,1092 0.347,1093 0.202,1094 0.747,1095 0.768,1097 0.779,1098 3.497,1099 4.762,1101 6.205,1103 7.727,1105 9.296,1106 1.707,1107 15.604,1114 17.73,1115 44.595,1116 102.352,1117 111.862,1118 122.127,1119 124.127,1120 124.127,1121 25.995,1122 5.407,1123 139.52,1124 139.52,1125 6,1126 11.443,1127 3.322,1128 2.807,1129 34.539,1130 42,1131 40,1132 0.413,1133 119.704,1134 202.16,1135 283.837,1136 1071,1137 12.129,1138 0.758,1139 0.55,1140 12.129,1141 8.806,1142 7.503,1143 0.469,1144 0.278,1145 4.374,1146 7.146,1147 4.234,1148 3.604,1149 7.503,1150 4.454,1151 6.879,1152 0.328,1153 0.144,1154 6.879,1155 3.032,1156 4.702,1157 0.204,1158 0.074,1159 4.702,1160 1.711,1161 3.221,1162 0.129,1163 0.039,1164 3.221,1165 0.97,1166 2.67,1167 0.089,1168 0.021,1169 2.67,1170 0.628,1171 0.632,1172 47.489,1173 0.322,1174 16.285,1175 1.168,1176 74,1177 243.205,1178 83.825,1179 247.598,1180 330.7,1181 226,1182 81,1183 247.941,1184 89.881,1185 252.958,1186 353.82,1187 235,1188 8}
{0 CHEMBL1202793,1 1.507,2 7.059,3 0.358,4 0.128,5 66.264,6 7.429,7 0.333,8 3.542,9 3.708,10 3.074,11 3.019,12 4.797,13 3.014,14 3.966,15 4.146,16 3.412,17 3.405,18 5.219,19 3.362,20 4.21,21 4.437,22 3.414,23 3.489,24 5.381,25 3.427,26 4.213,27 4.448,28 3.346,29 3.452,30 5.29,31 3.376,32 4.237,33 4.499,34 3.174,35 3.337,36 5.325,37 3.23,38 4.141,39 4.452,40 2.893,41 3.085,42 5.257,43 2.951,44 3.845,45 4.173,46 2.525,47 2.744,48 4.927,49 2.599,50 3.436,51 3.754,52 2.235,53 2.354,54 4.576,55 2.25,56 0.099,57 0.511,58 6.631,59 2.115,60 17.625,61 3.209,62 0.133,63 0.746,64 10.353,65 4.178,66 26.661,67 5.954,68 0.212,69 0.837,70 14.378,71 4.263,72 38.636,73 6.765,74 0.147,75 0.809,76 14.54,77 4.298,78 26.345,79 7.009,80 0.16,81 0.74,82 15.549,83 4.152,84 35.076,85 7.122,86 0.248,87 0.583,88 15.297,89 3.551,90 49.282,91 6.338,92 0.216,93 0.407,94 11.673,95 2.612,96 34.989,97 4.692,98 0.114,99 0.277,100 7.588,101 1.462,102 20.818,103 2.881,104 23,105 25,106 0.287,107 0.704,108 0.792,109 0.883,110 0.895,111 0.895,112 2.909,113 0.871,114 -3.1,115 -3.1,116 -2.98,117 35.5,119 2,126 3,127 3,136 1,137 1,138 1,141 2,142 2,143 2,147 1,150 8,152 2,155 4,156 2,158 3,159 10,161 1,165 3,166 1,167 2,169 6,171 7,172 2,175 2,179 9,181 3,182 3,186 1,190 10,193 4,196 1,197 2,199 7,202 3,208 2,209 4,210 1,212 2,218 2,222 1,228 4,231 4,234 1,235 302,236 11.121,237 11.121,238 11.121,239 11.121,240 11.121,241 9.796,242 13.607,243 6.559,244 11.322,245 8.866,246 8.866,247 8.866,248 8.866,249 8.866,250 6.819,251 16.026,252 3.072,253 9.164,254 3.447,255 1.262,256 0.799,257 0.323,258 0.258,259 0.258,260 3.556,262 1,263 1,264 243,265 3.162,266 33.041,267 41.231,268 62.894,269 1.246,270 16.689,272 0.75,273 0.83,274 0.83,275 0.5,277 0.83,278 1,279 0.68,280 37,281 120,282 4.537,283 3.408,284 6.782,285 4.185,286 3.192,287 4.194,288 1.072,289 11.121,290 3.168,291 3.939,292 2.924,293 5.977,294 3.553,295 2.581,296 3.293,297 0.782,298 8.29,299 2.507,300 3.545,301 2.693,302 4.925,303 3.113,304 2.196,305 2.727,306 0.6,307 5.374,308 2.014,309 3.202,310 2.221,311 4.606,312 2.665,313 1.712,314 2.35,316 4.735,317 1.628,318 2.92,319 1.678,320 4.184,321 2.541,322 1.542,323 2.068,324 3.748,325 1.538,326 2.651,327 1.358,328 3.749,329 2.14,330 1.162,331 1.627,332 2.845,333 1.134,334 1.997,335 1.006,336 3.265,337 1.762,338 0.783,339 0.907,340 1.784,341 0.765,342 1.565,343 0.631,344 2.869,345 1.355,346 0.376,347 0.419,349 0.874,350 0.367,351 0.875,352 -0.141,353 2.348,354 0.439,355 -0.543,356 -0.686,358 -1.375,359 -0.531,360 0.776,361 -0.353,362 2,363 0.238,364 -0.732,365 -0.976,367 -1.877,368 -0.707,369 0.419,370 -0.402,371 2,372 -0.1,373 -1,374 -1.262,376 -2,377 -0.9,378 0.414,379 -0.588,380 1.754,381 -0.1,382 -1,383 -1.371,385 -2,386 -0.9,387 0.12,388 -0.918,389 1.532,390 -0.21,391 -1.172,392 -1.565,394 -3.239,395 -1.129,396 -0.438,397 -1.296,398 1,399 -0.568,400 -1.548,401 -1.783,403 -4.505,404 -1.514,405 -0.5,406 -1.566,407 1,408 -0.693,409 -1.678,410 -2.115,411 -0.4,412 -5.097,413 -1.65,414 7.9,415 0.465,416 0.494,417 0.029,418 21,419 1.235,420 10.5,421 0.618,422 10.5,423 0.618,424 11.324,425 0.666,426 18.5,427 0.597,428 14.273,429 0.84,430 4.401,431 0.259,432 3.691,433 0.217,434 0.203,435 0.38,436 1.195,437 0.973,438 0.902,439 0.782,440 1.248,441 0.789,442 0.4,443 1.011,444 0.753,445 1.113,446 0.349,447 1.013,448 1.064,449 1.006,450 1.058,451 1.022,452 0.976,453 1.037,454 1.018,455 1.26,456 1.041,457 1.191,458 0.766,459 1.13,460 1.031,461 1.36,462 1.111,463 1.312,464 1.013,465 1.238,466 1.019,467 0.95,468 1.015,469 0.972,470 1.14,471 0.99,472 1.008,473 0.73,474 0.965,475 0.794,476 1.057,477 0.861,478 1.274,479 1.038,480 0.962,481 0.834,482 1.299,483 0.842,484 3.5,486 2.222,487 1.257,488 0.773,489 0.653,490 0.294,491 0.128,492 0.14,494 2061,495 6497,496 1.96,497 45.2,498 2,499 3,502 7,503 2,506 1.571,507 1.789,508 2.835,509 5.159,511 1,514 46.714,515 1.507,516 3.692,517 4.156,518 4.632,519 4.696,520 4.696,521 2.307,522 3.175,523 4.053,524 2.975,525 404.577,526 6.867,527 3605.06,529 1,531 153.58,532 1.549,533 3.989,534 0.194,536 0.089,537 0.052,538 0.035,539 0.038,540 0.024,541 0.016,542 0.023,544 0.473,545 0.5,546 1,547 1.576,548 69.7,549 -0.224,550 0.321,551 -0.042,552 0.287,553 -0.308,554 0.174,555 0.318,556 0.192,557 0.099,558 0.034,559 0.291,560 0.029,561 -0.13,562 0.089,563 -0.142,564 -0.004,565 -0.116,566 -0.065,567 -0.159,568 -0.215,569 -0.122,570 -0.159,571 -0.082,572 -0.138,573 -0.126,574 -0.408,575 -0.156,576 -0.331,577 -0.115,578 -0.261,579 0.006,580 -0.121,581 0.008,582 -0.072,583 -0.053,584 -0.037,585 0.049,586 0.05,587 0.084,588 0.083,589 -0.02,590 0.089,591 -0.161,592 -0.243,593 0.088,594 0.021,595 -0.109,596 0.088,597 1.853,598 2.508,599 0.529,600 11.163,601 1.005,602 1.15,603 1.872,604 3.504,605 0.648,606 2.944,607 3.258,608 3.497,609 3.761,610 3.912,611 3.951,612 4.007,613 3.951,614 3.664,615 3.401,616 4.408,617 0.621,618 230.31,619 2.944,620 4.466,621 5.303,622 6.184,623 7.054,624 7.943,625 8.825,626 9.719,627 10.608,628 11.503,629 19.4,630 2,631 1,636 3,639 3,641 3,643 6,647 31,648 9,649 1,650 18,651 32,652 11,653 6,654 3,655 3,656 2,657 2,658 3,659 1,660 1,662 2,663 2,664 9,665 2,666 3,667 2,670 1,671 3,673 1,674 14,675 6,676 7,677 6,680 6,681 1,682 0.5,688 1,689 1,690 1,694 2,700 1,703 17,704 2,706 2,707 1,716 9.5,717 5.117,718 3.778,719 1.593,720 1.893,721 1.311,722 1,723 3.11,724 7.98,725 3.219,726 3.773,727 4.273,728 4.823,729 5.292,730 5.514,731 5.821,732 5.961,733 5.936,734 5.913,735 0.8,736 24,737 6.185,739 2.569,740 8,741 11.506,743 9.197,745 2.5,746 42.5,747 0.001,748 82.398,749 50.038,750 163.69,753 50.038,754 82.398,755 163.69,757 70.863,758 46.317,759 5.085,760 89.564,761 1.899,762 82.398,763 82.398,764 213.728,767 82.398,770 168.759,771 44.969,774 82.398,775 163.69,776 50.038,777 82.398,778 21.61,779 28.429,780 17.888,781 145.801,782 82.398,783 163.69,784 50.038,785 0.58,786 0.323,787 0.175,788 0.097,789 12,790 6,791 0.094,792 3,793 1,794 1.222,795 2.857,796 115.318,797 0.222,798 9,799 69.487,801 11.61,802 4.553,803 2.29,805 163.69,806 5.627,808 2.783,810 147.027,811 296.126,812 24,813 14.566,816 4.07,817 0.731,818 31.145,819 35.651,820 0.304,821 0.745,822 0.839,823 0.935,824 0.948,825 0.948,826 4.449,827 0.376,828 5.303,829 1.784,830 3.932,831 4.454,832 1.548,833 6.129,834 3.877,835 5.664,836 -0.543,837 6.876,838 0.874,839 3.611,840 4.35,841 0.623,842 7.13,843 3.516,844 6.979,845 -0.732,846 8.556,847 -1.375,848 5.525,849 6.597,850 1.269,851 10.233,852 5.439,853 8.332,854 -1,855 10.299,856 -1.877,857 6.019,858 7.291,859 0.819,860 12.093,861 5.913,862 9.715,863 -1,864 12.084,865 -2,866 7.449,867 9.069,868 1.152,869 14.732,870 7.348,871 11.122,872 -1.172,873 13.898,874 -2,875 8.309,876 10.136,877 0.94,878 16.92,879 8.203,880 12.548,881 -1.548,882 15.733,883 -3.239,884 9.558,885 11.724,886 1.131,887 19.407,888 9.452,889 3.192,890 -1.678,891 17.584,892 -4.505,893 10.583,894 12.974,895 1.043,896 21.723,897 10.476,898 2.581,899 11.121,900 19.447,901 -5.097,902 11.766,903 14.477,904 1.164,905 24.158,906 11.656,907 2.196,908 8.29,909 21.319,910 4.194,911 12.863,912 15.818,913 1.141,914 26.526,915 12.751,916 1.712,917 5.374,918 23.199,919 3.293,920 14.024,921 17.283,922 1.228,923 28.942,924 13.909,925 1.542,926 4.735,927 25.083,928 2.727,929 15.154,930 18.668,931 1.24,932 31.332,933 15.035,934 1.162,935 3.748,936 26.972,937 2.35,938 16.309,939 20.116,940 1.311,941 33.743,942 16.185,943 0.783,944 2.845,945 28.865,946 2.068,947 17.454,948 21.524,949 1.342,950 36.143,951 17.325,952 2192,953 3937,954 11.444,955 20.08,956 27.378,957 27.162,958 28.269,959 27.159,960 27.088,961 35.171,962 4.908,963 77.541,964 26.244,965 5.375,966 5.408,967 6.293,968 5.185,969 5.192,970 7.194,971 1.854,972 18.41,973 5.168,974 9.767,975 1.521,976 1.509,977 1.57,978 1.509,979 1.505,980 1.954,981 0.273,982 4.308,983 1.458,984 4.035,985 4.066,986 3.988,987 3.976,988 5.89,989 3.975,990 3.584,991 3.671,992 3.518,993 3.382,994 5.877,995 3.396,996 3.435,997 3.525,998 3.336,999 3.152,1000 4.837,1001 3.194,1002 3.305,1003 3.385,1004 3.179,1005 3.11,1006 4.796,1007 3.124,1008 2.922,1009 3.029,1010 2.793,1011 2.659,1012 4.748,1013 2.68,1014 2.618,1015 2.742,1016 2.448,1017 2.426,1018 4.428,1019 2.414,1020 2.536,1021 2.637,1022 2.335,1023 2.281,1024 3.848,1025 2.291,1026 2.451,1027 2.622,1028 2.141,1029 1.958,1030 3.499,1031 1.972,1032 0.252,1033 0.189,1034 0.377,1035 0.232,1036 0.177,1037 4.537,1038 0.233,1039 3.408,1040 0.06,1041 6.782,1042 0.618,1043 4.185,1044 0.176,1045 3.192,1046 4.194,1047 1.072,1048 11.121,1049 3.168,1050 1.917,1051 1.896,1052 2.002,1053 1.993,1054 1.198,1055 1.996,1056 1.576,1057 1.514,1058 1.778,1059 1.815,1060 1.036,1061 1.792,1062 1.334,1063 1.238,1064 1.529,1065 1.633,1066 0.405,1067 1.631,1068 1.247,1069 1.165,1070 1.447,1071 1.554,1072 0.243,1073 1.536,1074 1.033,1075 0.975,1076 1.24,1077 1.245,1078 0.128,1079 1.247,1080 0.606,1081 0.511,1082 0.962,1083 0.947,1085 0.957,1086 0.477,1087 0.315,1088 0.916,1089 0.916,1091 0.934,1092 0.326,1093 0.14,1094 0.805,1095 0.78,1097 0.801,1098 3.611,1099 4.92,1100 2.398,1101 6.418,1102 4.727,1103 8.015,1104 6.843,1105 9.669,1107 10.708,1109 1.573,1110 2.441,1114 19.236,1115 46.714,1116 114.461,1117 128.825,1118 143.58,1119 145.58,1120 145.58,1121 25.535,1122 6.087,1123 124.13,1124 124.13,1125 11,1126 12.03,1127 3.322,1128 2.807,1129 28.366,1130 44,1131 44,1132 0.337,1133 124.701,1134 213.4,1135 296.03,1136 2693,1137 12.414,1138 0.73,1139 0.544,1140 12.414,1141 9.248,1142 8.092,1143 0.45,1144 0.29,1145 5.159,1146 7.801,1147 5.057,1148 4.207,1149 8.092,1150 5.226,1151 7.475,1152 0.299,1153 0.153,1154 7.475,1155 3.829,1156 5.622,1157 0.176,1158 0.084,1159 5.622,1160 2.7,1161 4.703,1162 0.112,1163 0.048,1164 4.703,1165 2.001,1166 3.654,1167 0.075,1168 0.025,1169 3.654,1170 1.249,1171 0.505,1172 50.616,1173 0.296,1174 16.918,1175 0.988,1176 86,1177 235.268,1178 93.771,1179 241.899,1180 328.4,1181 222,1182 100,1183 247.395,1184 106.633,1185 253.709,1186 362.97,1187 238,1188 8.301}
{0 CHEMBL1202794,1 1.538,2 7.188,3 -0.915,4 0.838,5 60.593,6 7.562,7 0.375,8 3.463,9 3.641,10 2.99,11 2.853,12 4.814,13 2.869,14 3.815,15 4.02,16 3.271,17 3.136,18 5.167,19 3.122,20 3.991,21 4.215,22 3.268,23 3.207,24 5.321,25 3.188,26 4.037,27 4.294,28 3.127,29 3.175,30 5.22,31 3.117,32 3.96,33 4.215,34 3.081,35 3.093,36 5.149,37 3.021,38 3.923,39 4.193,40 2.899,41 2.946,42 5.206,43 2.86,44 3.885,45 4.219,46 2.544,47 2.728,48 5.031,49 2.604,50 3.509,51 3.837,52 2.234,53 2.42,54 4.518,55 2.284,56 0.116,57 0.452,58 6.102,59 1.536,60 19.264,61 2.703,62 0.159,63 0.592,64 9.149,65 2.874,66 27.174,67 4.613,68 0.267,69 0.636,70 11.362,71 2.4,72 35.24,73 4.481,74 0.246,75 0.591,76 12.607,77 2.693,78 32.602,79 5.139,80 0.175,81 0.536,82 11.566,83 3.014,84 27.939,85 5.378,86 0.26,87 0.455,88 11.467,89 2.441,90 35.916,91 4.587,92 0.3,93 0.347,94 12.413,95 1.995,96 46.161,97 4.288,98 0.136,99 0.244,100 8.345,101 1.676,102 21.568,103 3.388,104 33,105 21,106 0.3,107 0.72,108 0.784,109 0.834,110 0.834,111 0.834,112 2.851,113 0.833,114 -1.36,115 -1.44,116 -1.5,117 31,118 1,126 2,127 1,128 1,129 1,136 1,137 1,138 1,141 3,142 3,143 3,144 1,150 2,152 3,153 2,154 2,155 2,156 2,158 3,159 1,161 1,163 1,164 1,165 4,166 2,167 2,169 4,171 1,172 2,174 1,175 2,181 1,186 2,187 1,188 2,190 2,192 1,193 2,195 1,196 3,197 4,199 4,202 3,206 1,207 2,209 2,212 2,218 2,222 2,228 4,231 6,234 2,235 284,236 10.121,237 10.121,238 10.121,239 10.121,240 10.121,241 8.642,242 10.192,243 6.07,244 10.394,245 7.862,246 7.862,247 7.862,248 7.862,249 7.862,250 5.792,251 11.527,252 2.865,253 8.263,254 3.32,255 1.165,256 0.837,257 0.578,258 0.578,259 0.578,260 3.468,263 1,264 221,265 3.464,267 57.446,269 1.211,270 16.553,272 0.75,273 0.83,274 0.83,275 0.5,277 0.83,278 1,279 0.68,280 35.5,281 115,282 4.289,283 3.136,284 6.135,285 3.878,286 2.905,287 3.897,288 1.072,289 8.973,290 2.827,291 3.93,292 2.888,293 5.787,294 3.513,295 2.548,296 3.304,297 0.782,298 7.694,299 2.457,300 3.617,301 2.701,302 4.678,303 3.097,304 2.183,305 2.873,306 0.6,307 5.2,308 1.994,309 3.121,310 1.944,311 4.192,312 2.55,313 1.611,314 2.274,316 3.841,317 1.509,318 2.636,319 1.344,320 3.667,321 2.094,322 1.127,323 1.621,324 2.708,325 1.087,326 2.529,327 1.102,328 3.435,329 1.941,330 1,331 1.475,332 2.322,333 0.939,334 1.442,335 0.64,336 2.728,337 1.328,338 0.353,339 0.373,340 0.752,341 0.343,342 0.803,343 -0.245,344 2,345 0.303,346 -0.664,347 -0.873,349 -1.568,350 -0.64,351 0.655,352 -0.354,353 2,354 0.135,355 -0.836,356 -1,358 -2,359 -0.807,360 0.467,361 -0.597,362 1.584,363 -0.072,364 -1,365 -1.085,367 -2,368 -0.9,369 0.408,370 -0.6,371 1.402,372 -0.1,373 -1,374 -1.43,376 -2.346,377 -0.9,379 -0.785,380 1.265,381 -0.1,382 -1,383 -1.481,385 -2.539,386 -0.928,387 -0.296,388 -1.249,389 1,390 -0.585,391 -1.553,392 -1.974,393 -0.4,394 -4.156,395 -1.498,396 -0.463,397 -1.557,398 1,399 -0.776,400 -1.748,401 -2.272,402 -0.6,403 -5.24,404 -1.688,405 -0.5,406 -1.788,407 0.672,408 -0.967,409 -1.926,410 -2.7,411 -0.672,412 -5.455,413 -1.848,414 7.3,415 0.456,416 0.497,417 0.031,418 20.5,419 1.281,420 10.5,421 0.656,422 10,423 0.625,424 9.623,425 0.601,426 17.9,427 0.617,428 14.268,429 0.892,430 4.548,431 0.284,432 2.955,433 0.185,434 0.288,435 0.342,436 1.233,437 1.252,438 0.912,439 0.91,440 1.426,441 0.851,442 0.49,443 1.214,444 0.64,445 1.13,446 0.367,447 0.941,448 1.327,449 1.057,450 1.176,451 0.989,452 1.162,453 1.044,454 1.21,455 1.091,456 1.108,457 1.024,458 1.068,459 1.042,460 0.682,461 1.348,462 0.872,463 1.324,464 0.693,465 1.159,466 0.989,467 1.078,468 1.187,469 1.256,470 0.921,471 1.263,472 1.214,473 0.623,474 1.069,475 0.67,476 1.249,477 0.82,478 0.819,479 1.04,480 0.809,481 0.955,482 0.815,483 0.888,484 4,486 2,487 0.875,488 0.702,489 0.611,490 0.183,491 0.128,492 0.14,494 1690,495 6066,496 1.828,497 44.8,499 2,501 1,502 7,503 3,506 1.55,507 1.655,508 2.899,509 5.362,514 44.595,515 1.538,516 3.693,517 4.021,518 4.28,519 4.28,520 4.28,521 2.281,522 3.375,523 3.969,524 3.018,525 362.133,526 6.683,527 3194.32,531 140.881,532 1.579,533 3.882,534 0.25,536 0.095,537 0.044,538 0.041,539 0.038,540 0.015,541 0.016,542 0.023,544 0.523,545 0.5,546 1,547 1.899,548 65.102,549 -0.273,550 0.086,551 -0.059,552 0.189,553 -0.44,554 0.119,555 0.322,556 -0.001,557 0.237,558 0.018,559 0.361,560 0.099,561 -0.267,562 0.112,563 -0.266,564 -0.014,565 -0.223,566 -0.126,567 -0.255,568 -0.059,569 -0.169,570 -0.035,571 -0.227,572 -0.078,573 0.131,574 -0.339,575 0.059,576 -0.258,577 0.11,578 -0.131,579 0.023,580 -0.112,581 -0.225,582 -0.327,583 0.021,584 -0.328,585 -0.136,586 0.105,587 -0.017,588 0.15,589 -0.145,590 0.098,591 0.039,592 -0.316,593 0.22,594 -0.008,595 0.067,596 0.126,597 1.79,598 2.286,599 0.375,600 10.219,601 1.013,602 1.163,603 0.126,604 0.016,605 0.632,606 2.833,607 3.091,608 3.178,609 3.258,610 3.434,611 3.296,612 3.178,613 2.89,614 2.639,615 2.197,616 4.55,617 0.611,618 219.29,619 2.833,620 4.317,621 5.094,622 5.922,623 6.73,624 7.56,625 8.38,626 9.211,627 10.038,628 10.87,629 24.1,630 3,636 3,637 1,639 3,640 1,641 2,643 6,644 1,647 29,648 9,650 16,651 29,652 9,653 5,656 3,657 1,658 1,660 1,661 1,664 8,665 1,666 3,667 1,670 2,671 3,673 1,674 13,675 7,676 7,677 7,680 7,681 1,682 1,686 1,689 1,694 3,700 1,702 1,703 16,704 3,716 9.667,717 5.1,718 3.639,719 1.305,720 1.976,721 1.365,722 0.943,723 3.969,724 7.383,725 3.135,726 3.676,727 4.099,728 4.566,729 5.061,730 5.179,731 5.43,732 5.423,733 5.511,734 5.411,735 0.8,736 20,737 5.756,738 0.001,739 2.24,740 8.146,741 10.381,743 7.482,745 2.646,746 42.333,747 0.001,748 70.627,749 49.751,750 180.475,753 49.751,754 70.627,755 180.475,756 8.825,757 98.692,758 18.952,759 33.641,760 79.988,761 1.899,762 58.856,763 70.627,764 230.226,767 70.627,770 184.319,771 29.122,772 16.786,774 70.627,775 180.475,776 49.751,777 70.627,778 12.926,779 36.825,781 180.475,782 70.627,783 180.475,784 49.751,785 0.575,786 0.301,787 0.136,788 0.083,789 8,790 5,791 0.103,792 3,794 1,795 2.736,796 94.854,798 6,799 62,801 12.136,802 5.232,803 3.63,805 180.475,806 4.823,807 4.066,808 1.141,810 130.364,811 300.853,812 22,813 7.286,816 7.286,817 0.386,818 29.363,819 33.734,820 0.317,821 0.76,822 0.828,823 0.881,824 0.881,825 0.881,826 4.324,827 -0.664,828 5.081,829 0.752,830 3.761,831 4.357,832 1.548,833 5.802,834 3.671,835 5.546,836 -0.836,837 6.605,838 -1.568,839 3.434,840 4.159,841 0.623,842 6.613,843 3.297,844 6.844,845 -1,846 8.229,847 -2,848 5.273,849 6.47,850 1.269,851 9.584,852 5.114,853 8.172,854 -1,855 9.908,856 -2,857 5.673,858 6.98,859 0.819,860 11.165,861 5.479,862 9.524,863 -1,864 11.621,865 -2.346,866 7.06,867 8.835,868 1.152,869 13.667,870 6.845,871 10.891,872 -1.553,873 13.357,874 -2.539,875 7.787,876 9.694,877 0.94,878 15.569,879 7.546,880 12.272,881 -1.748,882 15.109,883 -4.156,884 8.985,885 11.329,886 1.131,887 17.884,888 8.72,889 2.905,890 -1.926,891 16.872,892 -5.24,893 9.871,894 12.387,895 1.043,896 19.933,897 9.584,898 2.548,899 8.973,900 18.644,901 -5.455,902 10.984,903 13.901,904 1.164,905 22.17,906 10.673,907 2.183,908 7.694,909 20.422,910 3.897,911 11.952,912 15.078,913 1.141,914 24.287,915 11.619,916 1.611,917 5.2,918 22.205,919 3.304,920 13.029,921 16.523,922 1.228,923 26.492,924 12.671,925 1.127,926 3.841,927 23.992,928 2.873,929 14.038,930 17.772,931 1.24,932 28.643,933 13.658,934 1,935 2.708,936 25.782,937 2.274,938 15.101,939 19.179,940 1.311,941 30.836,942 14.695,943 0.353,944 2.322,945 27.573,946 1.621,947 16.132,948 20.471,949 1.342,950 33.004,951 15.703,952 1887,953 3643,954 9.652,955 18.324,956 23.877,957 23.501,958 24.493,959 23.501,960 23.453,961 31.633,962 4.908,963 62.984,964 22.311,965 4.926,966 5.136,967 5.68,968 4.916,969 4.905,970 6.897,971 1.854,972 15.162,973 4.774,974 10.405,975 1.492,976 1.469,977 1.531,978 1.469,979 1.466,980 1.977,981 0.307,982 3.936,983 1.394,984 3.932,985 3.974,986 3.89,987 3.824,988 5.88,989 3.834,990 3.596,991 3.684,992 3.537,993 3.355,994 5.353,995 3.384,996 3.382,997 3.478,998 3.285,999 3.099,1000 4.897,1001 3.138,1002 3.234,1003 3.334,1004 3.095,1005 2.969,1006 4.783,1007 2.994,1008 2.778,1009 2.865,1010 2.581,1011 2.629,1012 4.659,1013 2.606,1014 2.608,1015 2.803,1016 2.397,1017 2.285,1018 4.541,1019 2.301,1020 2.601,1021 2.732,1022 2.306,1023 2.061,1024 3.787,1025 2.1,1026 2.477,1027 2.634,1028 2.27,1029 2.05,1030 3.679,1031 2.083,1032 0.268,1033 0.196,1034 0.383,1035 0.242,1036 0.182,1037 4.289,1038 0.244,1039 3.136,1040 0.067,1041 6.135,1042 0.561,1043 3.878,1044 0.177,1045 2.905,1046 3.897,1047 1.072,1048 8.973,1049 2.827,1050 1.877,1051 1.843,1052 1.966,1053 2.01,1054 1.024,1055 1.998,1056 1.492,1057 1.42,1058 1.691,1059 1.781,1060 0.726,1061 1.745,1062 1.285,1063 1.188,1064 1.519,1065 1.602,1066 0.192,1067 1.595,1068 1.158,1069 1.063,1070 1.392,1071 1.475,1072 0.111,1073 1.472,1074 0.807,1075 0.73,1076 1.111,1077 1.057,1078 0.023,1079 1.064,1080 0.529,1081 0.413,1082 1.021,1083 1.019,1085 1.053,1086 0.508,1087 0.307,1088 0.871,1089 0.918,1091 0.919,1092 0.352,1093 0.196,1094 0.75,1095 0.832,1097 0.822,1098 3.497,1099 4.762,1101 6.205,1103 7.727,1105 9.296,1106 1.707,1107 15.639,1114 17.73,1115 44.595,1116 107.107,1117 116.617,1118 124.127,1119 124.127,1120 124.127,1121 26.361,1122 5.407,1123 139.52,1124 139.52,1125 6,1126 11.443,1127 3.322,1128 2.807,1129 34.539,1130 42,1131 40,1132 0.413,1133 119.704,1134 202.16,1135 283.837,1136 1071,1137 12.129,1138 0.758,1139 0.55,1140 12.129,1141 8.806,1142 7.503,1143 0.469,1144 0.278,1145 4.363,1146 7.137,1147 4.22,1148 3.592,1149 7.503,1150 4.444,1151 6.879,1152 0.328,1153 0.145,1154 6.879,1155 3.054,1156 4.702,1157 0.204,1158 0.076,1159 4.702,1160 1.757,1161 3.221,1162 0.129,1163 0.039,1164 3.221,1165 0.98,1166 2.67,1167 0.089,1168 0.021,1169 2.67,1170 0.629,1171 0.632,1172 47.535,1173 0.322,1174 16.285,1175 1.168,1176 74,1177 243.205,1178 83.492,1179 247.619,1180 329.74,1181 226,1182 81,1183 245.589,1184 89.326,1185 251.264,1186 349.98,1187 233,1188 5.292}
{0 CHEMBL147297,1 1.729,2 7.813,3 -0.372,4 0.139,5 57.929,6 8.195,7 0.375,8 3.425,9 3.589,10 3.01,11 2.76,12 4.859,13 2.811,14 3.733,15 3.908,16 3.25,17 3.026,18 5.169,19 3.05,20 3.946,21 4.175,22 3.252,23 3.081,24 5.423,25 3.083,26 3.915,27 4.167,28 3.083,29 2.986,30 5.202,31 2.963,32 3.766,33 3.99,34 2.971,35 2.856,36 5.07,37 2.848,38 3.735,39 3.993,40 2.864,41 2.728,42 5.102,43 2.699,44 3.583,45 3.847,46 2.615,47 2.544,48 4.918,49 2.503,50 3.369,51 3.649,52 2.386,53 2.326,54 4.651,55 2.277,56 0.198,57 0.412,58 5.272,59 1.258,60 22.96,61 2.119,62 0.22,63 0.527,64 7.22,65 2.212,66 26.15,67 3.45,68 0.371,69 0.535,70 10.388,71 2.253,72 51.325,73 3.908,74 0.343,75 0.464,76 11.14,77 2.263,78 39.948,79 4.249,80 0.245,81 0.403,82 8.814,83 1.791,84 30.23,85 3.45,86 0.291,87 0.337,88 9.438,89 2.069,90 35.125,91 3.611,92 0.302,93 0.28,94 8.363,95 1.492,96 35.706,97 2.844,98 0.207,99 0.22,100 6.743,101 1.041,102 25.787,103 2.381,104 27,105 20,106 0.343,107 0.746,108 0.864,109 0.913,110 0.928,111 0.928,112 2.85,113 0.792,114 -1.1,115 -1.2,116 -1.28,117 29.6,126 3,129 2,134 1,137 1,138 1,141 1,142 1,143 1,147 1,148 1,150 2,152 2,155 4,158 2,159 1,164 1,165 2,166 1,167 4,168 1,169 2,175 1,177 2,179 4,186 1,190 4,196 1,197 4,199 4,202 1,207 1,208 2,209 2,212 1,217 1,218 2,222 1,228 4,231 2,235 286,236 10.491,237 10.491,238 10.491,239 10.491,240 10.491,241 9.286,242 9.337,243 6.416,244 10.788,245 7.821,246 7.821,247 7.821,248 7.821,249 7.821,250 5.926,251 6.881,252 2.969,253 8.246,254 3.026,255 0.991,256 0.398,257 0.148,258 0.074,259 0.074,260 3.474,262 1,263 1,264 240,265 3.317,267 57.684,269 1.336,270 18.596,272 0.75,273 0.83,274 0.83,275 0.5,277 0.67,278 0.5,279 0.58,280 36.5,281 125,282 4.221,283 3.666,284 6.057,285 3.801,286 2.845,287 3.821,288 1.281,289 8.727,290 2.719,291 3.731,292 2.834,293 5.275,294 3.314,295 2.358,296 3.054,297 1.072,298 6.674,299 2.256,300 3.537,301 2.734,302 4.65,303 3.101,304 2.182,305 2.72,307 5.155,308 2.002,309 2.989,310 2.403,311 4.084,312 2.462,313 1.499,314 2.097,316 3.514,317 1.442,318 2.602,319 1.712,320 3.481,321 2.078,322 1.116,323 1.571,324 2.507,325 1.07,326 2.547,327 1.303,328 3.234,329 1.946,330 1,331 1.448,332 2.143,333 0.943,334 1.471,335 1.093,336 2.487,337 1.158,338 0.188,339 0.223,340 0.249,341 0.182,342 1.21,343 0.196,344 2.38,345 0.856,346 -0.105,347 -0.127,349 -0.245,350 -0.1,351 0.792,352 -0.372,353 1.736,354 0.229,355 -0.723,356 -1.011,358 -1.67,359 -0.686,360 0.643,361 -0.467,362 1.668,363 0.094,364 -0.86,365 -1.161,367 -2,368 -0.819,369 0.393,370 -0.605,371 1.347,372 -0.1,373 -1,374 -1.438,376 -2.331,377 -0.9,378 -0.018,379 -0.79,380 1.236,381 -0.411,382 -1.352,383 -1.723,385 -2.954,386 -1.265,387 -0.268,388 -1.258,389 1,390 -0.499,391 -1.44,392 -1.78,394 -3.754,395 -1.36,396 -0.5,397 -1.575,398 0.491,399 -0.813,400 -1.775,401 -2.182,402 -0.4,403 -4.694,404 -1.706,405 -0.638,406 -1.775,407 0.457,408 -0.974,409 -1.933,410 -2.511,411 -0.672,412 -5.333,413 -1.823,414 7.133,415 0.446,416 0.37,417 0.023,418 20.75,419 1.297,420 10.5,421 0.656,422 10.25,423 0.641,424 8.316,425 0.52,426 18.067,427 0.669,428 14.692,429 0.918,430 4.754,431 0.297,432 2.876,433 0.18,434 0.215,435 0.28,436 1.094,437 1.233,438 0.862,439 0.812,440 1.211,441 0.77,442 0.769,443 1.354,444 0.821,445 1.273,446 0.652,447 1.092,448 0.893,449 0.825,450 1.053,451 0.93,452 0.827,453 1.003,454 0.949,455 1.07,456 0.93,457 0.98,458 0.84,459 0.947,460 1.161,461 1.516,462 1.068,463 1.367,464 1.061,465 1.208,466 0.881,467 0.937,468 0.93,469 1.128,470 0.85,471 1.061,472 1.099,473 0.838,474 1.119,475 0.903,476 1.136,477 1.015,478 0.866,479 1.188,480 1.009,481 1.058,482 1.026,483 1.048,484 3.5,486 1.556,487 0.75,488 0.502,489 0.465,490 0.223,491 0.128,492 0.14,493 0.04,494 1794,495 7550,496 1.861,497 40.7,499 3,501 1,502 7,506 1.547,507 1.714,508 3.001,509 5.423,514 46.677,515 1.729,516 3.764,517 4.357,518 4.607,519 4.681,520 4.681,521 2.514,522 3.5,523 3.967,524 3.13,525 375.565,526 6.666,527 3353.19,531 128.382,532 1.5,533 3.906,534 0.219,536 0.078,537 0.039,538 0.031,539 0.033,540 0.019,541 0.014,542 0.02,543 0.008,544 0.461,545 0.33,546 0.88,547 2,548 65.9,549 -0.182,550 0.081,551 -0.074,552 0.27,553 -0.34,554 0.147,555 0.025,556 -0.066,557 -0.025,558 -0.138,559 0.049,560 -0.112,561 -0.013,562 0.275,563 -0.161,564 0.023,565 0.027,566 -0.088,567 -0.051,568 -0.112,569 0.033,570 0.022,571 -0.026,572 0.053,573 -0.253,574 -0.487,575 -0.153,576 -0.34,577 -0.192,578 -0.226,579 0.081,580 -0.032,581 0.063,582 -0.161,583 0.084,584 -0.072,585 -0.048,586 0.018,587 -0.104,589 -0.125,590 -0.066,592 -0.347,593 0.004,594 -0.151,595 -0.072,596 -0.069,597 1.947,598 2.523,599 0.375,600 11.609,601 1.03,602 1.168,603 -0.128,604 0.016,605 0.63,606 2.833,607 3.045,608 3.135,609 3.219,610 3.332,611 3.258,612 3.178,613 2.996,614 2.773,615 2.485,616 4.83,617 0.627,618 221.26,619 2.833,620 4.29,621 5.056,622 5.866,623 6.658,624 7.476,625 8.278,626 9.1,627 9.908,628 10.732,629 25.9,630 1,631 2,636 3,637 1,639 3,640 1,641 2,643 6,647 27,648 9,650 16,651 27,652 8,653 5,656 2,657 1,658 1,659 1,660 1,664 8,666 3,667 2,669 1,670 1,671 2,673 1,674 11,675 8,676 7,677 8,680 7,681 1,682 1,683 1,686 1,689 1,694 1,695 1,698 1,700 1,703 16,704 1,705 1,707 2,711 3.7,712 1,716 9.333,717 4.267,718 3.778,719 1.135,720 1.806,721 1.333,722 0.903,723 4.383,724 7.227,725 3.135,726 3.597,727 4.012,728 4.462,729 4.922,730 5.041,731 5.276,732 5.217,733 5.235,734 5.173,735 1,736 19,737 5.733,738 0.001,739 2.242,740 8.354,741 10.149,743 7.229,745 2.854,746 45.667,748 47.084,749 47.217,750 162.051,751 42.806,753 47.217,754 89.89,755 162.051,757 32.897,758 103.595,759 39.932,760 85.52,761 1.899,762 35.313,763 47.084,764 209.267,765 42.806,767 47.084,769 42.806,770 150.779,771 32.656,772 25.833,774 47.084,775 204.856,776 47.217,777 47.084,778 9.741,779 37.476,780 32.361,781 172.495,782 47.084,783 204.856,784 47.217,785 0.556,786 0.296,787 0.138,788 0.073,789 7,790 4,791 0.185,792 5,794 1,795 2.815,796 92.326,798 6,799 64,801 12.097,802 5.798,803 3.976,805 204.856,806 4.865,807 3.993,808 0.737,810 171.408,811 299.157,812 22,813 14.138,815 1.343,816 3.627,817 -0.494,818 27.807,819 31.528,820 0.364,821 0.792,822 0.916,823 0.969,824 0.984,825 0.984,826 4.297,827 -0.105,828 5.004,829 0.249,830 3.714,831 4.277,832 1.798,833 5.68,834 3.614,835 5.473,836 -0.723,837 6.491,838 -0.245,839 3.219,840 3.951,841 0.623,842 6.389,843 3.046,844 6.739,845 -0.86,846 8.076,847 -1.67,848 5.176,849 6.319,850 2.07,851 9.36,852 4.98,853 8.037,854 -1,855 9.718,856 -2,857 5.442,858 6.748,859 0.819,860 10.874,861 5.173,862 9.361,863 -1.352,864 11.397,865 -2.331,866 6.897,867 8.63,868 2.437,869 13.361,870 6.608,871 10.704,872 -1.44,873 13.102,874 -2.954,875 7.53,876 9.436,877 0.94,878 15.223,879 7.176,880 12.061,881 -1.775,882 14.825,883 -3.754,884 8.759,885 11.087,886 2.848,887 17.522,888 8.381,889 2.845,890 -1.933,891 16.562,892 -4.694,893 9.583,894 12.105,895 1.043,896 19.545,897 9.147,898 2.358,899 8.727,900 18.311,901 -5.333,902 10.707,903 13.63,904 3.286,905 21.765,906 10.241,907 2.182,908 6.674,909 20.068,910 3.821,911 11.632,912 14.774,913 1.141,914 23.864,915 11.114,916 1.499,917 5.155,918 21.832,919 3.054,920 12.708,921 16.226,922 3.743,923 26.052,924 12.154,925 1.116,926 3.514,927 23.602,928 2.72,929 13.687,930 17.446,931 1.24,932 28.185,933 13.085,934 1,935 2.507,936 25.377,937 2.097,938 14.741,939 18.854,940 4.212,941 30.36,942 14.1,943 0.188,944 2.143,945 27.156,946 1.571,947 15.75,948 20.121,949 1.342,950 32.51,951 15.062,952 1986,953 4143,954 9.94,955 17.017,956 22.946,957 25.28,958 23.561,959 22.422,960 22.375,961 29.868,962 4.705,963 57.938,964 21.227,965 4.933,966 5.666,967 5.64,968 4.844,969 4.845,970 6.821,971 2.561,972 14.716,973 4.674,974 9.581,975 1.434,976 1.58,977 1.473,978 1.401,979 1.398,980 1.867,981 0.294,982 3.621,983 1.327,984 3.916,985 3.96,986 3.874,987 3.799,988 6.51,989 3.811,990 3.565,991 3.663,992 3.498,993 3.261,994 5.889,995 3.309,996 3.393,997 3.469,998 3.317,999 3.122,1000 5.806,1001 3.162,1002 3.136,1003 3.223,1004 3.029,1005 2.898,1006 4.9,1007 2.92,1008 2.745,1009 2.818,1010 2.602,1011 2.38,1012 4.792,1013 2.41,1014 2.6,1015 2.733,1016 2.454,1017 2.229,1018 4.505,1019 2.283,1020 2.475,1021 2.595,1022 2.312,1023 2,1024 3.808,1025 2.077,1026 2.423,1027 2.578,1028 2.133,1029 1.926,1030 3.564,1031 1.95,1032 0.264,1033 0.229,1034 0.379,1035 0.238,1036 0.178,1037 4.221,1038 0.239,1039 3.666,1040 0.08,1041 6.057,1042 0.545,1043 3.801,1044 0.17,1045 2.845,1046 3.821,1047 1.281,1048 8.727,1049 2.719,1050 1.859,1051 1.823,1052 1.951,1053 1.999,1054 0.98,1055 1.985,1056 1.419,1057 1.333,1058 1.569,1059 1.767,1060 0.406,1061 1.72,1062 1.268,1063 1.195,1064 1.422,1065 1.59,1066 0.205,1067 1.545,1068 1.06,1069 0.982,1070 1.28,1071 1.35,1072 0.073,1073 1.335,1074 0.594,1075 0.511,1076 0.931,1077 1.043,1079 0.997,1080 0.483,1081 0.364,1082 0.872,1083 0.934,1085 0.938,1086 0.358,1087 0.217,1088 0.793,1089 0.787,1091 0.804,1092 0.304,1093 0.144,1094 0.672,1095 0.74,1097 0.73,1098 3.497,1099 4.727,1101 6.142,1103 7.641,1105 9.186,1107 5.017,1108 8.523,1110 3.918,1114 16.918,1115 46.677,1116 101.627,1117 117.627,1118 124.382,1119 126.382,1120 126.382,1121 27.743,1122 5.421,1123 143.26,1124 143.26,1125 6,1126 11.314,1127 3.322,1128 2.807,1129 34.665,1130 45,1131 42,1132 0.386,1133 114.108,1134 193.65,1135 270.183,1136 1140,1137 11.966,1138 0.748,1139 0.514,1140 11.966,1141 8.228,1142 7.63,1143 0.477,1144 0.264,1145 4.12,1146 7.147,1147 4.068,1148 3.443,1149 7.63,1150 4.224,1151 6.503,1152 0.325,1153 0.136,1154 6.503,1155 2.718,1156 4.666,1157 0.212,1158 0.069,1159 4.666,1160 1.52,1161 3.26,1162 0.136,1163 0.037,1164 3.26,1165 0.888,1166 2.388,1167 0.088,1168 0.019,1169 2.388,1170 0.525,1171 0.601,1172 49.275,1173 0.317,1174 16.509,1175 1.057,1176 72,1177 274.084,1178 83.292,1179 272.565,1180 355.24,1181 248,1182 78,1183 257.794,1184 88.543,1185 259.929,1186 361.17,1187 241,1188 4.602}
{0 CHEMBL148996,1 1.558,2 7.267,3 -0.241,4 0.058,5 56.287,6 7.895,7 0.4,8 3.369,9 3.548,10 2.929,11 2.746,12 4.753,13 2.778,14 3.688,15 3.876,16 3.192,17 3.01,18 5.135,19 3.013,20 3.893,21 4.133,22 3.138,23 3.05,24 5.296,25 3.03,26 3.849,27 4.123,28 2.936,29 2.946,30 5.024,31 2.89,32 3.667,33 3.909,34 2.817,35 2.8,36 4.922,37 2.754,38 3.637,39 3.919,40 2.692,41 2.655,42 4.957,43 2.584,44 3.466,45 3.761,46 2.47,47 2.461,48 4.705,49 2.402,50 3.248,51 3.525,52 2.23,53 2.268,54 4.513,55 2.205,56 0.125,57 0.41,58 5.188,59 1.219,60 19.424,61 2.158,62 0.159,63 0.524,64 7.303,65 2.27,66 24.719,67 3.636,68 0.306,69 0.531,70 10.187,71 2.146,72 41.416,73 3.816,74 0.228,75 0.457,76 10.665,77 2.278,78 27.947,79 4.314,80 0.148,81 0.395,82 8.144,83 1.767,84 20.967,85 3.456,86 0.22,87 0.328,88 8.707,89 1.942,90 31.623,91 3.513,92 0.198,93 0.269,94 7.557,95 1.327,96 23.621,97 2.68,98 0.125,99 0.216,100 5.779,101 0.962,102 20.387,103 2.111,104 24,105 19,106 0.312,107 0.691,108 0.811,109 0.894,110 0.909,111 0.909,112 2.791,113 0.808,114 -1.04,115 -1.14,116 -1.23,117 30.8,126 3,129 2,134 1,137 1,138 1,141 2,142 2,143 2,147 1,150 2,152 2,155 4,158 3,159 1,164 1,165 2,166 2,167 4,169 2,172 1,175 1,177 1,179 3,182 1,186 1,190 3,193 1,196 2,197 4,199 3,202 1,208 2,209 2,210 1,212 1,218 2,222 1,228 4,231 4,234 1,235 240,236 9.621,237 9.621,238 9.621,239 9.621,240 9.621,241 8.364,242 8.316,243 5.914,244 9.872,245 7.401,246 7.401,247 7.401,248 7.401,249 7.401,250 5.512,251 7.478,252 2.815,253 7.799,254 3.143,255 1.245,256 0.644,257 0.231,258 0.154,259 0.154,260 3.41,262 1,263 1,264 210,265 3.162,267 53.256,269 1.218,270 15.948,272 0.75,273 0.83,274 0.83,275 0.5,277 0.83,278 1,279 0.68,280 33.5,281 109,282 4.204,283 2.968,284 5.975,285 3.775,286 2.817,287 3.812,288 1.072,289 8.464,290 2.695,291 3.707,292 2.754,293 5.241,294 3.284,295 2.329,296 3.026,297 0.6,298 6.534,299 2.227,300 3.531,301 2.467,302 4.649,303 3.094,304 2.172,305 2.716,307 5.152,308 1.997,309 2.952,310 1.751,311 3.789,312 2.383,313 1.414,314 2.048,316 3.112,317 1.367,318 2.572,319 1.326,320 3.437,321 1.949,322 1,323 1.476,324 2.325,325 0.946,326 2.528,327 1.103,328 3.224,329 1.94,330 1,331 1.443,332 2.139,333 0.937,334 1.21,335 0.196,336 2.385,337 0.857,338 -0.105,339 -0.127,340 -0.245,341 -0.1,342 0.795,343 -0.353,344 2,345 0.248,346 -0.708,347 -0.941,349 -1.656,350 -0.675,351 0.649,352 -0.373,353 1.721,354 0.096,355 -0.858,356 -1.116,358 -2,359 -0.817,360 0.411,361 -0.58,362 1.423,363 -0.1,364 -1,365 -1.425,367 -2,368 -0.9,369 0.391,370 -0.766,371 1.247,372 -0.1,373 -1,374 -1.442,376 -2.348,377 -0.9,378 -0.236,379 -1.257,380 1,381 -0.456,382 -1.414,383 -1.778,385 -3.75,386 -1.351,387 -0.5,388 -1.567,389 1,390 -0.758,391 -1.721,392 -2.181,393 -0.4,394 -4.674,395 -1.657,396 -0.539,397 -1.769,398 0.49,399 -0.969,400 -1.926,401 -2.511,402 -0.6,403 -5.244,404 -1.818,405 -0.675,406 -2,407 0.418,408 -1.042,409 -2,410 -3,411 -0.672,412 -5.808,413 -1.953,414 6.8,415 0.453,416 0.408,417 0.027,418 20,419 1.333,420 10.5,421 0.7,422 9.5,423 0.633,424 7.527,425 0.502,426 16.6,427 0.638,428 13.525,429 0.902,430 4.479,431 0.299,432 2.613,433 0.174,434 0.235,435 0.294,436 1.277,437 1.238,438 0.889,439 0.832,440 1.371,441 0.779,442 0.607,443 1.336,444 0.761,445 1.284,446 0.446,447 1.083,448 1.177,449 0.798,450 1.175,451 0.909,452 1.133,453 1.027,454 0.995,455 1.04,456 0.924,457 0.95,458 0.775,459 0.924,460 1.078,461 1.534,462 1.074,463 1.394,464 1.018,465 1.251,466 0.717,467 0.894,468 0.938,469 1.079,470 0.783,471 1.061,472 1.106,473 0.788,474 1.026,475 0.797,476 0.99,477 0.883,478 1.281,479 1.281,480 1.165,481 1.156,482 1.412,483 1.136,484 3.5,486 1.333,487 0.75,488 0.502,489 0.438,490 0.183,491 0.128,492 0.14,494 1501,495 5735,496 1.852,497 42.3,499 3,501 1,502 7,506 1.526,507 1.698,508 2.911,509 5.523,514 40.506,515 1.558,516 3.456,517 4.056,518 4.47,519 4.547,520 4.547,521 2.289,522 3.19,523 3.876,524 3.039,525 319.143,526 6.475,527 2719.41,529 1,531 122.211,532 1.53,533 3.806,534 0.233,536 0.07,537 0.044,538 0.036,539 0.036,540 0.018,541 0.016,542 0.023,544 0.478,545 0.33,546 1,547 1.938,548 60.062,549 -0.333,550 0.069,551 -0.074,552 0.228,553 -0.457,554 0.147,555 0.232,556 -0.083,557 0.07,558 -0.163,559 0.27,560 -0.093,561 -0.128,562 0.286,563 -0.262,564 0.018,565 -0.162,566 -0.134,567 -0.101,568 -0.112,569 0.046,570 0.049,571 -0.034,572 0.078,573 -0.207,574 -0.511,575 -0.159,576 -0.369,577 -0.165,578 -0.266,579 0.241,580 -0.007,581 0.056,582 -0.132,583 0.148,584 -0.087,585 -0.074,586 0.051,587 -0.007,588 0.086,589 -0.063,590 0.058,591 -0.304,592 -0.402,593 -0.18,594 -0.24,595 -0.26,596 -0.188,597 1.922,598 2.178,599 0.4,600 9.867,601 1.018,602 1.166,603 -0.191,604 0.037,605 0.637,606 2.773,607 2.996,608 3.045,609 3.135,610 3.258,611 3.135,612 3.045,613 2.773,614 2.639,615 2.197,616 4.606,617 0.623,618 205.26,619 2.773,620 4.234,621 4.99,622 5.802,623 6.586,624 7.402,625 8.198,626 9.015,627 9.818,628 10.637,629 26.9,630 2,631 1,636 3,637 1,639 3,640 1,641 2,643 6,647 26,648 9,650 15,651 26,652 8,653 5,656 2,657 1,658 1,659 1,660 1,664 8,666 3,667 2,669 1,670 1,671 2,673 1,674 11,675 7,676 7,677 7,680 7,681 1,682 1,686 1,689 1,694 2,700 1,703 15,704 2,707 1,716 8.833,717 4.15,718 3.444,719 1.106,720 1.826,721 1.345,722 0.948,723 3.768,724 7.119,725 3.091,726 3.57,727 3.956,728 4.426,729 4.889,730 4.981,731 5.198,732 5.073,733 5.154,734 5.03,735 0.8,736 17,737 5.381,738 -0.001,739 2.096,740 8.244,741 9.608,743 6.868,744 -0.001,745 2.744,746 41.167,747 0.001,748 47.084,749 47.217,750 180.475,753 47.217,754 47.084,755 180.475,757 65.794,758 46.317,759 39.932,760 85.52,761 1.899,762 35.313,763 47.084,764 227.692,767 47.084,770 169.203,771 32.656,772 25.833,774 47.084,775 180.475,776 47.217,777 47.084,778 9.741,779 37.476,780 17.888,781 162.587,782 47.084,783 180.475,784 47.217,785 0.564,786 0.284,787 0.132,788 0.073,789 7,790 4,791 0.154,792 4,794 1,795 2.713,796 83.95,798 6,799 58.603,801 11.141,802 5.072,803 3.745,805 180.475,806 5.023,807 4.019,808 0.901,810 147.027,811 274.776,812 21,813 14.027,815 1.383,816 3.643,817 -0.362,818 26.48,819 30.319,820 0.331,821 0.735,822 0.863,823 0.951,824 0.967,825 0.967,826 4.256,827 -0.708,828 4.949,829 -0.245,830 3.664,831 4.248,832 1.247,833 5.617,834 3.564,835 5.443,836 -0.858,837 6.431,838 -1.656,839 3.219,840 3.951,841 0.623,842 6.304,843 3.046,844 6.711,845 -1,846 8.012,847 -2,848 5.118,849 6.294,850 1.032,851 9.254,852 4.925,853 8.008,854 -1,855 9.648,856 -2,857 5.398,858 6.724,859 0.819,860 10.729,861 5.13,862 9.33,863 -1.414,864 11.319,865 -2.348,866 6.832,867 8.607,868 0.995,869 13.196,870 6.548,871 10.67,872 -1.721,873 13.014,874 -3.75,875 7.46,876 9.406,877 0.94,878 15.018,879 7.111,880 12.024,881 -1.926,882 14.727,883 -4.674,884 8.681,885 11.062,886 1.036,887 17.29,888 8.308,889 2.817,890 -2,891 16.453,892 -5.244,893 9.492,894 12.073,895 1.043,896 19.277,897 9.064,898 2.329,899 8.464,900 18.189,901 -5.808,902 10.61,903 13.602,904 1.109,905 21.468,906 10.152,907 2.172,908 6.534,909 19.934,910 3.812,911 11.522,912 14.74,913 1.141,914 23.533,915 11.013,916 1.414,917 5.152,918 21.685,919 3.026,920 12.59,921 16.194,922 1.197,923 25.69,924 12.048,925 1,926 3.112,927 23.441,928 2.716,929 13.557,930 17.409,931 1.24,932 27.791,933 12.967,934 1,935 2.325,936 25.202,937 2.048,938 14.604,939 18.818,940 1.293,941 29.935,942 13.976,943 -0.105,944 2.139,945 26.967,946 1.476,947 15.601,948 20.081,949 1.342,950 32.053,951 14.927,952 1668,953 3324,954 9.246,955 16.563,956 22.189,957 21.618,958 22.232,959 21.489,960 21.465,961 29.042,962 3.344,963 55.451,964 20.341,965 4.879,966 4.968,967 5.557,968 4.816,969 4.817,970 6.812,971 1.744,972 14.272,973 4.648,974 9.088,975 1.479,976 1.441,977 1.482,978 1.433,979 1.431,980 1.936,981 0.223,982 3.697,983 1.356,984 3.915,985 3.96,986 3.871,987 3.8,988 5.891,989 3.811,990 3.563,991 3.663,992 3.495,993 3.261,994 5.879,995 3.307,996 3.371,997 3.461,998 3.282,999 3.121,1000 4.908,1001 3.155,1002 3.129,1003 3.221,1004 3.017,1005 2.897,1006 4.799,1007 2.917,1008 2.619,1009 2.741,1010 2.457,1011 2.366,1012 4.774,1013 2.373,1014 2.586,1015 2.719,1016 2.441,1017 2.217,1018 4.499,1019 2.266,1020 2.426,1021 2.588,1022 2.133,1023 1.93,1024 3.802,1025 1.952,1026 2.396,1027 2.556,1028 2.111,1029 1.889,1030 3.525,1031 1.916,1032 0.28,1033 0.198,1034 0.398,1035 0.252,1036 0.188,1037 4.204,1038 0.254,1039 2.968,1040 0.071,1041 5.975,1042 0.564,1043 3.775,1044 0.18,1045 2.817,1046 3.812,1047 1.072,1048 8.464,1049 2.695,1050 1.86,1051 1.824,1052 1.953,1053 1.999,1054 0.977,1055 1.986,1056 1.42,1057 1.333,1058 1.572,1059 1.767,1060 0.395,1061 1.72,1062 1.274,1063 1.193,1064 1.461,1065 1.574,1066 0.178,1067 1.552,1068 1.061,1069 0.98,1070 1.289,1071 1.345,1072 0.061,1073 1.335,1074 0.584,1075 0.48,1076 0.946,1077 0.939,1079 0.951,1080 0.472,1081 0.337,1082 0.881,1083 0.915,1085 0.92,1086 0.336,1087 0.156,1088 0.795,1089 0.784,1091 0.799,1092 0.285,1093 0.11,1094 0.671,1095 0.735,1097 0.727,1098 3.434,1099 4.673,1101 6.084,1103 7.578,1105 9.118,1107 10.285,1110 2.248,1114 16.203,1115 40.506,1116 89.847,1117 105.457,1118 116.211,1119 118.211,1120 118.211,1121 22.264,1122 5.293,1123 137.02,1124 137.02,1125 6,1126 11.223,1127 3.322,1128 2.807,1129 31.317,1130 40,1131 37,1132 0.391,1133 110.111,1134 184.86,1135 260.432,1136 959,1137 11.259,1138 0.751,1139 0.524,1140 11.259,1141 7.859,1142 7.092,1143 0.473,1144 0.269,1145 3.956,1146 6.73,1147 3.887,1148 3.294,1149 7.092,1150 4.039,1151 6.361,1152 0.335,1153 0.139,1154 6.361,1155 2.645,1156 4.16,1157 0.208,1158 0.071,1159 4.16,1160 1.428,1161 3.015,1162 0.137,1163 0.038,1164 3.015,1165 0.841,1166 2.265,1167 0.091,1168 0.02,1169 2.265,1170 0.502,1171 0.607,1172 45.07,1173 0.329,1174 15.529,1175 1.071,1176 68,1177 232.913,1178 77.492,1179 237.195,1180 312.6,1181 216,1182 73,1183 228.86,1184 81.382,1185 233.808,1186 325.61,1187 217,1188 7.046}
{0 CHEMBL149797,1 1.52,2 12.808,3 1.155,4 1.333,5 102.932,6 7.766,7 0.444,8 3.9,9 4.061,10 3.464,11 3.379,12 5.223,13 3.381,14 4.261,15 4.431,16 3.741,17 3.707,18 5.584,19 3.676,20 4.515,21 4.726,22 3.766,23 3.805,24 5.798,25 3.749,26 4.585,27 4.85,28 3.64,29 3.705,30 5.749,31 3.629,32 4.459,33 4.722,34 3.541,35 3.557,36 5.64,37 3.495,38 4.378,39 4.653,40 3.443,41 3.437,42 5.61,43 3.372,44 4.266,45 4.541,46 3.383,47 3.332,48 5.487,49 3.287,50 4.179,51 4.445,52 3.315,53 3.275,54 5.39,55 3.244,56 0.153,57 0.743,58 8.813,59 2.981,60 23.089,61 4.228,62 0.191,63 1.028,64 12.857,65 5.174,66 31.178,67 7.196,68 0.285,69 1.185,70 18.168,71 5.897,72 43.598,73 8.782,74 0.304,75 1.118,76 21.996,77 5.906,78 52.367,79 9.641,80 0.248,81 0.989,82 19.265,83 4.835,84 41.793,85 8.137,86 0.33,87 0.889,88 18.206,89 4.47,90 53.825,91 7.442,92 0.335,93 0.806,94 16.325,95 3.657,96 42.766,97 6.206,98 0.252,99 0.756,100 14.694,101 2.991,102 39.105,103 5.31,104 30,105 35,106 0.261,107 0.56,108 0.68,109 0.751,110 0.766,111 0.766,112 3.302,113 0.835,114 -4.2,115 -4.14,116 -3.92,117 37.8,126 8,127 4,134 2,137 2,138 1,141 2,142 2,143 2,147 2,150 12,152 2,155 5,156 4,158 2,159 12,161 2,165 4,167 4,169 10,171 6,172 4,174 1,175 4,179 12,182 4,186 2,190 12,193 2,195 2,196 2,197 4,199 10,204 4,208 4,209 8,210 2,214 4,218 4,221 1,224 2,228 8,231 4,232 4,235 1096,236 17.121,237 17.121,238 17.121,239 17.121,240 17.121,241 14.865,242 13.759,243 10.387,244 17.395,245 13.318,246 13.318,247 13.318,248 13.318,249 13.318,250 9.881,251 12.225,252 4.924,253 13.739,254 3.972,255 2.228,256 1.528,257 1.111,258 1.022,259 1.022,260 3.967,262 1,263 1,264 683,265 4.123,267 207.954,269 2.083,270 24.349,272 0.75,273 0.67,274 0.83,275 0.5,277 0.67,278 0.5,279 0.56,280 56.5,281 333,282 4.205,283 2.973,284 5.975,285 3.804,286 2.818,287 3.813,288 1.072,289 8.464,290 2.779,291 4.203,292 2.966,293 5.975,294 3.803,295 2.816,296 3.812,297 0.6,298 8.464,299 2.778,300 3.755,301 2.866,302 5.249,303 3.352,304 2.412,305 3.049,306 0.6,307 6.56,308 2.283,309 3.683,310 2.505,311 5.239,312 3.274,313 2.295,314 3.012,316 6.529,317 2.244,318 3.591,319 2.458,320 5.019,321 3.189,322 2.232,323 2.817,324 6.04,325 2.114,326 2.992,327 1.806,328 3.807,329 2.433,330 1.466,331 2.092,332 3.188,333 1.415,334 2.934,335 1.718,336 3.788,337 2.372,338 1.4,339 2.03,340 3.102,341 1.36,342 2.626,343 1.37,344 3.483,345 2.132,346 1.158,347 1.569,349 2.579,350 1.126,351 2.539,352 1.288,353 3.437,354 1.971,355 1,356 1.475,358 2.324,359 0.969,360 2.529,361 1.107,362 3.432,363 1.971,364 1,365 1.475,367 2.322,368 0.968,369 2.518,370 1.099,371 3.171,372 1.828,373 0.88,374 1.343,376 1.92,377 0.832,378 1.255,379 0.282,380 2.66,381 0.966,387 1.176,388 0.122,389 2.227,390 0.739,391 -0.24,392 -0.303,394 -0.549,395 -0.234,396 0.8,397 -0.353,398 2,399 0.28,400 -0.699,401 -0.937,403 -1.644,404 -0.683,405 0.786,406 -0.354,407 2,408 0.255,409 -0.725,410 -0.971,412 -1.686,413 -0.706,414 12.1,415 0.465,416 0.634,417 0.024,418 35.25,419 1.356,420 19.5,421 0.75,422 15.75,423 0.606,424 16.152,425 0.621,426 27.5,427 0.611,428 27.968,429 1.076,430 7.749,431 0.298,432 4.704,433 0.181,434 0.165,435 0.289,436 1.134,437 0.963,438 0.868,439 0.78,440 1.247,441 0.776,442 0.595,443 1.058,444 0.845,445 1.123,446 0.506,447 1.044,448 0.981,449 1.136,450 1.112,451 1.201,452 0.983,453 1.183,454 1.084,455 1.17,456 1.001,457 1.063,458 0.979,459 1.024,460 1.187,461 1.33,462 1.004,463 1.111,464 0.978,465 1.038,466 1.081,467 1.061,468 0.998,469 0.992,470 0.966,471 0.982,472 1.243,473 0.942,474 0.995,475 0.821,476 1.021,477 0.856,478 1.587,479 1.136,480 1.061,481 0.813,482 1.28,483 0.837,484 5.5,485 0.074,486 2.444,487 1.375,488 0.924,489 0.819,490 0.325,491 0.226,492 0.254,493 0.131,494 8939,495 27776,496 1.952,497 42.2,499 8,501 2,502 9,506 1.682,507 1.814,508 3.649,509 6.364,510 1,511 1,514 68.407,515 1.52,516 3.264,517 3.964,518 4.381,519 4.47,520 4.47,521 3.056,522 3.47,523 4.677,524 3.865,525 1256.08,526 8.052,527 17496.7,529 1,531 247.133,532 1.448,533 4.62,534 0.204,535 0.005,536 0.07,537 0.04,538 0.032,539 0.032,540 0.014,541 0.01,542 0.012,543 0.007,544 0.425,545 0.17,546 0.88,547 0.923,548 132.666,549 -0.161,550 0.287,551 -0.04,552 0.239,553 -0.337,554 0.14,555 0.199,556 0.126,557 -0.014,558 -0.043,559 0.173,560 -0.063,561 -0.048,562 -0.045,563 -0.21,564 -0.195,565 -0.082,566 -0.226,567 -0.099,568 -0.229,569 -0.004,570 -0.095,571 -0.084,572 -0.042,573 -0.151,574 -0.383,575 -0.003,576 -0.165,577 -0.065,578 -0.074,579 0.036,580 -0.127,581 0.026,582 -0.078,583 0.024,584 -0.036,585 -0.028,586 0.011,587 0.038,588 0.058,589 -0.041,590 0.059,591 -0.36,592 -0.159,593 -0.042,594 0.061,595 -0.211,596 0.067,597 1.789,598 2.683,599 0.462,600 26.012,601 1.007,602 1.146,603 2.971,604 8.828,605 0.664,606 3.332,607 3.584,608 3.714,609 3.829,610 3.97,611 3.871,612 3.85,613 3.689,614 3.714,615 3.664,616 7.879,617 0.641,618 349.45,619 3.332,620 4.828,621 5.617,622 6.441,623 7.246,624 8.071,625 8.882,626 9.706,627 10.52,628 11.343,629 20,630 2,631 2,636 5,639 8,641 4,643 12,647 45,648 17,649 2,650 27,651 46,652 17,653 12,654 4,655 8,656 4,657 2,658 2,659 2,660 1,664 17,666 5,667 3,669 2,670 2,671 3,672 1,673 1,674 19,675 9,676 9,677 9,680 9,681 2,682 1,689 2,694 2,700 2,703 26,704 2,707 2,716 14.333,717 7.4,718 5.889,719 2.115,720 3.417,721 1.516,722 0.978,723 6.739,724 10.034,725 3.664,726 4.174,727 4.64,728 5.119,729 5.593,730 5.698,731 5.943,732 5.898,733 6.09,734 6.247,735 1,736 34,737 9.42,739 3.794,740 8.026,741 17.254,743 13.018,745 2.526,746 65.667,748 117.711,749 113.202,750 229.913,753 113.202,754 117.711,755 229.913,757 65.794,758 111.586,759 46.293,760 141.084,761 1.899,762 94.169,763 117.711,764 343.115,767 117.711,770 229.913,771 95.107,772 18.095,774 117.711,775 229.913,776 113.202,777 117.711,778 19.297,779 93.905,780 35.776,781 194.136,782 117.711,783 229.913,784 113.202,785 0.57,786 0.311,787 0.149,788 0.081,789 13,790 7,791 0.174,792 8,794 1,795 3.919,796 187.343,798 12,799 98.211,801 18.993,802 9.225,803 6.245,805 229.913,806 14.014,808 2.671,810 196.587,811 460.826,812 38,813 22.483,815 3.005,816 7.826,817 -0.167,818 45.334,819 51.561,820 0.277,821 0.594,822 0.722,823 0.798,824 0.814,825 0.814,826 4.852,827 1.158,828 5.572,829 3.102,830 4.263,831 4.86,832 1.435,833 6.267,834 4.206,835 6.044,836 1,837 7.069,838 2.579,839 3.761,840 4.511,841 0.623,842 6.963,843 3.666,844 7.317,845 1,846 8.662,847 2.324,848 5.753,849 6.939,850 1.121,851 9.947,852 5.655,853 8.621,854 0.88,855 10.31,856 2.322,857 6.019,858 7.355,859 0.819,860 11.43,861 5.888,862 9.951,864 11.991,865 1.92,866 7.492,867 9.273,868 1.029,869 13.903,870 7.36,871 11.299,872 -0.24,873 13.696,875 8.12,876 10.071,877 0.94,878 15.725,879 7.964,880 12.662,881 -0.699,882 15.416,883 -0.549,884 9.359,885 11.742,886 1.047,887 17.998,888 9.199,889 2.818,890 -0.725,891 17.148,892 -1.644,893 10.174,894 12.754,895 1.043,896 19.982,897 9.997,898 2.816,899 8.464,900 18.889,901 -1.686,902 11.301,903 14.289,904 1.113,905 22.172,906 11.118,907 2.412,908 8.464,909 20.636,910 3.813,911 12.215,912 15.429,913 1.141,914 24.234,915 12.019,916 2.295,917 6.56,918 22.389,919 3.812,920 13.289,921 16.885,922 1.198,923 26.39,924 13.085,925 2.232,926 6.529,927 24.147,928 3.049,929 14.257,930 18.101,931 1.24,932 28.489,933 14.041,934 1.466,935 6.04,936 25.908,937 3.012,938 15.306,939 19.511,940 1.294,941 30.632,942 15.082,943 1.4,944 3.188,945 27.673,946 2.817,947 16.303,948 20.774,949 1.342,950 32.75,951 16.067,952 8959,953 15908,954 17.394,955 29.858,956 40.187,957 39.456,958 40.249,959 38.989,960 38.956,961 52.973,962 4.544,963 102.982,964 37.738,965 5.002,966 4.973,967 5.575,968 4.829,969 4.818,970 6.813,971 1.744,972 14.274,973 4.779,974 15.33,975 1.488,976 1.461,977 1.491,978 1.444,979 1.443,980 1.962,981 0.168,982 3.814,983 1.398,984 3.964,985 3.999,986 3.909,987 3.894,988 5.885,989 3.893,990 3.926,991 3.956,992 3.873,993 3.865,994 5.875,995 3.863,996 3.596,997 3.69,998 3.541,999 3.295,1000 5.837,1001 3.346,1002 3.414,1003 3.499,1004 3.341,1005 3.194,1006 4.846,1007 3.22,1008 3.356,1009 3.447,1010 3.267,1011 3.111,1012 4.818,1013 3.143,1014 3.201,1015 3.293,1016 3.098,1017 2.972,1018 4.775,1019 2.988,1020 3.048,1021 3.123,1022 2.939,1023 2.876,1024 4.763,1025 2.882,1026 2.732,1027 2.822,1028 2.575,1029 2.516,1030 4.502,1031 2.524,1032 0.156,1033 0.11,1034 0.221,1035 0.141,1036 0.104,1037 4.205,1038 0.141,1039 2.973,1040 0.04,1041 5.975,1042 0.313,1043 3.804,1044 0.103,1045 2.818,1046 3.813,1047 1.072,1048 8.464,1049 2.779,1050 1.925,1051 1.899,1052 2.023,1053 2.019,1054 1.107,1055 2.021,1056 1.922,1057 1.897,1058 2.021,1059 2.008,1060 1.107,1061 2.014,1062 1.449,1063 1.364,1064 1.574,1065 1.784,1066 0.423,1067 1.733,1068 1.323,1069 1.255,1070 1.484,1071 1.605,1072 0.379,1073 1.578,1074 1.259,1075 1.18,1076 1.446,1077 1.56,1078 0.264,1079 1.538,1080 1.128,1081 1.051,1082 1.342,1083 1.41,1084 0.259,1085 1.392,1086 1.015,1087 0.949,1088 1.234,1089 1.234,1090 0.181,1091 1.239,1092 0.715,1093 0.622,1094 1.039,1095 0.976,1097 1.005,1098 4.007,1099 5.273,1101 6.713,1103 8.231,1105 9.79,1107 10.865,1110 4.969,1114 28.827,1115 68.407,1116 146.895,1117 178.379,1118 197.133,1119 201.133,1120 201.133,1121 52.246,1122 6.617,1123 172.37,1124 172.37,1125 12,1126 11.923,1127 4.17,1128 3.585,1129 55.598,1130 125,1131 92,1132 0.211,1133 188.001,1134 326.1,1135 450.482,1136 6887,1137 18.941,1138 0.728,1139 0.532,1140 18.941,1141 13.823,1142 12.452,1143 0.461,1144 0.278,1145 7.403,1146 11.981,1147 7.248,1148 6.117,1149 12.452,1150 7.511,1151 11.04,1152 0.315,1153 0.148,1154 11.04,1155 5.193,1156 8.151,1157 0.204,1158 0.079,1159 8.151,1160 3.175,1161 6.055,1162 0.135,1163 0.043,1164 6.055,1165 1.941,1166 4.664,1167 0.09,1168 0.023,1169 4.664,1170 1.202,1171 0.349,1172 78.066,1173 0.24,1174 26.127,1175 0.529,1176 124,1177 371.579,1178 135.629,1179 381.695,1180 511.26,1181 350,1182 137,1183 377.269,1184 147.769,1185 389.227,1186 544.72,1187 362,1188 7.215}
{0 CHEMBL149976,1 1.557,2 8,3 -0.733,4 0.538,5 60.771,6 7.867,7 0.375,8 3.449,9 3.636,10 3.004,11 2.785,12 4.849,13 2.825,14 3.767,15 3.968,16 3.243,17 3.052,18 5.13,19 3.059,20 3.94,21 4.174,22 3.248,23 3.1,24 5.349,25 3.09,26 3.955,27 4.225,28 3.033,29 3.016,30 5.187,31 2.973,32 3.847,33 4.124,34 2.893,35 2.893,36 5.011,37 2.834,38 3.696,39 3.969,40 2.779,41 2.729,42 4.971,43 2.667,44 3.588,45 3.882,46 2.664,47 2.578,48 4.799,49 2.532,50 3.416,51 3.682,52 2.478,53 2.441,54 4.662,55 2.408,56 0.159,57 0.427,58 5.773,59 1.213,60 21.423,61 2.313,62 0.193,63 0.538,64 8.231,65 2.222,66 22.766,67 3.852,68 0.33,69 0.545,70 10.555,71 2.301,72 36.865,73 4.115,74 0.304,75 0.474,76 11.708,77 2.01,78 36.162,79 4.287,80 0.218,81 0.405,82 10.684,83 1.959,84 25.637,85 4.257,86 0.235,87 0.336,88 9.053,89 1.908,90 30.673,91 3.63,92 0.229,93 0.292,94 8.553,95 1.478,96 24.167,97 3.095,98 0.163,99 0.252,100 6.688,101 0.839,102 20.442,103 2.261,104 25,105 20,106 0.306,107 0.675,108 0.827,109 0.889,110 0.903,111 0.903,112 2.849,113 0.801,114 -1.1,115 -1.2,116 -1.28,117 28.6,126 3,129 2,134 1,137 1,138 1,141 3,142 3,143 3,146 1,147 2,150 2,152 2,153 1,154 2,155 2,158 2,159 1,164 2,165 2,166 2,167 3,168 2,169 2,170 3,172 1,173 1,175 1,176 1,177 2,179 3,182 1,186 1,190 3,193 1,194 1,195 1,196 2,197 3,199 2,202 1,204 1,206 1,207 1,208 2,209 2,210 1,212 2,214 1,218 2,222 2,226 1,227 2,228 2,229 1,231 3,233 1,234 1,235 288,236 10.491,237 10.491,238 10.491,239 10.491,240 10.491,241 8.941,242 9.37,243 6.383,244 10.779,245 7.811,246 7.811,247 7.811,248 7.811,249 7.811,250 5.781,251 8.656,252 2.947,253 8.231,254 3.251,255 1.372,256 0.598,257 0.286,258 0.214,259 0.214,260 3.474,263 1,264 248,265 3.317,267 58.128,269 1.25,270 15.096,272 0.75,273 0.83,274 0.83,275 0.5,277 0.67,278 0.5,279 0.58,280 36,281 128,282 4.204,283 2.97,284 5.975,285 3.775,286 2.817,287 3.812,288 1.072,289 8.464,290 2.695,291 3.76,292 2.871,293 5.243,294 3.313,295 2.375,296 3.054,297 0.6,298 6.541,299 2.239,300 3.641,301 2.482,302 4.98,303 3.189,304 2.247,305 2.925,307 5.867,308 2.1,309 2.967,310 1.768,311 3.795,312 2.395,313 1.427,314 2.065,316 3.128,317 1.379,318 2.598,319 1.348,320 3.439,321 2.028,322 1.07,323 1.503,324 2.329,325 1.022,326 2.529,327 1.106,328 3.338,329 1.941,330 1,331 1.473,332 2.274,333 0.939,334 1.549,335 0.614,336 2.649,337 1.295,338 0.334,339 0.375,340 0.485,341 0.32,342 0.969,343 -0.012,344 2,345 0.778,346 -0.19,347 -0.214,349 -0.397,350 -0.183,351 0.746,352 -0.354,353 2,354 0.242,355 -0.714,356 -0.941,358 -1.665,359 -0.68,360 0.596,361 -0.58,362 1.598,363 0.089,364 -0.863,365 -1.121,367 -2,368 -0.82,369 0.409,370 -0.765,371 1.397,372 -0.1,373 -1,374 -1.43,376 -2.336,377 -0.9,379 -0.922,380 1.217,381 -0.378,382 -1.315,383 -1.608,385 -2.86,386 -1.23,387 -0.242,388 -1.284,389 1,390 -0.568,391 -1.517,392 -2.111,394 -4.042,395 -1.439,396 -0.5,397 -1.572,398 0.522,399 -0.773,400 -1.734,401 -2.249,402 -0.4,403 -4.734,404 -1.663,405 -0.542,406 -1.77,407 0.452,408 -0.982,409 -1.938,410 -2.533,411 -0.6,412 -5.244,413 -1.827,414 7.2,415 0.45,416 0.37,417 0.023,418 20.5,419 1.281,420 10.5,421 0.656,422 10,423 0.625,424 8.925,425 0.558,426 18,427 0.643,428 14.003,429 0.875,430 4.691,431 0.293,432 2.939,433 0.184,434 0.222,435 0.278,436 1.238,437 1.195,438 0.898,439 0.821,440 1.405,441 0.782,442 0.709,443 1.326,444 0.77,445 1.216,446 0.547,447 1.027,448 0.974,449 0.845,450 1.085,451 1.009,452 0.891,453 1.067,454 1.215,455 1.016,456 1.118,457 0.964,458 1.121,459 1.012,460 1.002,461 1.347,462 0.939,463 1.175,464 0.894,465 1.055,466 0.769,467 1.005,468 0.983,469 1.178,470 0.906,471 1.136,472 0.906,473 0.849,474 0.878,475 0.834,476 0.713,477 0.848,478 1.456,479 1.384,480 1.234,481 1.154,482 1.385,483 1.143,484 3.5,486 1.556,487 0.75,488 0.502,489 0.438,490 0.183,491 0.128,492 0.152,493 0.056,494 1842,495 7030,496 1.861,497 42.9,499 3,501 1,502 8,506 1.545,507 1.714,508 3.033,509 6.534,514 43.586,515 1.557,516 3.436,517 4.209,518 4.522,519 4.593,520 4.593,521 2.483,522 3.578,523 3.97,524 3.152,525 378.186,526 6.66,527 3410,531 134.606,532 1.5,533 3.906,534 0.219,536 0.078,537 0.039,538 0.033,539 0.034,540 0.017,541 0.013,542 0.019,543 0.009,544 0.461,545 0.33,546 1,547 2.125,548 66.214,549 -0.271,550 0.142,551 -0.068,552 0.251,553 -0.434,554 0.15,555 0.142,556 -0.056,557 0.078,558 -0.071,559 0.159,560 -0.017,561 0.039,562 0.297,563 -0.185,564 -0.032,565 0.024,566 -0.15,567 -0.244,568 -0.044,569 -0.162,570 -0.009,571 -0.209,572 -0.06,573 -0.132,574 -0.417,575 0.027,576 -0.153,577 -0.052,578 -0.037,579 0.164,580 -0.056,581 -0.017,582 -0.197,583 0.04,584 -0.154,585 0.085,586 0.004,587 0.133,588 0.082,589 0.116,590 0.115,591 -0.441,592 -0.439,593 -0.274,594 -0.251,595 -0.347,596 -0.226,597 1.772,598 2.207,599 0.375,600 11,601 1.021,602 1.172,603 -0.128,604 0.016,605 0.627,606 2.833,607 3.045,608 3.135,609 3.178,610 3.296,611 3.178,612 3.135,613 2.89,614 2.833,615 2.565,616 4.93,617 0.615,618 220.28,619 2.833,620 4.29,621 5.056,622 5.861,623 6.65,624 7.46,625 8.259,626 9.071,627 9.875,628 10.69,629 28.6,630 2,631 1,633 1,636 3,637 1,639 3,640 1,641 2,643 6,647 28,648 9,650 16,651 28,652 8,653 5,656 2,657 1,658 1,659 1,660 1,664 8,666 3,667 1,669 1,670 2,671 2,673 1,674 12,675 8,676 8,677 8,680 8,681 1,682 1,686 1,689 1,694 2,700 1,703 16,704 3,707 1,716 9.333,717 4.433,718 3.778,719 1.16,720 1.925,721 1.356,722 0.947,723 4.383,724 7.332,725 3.135,726 3.624,727 4.03,728 4.45,729 4.919,730 5.008,731 5.263,732 5.18,733 5.343,734 5.395,735 1,736 19,737 5.727,738 0.001,739 2.21,740 8.198,741 10.239,743 7.258,745 2.698,746 43.167,747 0.001,748 47.084,749 47.217,750 198.241,753 47.217,754 47.084,755 198.241,757 65.794,758 79.092,759 39.932,760 70.511,761 1.899,762 35.313,763 47.084,764 245.457,767 47.084,770 154.194,771 65.43,772 25.833,774 47.084,775 198.241,776 47.217,777 47.084,778 9.741,779 37.476,780 17.888,781 180.353,782 47.084,783 198.241,784 47.217,785 0.559,786 0.306,787 0.132,788 0.07,789 7,790 4,791 0.143,792 4,794 1,795 2.829,796 91.678,798 6,799 64,801 12.097,802 5.798,803 3.976,805 198.241,806 5.043,807 4.044,808 0.912,810 148.129,811 292.542,812 22,813 7.207,815 1.407,816 6.889,817 -0.12,818 28.582,819 32.817,820 0.324,821 0.715,822 0.876,823 0.941,824 0.955,825 0.955,826 4.297,827 -0.19,828 5.004,829 0.485,830 3.714,831 4.304,832 1.247,833 5.673,834 3.614,835 5.486,836 -0.714,837 6.491,838 -0.397,839 3.219,840 3.951,841 0.623,842 6.368,843 3.046,844 6.757,845 -0.863,846 8.075,847 -1.665,848 5.176,849 6.365,850 1.032,851 9.313,852 4.978,853 8.061,854 -1,855 9.714,856 -2,857 5.442,858 6.771,859 0.819,860 10.788,861 5.168,862 9.388,863 -1.315,864 11.386,865 -2.336,866 6.891,867 8.674,868 0.995,869 13.242,870 6.596,871 10.733,872 -1.517,873 13.081,874 -2.86,875 7.515,876 9.46,877 0.94,878 15.057,879 7.154,880 12.091,881 -1.734,882 14.792,883 -4.042,884 8.736,885 11.117,886 1.036,887 17.321,888 8.35,889 2.817,890 -1.938,891 16.516,892 -4.734,893 9.545,894 12.119,895 1.043,896 19.3,897 9.101,898 2.375,899 8.464,900 18.248,901 -5.244,902 10.66,903 13.643,904 1.109,905 21.486,906 10.186,907 2.247,908 6.541,909 19.988,910 3.812,911 11.568,912 14.774,913 1.141,914 23.546,915 11.043,916 1.427,917 5.867,918 21.735,919 3.054,920 12.633,921 16.223,922 1.197,923 25.7,924 12.074,925 1.07,926 3.128,927 23.487,928 2.925,929 13.596,930 17.434,931 1.24,932 27.798,933 12.989,934 1,935 2.329,936 25.243,937 2.065,938 14.639,939 18.838,940 1.293,941 29.94,942 13.996,943 0.334,944 2.274,945 27.003,946 1.503,947 15.632,948 20.098,949 1.342,950 32.057,951 14.944,952 2028,953 4034,954 9.94,955 17.568,956 23.245,957 22.904,958 23.838,959 22.57,960 22.54,961 30.415,962 3.344,963 58.174,964 21.389,965 4.887,966 4.97,967 5.58,968 4.817,969 4.817,970 6.812,971 1.744,972 14.272,973 4.649,974 9.566,975 1.453,976 1.431,977 1.49,978 1.411,979 1.409,980 1.901,981 0.209,982 3.636,983 1.337,984 3.916,985 3.961,986 3.872,987 3.8,988 5.882,989 3.811,990 3.592,991 3.694,992 3.531,993 3.273,994 5.346,995 3.325,996 3.382,997 3.472,998 3.298,999 3.135,1000 4.926,1001 3.169,1002 3.157,1003 3.256,1004 3.049,1005 2.91,1006 4.868,1007 2.932,1008 2.817,1009 2.988,1010 2.585,1011 2.381,1012 4.777,1013 2.401,1014 2.619,1015 2.737,1016 2.447,1017 2.296,1018 4.503,1019 2.333,1020 2.586,1021 2.714,1022 2.424,1023 2.199,1024 3.809,1025 2.242,1026 2.398,1027 2.558,1028 2.111,1029 1.894,1030 3.609,1031 1.919,1032 0.263,1033 0.186,1034 0.373,1035 0.236,1036 0.176,1037 4.204,1038 0.238,1039 2.97,1040 0.067,1041 5.975,1042 0.529,1043 3.775,1044 0.168,1045 2.817,1046 3.812,1047 1.072,1048 8.464,1049 2.695,1050 1.86,1051 1.824,1052 1.953,1053 1.999,1054 0.977,1055 1.986,1056 1.433,1057 1.343,1058 1.576,1059 1.795,1060 0.403,1061 1.742,1062 1.283,1063 1.203,1064 1.465,1065 1.583,1066 0.217,1067 1.559,1068 1.077,1069 0.993,1070 1.302,1071 1.385,1072 0.097,1073 1.366,1074 0.691,1075 0.522,1076 1.127,1077 1.205,1079 1.199,1080 0.582,1081 0.465,1082 0.944,1083 0.925,1085 0.94,1086 0.47,1087 0.337,1088 0.845,1089 0.891,1091 0.891,1092 0.302,1093 0.12,1094 0.754,1095 0.743,1097 0.756,1098 3.497,1099 4.727,1101 6.142,1103 7.637,1105 9.175,1107 15.409,1110 2.377,1114 17.225,1115 43.586,1116 96.2,1117 117.851,1118 126.606,1119 128.606,1120 128.606,1121 24.439,1122 5.407,1123 151.55,1124 151.55,1125 6,1126 11.278,1127 3.322,1128 2.807,1129 34.756,1130 46,1131 46,1132 0.374,1133 116.906,1134 195.86,1135 277.01,1136 1137,1137 11.966,1138 0.748,1139 0.524,1140 11.966,1141 8.383,1142 7.63,1143 0.477,1144 0.267,1145 4.172,1146 7.188,1147 4.105,1148 3.487,1149 7.63,1150 4.271,1151 6.481,1152 0.324,1153 0.137,1154 6.481,1155 2.746,1156 4.772,1157 0.217,1158 0.071,1159 4.772,1160 1.562,1161 3.159,1162 0.137,1163 0.038,1164 3.159,1165 0.867,1166 2.374,1167 0.091,1168 0.02,1169 2.374,1170 0.517,1171 0.587,1172 48.921,1173 0.317,1174 16.579,1175 1.008,1176 72,1177 253.538,1178 82.546,1179 256.397,1180 339.01,1181 234,1182 78,1183 250.329,1184 87.991,1185 254.795,1186 353.59,1187 236,1188 6.174}
{0 CHEMBL150621,1 1.419,2 7.222,3 1.399,4 1.958,5 72.714,6 7.447,7 0.632,8 3.548,9 3.693,10 3.088,11 3.134,12 4.82,13 3.106,14 3.928,15 4.077,16 3.41,17 3.495,18 5.203,19 3.438,20 4.199,21 4.391,22 3.449,23 3.622,24 5.397,25 3.539,26 4.277,27 4.511,28 3.328,29 3.571,30 5.405,31 3.459,32 4.234,33 4.496,34 3.227,35 3.473,36 5.284,37 3.349,38 4.059,39 4.303,40 3.052,41 3.298,42 5.192,43 3.175,44 3.944,45 4.219,46 2.826,47 3.05,48 5.113,49 2.928,50 3.741,51 4.048,52 2.499,53 2.713,54 4.855,55 2.569,56 0.059,57 0.486,58 6.381,59 2.458,60 15.498,61 3.358,62 0.071,63 0.698,64 9.368,65 4.389,66 20.292,67 5.939,68 0.08,69 0.869,70 13.274,71 5.305,72 25.061,73 7.455,74 0.114,75 0.89,76 15.413,77 5.672,78 32.659,79 8.199,80 0.101,81 0.816,82 15.437,83 5.745,84 28.353,85 8.419,86 0.078,87 0.699,88 12.561,89 4.614,90 23.448,91 6.742,92 0.114,93 0.612,94 11.814,95 3.603,96 31.336,97 5.479,98 0.086,99 0.473,100 10.112,101 3.02,102 23.726,103 4.713,104 21,105 26,106 0.265,107 0.513,108 0.607,109 0.7,110 0.723,111 0.723,112 2.96,113 0.864,114 -4.1,115 -4.05,116 -3.83,117 43.8,126 8,127 4,137 2,141 2,142 2,143 2,150 13,155 2,156 4,158 2,159 16,161 2,169 8,171 14,172 4,179 8,181 10,182 4,190 8,192 8,193 4,199 8,201 4,202 4,209 8,211 1,212 4,218 4,222 2,228 4,231 4,234 1,235 352,236 11.776,237 11.776,238 11.776,239 11.776,240 11.776,241 10.103,242 7.025,243 6.941,244 11.875,245 9.357,246 9.357,247 9.357,248 9.357,249 9.357,250 6.82,251 7.956,252 3.253,253 9.514,254 3.581,255 2.25,256 1.75,257 1.25,258 1.125,259 1.125,260 3.612,261 1,262 1,263 1,264 264,265 2.828,267 114.488,269 1.136,270 15.587,272 0.75,273 0.83,274 0.83,275 0.5,277 0.83,278 1,279 0.68,280 38,281 130,282 4.352,283 3.047,284 6.255,285 3.972,286 2.977,287 4.017,288 0.6,289 9.447,290 2.963,291 4.109,292 2.923,293 5.936,294 3.713,295 2.732,296 3.651,297 0.6,298 8.265,299 2.679,300 3.808,301 2.645,302 5.763,303 3.443,304 2.465,305 3.155,307 7.623,308 2.409,309 3.226,310 1.914,311 4.451,312 2.709,313 1.732,314 2.481,316 4.373,317 1.691,318 2.872,319 1.557,320 3.801,321 2.353,322 1.374,323 1.985,324 3.067,325 1.344,326 2.539,327 1.175,328 3.618,329 2,330 1,331 1.5,332 2.525,333 1,334 2.53,335 1.115,336 3.437,337 1.971,338 1,339 1.475,340 2.323,341 0.969,342 2.5,343 1,344 3.433,345 1.966,346 1,347 1.47,349 2.319,350 0.963,351 0.936,352 -0.352,353 2.517,354 0.515,355 -0.483,356 -0.656,358 -1.198,359 -0.483,360 0.755,361 -0.354,362 2,363 0.258,364 -0.732,365 -0.964,367 -1.802,368 -0.724,369 0.691,370 -0.481,371 2,372 0.2,373 -0.792,374 -1.038,376 -2,377 -0.786,378 0.5,379 -0.69,380 1.718,382 -1,383 -1.427,385 -2,386 -0.9,387 0.41,388 -0.758,389 1.495,390 -0.1,391 -1,392 -1.431,394 -2.25,395 -0.9,396 0.406,397 -1,398 1.382,399 -0.1,400 -1,401 -1.5,403 -2.723,404 -1,405 -0.423,406 -1.563,407 1.284,408 -0.626,409 -1.616,410 -2.056,412 -5.232,413 -1.599,414 8.6,415 0.478,416 0.511,417 0.028,418 25.5,419 1.417,420 15,421 0.833,422 10.5,423 0.583,424 10.057,425 0.559,426 18.4,427 0.575,428 17.775,429 0.988,430 5.375,431 0.299,432 3.2,433 0.178,434 0.186,435 0.349,436 1.31,437 0.802,438 0.899,439 0.694,440 1.307,441 0.736,442 0.368,443 0.94,444 0.795,445 1.033,446 0.397,447 0.979,448 0.934,449 1.114,450 1.052,451 1.13,452 0.92,453 1.11,454 1.004,455 1.072,456 1.084,457 1.106,458 1.021,459 1.105,460 0.729,461 0.998,462 0.869,463 0.993,464 0.728,465 0.956,466 0.88,467 1.204,468 1.049,469 1.198,470 0.837,471 1.154,472 1.334,473 1.142,474 1.108,475 1.044,476 1.361,477 1.047,478 1.114,479 1.213,480 0.935,481 1.025,482 1.126,483 0.97,484 4,486 2.222,487 1,488 0.764,489 0.778,490 0.245,491 0.194,492 0.18,494 2471,495 7299,496 1.963,497 43.8,499 8,502 6,506 1.589,507 1.8,508 2.933,509 3.895,511 1,512 1,513 1,514 45.394,515 1.419,516 2.75,517 3.25,518 3.75,519 3.875,520 3.875,521 2.281,522 2.503,523 4.144,524 3.018,525 461.681,526 7.042,527 4345.14,528 1,529 1,531 160,532 1.53,533 4.076,534 0.211,536 0.085,537 0.038,538 0.035,539 0.039,540 0.015,541 0.016,542 0.023,544 0.462,545 0.5,546 1,547 1.066,548 75.768,549 -0.33,550 0.358,551 -0.052,552 0.28,553 -0.37,554 0.172,555 0.25,556 0.123,557 0.036,558 0.007,559 0.228,560 -0.003,561 -0.137,562 -0.088,563 -0.165,564 -0.132,565 -0.084,566 -0.148,567 -0.13,568 -0.102,569 -0.142,570 -0.124,571 -0.148,572 -0.132,573 0.045,574 -0.097,575 0.107,576 0.015,577 0.036,578 0.059,579 -0.028,580 -0.268,581 -0.09,582 -0.213,583 0.012,584 -0.169,585 -0.159,586 -0.192,587 -0.088,588 -0.121,589 -0.186,590 -0.1,591 0.034,592 -0.336,593 0.132,594 -0.095,595 0.013,596 0.008,597 1.625,598 2.429,599 0.667,600 11.062,601 0.995,602 1.127,603 2.873,604 8.252,605 0.682,606 2.996,607 3.296,608 3.497,609 3.664,610 3.892,611 3.85,612 3.912,613 3.807,614 3.761,615 3.611,616 4.58,617 0.647,618 238.32,619 2.996,620 4.511,621 5.333,622 6.188,623 7.034,624 7.892,625 8.745,626 9.603,627 10.46,628 11.319,629 12.5,630 2,636 2,639 8,641 4,643 12,647 32,648 14,649 2,650 19,651 33,652 14,653 12,654 4,655 8,656 2,657 2,658 2,664 14,666 2,667 2,671 2,673 1,674 14,675 4,676 6,677 4,680 4,681 2,682 1,689 2,694 2,700 2,703 18,704 2,716 10,717 5.333,718 4,719 1.59,720 2.519,721 1.414,722 1.007,723 3.33,724 8.606,725 3.332,726 3.912,727 4.46,728 4.992,729 5.564,730 5.752,731 6.167,732 6.36,733 6.668,734 6.865,735 0.8,736 26,737 6.551,739 2.707,740 7.944,741 12.199,743 9.649,745 2.444,746 44,747 0.001,748 94.169,749 93.208,750 129.138,753 93.208,754 94.169,755 129.138,757 65.794,758 75.81,759 4.656,760 76.086,762 94.169,763 94.169,764 222.346,767 94.169,770 129.138,771 93.208,774 94.169,775 129.138,776 93.208,777 94.169,778 17.398,779 75.81,781 129.138,782 94.169,783 129.138,784 93.208,785 0.583,786 0.331,787 0.161,788 0.092,789 12,790 6,791 0.091,792 3,794 1,795 2.956,796 123.567,798 12,799 57.059,801 12.179,802 4.921,803 2.708,805 129.138,806 14.862,808 3.262,810 129.138,811 316.515,812 27,813 14.857,817 0.083,818 31.825,819 36.069,820 0.284,821 0.55,822 0.65,823 0.75,824 0.775,825 0.775,826 4.533,827 1,828 5.323,829 2.323,830 3.97,831 4.595,832 0.892,833 6.098,834 3.94,835 5.751,836 -0.483,837 6.872,838 2.319,839 3.611,840 4.369,842 6.963,843 3.547,844 7.052,845 -0.732,846 8.521,847 -1.198,848 5.533,849 6.759,850 0.418,851 9.989,852 5.485,853 8.386,854 -0.792,855 10.226,856 -1.802,857 5.943,858 7.292,860 11.626,861 5.863,862 9.748,863 -1,864 11.964,865 -2,866 7.378,867 9.188,868 0.171,869 14.156,870 7.311,871 11.129,872 -1,873 13.723,874 -2,875 8.128,876 10.086,878 16.106,879 8.037,880 12.526,881 -1,882 15.496,883 -2.25,884 9.356,885 11.746,886 0.065,887 18.447,888 9.27,889 2.977,890 -1.616,891 17.278,892 -2.723,893 10.267,894 12.843,896 20.539,897 10.165,898 2.732,899 9.447,900 19.067,901 -5.232,902 11.402,903 14.376,904 0.024,905 22.806,906 11.302,907 2.465,908 8.265,909 20.861,910 4.017,911 12.392,912 15.587,914 24.966,915 12.281,916 1.732,917 7.623,918 22.658,919 3.651,920 13.488,921 17.051,922 0.009,923 27.205,924 13.376,925 1.374,926 4.373,927 24.457,928 3.155,929 14.517,930 18.329,932 29.399,933 14.398,934 1,935 3.067,936 26.259,937 2.481,938 15.597,939 19.754,940 0.003,941 31.63,942 15.476,943 1,944 2.525,945 28.063,946 1.985,947 16.648,948 21.073,950 33.843,951 16.521,952 2581,953 4482,954 12.137,955 21.83,956 29.134,957 28.563,958 29.595,959 28.59,960 28.559,961 39.469,962 2.4,963 79.884,964 28.035,965 5.028,966 5.047,967 5.804,968 4.972,969 4.977,970 7.017,971 1.2,972 15.88,973 4.963,974 10.12,975 1.533,976 1.503,977 1.558,978 1.505,979 1.503,980 2.077,981 0.126,982 4.204,983 1.476,984 4.021,985 4.046,986 3.972,987 3.975,988 5.884,989 3.971,990 3.799,991 3.836,992 3.74,993 3.728,994 5.875,995 3.726,996 3.388,997 3.475,998 3.306,999 3.168,1000 4.829,1001 3.193,1002 3.302,1003 3.393,1004 3.194,1005 3.068,1006 4.796,1007 3.09,1008 2.93,1009 2.985,1010 2.807,1011 2.835,1012 4.743,1013 2.822,1014 2.713,1015 2.804,1016 2.539,1017 2.525,1018 4.527,1019 2.52,1020 2.679,1021 2.778,1022 2.503,1023 2.462,1024 3.725,1025 2.465,1026 2.499,1027 2.622,1028 2.304,1029 2.335,1030 3.566,1031 2.319,1032 0.229,1033 0.16,1034 0.329,1035 0.209,1036 0.157,1037 4.352,1038 0.211,1039 3.047,1040 0.032,1041 6.255,1042 0.497,1043 3.972,1044 0.156,1045 2.977,1046 4.017,1047 0.6,1048 9.447,1049 2.963,1050 2.002,1051 1.982,1052 2.089,1053 2.067,1054 1.207,1055 2.076,1056 1.793,1057 1.764,1058 1.906,1059 1.897,1060 0.974,1061 1.901,1062 1.296,1063 1.226,1064 1.47,1065 1.585,1066 0.329,1067 1.561,1068 1.224,1069 1.145,1070 1.434,1071 1.516,1072 0.265,1073 1.505,1074 0.952,1075 0.901,1076 1.187,1077 1.091,1078 0.249,1079 1.127,1080 0.714,1081 0.627,1082 1.044,1083 0.967,1085 0.999,1086 0.667,1087 0.571,1088 1.007,1089 0.951,1091 0.975,1092 0.521,1093 0.438,1094 0.884,1095 0.832,1097 0.85,1098 3.664,1099 4.963,1101 6.46,1103 8.04,1105 9.663,1107 10.936,1114 20.72,1115 45.394,1116 88,1117 104,1118 120,1119 124,1120 124,1121 27.456,1122 6.087,1123 99.74,1124 99.74,1125 12,1126 11.87,1127 3.907,1128 3.17,1129 30.895,1130 49,1131 40,1132 0.322,1133 134.034,1134 227.12,1135 318.804,1136 2739,1137 13.121,1138 0.729,1139 0.543,1140 13.121,1141 9.774,1142 8.575,1143 0.451,1144 0.288,1145 5.434,1146 8.423,1147 5.291,1148 4.442,1149 8.575,1150 5.47,1151 7.862,1152 0.302,1153 0.153,1154 7.862,1155 3.989,1156 6.063,1157 0.189,1158 0.084,1159 6.063,1160 2.68,1161 4.601,1162 0.121,1163 0.046,1164 4.601,1165 1.733,1166 3.818,1167 0.08,1168 0.025,1169 3.818,1170 1.184,1171 0.487,1172 52.607,1173 0.287,1174 17.855,1175 0.93,1176 90,1177 225.29,1178 94.219,1179 237.775,1180 323.42,1181 218,1182 103,1183 239.944,1184 106.331,1185 252.061,1186 358.84,1187 236,1188 6.222}
{0 CHEMBL150623,1 1.698,2 8,3 -0.079,4 0.006,5 60.83,6 7.867,7 0.375,8 3.446,9 3.606,10 2.997,11 2.829,12 4.849,13 2.855,14 3.762,15 3.933,16 3.23,17 3.13,18 5.137,19 3.118,20 3.996,21 4.211,22 3.242,23 3.21,24 5.407,25 3.168,26 4.032,27 4.295,28 3.037,29 3.089,30 5.257,31 3.019,32 3.844,33 4.112,34 2.892,35 2.912,36 5.025,37 2.849,38 3.717,39 3.979,40 2.767,41 2.753,42 4.978,43 2.693,44 3.593,45 3.865,46 2.679,47 2.588,48 4.872,49 2.555,50 3.459,51 3.707,52 2.501,53 2.403,54 4.783,55 2.393,56 0.182,57 0.431,58 5.742,59 1.615,60 21.033,61 2.483,62 0.191,63 0.575,64 7.895,65 2.928,66 24.729,67 4.133,68 0.308,69 0.615,70 11.043,71 3.077,72 40.708,73 5.011,74 0.328,75 0.537,76 13.017,77 2.882,78 46.172,79 5.235,80 0.211,81 0.452,82 10.589,83 2.333,84 26.242,85 4.408,86 0.226,87 0.38,88 9.36,89 2.137,90 32.843,91 3.783,92 0.216,93 0.318,94 8.454,95 1.691,96 24.158,97 3.102,98 0.199,99 0.258,100 7.352,101 1.234,102 29.243,103 2.378,104 25,105 20,106 0.334,107 0.709,108 0.847,109 0.917,110 0.931,111 0.931,112 2.849,113 0.816,114 -2.56,115 -2.58,116 -2.52,117 32.1,126 4,127 2,134 1,137 1,138 1,141 1,142 1,143 1,147 1,148 1,150 6,152 1,155 4,156 2,158 1,159 6,161 1,165 2,167 2,168 2,169 5,171 3,172 2,175 2,177 1,179 6,182 2,186 1,190 6,193 1,196 1,197 2,199 6,208 2,209 6,210 1,218 4,228 4,229 1,231 2,235 288,236 10.491,237 10.491,238 10.491,239 10.491,240 10.491,241 9.286,242 9.491,243 6.383,244 10.722,245 7.811,246 7.811,247 7.811,248 7.811,249 7.811,250 5.919,251 7.414,252 2.947,253 8.123,254 3.109,255 1.2,256 0.5,257 0.143,258 0.071,259 0.071,260 3.474,262 1,263 1,264 248,265 3.317,267 58.128,269 1.25,270 17.042,272 0.75,273 0.83,274 0.83,275 0.5,277 0.83,278 1,279 0.68,280 36,281 128,282 4.204,283 3.659,284 5.975,285 3.803,286 2.817,287 3.812,288 1.463,289 8.464,290 2.779,291 3.725,292 2.967,293 5.243,294 3.319,295 2.375,296 3.031,297 0.6,298 6.541,299 2.264,300 3.6,301 2.577,302 4.98,303 3.197,304 2.247,305 2.806,306 0.414,307 5.867,308 2.109,309 2.96,310 2.397,311 3.795,312 2.396,313 1.427,314 2.057,316 3.128,317 1.381,318 2.584,319 1.739,320 3.439,321 2.036,322 1.07,323 1.483,324 2.329,325 1.031,326 2.528,327 1.319,328 3.338,329 1.97,330 1,331 1.469,332 2.274,333 0.968,334 1.51,335 1.103,336 2.649,337 1.298,338 0.334,339 0.377,340 0.485,341 0.321,342 1.201,343 0.19,344 2,345 0.786,346 -0.19,347 -0.237,349 -0.397,350 -0.184,351 0.793,352 -0.353,353 2,354 0.265,355 -0.714,356 -0.959,358 -1.665,359 -0.696,360 0.644,361 -0.494,362 1.598,363 0.11,364 -0.863,365 -1.23,367 -2,368 -0.84,369 0.409,370 -0.619,371 1.397,372 -0.1,373 -1,374 -1.431,376 -2.336,377 -0.9,378 -0.019,379 -0.773,380 1.217,381 -0.375,382 -1.315,383 -1.687,385 -2.86,386 -1.234,387 -0.34,388 -1.271,389 1,390 -0.568,391 -1.517,392 -1.798,394 -4.042,395 -1.443,396 -0.5,397 -1.57,398 0.522,399 -0.758,400 -1.734,401 -2.181,402 -0.59,403 -4.734,404 -1.687,405 -0.56,406 -1.769,407 0.452,408 -0.979,409 -1.938,410 -2.511,411 -0.6,412 -5.244,413 -1.868,414 7.233,415 0.452,416 0.37,417 0.023,418 20.25,419 1.266,420 10.5,421 0.656,422 9.75,423 0.609,424 8.557,425 0.535,426 17.967,427 0.642,428 14.371,429 0.898,430 4.669,431 0.292,432 2.962,433 0.185,434 0.212,435 0.276,436 1.056,437 1.025,438 0.892,439 0.757,440 1.185,441 0.775,442 0.674,443 1.055,444 0.862,445 1.166,446 0.632,447 1.082,448 0.71,449 1.09,450 1.054,451 1.177,452 0.742,453 1.182,454 0.962,455 1.111,456 1.018,457 1.018,458 0.954,459 1.028,460 0.822,461 1.281,462 0.92,463 1.128,464 0.721,465 1.04,466 0.885,467 1.101,468 0.976,469 1.119,470 0.899,471 1.075,472 0.996,473 0.905,474 0.93,475 0.93,476 0.908,477 0.901,478 1.646,479 1.213,480 1.167,481 1.055,482 1.593,483 1.015,484 3.5,486 1.556,487 0.75,488 0.502,489 0.438,490 0.183,491 0.128,492 0.152,493 0.056,494 1842,495 7322,496 1.861,497 42.9,499 4,501 1,502 7,506 1.545,507 1.714,508 3.033,509 5.362,511 1,514 47.547,515 1.698,516 3.607,517 4.307,518 4.664,519 4.736,520 4.736,521 2.483,522 3.578,523 3.97,524 3.152,525 378.186,526 6.66,527 3410,529 1,531 134.606,532 1.5,533 3.906,534 0.219,536 0.078,537 0.039,538 0.033,539 0.034,540 0.017,541 0.013,542 0.019,543 0.009,544 0.461,545 0.33,546 0.88,547 2.125,548 66.214,549 -0.118,550 0.282,551 -0.072,552 0.321,553 -0.303,554 0.162,555 0.084,556 0.225,557 -0.054,558 -0.008,559 0.051,560 -0.069,561 0.09,562 0.042,563 -0.179,564 -0.136,565 0.069,566 -0.207,567 -0.086,568 -0.187,569 -0.05,570 -0.041,571 -0.102,572 -0.037,573 -0.079,574 -0.344,575 0.036,576 -0.145,577 -0.014,578 -0.035,579 -0.007,580 -0.176,581 -0.004,582 -0.161,583 -0.029,584 -0.096,585 -0.027,586 -0.014,587 0.074,588 -0.035,589 0.001,590 0.043,591 -0.377,592 -0.357,593 -0.143,594 -0.178,595 -0.304,596 -0.11,597 2.001,598 2.293,599 0.375,600 11,601 1.021,602 1.159,603 1.33,604 1.769,605 0.635,606 2.833,607 3.045,608 3.135,609 3.178,610 3.296,611 3.178,612 3.135,613 2.89,614 2.833,615 2.565,616 4.93,617 0.622,618 220.27,619 2.833,620 4.29,621 5.056,622 5.861,623 6.65,624 7.46,625 8.259,626 9.071,627 9.875,628 10.69,629 21.4,630 1,631 2,636 3,639 4,641 2,643 6,647 28,648 9,649 1,650 16,651 28,652 9,653 6,654 2,655 4,656 2,657 1,658 1,659 1,660 1,664 9,666 3,667 2,669 1,670 1,671 2,673 1,674 12,675 7,676 7,677 7,680 6,681 1,682 1,683 1,689 1,694 1,695 1,698 1,700 1,703 16,704 1,705 1,707 2,711 3.6,712 1,716 9.333,717 4.4,718 3.778,719 1.201,720 1.826,721 1.338,722 0.91,723 4.445,724 7.233,725 3.135,726 3.597,727 4.012,728 4.438,729 4.904,730 4.994,731 5.231,732 5.128,733 5.253,734 5.229,735 1,736 19,737 5.742,738 0.001,739 2.244,740 8.292,741 10.279,743 7.43,745 2.792,746 44.667,747 0.001,748 58.856,749 57.551,750 145.265,751 42.806,753 57.551,754 101.661,755 145.265,757 32.897,758 113.072,759 23.146,760 86.378,761 1.899,762 47.084,763 58.856,764 202.816,765 42.806,767 58.856,769 42.806,770 145.265,771 48.503,772 9.047,774 58.856,775 188.071,776 57.551,777 58.856,778 10.598,779 46.952,780 32.361,781 155.71,782 58.856,783 188.071,784 57.551,785 0.559,786 0.306,787 0.132,788 0.07,789 7,790 4,791 0.179,792 5,794 1,795 2.829,796 91.678,798 6,799 64,801 12.162,802 5.847,803 4.017,805 188.071,806 6.912,808 1.324,810 171.408,811 304.477,812 22,813 14.221,815 1.443,816 3.679,817 -0.355,818 28.589,819 32.445,820 0.353,821 0.75,822 0.896,823 0.97,824 0.985,825 0.985,826 4.297,827 -0.19,828 5.004,829 0.485,830 3.714,831 4.277,832 1.798,833 5.673,834 3.645,835 5.473,836 -0.714,837 6.491,838 -0.397,839 3.219,840 3.951,841 0.623,842 6.368,843 3.102,844 6.739,845 -0.863,846 8.075,847 -1.665,848 5.176,849 6.319,850 2.169,851 9.313,852 5.054,853 8.037,854 -1,855 9.714,856 -2,857 5.442,858 6.748,859 1.414,860 10.788,861 5.279,862 9.36,863 -1.315,864 11.386,865 -2.336,866 6.891,867 8.628,868 2.742,869 13.242,870 6.729,871 10.702,872 -1.517,873 13.081,874 -2.86,875 7.515,876 9.428,877 2.249,878 15.057,879 7.325,880 12.058,881 -1.734,882 14.792,883 -4.042,884 8.736,885 11.079,886 3.39,887 17.321,888 8.546,889 2.817,890 -1.938,891 16.516,892 -4.734,893 9.545,894 12.09,895 3.093,896 19.3,897 9.337,898 2.375,899 8.464,900 18.248,901 -5.244,902 10.66,903 13.614,904 4.071,905 21.486,906 10.45,907 2.247,908 6.541,909 19.988,910 3.812,911 11.568,912 14.751,913 3.927,914 23.546,915 11.346,916 1.427,917 5.867,918 21.735,919 3.031,920 12.633,921 16.202,922 4.773,923 25.7,924 12.407,925 1.07,926 3.128,927 23.487,928 2.806,929 13.596,930 17.417,931 4.748,932 27.798,933 13.36,934 1,935 2.329,936 25.243,937 2.057,938 14.639,939 18.823,940 5.49,941 29.94,942 14.397,943 0.334,944 2.274,945 27.003,946 1.483,947 15.632,948 20.086,949 5.557,950 32.057,951 15.381,952 2028,953 4109,954 9.94,955 17.773,956 22.973,957 25.307,958 23.838,959 22.563,960 22.54,961 30.069,962 4.956,963 58.174,964 21.705,965 4.944,966 5.659,967 5.58,968 4.803,969 4.817,970 6.812,971 2.751,972 14.272,973 4.779,974 9.566,975 1.436,976 1.582,977 1.49,978 1.41,979 1.409,980 1.879,981 0.31,982 3.636,983 1.357,984 3.945,985 3.978,986 3.891,987 3.88,988 6.51,989 3.878,990 3.576,991 3.666,992 3.516,993 3.261,994 5.88,995 3.312,996 3.377,997 3.463,998 3.293,999 3.122,1000 5.812,1001 3.159,1002 3.147,1003 3.23,1004 3.041,1005 2.923,1006 4.831,1007 2.937,1008 2.764,1009 2.847,1010 2.608,1011 2.504,1012 4.77,1013 2.513,1014 2.687,1015 2.784,1016 2.511,1017 2.356,1018 4.479,1019 2.378,1020 2.548,1021 2.662,1022 2.38,1023 2.064,1024 3.638,1025 2.151,1026 2.413,1027 2.581,1028 2.114,1029 1.9,1030 3.535,1031 1.925,1032 0.263,1033 0.229,1034 0.373,1035 0.238,1036 0.176,1037 4.204,1038 0.238,1039 3.659,1040 0.091,1041 5.975,1042 0.529,1043 3.803,1044 0.174,1045 2.817,1046 3.812,1047 1.463,1048 8.464,1049 2.779,1050 1.924,1051 1.898,1052 2.022,1053 2.013,1054 1.107,1055 2.017,1056 1.415,1057 1.333,1058 1.547,1059 1.773,1060 0.402,1061 1.713,1062 1.272,1063 1.194,1064 1.452,1065 1.578,1066 0.262,1067 1.552,1068 1.073,1069 1.003,1070 1.288,1071 1.364,1072 0.181,1073 1.338,1074 0.707,1075 0.614,1076 1.035,1077 1.057,1079 1.028,1080 0.578,1081 0.481,1082 0.916,1083 0.964,1085 0.981,1086 0.409,1087 0.302,1088 0.815,1089 0.858,1091 0.861,1092 0.319,1093 0.131,1094 0.792,1095 0.782,1097 0.801,1098 3.497,1099 4.727,1101 6.142,1103 7.637,1105 9.175,1107 5.327,1108 8.293,1110 3.821,1114 17.424,1115 47.547,1116 100.996,1117 120.606,1118 130.606,1119 132.606,1120 132.606,1121 28.266,1122 5.407,1123 130.37,1124 130.37,1125 6,1126 11.278,1127 3.322,1128 2.807,1129 34.756,1130 46,1131 46,1132 0.374,1133 116.906,1134 199.95,1135 277.01,1136 1137,1137 11.966,1138 0.748,1139 0.522,1140 11.966,1141 8.359,1142 7.63,1143 0.477,1144 0.272,1145 4.265,1146 7.214,1147 4.194,1148 3.556,1149 7.63,1150 4.354,1151 6.481,1152 0.324,1153 0.145,1154 6.481,1155 2.896,1156 4.772,1157 0.217,1158 0.077,1159 4.772,1160 1.699,1161 3.159,1162 0.137,1163 0.043,1164 3.159,1165 0.983,1166 2.374,1167 0.091,1168 0.023,1169 2.374,1170 0.601,1171 0.587,1172 48.866,1173 0.317,1174 16.579,1175 1.008,1176 72,1177 254.439,1178 81.238,1179 255.585,1180 332,1181 232,1182 78,1183 238.977,1184 86.516,1185 243.303,1186 335.74,1187 225,1188 7.036}
{0 CHEMBL150828,1 1.506,2 7.188,3 -0.193,4 0.037,5 63.122,6 7.277,7 0.375,8 3.483,9 3.658,10 2.977,11 2.916,12 4.8,13 2.91,14 3.842,15 4.041,16 3.258,17 3.22,18 5.15,19 3.178,20 4.043,21 4.265,22 3.256,23 3.305,24 5.312,25 3.254,26 4.105,27 4.362,28 3.122,29 3.268,30 5.225,31 3.181,32 4.037,33 4.301,34 3.065,35 3.176,36 5.132,37 3.081,38 3.968,39 4.231,40 2.891,41 3.034,42 5.205,43 2.928,44 3.968,45 4.305,46 2.557,47 2.821,48 5.076,49 2.666,50 3.61,51 3.955,52 2.237,53 2.471,54 4.561,55 2.312,56 0.099,57 0.468,58 6.525,59 1.887,60 18.212,61 3.067,62 0.13,63 0.627,64 9.627,65 3.546,66 25.373,67 5.278,68 0.205,69 0.698,70 12.291,71 3.2,72 32.933,73 5.447,74 0.177,75 0.659,76 13.663,77 3.449,78 30.351,79 6.107,80 0.116,81 0.599,82 12.799,83 3.484,84 23.938,85 6.094,86 0.183,87 0.529,88 11.995,89 2.854,90 33.632,91 5.16,92 0.263,93 0.416,94 13.287,95 2.609,96 46.703,97 5.069,98 0.124,99 0.282,100 9.267,101 1.982,102 22.347,103 3.845,104 33,105 21,106 0.291,107 0.659,108 0.741,109 0.828,110 0.841,111 0.841,112 2.851,113 0.86,114 -2.81,115 -2.82,116 -2.73,117 33.3,118 1,126 4,127 2,136 1,137 1,138 1,141 3,142 3,143 3,144 1,150 6,152 2,153 2,154 2,155 2,156 2,158 3,159 7,161 1,163 1,165 4,166 2,167 2,169 4,171 5,172 2,175 4,179 4,181 2,182 2,186 3,190 6,192 1,193 5,195 1,196 1,197 2,199 6,202 5,206 1,207 2,209 4,212 4,218 2,222 2,228 4,231 6,234 2,235 284,236 10.121,237 10.121,238 10.121,239 10.121,240 10.121,241 8.642,242 10.192,243 6.07,244 10.33,245 7.862,246 7.862,247 7.862,248 7.862,249 7.862,250 5.792,251 11.527,252 2.865,253 8.165,254 3.401,255 1.501,256 1.075,257 0.625,258 0.558,259 0.558,260 3.468,262 1,263 1,264 221,265 3.464,267 57.446,269 1.211,270 14.819,272 0.75,273 0.83,274 0.83,275 0.5,277 0.83,278 1,279 0.68,280 35,281 115,282 4.289,283 3.136,284 6.135,285 3.891,286 2.905,287 3.897,288 1.072,289 8.973,290 2.866,291 3.93,292 2.888,293 5.787,294 3.518,295 2.548,296 3.304,297 0.782,298 7.694,299 2.471,300 3.617,301 2.701,302 4.678,303 3.1,304 2.183,305 2.873,306 0.6,307 5.2,308 2.002,309 3.121,310 1.944,311 4.192,312 2.575,313 1.611,314 2.274,316 3.841,317 1.55,318 2.636,319 1.344,320 3.667,321 2.105,322 1.127,323 1.621,324 2.708,325 1.1,326 2.529,327 1.102,328 3.435,329 1.97,330 1,331 1.475,332 2.322,333 0.968,334 1.442,335 0.64,336 2.728,337 1.331,338 0.353,339 0.373,340 0.752,341 0.344,342 0.803,343 -0.245,344 2,345 0.329,346 -0.664,347 -0.873,349 -1.568,350 -0.658,351 0.655,352 -0.354,353 2,354 0.159,355 -0.836,356 -1,358 -2,359 -0.83,360 0.467,361 -0.597,362 1.584,363 -0.072,364 -1,365 -1.085,367 -2,368 -0.9,369 0.408,370 -0.6,371 1.402,372 -0.1,373 -1,374 -1.43,376 -2.346,377 -0.9,379 -0.785,380 1.265,381 -0.1,382 -1,383 -1.481,385 -2.539,386 -0.928,387 -0.296,388 -1.249,389 1,390 -0.569,391 -1.553,392 -1.974,393 -0.4,394 -4.156,395 -1.524,396 -0.463,397 -1.557,398 1,399 -0.774,400 -1.748,401 -2.272,402 -0.6,403 -5.24,404 -1.69,405 -0.5,406 -1.788,407 0.672,408 -0.965,409 -1.926,410 -2.7,411 -0.672,412 -5.455,413 -1.87,414 7.4,415 0.463,416 0.497,417 0.031,418 20,419 1.25,420 10.5,421 0.656,422 9.5,423 0.594,424 9.895,425 0.618,426 17.8,427 0.593,428 13.996,429 0.875,430 4.466,431 0.279,432 3.037,433 0.19,434 0.284,435 0.338,436 1.232,437 1.064,438 0.949,439 0.852,440 1.425,441 0.85,442 0.345,443 1.061,444 0.678,445 1.115,446 0.323,447 0.978,448 1.25,449 1.068,450 1.175,451 1.063,452 1.09,453 1.1,454 1.157,455 1.134,456 1.094,457 1.082,458 0.997,459 1.077,460 0.801,461 1.327,462 0.88,463 1.206,464 0.738,465 1.077,466 1.077,467 1.268,468 1.225,469 1.339,470 1.082,471 1.313,472 1.127,473 0.682,474 1.022,475 0.748,476 1.23,477 0.851,478 0.826,479 0.935,480 0.734,481 0.804,482 0.763,483 0.759,484 4,486 2,487 0.875,488 0.702,489 0.611,490 0.183,491 0.128,492 0.14,494 1690,495 5698,496 1.828,497 46.7,499 4,502 7,503 3,506 1.55,507 1.655,508 2.899,509 5.3,511 1,514 45.175,515 1.506,516 3.406,517 3.831,518 4.282,519 4.348,520 4.348,521 2.281,522 3.375,523 3.969,524 3.018,525 362.133,526 6.683,527 3194.32,529 1,531 147.207,532 1.579,533 3.882,534 0.25,536 0.095,537 0.044,538 0.041,539 0.038,540 0.015,541 0.016,542 0.023,544 0.523,545 0.5,546 1,547 1.899,548 65.102,549 -0.232,550 0.26,551 -0.062,552 0.24,553 -0.416,554 0.136,555 0.404,556 0.14,557 0.204,558 0.045,559 0.377,560 0.083,561 -0.225,562 0.096,563 -0.253,564 -0.052,565 -0.178,566 -0.144,567 -0.235,568 -0.114,569 -0.152,570 -0.079,571 -0.185,572 -0.098,573 0.001,574 -0.363,575 0.061,576 -0.168,577 0.042,578 -0.059,579 -0.073,580 -0.276,581 -0.269,582 -0.39,583 -0.071,584 -0.368,585 -0.048,586 0.078,587 0.013,588 0.089,589 -0.11,590 0.066,591 0.068,592 -0.243,593 0.295,594 0.095,595 0.104,596 0.218,597 1.762,598 2.314,599 0.375,600 10.219,601 1.005,602 1.155,603 1.58,604 2.498,605 0.636,606 2.833,607 3.091,608 3.178,609 3.258,610 3.434,611 3.296,612 3.178,613 2.89,614 2.639,615 2.197,616 4.55,617 0.608,618 218.3,619 2.833,620 4.317,621 5.094,622 5.922,623 6.73,624 7.56,625 8.38,626 9.211,627 10.038,628 10.87,629 20,630 3,636 3,639 4,641 2,643 6,644 1,647 30,648 9,649 1,650 16,651 30,652 10,653 6,654 2,655 4,656 3,657 1,658 1,660 1,661 1,664 9,665 1,666 3,667 1,670 2,671 3,673 1,674 14,675 6,676 7,677 6,680 6,681 1,682 1,689 1,694 3,700 1,702 1,703 16,704 3,716 9.667,717 5.233,718 3.639,719 1.383,720 1.976,721 1.365,722 0.949,723 4.025,724 7.383,725 3.135,726 3.676,727 4.099,728 4.566,729 5.061,730 5.179,731 5.43,732 5.423,733 5.511,734 5.411,735 0.8,736 20,737 5.769,738 0.001,739 2.246,740 8.083,741 10.51,743 7.675,745 2.583,746 41.333,747 0.001,748 82.398,749 60.085,750 163.69,753 60.085,754 82.398,755 163.69,756 8.825,757 98.692,758 37.905,759 5.085,760 71.369,761 1.899,762 82.398,763 82.398,764 223.775,767 82.398,770 172.515,771 51.26,774 82.398,775 163.69,776 60.085,777 82.398,778 13.355,779 46.73,781 163.69,782 82.398,783 163.69,784 60.085,785 0.575,786 0.301,787 0.136,788 0.083,789 8,790 5,791 0.1,792 3,794 1,795 2.736,796 94.854,798 6,799 62,801 12.201,802 5.279,803 3.668,805 163.69,806 7.136,808 1.453,810 130.364,811 306.172,812 22,813 7.314,816 7.388,817 0.565,818 30.145,819 34.651,820 0.307,821 0.694,822 0.781,823 0.873,824 0.886,825 0.886,826 4.324,827 -0.664,828 5.081,829 0.752,830 3.761,831 4.357,832 1.548,833 5.802,834 3.696,835 5.546,836 -0.836,837 6.605,838 -1.568,839 3.434,840 4.159,841 0.623,842 6.613,843 3.319,844 6.844,845 -1,846 8.229,847 -2,848 5.273,849 6.47,850 1.269,851 9.584,852 5.162,853 8.172,854 -1,855 9.908,856 -2,857 5.673,858 6.98,859 0.819,860 11.165,861 5.525,862 9.524,863 -1,864 11.621,865 -2.346,866 7.06,867 8.835,868 1.152,869 13.667,870 6.917,871 10.891,872 -1.553,873 13.357,874 -2.539,875 7.787,876 9.694,877 0.94,878 15.569,879 7.62,880 12.272,881 -1.748,882 15.109,883 -4.156,884 8.985,885 11.329,886 1.131,887 17.884,888 8.817,889 2.905,890 -1.926,891 16.872,892 -5.24,893 9.871,894 12.387,895 1.043,896 19.933,897 9.688,898 2.548,899 8.973,900 18.644,901 -5.455,902 10.984,903 13.901,904 1.164,905 22.17,906 10.797,907 2.183,908 7.694,909 20.422,910 3.897,911 11.952,912 15.078,913 1.141,914 24.287,915 11.753,916 1.611,917 5.2,918 22.205,919 3.304,920 13.029,921 16.523,922 1.228,923 26.492,924 12.823,925 1.127,926 3.841,927 23.992,928 2.873,929 14.038,930 17.772,931 1.24,932 28.643,933 13.822,934 1,935 2.708,936 25.782,937 2.274,938 15.101,939 19.179,940 1.311,941 30.836,942 14.876,943 0.353,944 2.322,945 27.573,946 1.621,947 16.132,948 20.471,949 1.342,950 33.004,951 15.897,952 1887,953 3525,954 9.652,955 19.08,956 23.877,957 23.501,958 24.493,959 23.508,960 23.453,961 31.633,962 4.908,963 62.984,964 22.603,965 4.926,966 5.136,967 5.68,968 4.891,969 4.905,970 6.897,971 1.854,972 15.162,973 4.866,974 10.405,975 1.492,976 1.469,977 1.531,978 1.469,979 1.466,980 1.977,981 0.307,982 3.936,983 1.413,984 3.957,985 3.99,986 3.906,987 3.891,988 5.88,989 3.89,990 3.597,991 3.685,992 3.537,993 3.355,994 5.352,995 3.385,996 3.393,997 3.486,998 3.295,999 3.124,1000 4.817,1001 3.162,1002 3.253,1003 3.348,1004 3.106,1005 3.026,1006 4.756,1007 3.037,1008 2.779,1009 2.866,1010 2.584,1011 2.629,1012 4.659,1013 2.607,1014 2.666,1015 2.803,1016 2.464,1017 2.445,1018 4.492,1019 2.443,1020 2.608,1021 2.775,1022 2.322,1023 2.105,1024 3.787,1025 2.143,1026 2.513,1027 2.649,1028 2.27,1029 2.061,1030 3.574,1031 2.083,1032 0.268,1033 0.196,1034 0.383,1035 0.243,1036 0.182,1037 4.289,1038 0.244,1039 3.136,1040 0.067,1041 6.135,1042 0.561,1043 3.891,1044 0.179,1045 2.905,1046 3.897,1047 1.072,1048 8.973,1049 2.866,1050 1.933,1051 1.907,1052 2.031,1053 2.022,1054 1.13,1055 2.026,1056 1.492,1057 1.421,1058 1.692,1059 1.781,1060 0.729,1061 1.746,1062 1.295,1063 1.202,1064 1.519,1065 1.607,1066 0.271,1067 1.598,1068 1.207,1069 1.12,1070 1.443,1071 1.489,1072 0.185,1073 1.497,1074 0.807,1075 0.73,1076 1.111,1077 1.057,1078 0.101,1079 1.064,1080 0.656,1081 0.559,1082 1.021,1083 1.019,1085 1.054,1086 0.508,1087 0.307,1088 0.997,1089 0.952,1091 0.972,1092 0.389,1093 0.252,1094 0.795,1095 0.832,1097 0.827,1098 3.497,1099 4.762,1101 6.205,1103 7.727,1105 9.296,1106 1.77,1107 15.708,1114 18.236,1115 45.175,1116 102.187,1117 114.942,1118 128.452,1119 130.452,1120 130.452,1121 26.337,1122 5.407,1123 126.63,1124 126.63,1125 6,1126 11.443,1127 3.322,1128 2.807,1129 34.539,1130 42,1131 40,1132 0.413,1133 122.502,1134 208.46,1135 290.664,1136 1071,1137 12.129,1138 0.758,1139 0.558,1140 12.129,1141 8.936,1142 7.503,1143 0.469,1144 0.287,1145 4.519,1146 7.207,1147 4.36,1148 3.715,1149 7.503,1150 4.585,1151 6.879,1152 0.328,1153 0.153,1154 6.879,1155 3.205,1156 4.702,1157 0.204,1158 0.083,1159 4.702,1160 1.907,1161 3.221,1162 0.129,1163 0.044,1164 3.221,1165 1.102,1166 2.67,1167 0.089,1168 0.024,1169 2.67,1170 0.727,1171 0.632,1172 47.08,1173 0.322,1174 16.285,1175 1.168,1176 74,1177 223.56,1178 81.771,1179 230.57,1180 307.42,1181 210,1182 81,1183 229.124,1184 87.467,1185 236.223,1186 328,1187 219,1188 7.18}
{0 CHEMBL150931,1 1.438,2 10.263,3 1.587,4 2.518,5 77.958,6 6.677,7 0.316,8 3.719,9 3.891,10 3.148,11 3.158,12 4.892,13 3.125,14 4.162,15 4.384,16 3.376,17 3.468,18 5.277,19 3.387,20 4.381,21 4.647,22 3.371,23 3.534,24 5.435,25 3.43,26 4.379,27 4.668,28 3.259,29 3.43,30 5.396,31 3.319,32 4.293,33 4.593,34 3.156,35 3.298,36 5.31,37 3.196,38 4.15,39 4.436,40 3.057,41 3.19,42 5.237,43 3.085,44 4.101,45 4.403,46 2.917,47 3.118,48 5.118,49 3.002,50 3.992,51 4.29,52 2.8,53 3.07,54 4.92,55 2.938,56 0.09,57 0.585,58 9.102,59 2.832,60 13.584,61 4.629,62 0.18,63 0.797,64 14.482,65 4.872,66 24.873,67 7.576,68 0.221,69 0.871,70 18.524,71 5.019,72 34.967,73 8.693,74 0.198,75 0.805,76 18.715,77 4.278,78 34.598,79 8.184,80 0.213,81 0.717,82 17.356,83 3.497,84 33.263,85 7.117,86 0.213,87 0.638,88 14.948,89 3.322,90 35.225,91 6.313,92 0.245,93 0.583,94 14.376,95 3.113,96 31.679,97 5.896,98 0.142,99 0.53,100 12.605,101 3.264,102 21.168,103 5.811,104 28,105 23,106 0.262,107 0.655,108 0.809,109 0.884,110 0.894,111 0.894,112 3.007,113 0.974,114 -3.65,115 -3.62,116 -3.45,117 33.3,118 1,119 2,121 1,126 4,127 2,134 1,137 1,138 1,141 2,142 2,143 2,147 1,150 8,152 2,153 1,154 2,155 2,156 2,158 2,159 7,161 1,164 1,165 3,166 1,167 1,169 5,171 3,172 2,175 3,179 8,182 3,186 3,190 7,193 3,195 3,196 1,197 2,199 5,202 3,204 3,208 2,209 2,210 1,211 1,212 2,214 1,218 1,221 3,222 1,226 1,227 2,228 2,231 3,232 5,234 1,235 465,236 12.613,237 12.613,238 12.613,239 12.613,240 12.613,241 11.225,242 10.746,243 8.007,244 12.837,245 9.349,246 9.349,247 9.349,248 9.349,249 9.349,250 7.321,251 9.747,252 3.777,253 9.696,254 3.848,255 1.686,256 0.84,257 0.43,258 0.378,259 0.378,260 3.644,261 1,262 1,263 1,264 382,265 3.742,267 73.27,269 1.645,270 15.444,271 1,272 0.75,273 0.83,274 0.83,275 0.9,276 1,277 0.83,278 1,279 0.88,280 41,281 195,282 4.204,283 2.972,284 5.975,285 3.803,286 2.817,287 3.812,288 1.2,289 8.464,290 2.779,291 3.78,292 2.916,293 5.244,294 3.333,295 2.4,296 3.066,297 0.6,298 6.545,299 2.267,300 3.652,301 2.487,302 5.027,303 3.219,304 2.261,305 2.949,306 0.129,307 6.065,308 2.135,309 2.975,310 1.816,311 3.8,312 2.602,313 1.621,314 2.071,316 3.21,317 1.588,318 2.659,319 1.647,320 3.618,321 2.386,322 1.414,323 1.649,324 3.031,325 1.372,326 2.534,327 1.334,328 3.437,329 2.026,330 1.062,331 1.476,332 2.326,333 1.021,334 2.519,335 1.106,336 3.284,337 1.97,338 1,339 1.435,340 2.241,341 0.968,342 1.731,343 0.886,344 2.74,345 1.596,346 0.643,347 0.678,349 1.087,350 0.611,351 1.16,352 0.15,353 2.257,354 0.882,355 -0.092,356 -0.109,358 -0.198,359 -0.089,360 0.816,361 -0.21,362 2,363 0.543,364 -0.418,365 -0.44,367 -0.71,368 -0.401,369 0.688,370 -0.354,371 1.781,372 0.264,373 -0.715,374 -0.941,376 -1.666,377 -0.697,378 0.545,379 -0.58,380 1.514,381 0.109,382 -0.863,383 -1.12,385 -2,386 -0.84,387 0.409,388 -0.765,389 1.382,390 -0.1,391 -1,392 -1.419,394 -2.331,395 -0.9,397 -0.863,398 1.212,399 -0.284,400 -1.233,401 -1.432,403 -2.455,404 -1.161,405 -0.238,406 -1.265,407 1,408 -0.447,409 -1.414,410 -1.645,412 -3.386,413 -1.367,414 8.9,415 0.468,416 0.37,417 0.019,418 21.75,419 1.145,420 10.5,421 0.553,422 11.25,423 0.592,424 13.542,425 0.713,426 21.7,427 0.556,428 14.988,429 0.789,430 4.57,431 0.241,432 4.56,433 0.24,434 0.191,435 0.225,436 1.133,437 1.261,438 0.999,439 1.082,440 1.256,441 1.029,442 0.601,443 1.1,444 0.924,445 1.18,446 0.483,447 1.111,448 1.011,449 1.097,450 1.005,451 1.054,452 0.908,453 1.032,454 1.215,455 1.209,456 1.003,457 1.017,458 1.087,459 0.984,460 1.388,461 1.121,462 0.999,463 0.879,464 1.095,465 0.881,466 1.214,467 1.122,468 1.057,469 1.018,470 1.052,471 1.015,472 1.375,473 0.795,474 1.095,475 0.79,476 1.047,477 0.886,478 1.092,479 0.932,480 0.962,481 0.882,482 0.954,483 0.9,484 3.5,485 0.054,486 1.556,487 0.875,488 0.582,489 0.493,490 0.183,491 0.128,492 0.152,493 0.066,494 3265,495 8481,496 1.882,497 51.3,498 5,499 6,501 1,502 6,504 2,506 1.595,507 1.754,508 3.349,509 3.904,511 1,513 1,514 56.077,515 1.438,516 3.6,517 4.446,518 4.856,519 4.907,520 4.907,521 2.786,522 3.932,523 4.216,524 3.498,525 598.103,526 7.145,527 6345.17,528 1,529 1,530 1,531 206.131,532 1.403,533 4.168,534 0.184,535 0.007,536 0.068,537 0.04,538 0.031,539 0.029,540 0.012,541 0.01,542 0.013,543 0.006,544 0.399,545 0.33,546 1,547 2.604,548 85.807,549 -0.103,550 0.107,551 -0.024,552 0.089,553 -0.234,554 0.05,555 0.265,556 0.086,557 0.03,558 -0.053,559 0.249,560 -0.047,561 -0.01,562 -0.047,563 -0.029,564 -0.048,565 0.005,566 -0.042,567 -0.138,568 -0.237,569 -0.013,570 -0.079,571 -0.086,572 -0.035,573 -0.191,574 -0.176,575 0.01,576 0.003,577 -0.09,578 0.032,579 -0.026,580 -0.131,581 -0.052,582 -0.109,583 0.014,584 -0.088,585 -0.129,586 0.161,587 -0.081,588 0.08,589 -0.099,590 0.016,591 -0.137,592 0.006,593 0.011,594 0.079,595 -0.076,596 0.069,597 1.635,598 2.35,599 0.316,600 16.183,601 0.995,602 1.151,603 2.425,604 5.88,605 0.625,606 2.996,607 3.178,608 3.258,609 3.332,610 3.434,611 3.332,612 3.258,613 3.091,614 3.091,615 2.996,616 6.077,617 0.585,618 260.39,619 2.996,620 4.443,621 5.198,622 5.994,623 6.774,624 7.577,625 8.368,626 9.175,627 9.973,628 10.783,629 15.4,630 2,631 1,636 3,639 4,641 2,643 6,647 39,648 9,649 1,650 19,651 39,652 13,653 6,654 2,655 4,656 2,657 1,658 1,659 1,660 1,661 1,663 2,664 9,665 4,666 3,667 1,669 1,670 2,671 2,672 1,673 1,674 20,675 6,676 6,677 6,680 6,681 1,682 1,689 1,694 2,700 1,702 1,703 19,704 2,706 3,707 1,716 10.833,717 6.733,718 4.528,719 2.26,720 2.082,721 1.365,722 0.932,723 6.611,724 7.789,725 3.258,726 3.701,727 4.099,728 4.529,729 4.975,730 5.072,731 5.313,732 5.286,733 5.494,734 5.657,735 0.857,736 22,737 6.921,739 2.654,740 7.851,741 13.025,743 9.552,745 2.351,746 44.667,747 0.001,748 164.795,749 73.551,750 148.803,753 73.551,754 164.795,755 148.803,756 8.825,757 72.969,758 55.793,759 23.146,760 71.492,761 1.899,762 153.024,763 164.795,764 222.354,767 141.253,768 23.542,770 164.803,771 48.503,772 9.047,774 164.795,775 148.803,776 73.551,777 164.795,778 17.773,779 55.778,780 17.888,781 130.915,782 164.795,783 148.803,784 73.551,785 0.546,786 0.29,787 0.137,788 0.074,789 7,790 4,791 0.179,792 7,794 1,795 3.213,796 114.184,798 6,799 80.711,801 15.188,802 8.27,803 6.02,805 148.803,806 7.227,808 1.495,810 115.355,811 387.149,812 25,813 7.35,815 1.606,816 8.085,817 0.33,818 38.796,819 44.896,820 0.272,821 0.681,822 0.841,823 0.919,824 0.928,825 0.928,826 4.413,827 0.643,828 5.118,829 2.241,830 3.85,831 4.382,832 1.435,833 5.759,834 3.782,835 5.569,836 -0.092,837 6.578,838 1.087,839 3.219,840 3.951,841 0.623,842 6.368,843 3.102,844 6.822,845 -0.418,846 8.139,847 -0.198,848 5.273,849 6.402,850 1.412,851 9.357,852 5.147,853 8.109,854 -0.715,855 9.761,856 -0.71,857 5.442,858 6.771,859 1.024,860 10.799,861 5.276,862 9.426,863 -0.863,864 11.422,865 -1.666,866 6.956,867 8.696,868 1.553,869 13.268,870 6.784,871 10.764,872 -1,873 13.109,874 -2,875 7.522,876 9.464,877 1.382,878 15.07,879 7.326,880 12.117,881 -1.233,882 14.814,883 -2.331,884 8.781,885 11.132,886 1.773,887 17.338,888 8.578,889 2.817,890 -1.414,891 16.534,892 -2.455,893 9.558,894 12.125,895 1.73,896 19.311,897 9.341,898 2.4,899 8.464,900 18.264,901 -3.386,902 10.692,903 13.654,904 2.039,905 21.497,906 10.468,907 2.261,908 6.545,909 20.002,910 3.812,911 11.583,912 14.781,913 2.077,914 23.553,915 11.35,916 1.621,917 6.065,918 21.747,919 3.066,920 12.657,921 16.231,922 2.335,923 25.706,924 12.417,925 1.414,926 3.21,927 23.497,928 2.949,929 13.61,930 17.439,931 2.426,932 27.803,933 13.364,934 1.062,935 3.031,936 25.253,937 2.071,938 14.657,939 18.844,940 2.653,941 29.944,942 14.404,943 1,944 2.326,945 27.012,946 1.649,947 15.645,948 20.102,949 2.777,950 32.06,951 15.384,952 3505,953 5762,954 12.019,955 24.364,956 27.053,957 26.71,958 27.512,959 26.46,960 26.439,961 34.271,962 3.858,963 65.937,964 25.481,965 4.951,966 4.972,967 5.887,968 4.815,969 4.817,970 6.812,971 2.129,972 14.273,973 4.779,974 10.98,975 1.424,976 1.406,977 1.448,978 1.393,979 1.392,980 1.804,981 0.203,982 3.47,983 1.341,984 3.947,985 3.981,986 3.893,987 3.88,988 5.88,989 3.879,990 3.729,991 3.806,992 3.614,993 3.556,994 5.161,995 3.549,996 3.514,997 3.605,998 3.391,999 3.258,1000 4.82,1001 3.289,1002 3.372,1003 3.461,1004 3.267,1005 3.141,1006 4.76,1007 3.164,1008 3.176,1009 3.27,1010 3.043,1011 2.961,1012 4.477,1013 2.968,1014 3.004,1015 3.116,1016 2.761,1017 2.771,1018 4.27,1019 2.757,1020 2.724,1021 2.821,1022 2.551,1023 2.5,1024 3.991,1025 2.504,1026 2.618,1027 2.739,1028 2.438,1029 2.346,1030 3.612,1031 2.357,1032 0.221,1033 0.156,1034 0.314,1035 0.2,1036 0.148,1037 4.204,1038 0.201,1039 2.972,1040 0.063,1041 5.975,1042 0.445,1043 3.803,1044 0.146,1045 2.817,1046 3.812,1047 1.2,1048 8.464,1049 2.779,1050 1.924,1051 1.898,1052 2.023,1053 2.015,1054 1.246,1055 2.018,1056 1.705,1057 1.634,1058 1.969,1059 1.908,1060 1.107,1061 1.927,1062 1.423,1063 1.338,1064 1.633,1065 1.725,1066 0.735,1067 1.706,1068 1.293,1069 1.217,1070 1.492,1071 1.578,1072 0.401,1073 1.56,1074 1.137,1075 1.052,1076 1.415,1077 1.411,1078 0.267,1079 1.43,1080 0.993,1081 0.894,1082 1.284,1083 1.288,1084 0.246,1085 1.3,1086 0.705,1087 0.609,1088 1.038,1089 0.981,1090 0.095,1091 1.009,1092 0.571,1093 0.463,1094 1.027,1095 0.931,1097 0.956,1098 3.664,1099 4.875,1101 6.263,1103 7.737,1105 9.259,1106 2.097,1107 11.039,1109 2.787,1110 2.651,1114 22.816,1115 56.077,1116 140.382,1117 173.376,1118 189.376,1119 191.376,1120 191.376,1121 36.564,1122 5.707,1123 112.64,1124 112.64,1125 6,1126 11.375,1127 3.322,1128 2.807,1129 46.036,1130 69,1131 74,1132 0.327,1133 151.279,1134 260.36,1135 360.88,1136 1819,1137 14.088,1138 0.741,1139 0.582,1140 14.088,1141 11.057,1142 9.13,1143 0.481,1144 0.325,1145 6.089,1146 8.804,1147 5.919,1148 5.055,1149 9.13,1150 6.166,1151 7.569,1152 0.329,1153 0.175,1154 7.569,1155 4.03,1156 5.376,1157 0.215,1158 0.095,1159 5.376,1160 2.384,1161 3.842,1162 0.142,1163 0.05,1164 3.842,1165 1.352,1166 2.825,1167 0.094,1168 0.027,1169 2.825,1170 0.797,1171 0.53,1172 57.056,1173 0.288,1174 19.779,1175 0.842,1176 84,1177 236.58,1178 92.132,1179 240.851,1180 322.17,1181 222,1182 90,1183 235.029,1184 97.299,1185 241.581,1186 337.6,1187 225,1188 6.796}
{0 CHEMBL151001,1 1.562,2 12.808,3 0.568,4 0.322,5 97.13,6 8.173,7 0.444,8 3.874,9 4.04,10 3.479,11 3.299,12 5.238,13 3.329,14 4.226,15 4.4,16 3.764,17 3.589,18 5.616,19 3.598,20 4.456,21 4.683,22 3.787,23 3.66,24 5.853,25 3.648,26 4.452,27 4.708,28 3.632,29 3.583,30 5.68,31 3.546,32 4.353,33 4.594,34 3.544,35 3.478,36 5.612,37 3.447,38 4.341,39 4.616,40 3.462,41 3.371,42 5.645,43 3.323,44 4.218,45 4.497,46 3.385,47 3.258,48 5.466,49 3.233,50 4.092,51 4.342,52 3.319,53 3.204,54 5.362,55 3.198,56 0.186,57 0.729,58 7.849,59 2.393,60 24.899,61 3.498,62 0.237,63 0.979,64 11.455,65 3.986,66 31.719,67 5.843,68 0.501,69 1.057,70 16.756,71 4.343,72 59.161,73 6.681,74 0.409,75 0.962,76 18.354,77 4.411,78 46.514,79 7.399,80 0.295,81 0.878,82 15.789,83 3.734,84 37.189,85 6.485,86 0.451,87 0.785,88 17.183,89 4.014,90 59.738,91 6.749,92 0.419,93 0.708,94 15.486,95 3.198,96 42.64,97 5.58,98 0.277,99 0.676,100 12.515,101 2.393,102 37.114,103 4.417,104 30,105 35,106 0.27,107 0.599,108 0.696,109 0.745,110 0.762,111 0.762,112 3.302,113 0.806,114 -1.86,115 -1.92,116 -1.93,117 34.9,126 6,129 4,134 2,137 2,138 1,141 2,142 2,143 2,147 2,150 4,152 4,155 5,158 2,159 2,164 2,165 4,166 2,167 8,169 4,172 2,174 1,175 2,177 2,179 6,182 2,186 2,190 6,193 2,196 2,197 8,199 6,203 2,204 2,208 4,209 4,210 2,214 2,218 4,224 2,228 8,231 4,235 1096,236 17.121,237 17.121,238 17.121,239 17.121,240 17.121,241 14.865,242 13.759,243 10.387,244 17.509,245 13.318,246 13.318,247 13.318,248 13.318,249 13.318,250 9.881,251 12.225,252 4.924,253 13.954,254 3.864,255 1.966,256 1.402,257 1.116,258 1.023,259 1.023,260 3.967,262 1,264 683,265 4.123,267 207.954,269 2.083,270 27.807,272 0.5,273 0.67,274 0.67,275 0.4,277 0.5,278 0.5,279 0.46,280 57.5,281 333,282 4.205,283 2.973,284 5.975,285 3.775,286 2.818,287 3.813,288 1.072,289 8.464,290 2.696,291 4.203,292 2.966,293 5.975,294 3.774,295 2.816,296 3.812,297 0.6,298 8.464,299 2.695,300 3.755,301 2.866,302 5.249,303 3.347,304 2.412,305 3.049,306 0.6,307 6.56,308 2.264,309 3.683,310 2.505,311 5.239,312 3.26,313 2.295,314 3.012,316 6.529,317 2.212,318 3.591,319 2.458,320 5.019,321 3.179,322 2.232,323 2.817,324 6.04,325 2.101,326 2.992,327 1.806,328 3.807,329 2.432,330 1.466,331 2.092,332 3.188,333 1.414,334 2.934,335 1.718,336 3.788,337 2.37,338 1.4,339 2.03,340 3.102,341 1.356,342 2.626,343 1.37,344 3.483,345 2.123,346 1.158,347 1.569,349 2.579,350 1.115,351 2.539,352 1.288,353 3.437,354 1.941,355 1,356 1.475,358 2.324,359 0.939,360 2.529,361 1.107,362 3.432,363 1.941,364 1,365 1.475,367 2.322,368 0.939,369 2.518,370 1.099,371 3.171,372 1.82,373 0.88,374 1.343,376 1.92,377 0.825,378 1.255,379 0.282,380 2.66,381 0.956,387 1.176,388 0.122,389 2.227,390 0.73,391 -0.24,392 -0.303,394 -0.549,395 -0.232,396 0.8,397 -0.353,398 2,399 0.258,400 -0.699,401 -0.937,403 -1.644,404 -0.668,405 0.786,406 -0.354,407 2,408 0.23,409 -0.725,410 -0.971,412 -1.686,413 -0.69,414 11.9,415 0.458,416 0.634,417 0.024,418 36.25,419 1.394,420 19.5,421 0.75,422 16.75,423 0.644,424 15.559,425 0.598,426 27.7,427 0.644,428 28.562,429 1.099,430 7.914,431 0.304,432 4.539,433 0.175,434 0.168,435 0.294,436 1.156,437 1.178,438 0.826,439 0.844,440 1.271,441 0.774,442 0.735,443 1.367,444 0.789,445 1.237,446 0.551,447 1.057,448 1.035,449 0.831,450 1.088,451 0.943,452 0.999,453 1.014,454 1.096,455 1.089,456 1.008,457 1.003,458 0.921,459 0.989,460 1.194,461 1.51,462 1.084,463 1.309,464 1.072,465 1.193,466 0.882,467 0.891,468 0.993,469 1,470 0.908,471 1.018,472 1.067,473 0.792,474 0.938,475 0.743,476 0.873,477 0.802,478 1.456,479 1.321,480 1.08,481 0.987,482 1.299,483 0.955,484 5.5,485 0.074,486 2.444,487 1.375,488 0.924,489 0.819,490 0.325,491 0.226,492 0.254,493 0.131,494 8939,495 30096,496 1.952,497 39.5,499 6,501 2,502 9,506 1.682,507 1.814,508 3.649,509 6.44,511 1,514 67.185,515 1.562,516 3.46,517 4.025,518 4.31,519 4.403,520 4.403,521 3.056,522 3.47,523 4.677,524 3.865,525 1256.08,526 8.052,527 17496.7,529 1,531 233.329,532 1.448,533 4.62,534 0.204,535 0.005,536 0.07,537 0.04,538 0.032,539 0.032,540 0.014,541 0.01,542 0.012,543 0.007,544 0.425,545 0.17,546 0.75,547 0.923,548 132.666,549 -0.226,550 0.087,551 -0.04,552 0.181,553 -0.379,554 0.122,555 0.121,556 -0.16,557 0.024,558 -0.175,559 0.156,560 -0.108,561 0.029,562 0.251,563 -0.17,564 -0.012,565 -0.033,566 -0.117,567 -0.116,568 -0.126,569 -0.024,570 -0.032,571 -0.084,572 -0.011,573 -0.232,574 -0.52,575 -0.128,576 -0.333,577 -0.15,578 -0.226,579 0.176,580 0.013,581 0.04,582 -0.076,583 0.079,584 -0.053,585 0.045,586 0.105,587 0.108,588 0.15,589 0.023,590 0.144,591 -0.38,592 -0.343,593 -0.101,594 -0.076,595 -0.247,596 -0.034,597 1.844,598 2.642,599 0.462,600 26.012,601 1.018,602 1.156,603 0.632,604 0.4,605 0.659,606 3.332,607 3.584,608 3.714,609 3.829,610 3.97,611 3.871,612 3.85,613 3.689,614 3.714,615 3.664,616 7.879,617 0.647,618 351.43,619 3.332,620 4.828,621 5.617,622 6.441,623 7.246,624 8.071,625 8.882,626 9.706,627 10.52,628 11.343,629 25.6,630 2,631 2,636 5,637 2,639 6,640 2,641 4,643 12,647 43,648 17,650 27,651 44,652 15,653 10,656 4,657 2,658 2,659 2,660 1,664 15,666 5,667 3,669 2,670 2,671 3,672 1,673 1,674 17,675 11,676 9,677 11,680 11,681 2,682 1,686 2,689 2,694 2,700 2,703 26,704 2,707 2,716 14.333,717 7.133,718 5.889,719 1.982,720 3.417,721 1.516,722 0.97,723 6.624,724 10.034,725 3.664,726 4.174,727 4.64,728 5.119,729 5.593,730 5.698,731 5.943,732 5.898,733 6.09,734 6.247,735 1,736 34,737 9.399,739 3.787,740 8.103,741 16.995,743 12.616,745 2.603,746 67.667,748 94.169,749 92.534,750 263.484,753 92.534,754 94.169,755 263.484,757 65.794,758 92.634,759 79.864,760 139.369,761 1.899,762 70.627,763 94.169,764 356.018,767 94.169,770 240.94,771 63.412,772 51.666,774 94.169,775 263.484,776 92.534,777 94.169,778 17.582,779 74.952,780 35.776,781 227.707,782 94.169,783 263.484,784 92.534,785 0.57,786 0.311,787 0.149,788 0.081,789 13,790 7,791 0.182,792 8,794 1,795 3.919,796 187.343,798 12,799 98.211,801 18.865,802 9.13,803 6.17,805 263.484,806 9.977,807 8.196,808 1.637,810 196.587,811 450.187,812 38,813 22.307,815 2.758,816 7.67,817 -0.457,818 43.771,819 49.727,820 0.288,821 0.638,822 0.742,823 0.794,824 0.811,825 0.811,826 4.852,827 1.158,828 5.572,829 3.102,830 4.263,831 4.86,832 1.435,833 6.267,834 4.17,835 6.044,836 1,837 7.069,838 2.579,839 3.761,840 4.511,841 0.623,842 6.963,843 3.603,844 7.317,845 1,846 8.662,847 2.324,848 5.753,849 6.939,850 1.121,851 9.947,852 5.57,853 8.621,854 0.88,855 10.31,856 2.322,857 6.019,858 7.355,859 0.819,860 11.43,861 5.767,862 9.951,864 11.991,865 1.92,866 7.492,867 9.273,868 1.029,869 13.903,870 7.217,871 11.299,872 -0.24,873 13.696,875 8.12,876 10.071,877 0.94,878 15.725,879 7.782,880 12.662,881 -0.699,882 15.416,883 -0.549,884 9.359,885 11.742,886 1.047,887 17.998,888 8.994,889 2.818,890 -0.725,891 17.148,892 -1.644,893 10.174,894 12.754,895 1.043,896 19.982,897 9.751,898 2.816,899 8.464,900 18.889,901 -1.686,902 11.301,903 14.289,904 1.113,905 22.172,906 10.846,907 2.412,908 8.464,909 20.636,910 3.813,911 12.215,912 15.429,913 1.141,914 24.234,915 11.708,916 2.295,917 6.56,918 22.389,919 3.812,920 13.289,921 16.885,922 1.198,923 26.39,924 12.746,925 2.232,926 6.529,927 24.147,928 3.049,929 14.257,930 18.101,931 1.24,932 28.489,933 13.665,934 1.466,935 6.04,936 25.908,937 3.012,938 15.306,939 19.511,940 1.294,941 30.632,942 14.676,943 1.4,944 3.188,945 27.673,946 2.817,947 16.303,948 20.774,949 1.342,950 32.75,951 15.626,952 8959,953 16576,954 17.394,955 28.347,956 40.187,957 39.456,958 40.249,959 38.993,960 38.956,961 52.973,962 4.544,963 102.982,964 37.108,965 5.002,966 4.973,967 5.575,968 4.825,969 4.818,970 6.813,971 1.744,972 14.274,973 4.652,974 15.33,975 1.488,976 1.461,977 1.491,978 1.444,979 1.443,980 1.962,981 0.168,982 3.814,983 1.374,984 3.934,985 3.981,986 3.89,987 3.814,988 5.887,989 3.826,990 3.896,991 3.938,992 3.853,993 3.785,994 5.877,995 3.796,996 3.595,997 3.689,998 3.54,999 3.295,1000 5.837,1001 3.345,1002 3.414,1003 3.499,1004 3.341,1005 3.194,1006 4.918,1007 3.22,1008 3.356,1009 3.446,1010 3.267,1011 3.111,1012 4.891,1013 3.143,1014 3.201,1015 3.293,1016 3.098,1017 2.955,1018 4.782,1019 2.979,1020 3.04,1021 3.118,1022 2.935,1023 2.842,1024 4.779,1025 2.857,1026 2.62,1027 2.73,1028 2.484,1029 2.379,1030 4.542,1031 2.388,1032 0.156,1033 0.11,1034 0.221,1035 0.14,1036 0.104,1037 4.205,1038 0.141,1039 2.973,1040 0.04,1041 5.975,1042 0.313,1043 3.775,1044 0.1,1045 2.818,1046 3.813,1047 1.072,1048 8.464,1049 2.696,1050 1.862,1051 1.825,1052 1.955,1053 2.005,1054 0.978,1055 1.99,1056 1.858,1057 1.822,1058 1.952,1059 1.993,1060 0.977,1061 1.982,1062 1.448,1063 1.364,1064 1.574,1065 1.783,1066 0.422,1067 1.731,1068 1.323,1069 1.255,1070 1.484,1071 1.604,1072 0.377,1073 1.577,1074 1.259,1075 1.179,1076 1.445,1077 1.559,1078 0.22,1079 1.538,1080 1.12,1081 1.037,1082 1.33,1083 1.41,1084 0.136,1085 1.392,1086 0.991,1087 0.918,1088 1.205,1089 1.229,1090 0.071,1091 1.229,1092 0.589,1093 0.49,1094 0.939,1095 0.922,1097 0.935,1098 4.007,1099 5.273,1101 6.713,1103 8.231,1105 9.79,1107 10.73,1110 4.848,1114 27.816,1115 67.185,1116 148.8,1117 173.065,1118 185.329,1119 189.329,1120 189.329,1121 50.945,1122 6.617,1123 198.15,1124 198.15,1125 12,1126 11.923,1127 4.17,1128 3.585,1129 55.598,1130 125,1131 92,1132 0.211,1133 182.405,1134 313.5,1135 436.827,1136 6887,1137 18.941,1138 0.728,1139 0.522,1140 18.941,1141 13.562,1142 12.452,1143 0.461,1144 0.269,1145 7.113,1146 11.856,1147 6.996,1148 5.891,1149 12.452,1150 7.251,1151 11.04,1152 0.315,1153 0.138,1154 11.04,1155 4.838,1156 8.151,1157 0.204,1158 0.071,1159 8.151,1160 2.84,1161 6.055,1162 0.135,1163 0.038,1164 6.055,1165 1.698,1166 4.664,1167 0.09,1168 0.02,1169 4.664,1170 1.028,1171 0.349,1172 78.883,1173 0.24,1174 26.127,1175 0.529,1176 124,1177 410.869,1178 139.736,1179 415.654,1180 557.74,1181 382,1182 137,1183 414.903,1184 152.265,1185 422.484,1186 595.52,1187 394,1188 6.921}
{0 CHEMBL151103,1 1.558,2 7.267,3 -0.67,4 0.449,5 56.659,6 7.895,7 0.4,8 3.369,9 3.548,10 2.929,11 2.746,12 4.756,13 2.778,14 3.688,15 3.877,16 3.185,17 3.021,18 5.128,19 3.022,20 3.887,21 4.117,22 3.132,23 3.079,24 5.28,25 3.051,26 3.887,27 4.164,28 2.939,29 2.966,30 5.042,31 2.905,32 3.694,33 3.946,34 2.82,35 2.809,36 4.943,37 2.758,38 3.628,39 3.904,40 2.678,41 2.681,42 4.9,43 2.602,44 3.496,45 3.787,46 2.49,47 2.474,48 4.759,49 2.41,50 3.294,51 3.595,52 2.264,53 2.208,54 4.61,55 2.149,56 0.125,57 0.41,58 5.188,59 1.219,60 19.095,61 2.158,62 0.166,63 0.529,64 7.341,65 2.308,66 26.042,67 3.64,68 0.274,69 0.543,70 9.874,71 2.267,72 38.764,73 3.942,74 0.22,75 0.464,76 11.162,77 2.313,78 28.15,79 4.521,80 0.179,81 0.397,82 8.596,83 1.866,84 23.115,85 3.557,86 0.193,87 0.334,88 8.527,89 2.036,90 26.529,91 3.633,92 0.193,93 0.271,94 7.715,95 1.383,96 26.492,97 2.811,98 0.17,99 0.202,100 6.41,101 0.992,102 26.994,103 2.169,104 24,105 19,106 0.312,107 0.728,108 0.848,109 0.909,110 0.909,111 0.909,112 2.791,113 0.806,114 -1.04,115 -1.14,116 -1.23,117 30.8,126 2,127 1,128 1,129 1,134 1,137 1,138 1,141 2,142 2,143 2,147 1,150 2,152 3,155 4,158 3,159 1,165 3,166 2,167 4,169 3,172 1,179 4,182 1,185 1,190 4,193 2,196 1,197 3,199 4,202 2,208 2,210 1,215 1,216 2,228 4,231 4,234 1,235 240,236 9.621,237 9.621,238 9.621,239 9.621,240 9.621,241 8.364,242 8.316,243 5.914,244 9.879,245 7.401,246 7.401,247 7.401,248 7.401,249 7.401,250 5.512,251 7.478,252 2.815,253 7.792,254 3.143,255 1.062,256 0.462,257 0.154,258 0.154,259 0.154,260 3.41,263 1,264 210,265 3.162,267 53.256,269 1.218,270 15.779,272 0.75,273 0.83,274 0.83,275 0.5,277 0.83,278 1,279 0.68,280 33.5,281 109,282 4.204,283 2.968,284 5.975,285 3.785,286 2.817,287 3.812,288 1.072,289 8.464,290 2.728,291 3.707,292 2.754,293 5.241,294 3.291,295 2.329,296 3.026,297 0.6,298 6.534,299 2.243,300 3.531,301 2.467,302 4.649,303 3.097,304 2.172,305 2.716,307 5.152,308 2.001,309 2.952,310 1.751,311 3.789,312 2.345,313 1.414,314 2.048,316 3.112,317 1.314,318 2.572,319 1.326,320 3.437,321 1.962,322 1,323 1.476,324 2.325,325 0.96,326 2.528,327 1.103,328 3.224,329 1.94,330 1,331 1.443,332 2.139,333 0.938,334 1.21,335 0.196,336 2.385,337 0.856,338 -0.105,339 -0.127,340 -0.245,341 -0.1,342 0.795,343 -0.353,344 2,345 0.246,346 -0.708,347 -0.941,349 -1.656,350 -0.673,351 0.649,352 -0.373,353 1.721,354 0.098,355 -0.858,356 -1.116,358 -2,359 -0.818,360 0.411,361 -0.58,362 1.423,363 -0.1,364 -1,365 -1.425,367 -2,368 -0.9,369 0.391,370 -0.766,371 1.247,372 -0.1,373 -1,374 -1.442,376 -2.348,377 -0.9,378 -0.236,379 -1.257,380 1,381 -0.46,382 -1.414,383 -1.778,385 -3.75,386 -1.347,387 -0.5,388 -1.567,389 1,390 -0.759,391 -1.721,392 -2.181,393 -0.4,394 -4.674,395 -1.646,396 -0.539,397 -1.769,398 0.49,399 -0.965,400 -1.926,401 -2.511,402 -0.6,403 -5.244,404 -1.855,405 -0.675,406 -2,407 0.418,408 -1.037,409 -2,410 -3,411 -0.672,412 -5.808,413 -1.943,414 6.8,415 0.453,416 0.408,417 0.027,418 20,419 1.333,420 10.5,421 0.7,422 9.5,423 0.633,424 7.545,425 0.503,426 16.6,427 0.638,428 13.507,429 0.9,430 4.478,431 0.299,432 2.614,433 0.174,434 0.235,435 0.294,436 1.277,437 1.238,438 0.889,439 0.832,440 1.363,441 0.779,442 0.637,443 1.219,444 0.777,445 1.195,446 0.458,447 1.038,448 1.156,449 0.928,450 1.198,451 1.041,452 1.131,453 1.12,454 1.023,455 1.157,456 0.922,457 1.009,458 0.759,459 0.95,460 1.038,461 1.299,462 1.06,463 1.245,464 0.98,465 1.168,466 0.686,467 1.014,468 0.921,469 1.169,470 0.822,471 1.107,472 1.041,473 0.952,474 1.027,475 0.964,476 1.145,477 0.989,478 1.098,479 0.926,480 1.048,481 0.923,482 1.25,483 0.968,484 3.5,486 1.333,487 0.75,488 0.502,489 0.438,490 0.183,491 0.128,492 0.14,494 1501,495 5831,496 1.852,497 42.3,499 2,501 2,502 7,506 1.526,507 1.698,508 2.911,509 5.523,514 40.506,515 1.558,516 3.639,517 4.239,518 4.547,519 4.547,520 4.547,521 2.289,522 3.19,523 3.876,524 3.039,525 319.143,526 6.475,527 2719.41,531 122.211,532 1.53,533 3.806,534 0.233,536 0.07,537 0.044,538 0.036,539 0.036,540 0.018,541 0.016,542 0.023,544 0.478,545 0.33,546 1,547 1.938,548 60.062,549 -0.333,550 0.069,551 -0.074,552 0.228,553 -0.449,554 0.147,555 0.2,556 0.038,557 0.053,558 -0.072,559 0.258,560 -0.046,561 -0.169,562 0.192,563 -0.309,564 -0.066,565 -0.182,566 -0.202,567 -0.145,568 -0.249,569 0.053,570 -0.005,571 -0.03,572 0.061,573 -0.138,574 -0.305,575 -0.127,576 -0.243,577 -0.129,578 -0.189,579 0.205,580 -0.107,581 0.057,582 -0.173,583 0.091,584 -0.101,585 -0.028,586 -0.112,587 -0.013,588 -0.071,589 -0.121,590 -0.042,591 -0.013,592 -0.139,593 -0.006,594 -0.093,595 -0.074,596 -0.053,597 1.91,598 2.178,599 0.4,600 9.867,601 1.018,602 1.166,603 -0.191,604 0.037,605 0.637,606 2.773,607 2.996,608 3.045,609 3.135,610 3.258,611 3.135,612 3.045,613 2.773,614 2.639,615 2.197,616 4.606,617 0.623,618 205.26,619 2.773,620 4.234,621 4.99,622 5.802,623 6.586,624 7.402,625 8.198,626 9.015,627 9.818,628 10.637,629 26.9,630 2,631 1,636 3,637 1,639 3,640 1,641 2,643 6,647 26,648 9,650 15,651 26,652 8,653 5,656 2,657 1,658 1,659 1,660 1,664 8,666 3,667 2,669 1,670 1,671 2,673 1,674 11,675 7,676 7,677 7,680 7,681 1,682 1,686 1,689 1,694 2,700 1,703 15,704 2,707 1,716 8.833,717 4.15,718 3.444,719 1.094,720 1.826,721 1.345,722 0.948,723 3.768,724 7.119,725 3.091,726 3.57,727 3.956,728 4.426,729 4.889,730 4.981,731 5.198,732 5.073,733 5.154,734 5.03,735 0.8,736 17,737 5.379,738 -0.001,739 2.094,740 8.244,741 9.608,743 6.877,744 -0.001,745 2.744,746 41.167,747 0.001,748 47.084,749 47.217,750 180.475,753 47.217,754 47.084,755 180.475,757 65.794,758 36.841,759 51.703,760 94.997,761 1.899,762 23.542,763 47.084,764 227.692,767 47.084,770 175.494,771 26.365,772 25.833,774 47.084,775 180.475,776 47.217,777 47.084,778 10.169,779 37.047,780 17.888,781 162.587,782 47.084,783 180.475,784 47.217,785 0.564,786 0.284,787 0.132,788 0.073,789 7,790 4,791 0.154,792 4,794 1,795 2.713,796 83.95,798 6,799 58.603,801 11.141,802 5.072,803 3.745,805 180.475,806 4.817,807 3.884,808 1.089,810 147.027,811 274.776,812 21,813 14.035,815 1.454,816 3.678,817 -0.35,818 26.48,819 30.319,820 0.331,821 0.774,822 0.902,823 0.967,824 0.967,825 0.967,826 4.256,827 -0.708,828 4.949,829 -0.245,830 3.664,831 4.248,832 1.247,833 5.617,834 3.57,835 5.443,836 -0.858,837 6.431,838 -1.656,839 3.219,840 3.951,841 0.623,842 6.304,843 3.074,844 6.711,845 -1,846 8.012,847 -2,848 5.118,849 6.294,850 1.032,851 9.254,852 4.949,853 8.008,854 -1,855 9.648,856 -2,857 5.398,858 6.724,859 0.819,860 10.729,861 5.185,862 9.33,863 -1.414,864 11.319,865 -2.348,866 6.832,867 8.607,868 0.995,869 13.196,870 6.598,871 10.67,872 -1.721,873 13.014,874 -3.75,875 7.46,876 9.406,877 0.94,878 15.018,879 7.189,880 12.024,881 -1.926,882 14.727,883 -4.674,884 8.681,885 11.062,886 1.036,887 17.29,888 8.386,889 2.817,890 -2,891 16.453,892 -5.244,893 9.492,894 12.073,895 1.043,896 19.277,897 9.167,898 2.329,899 8.464,900 18.189,901 -5.808,902 10.61,903 13.602,904 1.109,905 21.468,906 10.258,907 2.172,908 6.534,909 19.934,910 3.812,911 11.522,912 14.74,913 1.141,914 23.533,915 11.141,916 1.414,917 5.152,918 21.685,919 3.026,920 12.59,921 16.194,922 1.197,923 25.69,924 12.182,925 1,926 3.112,927 23.441,928 2.716,929 13.557,930 17.409,931 1.24,932 27.791,933 13.119,934 1,935 2.325,936 25.202,937 2.048,938 14.604,939 18.818,940 1.293,941 29.935,942 14.137,943 -0.105,944 2.139,945 26.967,946 1.476,947 15.601,948 20.081,949 1.342,950 32.053,951 15.105,952 1668,953 3346,954 9.246,955 16.563,956 22.189,957 21.618,958 22.232,959 21.481,960 21.465,961 29.042,962 3.344,963 55.451,964 20.367,965 4.879,966 4.968,967 5.557,968 4.822,969 4.817,970 6.812,971 1.744,972 14.272,973 4.671,974 9.088,975 1.479,976 1.441,977 1.482,978 1.432,979 1.431,980 1.936,981 0.223,982 3.697,983 1.358,984 3.919,985 3.962,986 3.874,987 3.81,988 5.891,989 3.82,990 3.559,991 3.66,992 3.492,993 3.242,994 5.879,995 3.294,996 3.371,997 3.462,998 3.283,999 3.121,1000 4.897,1001 3.154,1002 3.097,1003 3.196,1004 2.994,1005 2.842,1006 4.801,1007 2.865,1008 2.723,1009 2.817,1010 2.553,1011 2.503,1012 4.771,1013 2.509,1014 2.544,1015 2.699,1016 2.376,1017 2.162,1018 4.556,1019 2.202,1020 2.435,1021 2.611,1022 2.134,1023 1.93,1024 3.705,1025 1.951,1026 2.373,1027 2.52,1028 2.108,1029 1.888,1030 3.557,1031 1.915,1032 0.28,1033 0.198,1034 0.398,1035 0.252,1036 0.188,1037 4.204,1038 0.254,1039 2.968,1040 0.071,1041 5.975,1042 0.564,1043 3.785,1044 0.182,1045 2.817,1046 3.812,1047 1.072,1048 8.464,1049 2.728,1050 1.866,1051 1.832,1052 1.955,1053 2,1054 0.999,1055 1.989,1056 1.409,1057 1.317,1058 1.562,1059 1.765,1060 0.296,1061 1.716,1062 1.274,1063 1.193,1064 1.461,1065 1.575,1066 0.243,1067 1.553,1068 1.011,1069 0.927,1070 1.24,1071 1.323,1072 0.064,1073 1.302,1074 0.706,1075 0.611,1076 1.037,1077 0.978,1079 1.007,1080 0.441,1081 0.295,1082 0.879,1083 0.916,1085 0.92,1086 0.341,1087 0.157,1088 0.811,1089 0.833,1091 0.841,1092 0.269,1093 0.103,1094 0.668,1095 0.7,1097 0.701,1098 3.434,1099 4.673,1101 6.084,1103 7.578,1105 9.118,1107 10.293,1110 2.268,1114 16.203,1115 40.506,1116 94.602,1117 110.211,1118 118.211,1119 118.211,1120 118.211,1121 22.479,1122 5.293,1123 137.02,1124 137.02,1125 6,1126 11.223,1127 3.322,1128 2.807,1129 31.317,1130 40,1131 37,1132 0.391,1133 110.111,1134 184.86,1135 260.432,1136 959,1137 11.259,1138 0.751,1139 0.524,1140 11.259,1141 7.859,1142 7.092,1143 0.473,1144 0.269,1145 3.945,1146 6.723,1147 3.872,1148 3.284,1149 7.092,1150 4.029,1151 6.361,1152 0.335,1153 0.141,1154 6.361,1155 2.672,1156 4.16,1157 0.208,1158 0.073,1159 4.16,1160 1.459,1161 3.015,1162 0.137,1163 0.039,1164 3.015,1165 0.851,1166 2.265,1167 0.091,1168 0.02,1169 2.265,1170 0.511,1171 0.607,1172 45.116,1173 0.329,1174 15.529,1175 1.071,1176 68,1177 232.913,1178 77.159,1179 237.264,1180 311.68,1181 216,1182 73,1183 226.508,1184 81.021,1185 232.222,1186 322.21,1187 215,1188 6.481}
{0 CHEMBL151196,1 1.482,2 7.176,3 0.474,4 0.224,5 67.749,6 7.04,7 0.353,8 3.568,9 3.742,10 3.035,11 3.007,12 4.842,13 2.99,14 3.956,15 4.162,16 3.308,17 3.322,18 5.2,19 3.263,20 4.178,21 4.419,22 3.341,23 3.41,24 5.37,25 3.346,26 4.203,27 4.455,28 3.263,29 3.393,30 5.314,31 3.314,32 4.187,33 4.438,34 3.224,35 3.377,36 5.254,37 3.28,38 4.204,39 4.468,40 3.129,41 3.308,42 5.346,43 3.189,44 4.222,45 4.535,46 2.805,47 3.131,48 5.35,49 2.968,50 4.043,51 4.415,52 2.331,53 2.781,54 4.946,55 2.559,56 0.092,57 0.508,58 7.399,59 2.215,60 17.792,61 3.602,62 0.128,63 0.688,64 11.178,65 4.118,66 26.366,67 6.163,68 0.203,69 0.772,70 14.678,71 3.888,72 36.001,73 6.681,74 0.175,75 0.756,76 15.185,77 3.78,78 31.448,79 6.79,80 0.117,81 0.733,82 14.794,83 4.18,84 24.96,85 7.191,86 0.167,87 0.691,88 15.305,89 4.138,90 35.584,91 7.169,92 0.278,93 0.582,94 16.514,95 3.448,96 52.541,97 6.612,98 0.206,99 0.392,100 14.45,101 2.967,102 40.618,103 5.849,104 38,105 22,106 0.28,107 0.657,108 0.758,109 0.835,110 0.847,111 0.847,112 2.907,113 0.908,114 -3.1,115 -3.1,116 -2.98,117 33.3,118 1,119 1,126 4,127 2,136 1,137 1,138 1,141 3,142 3,143 3,144 1,150 7,152 2,153 2,154 2,155 2,156 2,158 3,159 7,161 1,163 1,165 5,166 2,167 2,169 4,171 6,172 2,175 5,179 4,181 4,182 2,186 3,190 6,192 3,193 5,195 1,196 1,197 2,199 8,201 1,202 7,206 1,207 2,209 6,212 5,218 2,222 2,228 4,231 6,234 2,235 339,236 10.991,237 10.991,238 10.991,239 10.991,240 10.991,241 9.565,242 11.405,243 6.59,244 11.192,245 8.299,246 8.299,247 8.299,248 8.299,249 8.299,250 6.216,251 12.805,252 3.015,253 8.602,254 3.563,255 1.572,256 1.038,257 0.629,258 0.568,259 0.568,260 3.529,262 1,263 1,264 234,265 3.606,267 61.875,269 1.149,270 15.614,272 0.75,273 0.83,274 0.83,275 0.7,277 0.83,278 1,279 0.71,280 37,281 122,282 4.304,283 3.185,284 6.203,285 3.913,286 2.926,287 3.906,288 1.072,289 9.247,290 2.887,291 3.951,292 2.897,293 5.834,294 3.551,295 2.58,296 3.326,297 0.782,298 7.884,299 2.505,300 3.619,301 2.715,302 4.686,303 3.101,304 2.184,305 2.874,306 0.6,307 5.208,308 2.002,309 3.153,310 1.981,311 4.352,312 2.644,313 1.675,314 2.316,316 4.144,317 1.619,318 2.654,319 1.358,320 3.7,321 2.157,322 1.172,323 1.661,324 2.771,325 1.153,326 2.529,327 1.102,328 3.435,329 1.971,330 1,331 1.475,332 2.322,333 0.968,334 1.776,335 0.957,336 2.878,337 1.649,338 0.674,339 0.711,340 1.21,341 0.656,342 1.131,343 0.165,344 2.471,345 0.915,346 -0.067,347 -0.075,349 -0.11,350 -0.065,351 0.801,352 -0.353,353 2,354 0.291,355 -0.693,356 -0.929,358 -1.643,359 -0.68,360 0.653,361 -0.514,362 1.862,363 0.134,364 -0.851,365 -1,367 -2,368 -0.836,369 0.41,370 -0.6,371 1.558,372 -0.1,373 -1,374 -1.181,376 -2,377 -0.9,378 0.161,379 -0.716,380 1.35,381 -0.1,382 -1,383 -1.431,385 -2.425,386 -0.9,388 -0.898,389 1,390 -0.279,391 -1.224,392 -1.669,394 -3.064,395 -1.162,396 -0.422,397 -1.334,398 1,399 -0.658,400 -1.649,401 -1.991,402 -0.4,403 -4.562,404 -1.633,405 -0.5,406 -1.565,407 0.759,408 -0.824,409 -1.8,410 -2.283,411 -0.6,412 -5.24,413 -1.733,414 7.9,415 0.465,416 0.459,417 0.027,418 20.5,419 1.206,420 10.5,421 0.618,422 10,423 0.588,424 11.505,425 0.677,426 19.1,427 0.579,428 14.555,429 0.856,430 4.412,431 0.26,432 3.629,433 0.213,434 0.266,435 0.316,436 1.207,437 1.092,438 0.972,439 0.914,440 1.384,441 0.905,442 0.344,443 1.09,444 0.736,445 1.165,446 0.332,447 1.036,448 1.121,449 1.038,450 1.032,451 0.986,452 0.991,453 0.993,454 1.264,455 1.139,456 1.101,457 1.033,458 1.006,459 1.039,460 0.924,461 1.312,462 1.003,463 1.233,464 0.819,465 1.145,466 0.866,467 1.294,468 1.089,469 1.335,470 0.87,471 1.261,472 1.251,473 0.925,474 1.22,475 1.026,476 1.321,477 1.106,478 0.953,479 0.724,480 0.804,481 0.673,482 1.079,483 0.708,484 4,486 2,487 0.875,488 0.702,489 0.75,490 0.304,491 0.128,492 0.14,494 1943,495 6167,496 1.838,497 48.5,498 3,499 4,502 7,503 2,506 1.573,507 1.672,508 2.899,509 5.159,511 1,514 48.901,515 1.482,516 3.472,517 4.006,518 4.415,519 4.476,520 4.476,521 2.278,522 3.735,523 4.057,524 3.017,525 410.315,526 6.877,527 3795.93,529 1,531 166.465,532 1.566,533 3.976,534 0.235,536 0.091,537 0.04,538 0.035,539 0.039,540 0.019,541 0.013,542 0.023,544 0.496,545 0.33,546 1,547 1.923,548 70.583,549 -0.197,550 0.251,551 -0.053,552 0.209,553 -0.356,554 0.116,555 0.392,556 0.107,557 0.166,558 0.006,559 0.358,560 0.042,561 -0.111,562 0.076,563 -0.08,564 0.031,565 -0.087,566 -0.013,567 -0.269,568 -0.068,569 -0.146,570 -0.031,571 -0.178,572 -0.063,573 -0.091,574 -0.267,575 -0.07,576 -0.176,577 -0.068,578 -0.127,579 0.034,580 -0.292,581 -0.141,582 -0.328,583 0.037,584 -0.272,585 -0.148,586 -0.061,587 -0.219,588 -0.164,589 -0.172,590 -0.198,591 -0.007,592 -0.081,593 0.219,594 0.164,595 -0.033,596 0.221,597 1.751,598 2.371,599 0.353,600 11.467,601 1.001,602 1.154,603 1.872,604 3.504,605 0.632,606 2.89,607 3.135,608 3.258,609 3.367,610 3.526,611 3.466,612 3.332,613 3.045,614 2.773,615 2.197,616 4.595,617 0.599,618 232.33,619 2.89,620 4.369,621 5.153,622 5.984,623 6.799,624 7.635,625 8.461,626 9.299,627 10.131,628 10.97,629 18.2,630 3,636 3,639 4,641 2,643 6,644 1,647 33,648 9,649 1,650 17,651 33,652 11,653 6,654 2,655 4,656 3,657 1,658 1,660 1,661 1,663 1,664 9,665 2,666 3,667 1,670 2,671 3,673 1,674 16,675 6,676 7,677 6,680 6,681 1,682 1,689 1,694 3,700 1,702 1,703 17,704 3,706 1,716 10.167,717 5.733,718 3.972,719 1.758,720 1.923,721 1.349,722 0.945,723 4.666,724 7.437,725 3.178,726 3.701,727 4.147,728 4.616,729 5.114,730 5.27,731 5.502,732 5.509,733 5.57,734 5.411,735 0.8,736 22,737 6.153,739 2.395,740 8.02,741 11.327,743 8.337,745 2.52,746 42.833,747 0.001,748 105.94,749 62.62,750 163.69,753 62.62,754 105.94,755 163.69,756 8.825,757 101.226,758 37.905,759 5.085,760 71.369,761 1.899,762 105.94,763 105.94,764 226.309,767 105.94,770 175.049,771 51.26,774 105.94,775 163.69,776 62.62,777 105.94,778 15.889,779 46.73,781 163.69,782 105.94,783 163.69,784 62.62,785 0.565,786 0.307,787 0.149,788 0.086,789 8,790 5,791 0.121,792 4,794 1,795 2.814,796 104.374,798 6,799 67.487,801 13.196,802 6.011,803 3.886,805 163.69,806 7.232,808 1.499,810 130.364,811 332.249,812 23,813 7.371,816 7.578,817 0.671,818 33.029,819 38.066,820 0.294,821 0.688,822 0.794,823 0.875,824 0.887,825 0.887,826 4.363,827 -0.067,828 5.13,829 1.21,830 3.807,831 4.382,832 1.548,833 5.861,834 3.744,835 5.573,836 -0.693,837 6.655,838 -0.11,839 3.434,840 4.159,841 0.623,842 6.706,843 3.319,844 6.868,845 -0.851,846 8.282,847 -1.643,848 5.323,849 6.491,850 1.269,851 9.686,852 5.216,853 8.196,854 -1,855 9.966,856 -2,857 5.707,858 6.998,859 0.819,860 11.319,861 5.56,862 9.549,863 -1,864 11.686,865 -2,866 7.117,867 8.857,868 1.152,869 13.825,870 6.977,871 10.92,872 -1.224,873 13.43,874 -2.425,875 7.843,876 9.72,877 0.94,878 15.778,879 7.678,880 12.304,881 -1.649,882 15.191,883 -3.064,884 9.053,885 11.354,886 1.131,887 18.106,888 8.887,889 2.926,890 -1.8,891 16.963,892 -4.562,893 9.945,894 12.417,895 1.043,896 20.199,897 9.764,898 2.58,899 9.247,900 18.745,901 -5.24,902 11.066,903 13.93,904 1.164,905 22.455,906 10.88,907 2.184,908 7.884,909 20.533,910 3.906,911 12.042,912 15.112,913 1.141,914 24.612,915 11.843,916 1.675,917 5.208,918 22.326,919 3.326,920 13.126,921 16.557,922 1.228,923 26.841,924 12.92,925 1.172,926 4.144,927 24.123,928 2.874,929 14.144,930 17.809,931 1.24,932 29.028,933 13.926,934 1,935 2.771,936 25.923,937 2.316,938 15.212,939 19.216,940 1.311,941 31.247,942 14.987,943 0.674,944 2.322,945 27.725,946 1.661,947 16.252,948 20.512,949 1.342,950 33.449,951 16.015,952 2167,953 3926,954 10.345,955 20.841,956 25.031,957 24.619,958 25.94,959 24.464,960 24.421,961 32.537,962 4.908,963 65.572,964 23.58,965 5.013,966 5.185,967 5.755,968 4.913,969 4.926,970 6.906,971 1.854,972 15.515,973 4.887,974 10.946,975 1.472,976 1.448,977 1.526,978 1.439,979 1.437,980 1.914,981 0.289,982 3.857,983 1.387,984 3.962,985 3.996,986 3.911,987 3.896,988 5.88,989 3.895,990 3.626,991 3.706,992 3.556,993 3.437,994 5.352,995 3.446,996 3.441,997 3.539,998 3.321,999 3.145,1000 4.815,1001 3.187,1002 3.327,1003 3.42,1004 3.19,1005 3.099,1006 4.75,1007 3.115,1008 2.968,1009 3.059,1010 2.792,1011 2.795,1012 4.659,1013 2.783,1014 2.708,1015 2.804,1016 2.534,1017 2.483,1018 4.488,1019 2.487,1020 2.608,1021 2.803,1022 2.401,1023 2.311,1024 3.956,1025 2.316,1026 2.566,1027 2.677,1028 2.27,1029 2.061,1030 3.611,1031 2.083,1032 0.253,1033 0.187,1034 0.365,1035 0.23,1036 0.172,1037 4.304,1038 0.23,1039 3.185,1040 0.063,1041 6.203,1042 0.544,1043 3.913,1044 0.17,1045 2.926,1046 3.906,1047 1.072,1048 9.247,1049 2.887,1050 1.937,1051 1.911,1052 2.037,1053 2.027,1054 1.169,1055 2.031,1056 1.575,1057 1.509,1058 1.823,1059 1.802,1060 0.965,1061 1.795,1062 1.342,1063 1.24,1064 1.543,1065 1.676,1066 0.343,1067 1.667,1068 1.253,1069 1.174,1070 1.454,1071 1.546,1072 0.26,1073 1.533,1074 0.955,1075 0.882,1076 1.222,1077 1.195,1078 0.101,1079 1.205,1080 0.693,1081 0.595,1082 1.037,1083 1.057,1084 0.077,1085 1.064,1086 0.54,1087 0.435,1088 1.021,1089 0.967,1091 0.996,1092 0.508,1093 0.307,1094 0.941,1095 0.858,1097 0.879,1098 3.555,1099 4.812,1101 6.256,1103 7.784,1105 9.361,1106 1.946,1107 15.859,1109 0.679,1114 19.762,1115 48.901,1116 114.591,1117 132.2,1118 145.71,1119 147.71,1120 147.71,1121 30.812,1122 5.513,1123 126.63,1124 126.63,1125 6,1126 11.537,1127 3.322,1128 2.807,1129 37.898,1130 45,1131 43,1132 0.422,1133 132.094,1134 225.76,1135 314.07,1136 1207,1137 12.836,1138 0.755,1139 0.567,1140 12.836,1141 9.643,1142 8.041,1143 0.473,1144 0.303,1145 5.08,1146 7.749,1147 4.925,1148 4.191,1149 8.041,1150 5.145,1151 7.07,1152 0.321,1153 0.155,1154 7.07,1155 3.42,1156 5.004,1157 0.2,1158 0.085,1159 5.004,1160 2.128,1161 3.621,1162 0.129,1163 0.047,1164 3.621,1165 1.317,1166 2.819,1167 0.085,1168 0.025,1169 2.819,1170 0.819,1171 0.64,1172 50.308,1173 0.311,1174 17.121,1175 1.213,1176 78,1177 227.56,1178 85.771,1179 234.373,1180 314.16,1181 214,1182 86,1183 235.124,1184 92.633,1185 241.469,1186 337.84,1187 225,1188 7.056}
{0 CHEMBL151197,1 1.522,2 7.222,3 0.812,4 0.659,5 66.912,6 8.01,7 0.632,8 3.511,9 3.662,10 3.11,11 3.031,12 4.842,13 3.037,14 3.878,15 4.034,16 3.442,17 3.347,18 5.246,19 3.337,20 4.118,21 4.328,22 3.486,23 3.426,24 5.485,25 3.4,26 4.104,27 4.336,28 3.324,29 3.36,30 5.327,31 3.315,32 4.033,33 4.257,34 3.238,35 3.308,36 5.237,37 3.242,38 3.978,39 4.226,40 3.073,41 3.179,42 5.25,43 3.085,44 3.837,45 4.11,46 2.807,47 2.945,48 5.025,49 2.855,50 3.606,51 3.883,52 2.495,53 2.653,54 4.807,55 2.536,56 0.076,57 0.504,58 5.463,59 1.948,60 17.991,61 2.62,62 0.082,63 0.715,64 8,65 3.356,66 21.857,67 4.588,68 0.256,69 0.826,70 11.786,71 3.732,72 39.995,73 5.305,74 0.195,75 0.768,76 12.326,77 3.52,78 31.644,79 5.239,80 0.121,81 0.71,82 11.28,83 3.85,84 25.568,85 5.65,86 0.207,87 0.634,88 11.286,89 3.814,90 33.635,91 5.569,92 0.161,93 0.519,94 10.461,95 2.838,96 28.546,97 4.43,98 0.096,99 0.394,100 8.319,101 2.432,102 22.462,103 3.836,104 21,105 26,106 0.288,107 0.569,108 0.629,109 0.689,110 0.714,111 0.714,112 2.96,113 0.823,114 -2.15,115 -2.2,116 -2.17,117 40,126 6,129 4,137 2,141 2,142 2,143 2,150 4,152 4,155 2,158 2,159 2,164 1,165 4,166 2,167 4,169 4,171 1,172 2,175 2,179 4,181 2,182 2,186 2,190 4,192 3,193 2,196 2,197 4,199 4,201 2,202 2,209 4,211 1,212 2,218 4,222 2,228 4,231 4,234 1,235 352,236 11.776,237 11.776,238 11.776,239 11.776,240 11.776,241 10.103,242 7.025,243 6.941,244 11.981,245 9.357,246 9.357,247 9.357,248 9.357,249 9.357,250 6.82,251 7.956,252 3.253,253 9.717,254 3.385,255 1.901,256 1.584,257 1.267,258 1.133,259 1.133,260 3.612,262 1,263 1,264 264,265 2.828,267 114.488,269 1.136,270 19.802,272 0.75,273 0.83,274 0.83,275 0.5,277 0.83,278 1,279 0.68,280 39,281 130,282 4.352,283 3.047,284 6.255,285 3.938,286 2.977,287 4.017,288 0.6,289 9.447,290 2.859,291 4.109,292 2.923,293 5.936,294 3.689,295 2.732,296 3.651,297 0.6,298 8.265,299 2.613,300 3.808,301 2.645,302 5.763,303 3.431,304 2.465,305 3.155,307 7.623,308 2.377,309 3.226,310 1.914,311 4.451,312 2.698,313 1.732,314 2.481,316 4.373,317 1.671,318 2.872,319 1.557,320 3.801,321 2.35,322 1.374,323 1.985,324 3.067,325 1.339,326 2.539,327 1.175,328 3.618,329 1.967,330 1,331 1.5,332 2.525,333 0.965,334 2.53,335 1.115,336 3.437,337 1.941,338 1,339 1.475,340 2.323,341 0.939,342 2.5,343 1,344 3.433,345 1.94,346 1,347 1.47,349 2.319,350 0.937,351 0.936,352 -0.352,353 2.517,354 0.495,355 -0.483,356 -0.656,358 -1.198,359 -0.472,360 0.755,361 -0.354,362 2,363 0.229,364 -0.732,365 -0.964,367 -1.802,368 -0.702,369 0.691,370 -0.481,371 2,372 0.168,373 -0.792,374 -1.038,376 -2,377 -0.759,378 0.5,379 -0.69,380 1.718,381 -0.025,382 -1,383 -1.427,385 -2,386 -0.9,387 0.41,388 -0.758,389 1.495,390 -0.1,391 -1,392 -1.431,394 -2.25,395 -0.9,396 0.406,397 -1,398 1.382,399 -0.1,400 -1,401 -1.5,403 -2.723,404 -0.973,405 -0.423,406 -1.563,407 1.284,408 -0.627,409 -1.616,410 -2.056,412 -5.232,413 -1.597,414 8.4,415 0.467,416 0.511,417 0.028,418 26.5,419 1.472,420 15,421 0.833,422 11.5,423 0.639,424 9.498,425 0.528,426 18.6,427 0.62,428 18.334,429 1.019,430 5.539,431 0.308,432 3.037,433 0.169,434 0.19,435 0.357,436 1.245,437 1.071,438 0.832,439 0.762,440 1.323,441 0.729,442 0.605,443 1.324,444 0.705,445 1.166,446 0.463,447 0.99,448 0.966,449 0.892,450 0.979,451 0.929,452 0.92,453 0.951,454 1.339,455 1.056,456 1.092,457 0.932,458 1.029,459 0.961,460 0.917,461 1.239,462 0.986,463 1.19,464 0.9,465 1.116,466 0.672,467 0.868,468 1.034,469 1.124,470 0.763,471 1.141,472 1.223,473 1.019,474 1.105,475 0.984,476 1.154,477 1.016,478 0.943,479 1.316,480 1.069,481 1.301,482 1.199,483 1.224,484 4,486 2.222,487 1,488 0.764,489 0.778,490 0.245,491 0.194,492 0.18,494 2471,495 8067,496 1.963,497 40,499 6,502 6,506 1.589,507 1.8,508 2.933,509 4.004,511 1,513 1,514 45.658,515 1.522,516 3.006,517 3.323,518 3.64,519 3.774,520 3.774,521 2.281,522 2.503,523 4.144,524 3.018,525 461.681,526 7.042,527 4345.14,529 1,531 147.207,532 1.53,533 4.076,534 0.211,536 0.085,537 0.038,538 0.035,539 0.039,540 0.015,541 0.016,542 0.023,544 0.462,545 0.5,546 1,547 1.066,548 75.768,549 -0.338,550 0.122,551 -0.051,552 0.221,553 -0.418,554 0.152,555 0.171,556 -0.198,557 0.096,558 -0.139,559 0.206,560 -0.053,561 0.086,562 0.182,563 -0.077,564 0.004,565 0.008,566 -0.054,567 -0.325,568 -0.047,569 -0.153,570 0.012,571 -0.195,572 -0.03,573 -0.09,574 -0.268,575 -0.06,576 -0.18,577 -0.075,578 -0.126,579 0.225,580 0.072,581 -0.063,582 -0.132,583 0.126,584 -0.147,585 -0.219,586 -0.127,587 -0.077,588 -0.032,589 -0.154,590 -0.029,591 -0.026,592 -0.477,593 -0.027,594 -0.323,595 -0.065,596 -0.201,597 1.764,598 2.346,599 0.667,600 11.062,601 1.009,602 1.141,603 0.922,604 0.849,605 0.677,606 2.996,607 3.296,608 3.497,609 3.664,610 3.892,611 3.85,612 3.912,613 3.807,614 3.761,615 3.611,616 4.58,617 0.657,618 240.3,619 2.996,620 4.511,621 5.333,622 6.188,623 7.034,624 7.892,625 8.745,626 9.603,627 10.46,628 11.319,629 20,630 2,636 2,637 2,639 6,640 2,641 4,643 12,647 30,648 14,650 19,651 31,652 12,653 10,656 2,657 2,658 2,664 12,666 2,667 2,671 2,673 1,674 12,675 6,676 6,677 6,680 6,681 2,682 1,686 2,689 2,694 2,700 2,703 18,704 2,716 10,717 5.067,718 4,719 1.457,720 2.519,721 1.414,722 0.998,723 3.24,724 8.606,725 3.332,726 3.912,727 4.46,728 4.992,729 5.564,730 5.752,731 6.167,732 6.36,733 6.668,734 6.865,735 0.8,736 26,737 6.533,739 2.706,740 8.056,741 11.939,743 9.247,745 2.556,746 46,748 70.627,749 72.54,750 162.709,753 72.54,754 70.627,755 162.709,757 65.794,758 56.857,759 38.227,760 74.371,762 70.627,763 70.627,764 235.25,767 70.627,770 140.165,771 61.513,772 33.571,774 70.627,775 162.709,776 72.54,777 70.627,778 15.683,779 56.857,781 162.709,782 70.627,783 162.709,784 72.54,785 0.583,786 0.331,787 0.161,788 0.092,789 12,790 6,791 0.097,792 3,794 1,795 2.956,796 123.567,798 12,799 57.059,801 12.052,802 4.839,803 2.653,805 162.709,806 10.334,807 8.439,808 1.96,810 129.138,811 305.876,812 27,813 14.692,817 -0.195,818 30.262,819 34.235,820 0.31,821 0.613,822 0.677,823 0.742,824 0.769,825 0.769,826 4.533,827 1,828 5.323,829 2.323,830 3.97,831 4.595,832 0.892,833 6.098,834 3.893,835 5.751,836 -0.483,837 6.872,838 2.319,839 3.611,840 4.369,842 6.963,843 3.476,844 7.052,845 -0.732,846 8.521,847 -1.198,848 5.533,849 6.759,850 0.418,851 9.989,852 5.38,853 8.386,854 -0.792,855 10.226,856 -1.802,857 5.943,858 7.292,860 11.626,861 5.726,862 9.748,863 -1,864 11.964,865 -2,866 7.378,867 9.188,868 0.171,869 14.156,870 7.143,871 11.129,872 -1,873 13.723,874 -2,875 8.128,876 10.086,878 16.106,879 7.833,880 12.526,881 -1,882 15.496,883 -2.25,884 9.356,885 11.746,886 0.065,887 18.447,888 9.035,889 2.977,890 -1.616,891 17.278,892 -2.723,893 10.267,894 12.843,896 20.539,897 9.892,898 2.732,899 9.447,900 19.067,901 -5.232,902 11.402,903 14.376,904 0.024,905 22.806,906 10.996,907 2.465,908 8.265,909 20.861,910 4.017,911 12.392,912 15.587,914 24.966,915 11.937,916 1.732,917 7.623,918 22.658,919 3.651,920 13.488,921 17.051,922 0.009,923 27.205,924 12.998,925 1.374,926 4.373,927 24.457,928 3.155,929 14.517,930 18.329,932 29.399,933 13.982,934 1,935 3.067,936 26.259,937 2.481,938 15.597,939 19.754,940 0.003,941 31.63,942 15.024,943 1,944 2.525,945 28.063,946 1.985,947 16.648,948 21.073,950 33.843,951 16.032,952 2581,953 4734,954 12.137,955 20.318,956 29.134,957 28.563,958 29.595,959 28.581,960 28.559,961 39.469,962 2.4,963 79.884,964 27.402,965 5.028,966 5.047,967 5.804,968 4.985,969 4.977,970 7.017,971 1.2,972 15.88,973 4.829,974 10.12,975 1.533,976 1.503,977 1.558,978 1.504,979 1.503,980 2.077,981 0.126,982 4.204,983 1.442,984 3.986,985 4.025,986 3.949,987 3.883,988 5.887,989 3.894,990 3.774,991 3.82,992 3.722,993 3.661,994 5.877,995 3.669,996 3.387,997 3.474,998 3.305,999 3.168,1000 4.933,1001 3.193,1002 3.301,1003 3.392,1004 3.193,1005 3.066,1006 4.803,1007 3.089,1008 2.884,1009 2.943,1010 2.78,1011 2.749,1012 4.777,1013 2.751,1014 2.605,1015 2.725,1016 2.446,1017 2.363,1018 4.627,1019 2.364,1020 2.603,1021 2.724,1022 2.445,1023 2.313,1024 3.851,1025 2.336,1026 2.41,1027 2.561,1028 2.249,1029 2.119,1030 3.772,1031 2.151,1032 0.229,1033 0.16,1034 0.329,1035 0.207,1036 0.157,1037 4.352,1038 0.211,1039 3.047,1040 0.032,1041 6.255,1042 0.497,1043 3.938,1044 0.15,1045 2.977,1046 4.017,1047 0.6,1048 9.447,1049 2.859,1050 1.929,1051 1.896,1052 2.009,1053 2.05,1054 1.056,1055 2.039,1056 1.739,1057 1.701,1058 1.85,1059 1.883,1060 0.869,1061 1.874,1062 1.296,1063 1.226,1064 1.47,1065 1.584,1066 0.328,1067 1.561,1068 1.223,1069 1.143,1070 1.433,1071 1.515,1072 0.193,1073 1.504,1074 0.874,1075 0.816,1076 1.094,1077 1.043,1078 0.029,1079 1.063,1080 0.575,1081 0.476,1082 0.937,1083 0.92,1085 0.931,1086 0.536,1087 0.426,1088 0.883,1089 0.915,1091 0.92,1092 0.354,1093 0.227,1094 0.799,1095 0.751,1097 0.78,1098 3.664,1099 4.963,1101 6.46,1103 8.04,1105 9.663,1107 10.77,1114 19.709,1115 45.658,1116 90.187,1117 99.697,1118 109.207,1119 113.207,1120 113.207,1121 27.434,1122 6.087,1123 125.52,1124 125.52,1125 12,1126 11.87,1127 3.907,1128 3.17,1129 30.895,1130 49,1131 40,1132 0.322,1133 128.438,1134 214.52,1135 305.15,1136 2739,1137 13.121,1138 0.729,1139 0.529,1140 13.121,1141 9.513,1142 8.575,1143 0.451,1144 0.274,1145 5.144,1146 8.301,1147 5.039,1148 4.219,1149 8.575,1150 5.21,1151 7.862,1152 0.302,1153 0.14,1154 7.862,1155 3.643,1156 6.063,1157 0.189,1158 0.072,1159 6.063,1160 2.313,1161 4.601,1162 0.121,1163 0.038,1164 4.601,1165 1.455,1166 3.818,1167 0.08,1168 0.02,1169 3.818,1170 0.962,1171 0.487,1172 53.424,1173 0.287,1174 17.855,1175 0.93,1176 90,1177 264.58,1178 98.326,1179 271.832,1180 369.98,1181 250,1182 103,1183 277.577,1184 111.132,1185 285.533,1186 410.52,1187 268,1188 8.222}
{0 CHEMBL151222,1 1.522,2 7.222,3 0.151,4 0.023,5 66.166,6 8.01,7 0.632,8 3.511,9 3.662,10 3.11,11 3.031,12 4.844,13 3.037,14 3.879,15 4.036,16 3.438,17 3.36,18 5.246,19 3.345,20 4.108,21 4.307,22 3.477,23 3.462,24 5.457,25 3.424,26 4.144,27 4.377,28 3.323,29 3.408,30 5.339,31 3.347,32 4.077,33 4.309,34 3.241,35 3.337,36 5.255,37 3.26,38 3.996,39 4.249,40 3.071,41 3.167,42 5.231,43 3.08,44 3.824,45 4.095,46 2.826,47 2.897,48 5.063,49 2.823,50 3.617,51 3.915,52 2.516,53 2.574,54 4.873,55 2.469,56 0.076,57 0.504,58 5.463,59 1.948,60 17.791,61 2.62,62 0.111,63 0.714,64 8.07,65 3.437,66 23.71,67 4.635,68 0.21,69 0.827,70 11.307,71 4.002,72 36.573,73 5.584,74 0.189,75 0.79,76 12.902,77 3.967,78 31.453,79 5.842,80 0.121,81 0.727,82 12.056,83 4.202,84 26.239,85 6.19,86 0.18,87 0.639,88 11.668,89 3.675,90 30.826,91 5.511,92 0.159,93 0.517,94 10.233,95 2.576,96 30.622,97 4.109,98 0.157,99 0.387,100 8.874,101 2.308,102 29.96,103 3.731,104 21,105 26,106 0.288,107 0.631,108 0.754,109 0.853,110 0.903,111 0.903,112 2.96,113 0.821,114 -2.7,115 -2.71,116 -2.64,117 40,126 5,127 2,128 1,129 1,132 1,137 2,141 2,142 2,143 2,150 6,151 1,152 3,155 2,156 2,158 2,159 7,161 1,165 2,166 2,167 4,169 4,171 5,172 2,175 3,179 4,181 2,182 2,186 3,190 6,192 1,193 3,195 2,196 1,197 2,199 6,202 3,204 1,209 4,212 2,215 1,216 2,218 2,222 1,228 4,231 4,234 1,235 352,236 11.776,237 11.776,238 11.776,239 11.776,240 11.776,241 10.103,242 7.025,243 6.941,244 11.993,245 9.357,246 9.357,247 9.357,248 9.357,249 9.357,250 6.82,251 7.956,252 3.253,253 9.719,254 3.385,255 1.571,256 0.92,257 0.4,258 0.133,259 0.133,260 3.612,262 1,263 1,264 264,265 2.828,267 114.488,269 1.136,270 19.086,272 0.75,273 0.83,274 0.83,275 0.5,277 0.83,278 1,279 0.68,280 39,281 130,282 4.352,283 3.047,284 6.255,285 3.951,286 2.977,287 4.017,288 0.6,289 9.447,290 2.908,291 4.109,292 2.923,293 5.936,294 3.688,295 2.732,296 3.651,297 0.6,298 8.265,299 2.607,300 3.808,301 2.645,302 5.763,303 3.43,304 2.465,305 3.155,307 7.623,308 2.373,309 3.226,310 1.914,311 4.451,312 2.697,313 1.732,314 2.481,316 4.373,317 1.67,318 2.872,319 1.557,320 3.801,321 2.327,322 1.374,323 1.985,324 3.067,325 1.309,326 2.539,327 1.175,328 3.618,329 1.975,330 1,331 1.5,332 2.525,333 0.972,334 2.53,335 1.115,336 3.437,337 1.952,338 1,339 1.475,340 2.323,341 0.949,342 2.5,343 1,344 3.433,345 1.929,346 1,347 1.47,349 2.319,350 0.927,351 0.936,352 -0.352,353 2.517,354 0.492,355 -0.483,356 -0.656,358 -1.198,359 -0.47,360 0.755,361 -0.354,362 2,363 0.238,364 -0.732,365 -0.964,367 -1.802,368 -0.697,369 0.691,370 -0.481,371 2,372 0.163,373 -0.792,374 -1.038,376 -2,377 -0.766,378 0.5,379 -0.69,380 1.718,381 -0.026,382 -1,383 -1.427,385 -2,386 -0.9,387 0.41,388 -0.758,389 1.495,390 -0.1,391 -1,392 -1.431,394 -2.25,395 -0.9,396 0.406,397 -1,398 1.382,399 -0.1,400 -1,401 -1.5,403 -2.723,404 -0.974,405 -0.423,406 -1.563,407 1.284,408 -0.636,409 -1.616,410 -2.056,412 -5.232,413 -1.574,414 8.4,415 0.467,416 0.511,417 0.028,418 26.5,419 1.472,420 15,421 0.833,422 11.5,423 0.639,424 9.529,425 0.529,426 18.6,427 0.62,428 18.304,429 1.017,430 5.535,431 0.308,432 3.04,433 0.169,434 0.19,435 0.357,436 1.245,437 1.071,438 0.832,439 0.762,440 1.316,441 0.729,442 0.551,443 1.109,444 0.716,445 1.065,446 0.454,447 0.946,448 0.855,449 0.96,450 0.985,451 1.04,452 0.89,453 1.037,454 1.195,455 1.025,456 1.084,457 0.984,458 0.97,459 1.008,460 0.816,461 1.222,462 0.953,463 1.205,464 0.837,465 1.122,466 0.868,467 1.046,468 1.032,469 1.131,470 0.837,471 1.115,472 1.338,473 1.173,474 1.133,475 1.046,476 1.344,477 1.051,478 0.914,479 1.041,480 0.988,481 1.063,482 1.135,483 1.043,484 4,486 2.222,487 1,488 0.764,489 0.778,490 0.245,491 0.194,492 0.18,494 2471,495 8191,496 1.963,497 40,499 5,501 1,502 6,506 1.589,507 1.8,508 2.933,509 4.004,511 1,514 45.658,515 1.522,516 3.336,517 3.987,518 4.507,519 4.774,520 4.774,521 2.281,522 2.503,523 4.144,524 3.018,525 461.681,526 7.042,527 4345.14,529 1,531 147.207,532 1.53,533 4.076,534 0.211,536 0.085,537 0.038,538 0.035,539 0.039,540 0.015,541 0.016,542 0.023,544 0.462,545 0.5,546 1,547 1.066,548 75.768,549 -0.338,550 0.122,551 -0.051,552 0.221,553 -0.411,554 0.152,555 0.226,556 0.024,557 0.084,558 -0.034,559 0.217,560 -0.007,561 0.072,562 0.116,563 -0.113,564 -0.064,565 0.005,566 -0.112,567 -0.263,568 -0.036,569 -0.146,570 -0.009,571 -0.169,572 -0.048,573 -0.031,574 -0.279,575 -0.013,576 -0.178,577 -0.034,578 -0.107,579 0.051,580 -0.123,581 -0.046,582 -0.15,583 0.053,584 -0.122,585 -0.25,586 -0.269,587 -0.101,588 -0.13,589 -0.228,590 -0.095,591 0.172,592 -0.215,593 0.11,594 -0.137,595 0.053,596 -0.044,597 1.848,598 2.396,599 0.667,600 11.062,601 1.009,602 1.141,603 1.466,604 2.148,605 0.677,606 2.996,607 3.296,608 3.497,609 3.664,610 3.892,611 3.85,612 3.912,613 3.807,614 3.761,615 3.611,616 4.58,617 0.657,618 240.3,619 2.996,620 4.511,621 5.333,622 6.188,623 7.034,624 7.892,625 8.745,626 9.603,627 10.46,628 11.319,629 20,630 2,636 2,637 2,639 6,640 2,641 4,643 12,647 30,648 14,649 1,650 19,651 31,652 12,653 10,654 2,655 4,656 2,657 2,658 2,664 12,666 2,667 2,671 2,673 1,674 12,675 6,676 6,677 6,680 6,681 2,682 1,687 1,689 2,694 2,700 2,703 18,704 2,716 10,717 5.067,718 4,719 1.446,720 2.519,721 1.414,722 0.998,723 3.24,724 8.606,725 3.332,726 3.912,727 4.46,728 4.992,729 5.564,730 5.752,731 6.167,732 6.36,733 6.668,734 6.865,735 0.8,736 26,737 6.529,739 2.7,740 8.056,741 11.939,743 9.256,745 2.556,746 46,748 70.627,749 72.54,750 162.709,753 72.54,754 70.627,755 162.709,757 65.794,758 47.381,759 49.998,760 83.847,762 58.856,763 70.627,764 235.25,767 72.955,770 140.942,771 58.408,772 33.571,774 70.627,775 162.709,776 72.54,777 70.627,778 16.112,779 56.429,781 162.709,782 70.627,783 162.709,784 72.54,785 0.583,786 0.331,787 0.161,788 0.092,789 12,790 6,791 0.097,792 3,794 1,795 2.956,796 123.567,798 12,799 75.059,801 12.052,802 4.839,803 2.653,805 162.709,806 10.402,807 8.065,808 2.238,810 129.138,811 305.876,812 27,813 14.7,817 -0.183,818 30.262,819 34.235,820 0.31,821 0.68,822 0.812,823 0.918,824 0.973,825 0.973,826 4.533,827 1,828 5.323,829 2.323,830 3.97,831 4.595,832 0.892,833 6.098,834 3.898,835 5.751,836 -0.483,837 6.872,838 2.319,839 3.611,840 4.369,842 6.963,843 3.496,844 7.052,845 -0.732,846 8.521,847 -1.198,848 5.533,849 6.759,850 0.418,851 9.989,852 5.4,853 8.386,854 -0.792,855 10.226,856 -1.802,857 5.943,858 7.292,860 11.626,861 5.766,862 9.748,863 -1,864 11.964,865 -2,866 7.378,867 9.188,868 0.171,869 14.156,870 7.185,871 11.129,872 -1,873 13.723,874 -2,875 8.128,876 10.086,878 16.106,879 7.897,880 12.526,881 -1,882 15.496,883 -2.25,884 9.356,885 11.746,886 0.065,887 18.447,888 9.105,889 2.977,890 -1.616,891 17.278,892 -2.723,893 10.267,894 12.843,896 20.539,897 9.984,898 2.732,899 9.447,900 19.067,901 -5.232,902 11.402,903 14.376,904 0.024,905 22.806,906 11.098,907 2.465,908 8.265,909 20.861,910 4.017,911 12.392,912 15.587,914 24.966,915 12.06,916 1.732,917 7.623,918 22.658,919 3.651,920 13.488,921 17.051,922 0.009,923 27.205,924 13.134,925 1.374,926 4.373,927 24.457,928 3.155,929 14.517,930 18.329,932 29.399,933 14.138,934 1,935 3.067,936 26.259,937 2.481,938 15.597,939 19.754,940 0.003,941 31.63,942 15.196,943 1,944 2.525,945 28.063,946 1.985,947 16.648,948 21.073,950 33.843,951 16.224,952 2581,953 4768,954 12.137,955 20.318,956 29.134,957 28.563,958 29.595,959 28.574,960 28.559,961 39.469,962 2.4,963 79.884,964 27.429,965 5.028,966 5.047,967 5.804,968 5.022,969 4.977,970 7.017,971 1.2,972 15.88,973 4.908,974 10.12,975 1.533,976 1.503,977 1.558,978 1.504,979 1.503,980 2.077,981 0.126,982 4.204,983 1.444,984 3.995,985 4.029,986 3.954,987 3.919,988 5.887,989 3.922,990 3.76,991 3.813,992 3.715,993 3.607,994 5.876,995 3.629,996 3.387,997 3.475,998 3.305,999 3.161,1000 4.959,1001 3.189,1002 3.296,1003 3.388,1004 3.19,1005 3.064,1006 4.8,1007 3.085,1008 2.869,1009 2.931,1010 2.761,1011 2.74,1012 4.777,1013 2.735,1014 2.683,1015 2.781,1016 2.513,1017 2.465,1018 4.609,1019 2.469,1020 2.586,1021 2.716,1022 2.436,1023 2.261,1024 3.928,1025 2.296,1026 2.421,1027 2.592,1028 2.223,1029 2.127,1030 3.671,1031 2.141,1032 0.229,1033 0.16,1034 0.329,1035 0.208,1036 0.157,1037 4.352,1038 0.211,1039 3.047,1040 0.032,1041 6.255,1042 0.497,1043 3.951,1044 0.153,1045 2.977,1046 4.017,1047 0.6,1048 9.447,1049 2.908,1050 1.956,1051 1.931,1052 2.042,1053 2.053,1054 1.136,1055 2.049,1056 1.696,1057 1.649,1058 1.789,1059 1.876,1060 0.756,1061 1.856,1062 1.293,1063 1.221,1064 1.469,1065 1.584,1066 0.272,1067 1.561,1068 1.219,1069 1.14,1070 1.43,1071 1.51,1072 0.205,1073 1.498,1074 0.867,1075 0.81,1076 1.113,1077 1.038,1078 0.14,1079 1.066,1080 0.667,1081 0.573,1082 0.997,1083 0.949,1085 0.971,1086 0.501,1087 0.379,1088 0.882,1089 0.915,1091 0.921,1092 0.329,1093 0.227,1094 0.795,1095 0.802,1097 0.817,1098 3.664,1099 4.963,1101 6.46,1103 8.04,1105 9.663,1107 10.778,1114 19.709,1115 45.658,1116 100.087,1117 119.597,1118 135.207,1119 143.207,1120 143.207,1121 26.943,1122 6.087,1123 125.52,1124 125.52,1125 12,1126 11.87,1127 3.907,1128 3.17,1129 30.895,1130 49,1131 40,1132 0.322,1133 128.438,1134 214.52,1135 305.15,1136 2739,1137 13.121,1138 0.729,1139 0.529,1140 13.121,1141 9.513,1142 8.575,1143 0.451,1144 0.274,1145 5.133,1146 8.295,1147 5.024,1148 4.21,1149 8.575,1150 5.2,1151 7.862,1152 0.302,1153 0.141,1154 7.862,1155 3.674,1156 6.063,1157 0.189,1158 0.074,1159 6.063,1160 2.366,1161 4.601,1162 0.121,1163 0.039,1164 4.601,1165 1.495,1166 3.818,1167 0.08,1168 0.021,1169 3.818,1170 0.994,1171 0.487,1172 53.469,1173 0.287,1174 17.855,1175 0.93,1176 90,1177 264.58,1178 98.049,1179 271.984,1180 369.1,1181 250,1182 103,1183 275.225,1184 110.605,1185 284.164,1186 407.46,1187 266,1188 8.222}
{0 CHEMBL151255,1 1.569,2 7.267,3 -1.196,4 1.431,5 52.64,6 8.25,7 0.4,8 3.347,9 3.529,10 2.943,11 2.671,12 4.767,13 2.731,14 3.657,15 3.853,16 3.207,17 2.912,18 5.159,19 2.949,20 3.826,21 4.066,22 3.15,23 2.944,24 5.316,25 2.956,26 3.774,27 4.048,28 2.932,29 2.846,30 4.979,31 2.823,32 3.58,33 3.806,34 2.823,35 2.725,36 4.915,37 2.707,38 3.589,39 3.865,40 2.698,41 2.61,42 4.946,43 2.549,44 3.442,45 3.739,46 2.477,47 2.395,48 4.706,49 2.355,50 3.19,51 3.467,52 2.262,53 2.159,54 4.58,55 2.124,56 0.144,57 0.381,58 4.713,59 0.858,60 21.551,61 1.794,62 0.203,63 0.465,64 6.714,65 1.718,66 27.704,67 3.022,68 0.339,69 0.458,70 9.008,71 1.653,72 45.69,73 3.072,74 0.265,75 0.396,76 9.797,77 1.67,78 28.083,79 3.583,80 0.182,81 0.343,82 6.77,83 1.35,84 22.749,85 2.779,86 0.237,87 0.28,88 8.05,89 1.841,90 32.145,91 3.301,92 0.22,93 0.225,94 7.398,95 1.071,96 26.654,97 2.449,98 0.166,99 0.169,100 5.307,101 0.769,102 25.494,103 1.772,104 24,105 19,106 0.317,107 0.741,108 0.857,109 0.905,110 0.905,111 0.905,112 2.791,113 0.78,114 -0.77,115 -0.88,116 -1,117 28,126 1,128 1,129 1,132 1,134 1,137 1,138 1,141 2,142 2,143 2,147 1,151 1,152 2,155 4,158 3,164 1,165 1,166 3,167 6,177 1,179 1,185 1,190 2,193 1,196 2,197 5,199 2,202 1,208 2,210 1,215 1,216 2,228 4,231 4,234 1,235 240,236 9.621,237 9.621,238 9.621,239 9.621,240 9.621,241 8.364,242 8.316,243 5.914,244 9.937,245 7.401,246 7.401,247 7.401,248 7.401,249 7.401,250 5.512,251 7.478,252 2.815,253 7.903,254 3.075,255 0.975,256 0.4,257 0.16,258 0.16,259 0.16,260 3.41,263 1,264 210,265 3.162,267 53.256,269 1.218,270 16.916,272 0.75,273 0.83,274 0.83,275 0.5,277 0.67,278 0.5,279 0.58,280 34,281 109,282 4.204,283 2.968,284 5.975,285 3.756,286 2.817,287 3.812,288 1.072,289 8.464,290 2.643,291 3.707,292 2.754,293 5.241,294 3.281,295 2.329,296 3.026,297 0.6,298 6.534,299 2.217,300 3.531,301 2.467,302 4.649,303 3.094,304 2.172,305 2.716,307 5.152,308 1.997,309 2.952,310 1.751,311 3.789,312 2.343,313 1.414,314 2.048,316 3.112,317 1.312,318 2.572,319 1.326,320 3.437,321 1.935,322 1,323 1.476,324 2.325,325 0.933,326 2.528,327 1.103,328 3.224,329 1.928,330 1,331 1.443,332 2.139,333 0.926,334 1.21,335 0.196,336 2.385,337 0.847,338 -0.105,339 -0.127,340 -0.245,341 -0.099,342 0.795,343 -0.353,344 2,345 0.224,346 -0.708,347 -0.941,349 -1.656,350 -0.658,351 0.649,352 -0.373,353 1.721,354 0.076,355 -0.858,356 -1.116,358 -2,359 -0.799,360 0.411,361 -0.58,362 1.423,363 -0.1,364 -1,365 -1.425,367 -2,368 -0.9,369 0.391,370 -0.766,371 1.247,372 -0.1,373 -1,374 -1.442,376 -2.348,377 -0.9,378 -0.236,379 -1.257,380 1,381 -0.463,382 -1.414,383 -1.778,385 -3.75,386 -1.339,387 -0.5,388 -1.567,389 1,390 -0.774,391 -1.721,392 -2.181,393 -0.4,394 -4.674,395 -1.632,396 -0.539,397 -1.769,398 0.49,399 -0.975,400 -1.926,401 -2.511,402 -0.6,403 -5.244,404 -1.815,405 -0.675,406 -2,407 0.418,408 -1.07,409 -2,410 -3,411 -0.672,412 -5.808,413 -1.886,414 6.7,415 0.447,416 0.408,417 0.027,418 20.5,419 1.367,420 10.5,421 0.7,422 10,423 0.667,424 7.297,425 0.486,426 16.7,427 0.668,428 13.755,429 0.917,430 4.558,431 0.304,432 2.535,433 0.169,434 0.239,435 0.299,436 1.313,437 1.478,438 0.857,439 0.904,440 1.396,441 0.774,442 0.682,443 1.383,444 0.725,445 1.26,446 0.483,447 1.027,448 1.127,449 0.693,450 1.159,451 0.838,452 1.135,453 0.992,454 1.073,455 1.078,456 0.905,457 0.88,458 0.706,459 0.851,460 1.124,461 1.552,462 1.164,463 1.493,464 1.11,465 1.353,466 0.572,467 0.856,468 0.917,469 1.189,470 0.764,471 1.147,472 1.083,473 0.872,474 0.999,475 0.827,476 1.013,477 0.886,478 1.135,479 1.059,480 1.182,481 1.133,482 1.37,483 1.166,484 3.5,486 1.333,487 0.75,488 0.502,489 0.438,490 0.183,491 0.128,492 0.14,494 1501,495 6153,496 1.852,497 40,499 1,501 2,502 7,506 1.526,507 1.698,508 2.911,509 5.588,514 39.226,515 1.569,516 3.669,517 4.244,518 4.484,519 4.484,520 4.484,521 2.289,522 3.19,523 3.876,524 3.039,525 319.143,526 6.475,527 2719.41,531 116.096,532 1.53,533 3.806,534 0.233,536 0.07,537 0.044,538 0.036,539 0.036,540 0.018,541 0.016,542 0.023,544 0.478,545 0.33,546 1,547 1.938,548 60.062,549 -0.405,550 -0.169,551 -0.076,552 0.158,553 -0.499,554 0.13,555 0.198,556 -0.13,557 0.096,558 -0.168,559 0.255,560 -0.072,561 -0.089,562 0.382,563 -0.266,564 0.059,565 -0.145,566 -0.13,567 -0.163,568 -0.158,569 0.079,570 0.124,571 -0.01,572 0.161,573 -0.254,574 -0.444,575 -0.293,576 -0.443,577 -0.245,578 -0.384,579 0.341,580 0.057,581 0.075,582 -0.184,583 0.169,584 -0.129,585 -0.083,586 -0.083,587 0.043,588 0.065,589 -0.074,590 0.085,591 -0.118,592 -0.204,593 -0.185,594 -0.261,595 -0.181,596 -0.243,597 1.938,598 2.116,599 0.4,600 9.867,601 1.028,602 1.176,603 -0.461,604 0.213,605 0.632,606 2.773,607 2.996,608 3.045,609 3.135,610 3.258,611 3.135,612 3.045,613 2.773,614 2.639,615 2.197,616 4.606,617 0.628,618 206.25,619 2.773,620 4.234,621 4.99,622 5.802,623 6.586,624 7.402,625 8.198,626 9.015,627 9.818,628 10.637,629 32,630 2,631 1,636 3,637 2,639 2,640 2,641 2,643 6,647 25,648 9,650 15,651 25,652 7,653 4,656 2,657 1,658 1,659 1,660 1,664 7,666 3,667 2,669 1,670 1,671 2,673 1,674 10,675 8,676 7,677 8,680 8,681 1,682 1,687 1,689 1,694 2,700 1,703 15,704 2,707 1,716 8.833,717 4.017,718 3.444,719 1.028,720 1.826,721 1.345,722 0.941,723 3.71,724 7.119,725 3.091,726 3.57,727 3.956,728 4.426,729 4.889,730 4.981,731 5.198,732 5.073,733 5.154,734 5.03,735 0.8,736 17,737 5.367,738 -0.001,739 2.088,740 8.311,741 9.479,743 6.676,744 -0.001,745 2.811,746 42.167,747 0.001,748 35.313,749 36.883,750 197.261,753 36.883,754 35.313,755 197.261,757 65.794,758 27.364,759 68.489,760 94.139,761 1.899,762 11.771,763 35.313,764 234.143,767 37.641,770 175.494,771 13.703,772 42.618,774 35.313,775 197.261,776 36.883,777 35.313,778 9.312,779 27.571,780 17.888,781 179.372,782 35.313,783 197.261,784 36.883,785 0.564,786 0.284,787 0.132,788 0.073,789 7,790 4,791 0.16,792 4,794 1,795 2.713,796 83.95,798 6,799 58.603,801 11.077,802 5.024,803 3.704,805 197.261,806 3.038,807 7.68,808 0.589,810 147.027,811 269.457,812 21,813 13.953,815 1.343,816 3.615,817 -0.489,818 25.698,819 29.402,820 0.338,821 0.79,822 0.914,823 0.966,824 0.966,825 0.966,826 4.256,827 -0.708,828 4.949,829 -0.245,830 3.664,831 4.248,832 1.247,833 5.617,834 3.536,835 5.443,836 -0.858,837 6.431,838 -1.656,839 3.219,840 3.951,841 0.623,842 6.304,843 3.02,844 6.711,845 -1,846 8.012,847 -2,848 5.118,849 6.294,850 1.032,851 9.254,852 4.867,853 8.008,854 -1,855 9.648,856 -2,857 5.398,858 6.724,859 0.819,860 10.729,861 5.072,862 9.33,863 -1.414,864 11.319,865 -2.348,866 6.832,867 8.607,868 0.995,869 13.196,870 6.457,871 10.67,872 -1.721,873 13.014,874 -3.75,875 7.46,876 9.406,877 0.94,878 15.018,879 7.012,880 12.024,881 -1.926,882 14.727,883 -4.674,884 8.681,885 11.062,886 1.036,887 17.29,888 8.179,889 2.817,890 -2,891 16.453,892 -5.244,893 9.492,894 12.073,895 1.043,896 19.277,897 8.921,898 2.329,899 8.464,900 18.189,901 -5.808,902 10.61,903 13.602,904 1.109,905 21.468,906 9.981,907 2.172,908 6.534,909 19.934,910 3.812,911 11.522,912 14.74,913 1.141,914 23.533,915 10.826,916 1.414,917 5.152,918 21.685,919 3.026,920 12.59,921 16.194,922 1.197,923 25.69,924 11.834,925 1,926 3.112,927 23.441,928 2.716,929 13.557,930 17.409,931 1.24,932 27.791,933 12.735,934 1,935 2.325,936 25.202,937 2.048,938 14.604,939 18.818,940 1.293,941 29.935,942 13.72,943 -0.105,944 2.139,945 26.967,946 1.476,947 15.601,948 20.081,949 1.342,950 32.053,951 14.651,952 1668,953 3448,954 9.246,955 15.807,956 22.189,957 21.618,958 22.232,959 21.474,960 21.465,961 29.042,962 3.344,963 55.451,964 20.054,965 4.879,966 4.968,967 5.557,968 4.826,969 4.817,970 6.812,971 1.744,972 14.272,973 4.529,974 9.088,975 1.479,976 1.441,977 1.482,978 1.432,979 1.431,980 1.936,981 0.223,982 3.697,983 1.337,984 3.887,985 3.943,986 3.853,987 3.719,988 5.892,989 3.746,990 3.558,991 3.659,992 3.491,993 3.239,994 5.881,995 3.292,996 3.371,997 3.461,998 3.282,999 3.121,1000 4.976,1001 3.154,1002 3.096,1003 3.196,1004 2.994,1005 2.83,1006 4.802,1007 2.857,1008 2.591,1009 2.719,1010 2.453,1011 2.261,1012 4.779,1013 2.298,1014 2.542,1015 2.699,1016 2.376,1017 2.14,1018 4.562,1019 2.187,1020 2.406,1021 2.565,1022 2.129,1023 1.917,1024 3.877,1025 1.941,1026 2.371,1027 2.518,1028 2.106,1029 1.881,1030 3.609,1031 1.91,1032 0.28,1033 0.198,1034 0.398,1035 0.25,1036 0.188,1037 4.204,1038 0.254,1039 2.968,1040 0.071,1041 5.975,1042 0.564,1043 3.756,1044 0.176,1045 2.817,1046 3.812,1047 1.072,1048 8.464,1049 2.643,1050 1.795,1051 1.748,1052 1.874,1053 1.985,1054 0.841,1055 1.955,1056 1.407,1057 1.315,1058 1.559,1059 1.764,1060 0.272,1061 1.715,1062 1.274,1063 1.192,1064 1.461,1065 1.574,1066 0.162,1067 1.552,1068 1.004,1069 0.917,1070 1.234,1071 1.323,1072 0.039,1073 1.302,1074 0.502,1075 0.38,1076 0.883,1077 0.916,1079 0.921,1080 0.433,1081 0.279,1082 0.879,1083 0.915,1085 0.92,1086 0.29,1087 0.127,1088 0.679,1089 0.745,1091 0.733,1092 0.267,1093 0.098,1094 0.632,1095 0.689,1097 0.685,1098 3.434,1099 4.673,1101 6.084,1103 7.578,1105 9.118,1107 10.21,1110 2.228,1114 15.698,1115 39.226,1116 91.732,1117 106.096,1118 112.096,1119 112.096,1120 112.096,1121 21.323,1122 5.293,1123 149.91,1124 149.91,1125 6,1126 11.223,1127 3.322,1128 2.807,1129 31.317,1130 40,1131 37,1132 0.391,1133 107.313,1134 178.56,1135 253.605,1136 959,1137 11.259,1138 0.751,1139 0.515,1140 11.259,1141 7.728,1142 7.092,1143 0.473,1144 0.26,1145 3.8,1146 6.663,1147 3.746,1148 3.173,1149 7.092,1150 3.899,1151 6.361,1152 0.335,1153 0.132,1154 6.361,1155 2.502,1156 4.16,1157 0.208,1158 0.065,1159 4.16,1160 1.3,1161 3.015,1162 0.137,1163 0.034,1164 3.015,1165 0.742,1166 2.265,1167 0.091,1168 0.017,1169 2.265,1170 0.436,1171 0.607,1172 45.525,1173 0.329,1174 15.529,1175 1.071,1176 68,1177 252.558,1178 79.268,1179 254.376,1180 335,1181 232,1182 73,1183 245.325,1184 83.269,1185 249.176,1186 348.41,1187 231,1188 6.276}
{0 CHEMBL151372,1 1.53,2 7.267,3 0.052,4 0.003,5 59.188,6 7.566,7 0.4,8 3.39,9 3.566,10 2.916,11 2.816,12 4.742,13 2.824,14 3.719,15 3.901,16 3.171,17 3.115,18 5.11,19 3.084,20 3.944,21 4.17,22 3.118,23 3.184,24 5.248,25 3.124,26 3.971,27 4.252,28 2.944,29 3.062,30 5.09,31 2.97,32 3.772,33 4.036,34 2.814,35 2.878,36 4.95,37 2.802,38 3.675,39 3.956,40 2.672,41 2.722,42 4.911,43 2.635,44 3.519,45 3.808,46 2.483,47 2.536,48 4.757,49 2.454,50 3.347,51 3.646,52 2.233,53 2.312,54 4.545,55 2.227,56 0.107,57 0.428,58 5.635,59 1.562,60 18,61 2.523,62 0.139,63 0.569,64 7.927,65 2.957,66 24.689,67 4.315,68 0.2,69 0.61,70 10.808,71 2.941,72 33.011,73 4.857,74 0.177,75 0.53,76 12.274,77 2.991,78 30.568,79 5.367,80 0.133,81 0.447,82 9.723,83 2.292,84 23.09,85 4.21,86 0.165,87 0.378,88 9.106,89 2.146,90 27.305,91 3.843,92 0.171,93 0.313,94 7.89,95 1.633,96 24.826,97 3.041,98 0.117,99 0.247,100 6.741,101 1.196,102 21.498,103 2.497,104 24,105 19,106 0.303,107 0.655,108 0.796,109 0.899,110 0.913,111 0.913,112 2.791,113 0.834,114 -2.51,115 -2.53,116 -2.48,117 33.3,126 4,127 2,134 1,137 1,138 1,141 2,142 2,143 2,147 1,150 6,152 1,155 4,156 2,158 3,159 6,161 1,165 2,166 1,167 2,169 5,171 3,172 2,175 2,179 6,182 2,186 1,190 6,193 2,196 1,197 2,199 5,202 2,208 2,209 4,210 1,212 2,218 2,222 1,228 4,231 4,234 1,235 240,236 9.621,237 9.621,238 9.621,239 9.621,240 9.621,241 8.364,242 8.316,243 5.914,244 9.816,245 7.401,246 7.401,247 7.401,248 7.401,249 7.401,250 5.512,251 7.478,252 2.815,253 7.692,254 3.224,255 1.453,256 0.741,257 0.222,258 0.148,259 0.148,260 3.41,262 1,263 1,264 210,265 3.162,267 53.256,269 1.218,270 14.367,272 0.75,273 0.83,274 0.83,275 0.5,277 0.83,278 1,279 0.68,280 33,281 109,282 4.204,283 2.968,284 5.975,285 3.803,286 2.817,287 3.812,288 1.072,289 8.464,290 2.779,291 3.707,292 2.754,293 5.241,294 3.295,295 2.329,296 3.026,297 0.6,298 6.534,299 2.256,300 3.531,301 2.467,302 4.649,303 3.098,304 2.172,305 2.716,307 5.152,308 2.001,309 2.952,310 1.751,311 3.789,312 2.384,313 1.414,314 2.048,316 3.112,317 1.37,318 2.572,319 1.326,320 3.437,321 1.974,322 1,323 1.476,324 2.325,325 0.971,326 2.528,327 1.103,328 3.224,329 1.953,330 1,331 1.443,332 2.139,333 0.951,334 1.21,335 0.196,336 2.385,337 0.866,338 -0.105,339 -0.127,340 -0.245,341 -0.101,342 0.795,343 -0.353,344 2,345 0.271,346 -0.708,347 -0.941,349 -1.656,350 -0.69,351 0.649,352 -0.373,353 1.721,354 0.117,355 -0.858,356 -1.116,358 -2,359 -0.837,360 0.411,361 -0.58,362 1.423,363 -0.1,364 -1,365 -1.425,367 -2,368 -0.9,369 0.391,370 -0.766,371 1.247,372 -0.1,373 -1,374 -1.442,376 -2.348,377 -0.9,378 -0.236,379 -1.257,380 1,381 -0.453,382 -1.414,383 -1.778,385 -3.75,386 -1.359,387 -0.5,388 -1.567,389 1,390 -0.745,391 -1.721,392 -2.181,393 -0.4,394 -4.674,395 -1.677,396 -0.539,397 -1.769,398 0.49,399 -0.964,400 -1.926,401 -2.511,402 -0.6,403 -5.244,404 -1.863,405 -0.675,406 -2,407 0.418,408 -1,409 -2,410 -3,411 -0.672,412 -5.808,413 -2,414 6.9,415 0.46,416 0.408,417 0.027,418 19.5,419 1.3,420 10.5,421 0.7,422 9,423 0.6,424 7.783,425 0.519,426 16.5,427 0.611,428 13.269,429 0.885,430 4.397,431 0.293,432 2.696,433 0.18,434 0.232,435 0.29,436 1.265,437 1.032,438 0.925,439 0.775,440 1.349,441 0.782,442 0.482,443 1.043,444 0.811,445 1.175,446 0.41,447 1.073,448 1.123,449 1.069,450 1.192,451 1.156,452 1.102,453 1.183,454 0.963,455 1.109,456 0.927,457 1.023,458 0.813,459 0.975,460 1.033,461 1.325,462 0.998,463 1.188,464 0.917,465 1.099,466 0.862,467 1.054,468 0.948,469 1.072,470 0.847,471 1.033,472 1.089,473 0.882,474 1.059,475 0.924,476 1.132,477 0.978,478 1.282,479 1.147,480 1.049,481 0.962,482 1.31,483 0.96,484 3.5,486 1.333,487 0.75,488 0.502,489 0.438,490 0.183,491 0.128,492 0.14,494 1501,495 5421,496 1.852,497 44.4,499 4,501 1,502 7,506 1.526,507 1.698,508 2.911,509 5.458,514 41.323,515 1.53,516 3.302,517 4.014,518 4.533,519 4.607,520 4.607,521 2.289,522 3.19,523 3.876,524 3.039,525 319.143,526 6.475,527 2719.41,529 1,531 128.382,532 1.53,533 3.806,534 0.233,536 0.07,537 0.044,538 0.036,539 0.036,540 0.018,541 0.016,542 0.023,544 0.478,545 0.33,546 1,547 1.938,548 60.062,549 -0.279,550 0.268,551 -0.074,552 0.282,553 -0.417,554 0.162,555 0.301,556 0.2,557 0.031,558 -0.033,559 0.283,560 -0.051,561 -0.189,562 0.045,563 -0.295,564 -0.142,565 -0.185,566 -0.226,567 -0.096,568 -0.208,569 0.043,570 -0.031,571 -0.042,572 0.025,573 -0.131,574 -0.379,575 -0.043,576 -0.205,577 -0.083,578 -0.12,579 0.094,580 -0.159,581 0.037,582 -0.128,583 0.07,584 -0.066,585 -0.017,586 0.004,587 -0.056,588 -0.042,589 -0.107,590 -0.054,591 -0.226,592 -0.323,593 -0.029,594 -0.093,595 -0.168,596 -0.031,597 1.894,598 2.241,599 0.4,600 9.867,601 1.01,602 1.157,603 1.277,604 1.631,605 0.641,606 2.773,607 2.996,608 3.045,609 3.135,610 3.258,611 3.135,612 3.045,613 2.773,614 2.639,615 2.197,616 4.606,617 0.619,618 204.27,619 2.773,620 4.234,621 4.99,622 5.802,623 6.586,624 7.402,625 8.198,626 9.015,627 9.818,628 10.637,629 22.2,630 2,631 1,636 3,639 4,641 2,643 6,647 27,648 9,649 1,650 15,651 27,652 9,653 6,654 2,655 4,656 2,657 1,658 1,659 1,660 1,664 9,666 3,667 2,669 1,670 1,671 2,673 1,674 12,675 6,676 7,677 6,680 6,681 1,682 1,689 1,694 2,700 1,703 15,704 2,707 1,716 8.833,717 4.283,718 3.444,719 1.172,720 1.826,721 1.345,722 0.954,723 3.826,724 7.119,725 3.091,726 3.57,727 3.956,728 4.426,729 4.889,730 4.981,731 5.198,732 5.073,733 5.154,734 5.03,735 0.8,736 17,737 5.392,738 -0.001,739 2.101,740 8.178,741 9.738,743 7.069,744 -0.001,745 2.678,746 40.167,747 0.001,748 58.856,749 57.551,750 163.69,753 57.551,754 58.856,755 163.69,757 65.794,758 55.793,759 23.146,760 86.378,761 1.899,762 47.084,763 58.856,764 221.24,767 58.856,770 163.69,771 48.503,772 9.047,774 58.856,775 163.69,776 57.551,777 58.856,778 10.598,779 46.952,780 17.888,781 145.801,782 58.856,783 163.69,784 57.551,785 0.564,786 0.284,787 0.132,788 0.073,789 7,790 4,791 0.148,792 4,794 1,795 2.713,796 83.95,798 6,799 58.603,801 11.206,802 5.121,803 3.787,805 163.69,806 7.023,808 1.401,810 147.027,811 280.096,812 21,813 14.11,815 1.494,816 3.706,817 -0.223,818 27.262,819 31.235,820 0.322,821 0.695,822 0.844,823 0.953,824 0.969,825 0.969,826 4.256,827 -0.708,828 4.949,829 -0.245,830 3.664,831 4.248,832 1.247,833 5.617,834 3.597,835 5.443,836 -0.858,837 6.431,838 -1.656,839 3.219,840 3.951,841 0.623,842 6.304,843 3.102,844 6.711,845 -1,846 8.012,847 -2,848 5.118,849 6.294,850 1.032,851 9.254,852 5.005,853 8.008,854 -1,855 9.648,856 -2,857 5.398,858 6.724,859 0.819,860 10.729,861 5.245,862 9.33,863 -1.414,864 11.319,865 -2.348,866 6.832,867 8.607,868 0.995,869 13.196,870 6.687,871 10.67,872 -1.721,873 13.014,874 -3.75,875 7.46,876 9.406,877 0.94,878 15.018,879 7.289,880 12.024,881 -1.926,882 14.727,883 -4.674,884 8.681,885 11.062,886 1.036,887 17.29,888 8.512,889 2.817,890 -2,891 16.453,892 -5.244,893 9.492,894 12.073,895 1.043,896 19.277,897 9.308,898 2.329,899 8.464,900 18.189,901 -5.808,902 10.61,903 13.602,904 1.109,905 21.468,906 10.424,907 2.172,908 6.534,909 19.934,910 3.812,911 11.522,912 14.74,913 1.141,914 23.533,915 11.324,916 1.414,917 5.152,918 21.685,919 3.026,920 12.59,921 16.194,922 1.197,923 25.69,924 12.388,925 1,926 3.112,927 23.441,928 2.716,929 13.557,930 17.409,931 1.24,932 27.791,933 13.345,934 1,935 2.325,936 25.202,937 2.048,938 14.604,939 18.818,940 1.293,941 29.935,942 14.384,943 -0.105,944 2.139,945 26.967,946 1.476,947 15.601,948 20.081,949 1.342,950 32.053,951 15.371,952 1668,953 3222,954 9.246,955 17.318,956 22.189,957 21.618,958 22.232,959 21.494,960 21.465,961 29.042,962 3.344,963 55.451,964 20.656,965 4.879,966 4.968,967 5.557,968 4.803,969 4.817,970 6.812,971 1.744,972 14.272,973 4.779,974 9.088,975 1.479,976 1.441,977 1.482,978 1.433,979 1.431,980 1.936,981 0.223,982 3.697,983 1.377,984 3.945,985 3.978,986 3.891,987 3.88,988 5.891,989 3.878,990 3.564,991 3.664,992 3.495,993 3.261,994 5.877,995 3.308,996 3.371,997 3.462,998 3.283,999 3.121,1000 4.843,1001 3.155,1002 3.131,1003 3.221,1004 3.018,1005 2.922,1006 4.797,1007 2.932,1008 2.725,1009 2.821,1010 2.558,1011 2.503,1012 4.752,1013 2.509,1014 2.618,1015 2.741,1016 2.443,1017 2.35,1018 4.467,1019 2.362,1020 2.441,1021 2.615,1022 2.137,1023 1.938,1024 3.615,1025 1.958,1026 2.412,1027 2.577,1028 2.114,1029 1.9,1030 3.516,1031 1.925,1032 0.28,1033 0.198,1034 0.398,1035 0.254,1036 0.188,1037 4.204,1038 0.254,1039 2.968,1040 0.071,1041 5.975,1042 0.564,1043 3.803,1044 0.185,1045 2.817,1046 3.812,1047 1.072,1048 8.464,1049 2.779,1050 1.924,1051 1.898,1052 2.022,1053 2.013,1054 1.107,1055 2.017,1056 1.42,1057 1.333,1058 1.572,1059 1.767,1060 0.397,1061 1.721,1062 1.274,1063 1.193,1064 1.461,1065 1.575,1066 0.261,1067 1.553,1068 1.076,1069 1.001,1070 1.305,1071 1.346,1072 0.125,1073 1.337,1074 0.706,1075 0.611,1076 1.038,1077 0.982,1079 1.009,1080 0.571,1081 0.464,1082 0.935,1083 0.937,1085 0.951,1086 0.354,1087 0.169,1088 0.821,1089 0.835,1091 0.844,1092 0.319,1093 0.131,1094 0.792,1095 0.778,1097 0.797,1098 3.434,1099 4.673,1101 6.084,1103 7.578,1105 9.118,1107 10.368,1110 2.288,1114 16.709,1115 41.323,1116 89.163,1117 108.382,1118 122.382,1119 124.382,1120 124.382,1121 22.845,1122 5.293,1123 124.13,1124 124.13,1125 6,1126 11.223,1127 3.322,1128 2.807,1129 31.317,1130 40,1131 37,1132 0.391,1133 112.909,1134 191.16,1135 267.259,1136 959,1137 11.259,1138 0.751,1139 0.533,1140 11.259,1141 7.989,1142 7.092,1143 0.473,1144 0.278,1145 4.101,1146 6.792,1147 4.013,1148 3.407,1149 7.092,1150 4.169,1151 6.361,1152 0.335,1153 0.149,1154 6.361,1155 2.823,1156 4.16,1157 0.208,1158 0.08,1159 4.16,1160 1.596,1161 3.015,1162 0.137,1163 0.044,1164 3.015,1165 0.963,1166 2.265,1167 0.091,1168 0.024,1169 2.265,1170 0.589,1171 0.607,1172 44.662,1173 0.329,1174 15.529,1175 1.071,1176 68,1177 213.268,1178 75.438,1179 220.216,1180 289.36,1181 200,1182 73,1183 210.043,1184 79.134,1185 217.18,1186 300.21,1187 201,1188 7.444}
{0 CHEMBL151654,1 1.538,2 8,3 -0.44,4 0.193,5 63.672,6 7.562,7 0.375,8 3.469,9 3.653,10 2.992,11 2.853,12 4.838,13 2.869,14 3.795,15 3.991,16 3.224,17 3.153,18 5.104,19 3.127,20 3.99,21 4.21,22 3.23,23 3.228,24 5.304,25 3.178,26 4.065,27 4.342,28 3.04,29 3.125,30 5.244,31 3.047,32 3.936,33 4.228,34 2.89,35 2.964,36 5.036,37 2.879,38 3.731,39 4.005,40 2.76,41 2.792,42 4.94,43 2.714,44 3.634,45 3.923,46 2.662,47 2.651,48 4.808,49 2.587,50 3.497,51 3.773,52 2.486,53 2.509,54 4.699,55 2.449,56 0.144,57 0.452,58 6.22,59 1.576,60 20.505,61 2.677,62 0.17,63 0.593,64 8.813,65 2.954,66 22.295,67 4.534,68 0.233,69 0.629,70 11.207,71 3.095,72 29.198,73 5.15,74 0.262,75 0.551,76 13.427,77 2.704,78 39.119,79 5.335,80 0.197,81 0.462,82 12.093,83 2.492,84 27.459,85 4.977,86 0.182,87 0.388,88 9.502,89 2.1,90 28.267,91 3.963,92 0.191,93 0.339,94 8.884,95 1.7,96 22.554,97 3.402,98 0.142,99 0.292,100 7.533,101 1.183,102 21.2,103 2.738,104 25,105 20,106 0.3,107 0.643,108 0.813,109 0.893,110 0.907,111 0.907,112 2.849,113 0.825,114 -2.56,115 -2.58,116 -2.52,117 31,126 4,127 2,134 1,137 1,138 1,141 3,142 3,143 3,146 1,147 2,150 6,152 1,153 1,154 2,155 2,156 2,158 2,159 6,161 1,164 1,165 2,166 1,167 1,168 2,169 5,170 3,171 3,172 2,173 1,175 2,176 1,177 1,179 6,182 2,186 2,190 5,193 2,195 2,196 1,197 2,199 4,202 3,204 2,208 2,209 4,210 1,212 4,214 1,218 3,222 3,226 1,227 2,228 2,229 1,231 3,233 1,234 1,235 288,236 10.491,237 10.491,238 10.491,239 10.491,240 10.491,241 8.941,242 9.37,243 6.383,244 10.722,245 7.811,246 7.811,247 7.811,248 7.811,249 7.811,250 5.781,251 8.656,252 2.947,253 8.123,254 3.32,255 1.561,256 0.69,257 0.276,258 0.207,259 0.207,260 3.474,263 1,264 248,265 3.317,267 58.128,269 1.25,270 13.496,272 0.75,273 0.83,274 0.83,275 0.5,277 0.83,278 1,279 0.68,280 35.5,281 128,282 4.204,283 2.97,284 5.975,285 3.803,286 2.817,287 3.812,288 1.072,289 8.464,290 2.779,291 3.76,292 2.871,293 5.243,294 3.319,295 2.375,296 3.054,297 0.6,298 6.541,299 2.264,300 3.641,301 2.482,302 4.98,303 3.197,304 2.247,305 2.925,307 5.867,308 2.109,309 2.967,310 1.768,311 3.795,312 2.396,313 1.427,314 2.065,316 3.128,317 1.381,318 2.598,319 1.348,320 3.439,321 2.036,322 1.07,323 1.503,324 2.329,325 1.031,326 2.529,327 1.106,328 3.338,329 1.97,330 1,331 1.473,332 2.274,333 0.968,334 1.549,335 0.614,336 2.649,337 1.298,338 0.334,339 0.375,340 0.485,341 0.321,342 0.969,343 -0.012,344 2,345 0.786,346 -0.19,347 -0.214,349 -0.397,350 -0.184,351 0.746,352 -0.354,353 2,354 0.265,355 -0.714,356 -0.941,358 -1.665,359 -0.696,360 0.596,361 -0.58,362 1.598,363 0.11,364 -0.863,365 -1.121,367 -2,368 -0.84,369 0.409,370 -0.765,371 1.397,372 -0.1,373 -1,374 -1.43,376 -2.336,377 -0.9,379 -0.922,380 1.217,381 -0.375,382 -1.315,383 -1.608,385 -2.86,386 -1.234,387 -0.242,388 -1.284,389 1,390 -0.568,391 -1.517,392 -2.111,394 -4.042,395 -1.443,396 -0.5,397 -1.572,398 0.522,399 -0.758,400 -1.734,401 -2.249,402 -0.4,403 -4.734,404 -1.687,405 -0.542,406 -1.77,407 0.452,408 -0.979,409 -1.938,410 -2.533,411 -0.6,412 -5.244,413 -1.868,414 7.3,415 0.456,416 0.37,417 0.023,418 20,419 1.25,420 10.5,421 0.656,422 9.5,423 0.594,424 9.192,425 0.575,426 17.9,427 0.617,428 13.736,429 0.858,430 4.608,431 0.288,432 3.022,433 0.189,434 0.219,435 0.274,436 1.217,437 0.99,438 0.931,439 0.766,440 1.386,441 0.786,442 0.602,443 1.038,444 0.816,445 1.117,446 0.509,447 1.023,448 0.908,449 1.102,450 1.106,451 1.245,452 0.876,453 1.22,454 1.171,455 1.08,456 1.098,457 1.034,458 1.148,459 1.049,460 0.97,461 1.178,462 0.888,463 1.023,464 0.822,465 0.948,466 0.896,467 1.148,468 0.99,469 1.162,470 0.942,471 1.103,472 1.005,473 0.975,474 0.933,475 0.91,476 0.81,477 0.907,478 1.371,479 1.341,480 1.162,481 1.132,482 1.343,483 1.106,484 3.5,486 1.556,487 0.75,488 0.502,489 0.438,490 0.183,491 0.128,492 0.152,493 0.056,494 1842,495 6662,496 1.861,497 44.8,499 4,501 1,502 8,506 1.545,507 1.714,508 3.033,509 6.472,511 1,514 44.595,515 1.538,516 3.297,517 4.168,518 4.582,519 4.651,520 4.651,521 2.483,522 3.578,523 3.97,524 3.152,525 378.186,526 6.66,527 3410,531 140.881,532 1.5,533 3.906,534 0.219,536 0.078,537 0.039,538 0.033,539 0.034,540 0.017,541 0.013,542 0.019,543 0.009,544 0.461,545 0.33,546 1,547 2.125,548 66.214,549 -0.207,550 0.342,551 -0.068,552 0.304,553 -0.391,554 0.165,555 0.202,556 0.23,557 0.04,558 0.051,559 0.171,560 0.015,561 -0.003,562 0.072,563 -0.218,564 -0.178,565 -0.018,566 -0.236,567 -0.209,568 -0.132,569 -0.133,570 -0.078,571 -0.191,572 -0.088,573 -0.083,574 -0.304,575 0.095,576 -0.043,577 0.004,578 0.051,579 0.034,580 -0.203,581 -0.026,582 -0.186,583 -0.005,584 -0.126,585 0.008,586 -0.088,587 0.063,588 0.002,589 0.035,590 0.04,591 -0.324,592 -0.422,593 -0.181,594 -0.239,595 -0.276,596 -0.187,597 1.661,598 2.269,599 0.375,600 11,601 1.013,602 1.163,603 1.33,604 1.769,605 0.632,606 2.833,607 3.045,608 3.135,609 3.178,610 3.296,611 3.178,612 3.135,613 2.89,614 2.833,615 2.565,616 4.93,617 0.611,618 219.29,619 2.833,620 4.29,621 5.056,622 5.861,623 6.65,624 7.46,625 8.259,626 9.071,627 9.875,628 10.69,629 24.1,630 2,631 1,633 1,636 3,639 4,641 2,643 6,647 29,648 9,649 1,650 16,651 29,652 9,653 6,654 2,655 4,656 2,657 1,658 1,659 1,660 1,664 9,666 3,667 1,669 1,670 2,671 2,673 1,674 13,675 7,676 8,677 7,680 7,681 1,682 1,689 1,694 2,700 1,703 16,704 3,707 1,716 9.333,717 4.567,718 3.778,719 1.226,720 1.925,721 1.356,722 0.953,723 4.445,724 7.332,725 3.135,726 3.624,727 4.03,728 4.45,729 4.919,730 5.008,731 5.263,732 5.18,733 5.343,734 5.395,735 1,736 19,737 5.738,738 0.001,739 2.214,740 8.135,741 10.368,743 7.459,745 2.635,746 42.167,747 0.001,748 58.856,749 57.551,750 181.455,753 57.551,754 58.856,755 181.455,757 65.794,758 88.568,759 23.146,760 71.369,761 1.899,762 47.084,763 58.856,764 239.006,767 58.856,770 148.681,771 81.278,772 9.047,774 58.856,775 181.455,776 57.551,777 58.856,778 10.598,779 46.952,780 17.888,781 163.567,782 58.856,783 181.455,784 57.551,785 0.559,786 0.306,787 0.132,788 0.07,789 7,790 4,791 0.138,792 4,794 1,795 2.829,796 91.678,798 6,799 64,801 12.162,802 5.847,803 4.017,805 181.455,806 7.054,808 1.412,810 148.129,811 297.861,812 22,813 7.269,815 1.518,816 6.972,817 0.019,818 29.363,819 33.734,820 0.317,821 0.679,822 0.858,823 0.943,824 0.957,825 0.957,826 4.297,827 -0.19,828 5.004,829 0.485,830 3.714,831 4.304,832 1.247,833 5.673,834 3.645,835 5.486,836 -0.714,837 6.491,838 -0.397,839 3.219,840 3.951,841 0.623,842 6.368,843 3.102,844 6.757,845 -0.863,846 8.075,847 -1.665,848 5.176,849 6.365,850 1.032,851 9.313,852 5.054,853 8.061,854 -1,855 9.714,856 -2,857 5.442,858 6.771,859 0.819,860 10.788,861 5.279,862 9.388,863 -1.315,864 11.386,865 -2.336,866 6.891,867 8.674,868 0.995,869 13.242,870 6.729,871 10.733,872 -1.517,873 13.081,874 -2.86,875 7.515,876 9.46,877 0.94,878 15.057,879 7.325,880 12.091,881 -1.734,882 14.792,883 -4.042,884 8.736,885 11.117,886 1.036,887 17.321,888 8.546,889 2.817,890 -1.938,891 16.516,892 -4.734,893 9.545,894 12.119,895 1.043,896 19.3,897 9.337,898 2.375,899 8.464,900 18.248,901 -5.244,902 10.66,903 13.643,904 1.109,905 21.486,906 10.45,907 2.247,908 6.541,909 19.988,910 3.812,911 11.568,912 14.774,913 1.141,914 23.546,915 11.346,916 1.427,917 5.867,918 21.735,919 3.054,920 12.633,921 16.223,922 1.197,923 25.7,924 12.407,925 1.07,926 3.128,927 23.487,928 2.925,929 13.596,930 17.434,931 1.24,932 27.798,933 13.36,934 1,935 2.329,936 25.243,937 2.065,938 14.639,939 18.838,940 1.293,941 29.94,942 14.397,943 0.334,944 2.274,945 27.003,946 1.503,947 15.632,948 20.098,949 1.342,950 32.057,951 15.381,952 2028,953 3918,954 9.94,955 18.324,956 23.245,957 22.904,958 23.838,959 22.563,960 22.54,961 30.415,962 3.344,963 58.174,964 21.705,965 4.887,966 4.97,967 5.58,968 4.803,969 4.817,970 6.812,971 1.744,972 14.272,973 4.779,974 9.566,975 1.453,976 1.431,977 1.49,978 1.41,979 1.409,980 1.901,981 0.209,982 3.636,983 1.357,984 3.945,985 3.979,986 3.891,987 3.88,988 5.88,989 3.878,990 3.593,991 3.695,992 3.532,993 3.273,994 5.346,995 3.325,996 3.382,997 3.472,998 3.299,999 3.135,1000 4.907,1001 3.169,1002 3.159,1003 3.256,1004 3.05,1005 2.933,1006 4.818,1007 2.946,1008 2.824,1009 2.99,1010 2.61,1011 2.509,1012 4.758,1013 2.519,1014 2.72,1015 2.821,1016 2.523,1017 2.379,1018 4.471,1019 2.401,1020 2.618,1021 2.737,1022 2.426,1023 2.258,1024 3.671,1025 2.288,1026 2.415,1027 2.587,1028 2.114,1029 1.9,1030 3.551,1031 1.925,1032 0.263,1033 0.186,1034 0.373,1035 0.238,1036 0.176,1037 4.204,1038 0.238,1039 2.97,1040 0.067,1041 5.975,1042 0.529,1043 3.803,1044 0.174,1045 2.817,1046 3.812,1047 1.072,1048 8.464,1049 2.779,1050 1.924,1051 1.898,1052 2.022,1053 2.014,1054 1.107,1055 2.017,1056 1.434,1057 1.344,1058 1.576,1059 1.796,1060 0.404,1061 1.743,1062 1.283,1063 1.203,1064 1.465,1065 1.584,1066 0.263,1067 1.559,1068 1.089,1069 1.012,1070 1.316,1071 1.385,1072 0.192,1073 1.367,1074 0.724,1075 0.619,1076 1.129,1077 1.206,1079 1.2,1080 0.677,1081 0.521,1082 1.038,1083 0.98,1085 1.008,1086 0.568,1087 0.441,1088 0.926,1089 0.921,1091 0.935,1092 0.32,1093 0.131,1094 0.795,1095 0.799,1097 0.815,1098 3.497,1099 4.727,1101 6.142,1103 7.637,1105 9.175,1107 15.507,1110 2.417,1114 17.73,1115 44.595,1116 95.62,1117 120.881,1118 132.881,1119 134.881,1120 134.881,1121 25.051,1122 5.407,1123 138.66,1124 138.66,1125 6,1126 11.278,1127 3.322,1128 2.807,1129 34.756,1130 46,1131 46,1132 0.374,1133 119.704,1134 202.16,1135 283.837,1136 1137,1137 11.966,1138 0.748,1139 0.532,1140 11.966,1141 8.513,1142 7.63,1143 0.477,1144 0.275,1145 4.317,1146 7.25,1147 4.23,1148 3.599,1149 7.63,1150 4.401,1151 6.481,1152 0.324,1153 0.146,1154 6.481,1155 2.923,1156 4.772,1157 0.217,1158 0.079,1159 4.772,1160 1.729,1161 3.159,1162 0.137,1163 0.043,1164 3.159,1165 0.988,1166 2.374,1167 0.091,1168 0.023,1169 2.374,1170 0.604,1171 0.587,1172 48.513,1173 0.317,1174 16.579,1175 1.008,1176 72,1177 233.893,1178 80.493,1179 239.417,1180 315.77,1181 218,1182 78,1183 231.512,1184 85.743,1185 238.167,1186 328.19,1187 220,1188 6.678}
{0 CHEMBL151724,1 1.522,2 7.222,3 -0.045,4 0.002,5 67.656,6 8.01,7 0.632,8 3.511,9 3.662,10 3.11,11 3.031,12 4.847,13 3.037,14 3.878,15 4.036,16 3.432,17 3.363,18 5.236,19 3.349,20 4.108,21 4.301,22 3.467,23 3.471,24 5.411,25 3.436,26 4.16,27 4.387,28 3.345,29 3.406,30 5.393,31 3.345,32 4.133,33 4.399,34 3.264,35 3.288,36 5.351,37 3.214,38 3.911,39 4.163,40 3.059,41 3.101,42 5.185,43 3.03,44 3.715,45 3.955,46 2.804,47 2.898,48 4.984,49 2.831,50 3.606,51 3.883,52 2.495,53 2.653,54 4.807,55 2.536,56 0.076,57 0.504,58 5.463,59 1.948,60 17.591,61 2.62,62 0.099,63 0.714,64 8.084,65 3.371,66 23.564,67 4.564,68 0.162,69 0.83,70 11.162,71 3.804,72 28.884,73 5.364,74 0.161,75 0.806,76 12.826,77 4.049,78 33.919,79 5.994,80 0.242,81 0.731,82 13.942,83 4.306,84 42.306,85 6.522,86 0.224,87 0.598,88 10.704,89 3.271,90 29.653,91 4.838,92 0.134,93 0.492,94 8.423,95 2.31,96 23.32,97 3.5,98 0.096,99 0.394,100 8.319,101 2.432,102 22.462,103 3.836,104 21,105 26,106 0.288,107 0.629,108 0.689,109 0.714,110 0.714,111 0.714,112 2.96,113 0.819,114 -2.15,115 -2.2,116 -2.17,117 40,126 4,127 2,128 2,129 2,137 2,141 2,142 2,143 2,150 4,152 4,155 2,156 4,158 2,159 2,161 2,164 1,165 4,169 8,171 1,172 4,175 2,181 2,186 2,187 2,188 4,192 3,196 2,197 4,199 4,201 2,202 2,209 4,211 1,212 2,218 4,222 2,228 4,231 4,234 1,235 352,236 11.776,237 11.776,238 11.776,239 11.776,240 11.776,241 10.103,242 7.025,243 6.941,244 12.001,245 9.357,246 9.357,247 9.357,248 9.357,249 9.357,250 6.82,251 7.956,252 3.253,253 9.708,254 3.385,255 1.584,256 1.267,257 1.133,258 1.133,259 1.133,260 3.612,262 1,263 1,264 264,265 2.828,267 114.488,269 1.136,270 19.867,272 0.75,273 0.83,274 0.83,275 0.5,277 0.83,278 1,279 0.68,280 39,281 130,282 4.352,283 3.047,284 6.255,285 3.951,286 2.977,287 4.017,288 0.6,289 9.447,290 2.899,291 4.109,292 2.923,293 5.936,294 3.71,295 2.732,296 3.651,297 0.6,298 8.265,299 2.671,300 3.808,301 2.645,302 5.763,303 3.428,304 2.465,305 3.155,307 7.623,308 2.372,309 3.226,310 1.914,311 4.451,312 2.666,313 1.732,314 2.481,316 4.373,317 1.614,318 2.872,319 1.557,320 3.801,321 2.335,322 1.374,323 1.985,324 3.067,325 1.317,326 2.539,327 1.175,328 3.618,329 1.984,330 1,331 1.5,332 2.525,333 0.983,334 2.53,335 1.115,336 3.437,337 1.942,338 1,339 1.475,340 2.323,341 0.94,342 2.5,343 1,344 3.433,345 1.933,346 1,347 1.47,349 2.319,350 0.931,351 0.936,352 -0.352,353 2.517,354 0.484,355 -0.483,356 -0.656,358 -1.198,359 -0.467,360 0.755,361 -0.354,362 2,363 0.239,364 -0.732,365 -0.964,367 -1.802,368 -0.71,369 0.691,370 -0.481,371 2,372 0.182,373 -0.792,374 -1.038,376 -2,377 -0.77,378 0.5,379 -0.69,380 1.718,381 -0.049,382 -1,383 -1.427,385 -2,386 -0.9,387 0.41,388 -0.758,389 1.495,390 -0.1,391 -1,392 -1.431,394 -2.25,395 -0.9,396 0.406,397 -1,398 1.382,399 -0.1,400 -1,401 -1.5,403 -2.723,404 -0.946,405 -0.423,406 -1.563,407 1.284,408 -0.643,409 -1.616,410 -2.056,412 -5.232,413 -1.563,414 8.4,415 0.467,416 0.511,417 0.028,418 26.5,419 1.472,420 15,421 0.833,422 11.5,423 0.639,424 9.529,425 0.529,426 18.6,427 0.62,428 18.304,429 1.017,430 5.538,431 0.308,432 3.038,433 0.169,434 0.19,435 0.357,436 1.245,437 1.071,438 0.832,439 0.762,440 1.308,441 0.729,442 0.666,443 1.145,444 0.732,445 1.04,446 0.475,447 0.923,448 1.108,449 1.141,450 1.044,451 1.072,452 1.032,453 1.05,454 1.116,455 1.255,456 1.092,457 1.186,458 1.139,459 1.143,460 0.691,461 0.881,462 0.827,463 0.937,464 0.713,465 0.912,466 0.846,467 0.767,468 1.002,469 0.934,470 0.588,471 0.986,472 1.411,473 1.176,474 1.275,475 1.136,476 1.331,477 1.173,478 0.943,479 1.316,480 1.069,481 1.301,482 1.199,483 1.224,484 4,486 2.222,487 1,488 0.764,489 0.778,490 0.245,491 0.194,492 0.18,494 2471,495 8163,496 1.963,497 40,499 4,501 2,502 6,506 1.589,507 1.8,508 2.933,509 4.004,511 1,514 45.658,515 1.522,516 3.323,517 3.64,518 3.774,519 3.774,520 3.774,521 2.281,522 2.503,523 4.144,524 3.018,525 461.681,526 7.042,527 4345.14,529 1,531 147.207,532 1.53,533 4.076,534 0.211,536 0.085,537 0.038,538 0.035,539 0.039,540 0.015,541 0.016,542 0.023,544 0.462,545 0.5,546 1,547 1.066,548 75.768,549 -0.338,550 0.122,551 -0.051,552 0.221,553 -0.403,554 0.152,555 0.108,556 -0.013,557 0.067,558 -0.008,559 0.195,560 0.017,561 -0.196,562 -0.062,563 -0.182,564 -0.096,565 -0.147,566 -0.129,567 -0.197,568 -0.267,569 -0.162,570 -0.212,571 -0.221,572 -0.186,573 0.255,574 0.021,575 0.191,576 0.044,577 0.135,578 0.095,579 0.166,580 0.189,581 -0.015,582 0.02,583 0.198,584 -0.022,585 -0.36,586 -0.195,587 -0.316,588 -0.212,589 -0.277,590 -0.248,591 -0.026,592 -0.477,593 -0.027,594 -0.323,595 -0.065,596 -0.201,597 1.693,598 2.38,599 0.667,600 11.062,601 1.009,602 1.141,603 0.922,604 0.849,605 0.677,606 2.996,607 3.296,608 3.497,609 3.664,610 3.892,611 3.85,612 3.912,613 3.807,614 3.761,615 3.611,616 4.58,617 0.657,618 240.3,619 2.996,620 4.511,621 5.333,622 6.188,623 7.034,624 7.892,625 8.745,626 9.603,627 10.46,628 11.319,629 20,630 2,636 2,637 2,639 6,640 2,641 4,643 12,647 30,648 14,650 19,651 31,652 12,653 10,656 2,657 2,658 2,664 12,666 2,667 2,671 2,673 1,674 12,675 6,676 6,677 6,680 6,681 2,682 1,686 2,689 2,694 2,700 2,703 18,704 2,716 10,717 5.067,718 4,719 1.435,720 2.519,721 1.414,722 0.998,723 3.24,724 8.606,725 3.332,726 3.912,727 4.46,728 4.992,729 5.564,730 5.752,731 6.167,732 6.36,733 6.668,734 6.865,735 0.8,736 26,737 6.529,739 2.701,740 8.056,741 11.939,743 9.265,745 2.556,746 46,748 70.627,749 72.54,750 162.709,753 72.54,754 70.627,755 162.709,757 65.794,758 37.905,759 61.769,760 93.323,762 47.084,763 70.627,764 235.25,767 70.627,770 152.747,771 48.932,772 33.571,774 70.627,775 162.709,776 72.54,777 70.627,778 16.54,779 56,781 162.709,782 70.627,783 162.709,784 72.54,785 0.583,786 0.331,787 0.161,788 0.092,789 12,790 6,791 0.097,792 3,794 1,795 2.956,796 123.567,798 12,799 57.059,801 12.052,802 4.839,803 2.653,805 162.709,806 9.785,807 8.333,808 2.335,810 129.138,811 305.876,812 27,813 14.761,817 -0.053,818 30.262,819 34.235,820 0.31,821 0.677,822 0.742,823 0.769,824 0.769,825 0.769,826 4.533,827 1,828 5.323,829 2.323,830 3.97,831 4.595,832 0.892,833 6.098,834 3.902,835 5.751,836 -0.483,837 6.872,838 2.319,839 3.611,840 4.369,842 6.963,843 3.512,844 7.052,845 -0.732,846 8.521,847 -1.198,848 5.533,849 6.759,850 0.418,851 9.989,852 5.414,853 8.386,854 -0.792,855 10.226,856 -1.802,857 5.943,858 7.292,860 11.626,861 5.796,862 9.748,863 -1,864 11.964,865 -2,866 7.378,867 9.188,868 0.171,869 14.156,870 7.211,871 11.129,872 -1,873 13.723,874 -2,875 8.128,876 10.086,878 16.106,879 7.934,880 12.526,881 -1,882 15.496,883 -2.25,884 9.356,885 11.746,886 0.065,887 18.447,888 9.139,889 2.977,890 -1.616,891 17.278,892 -2.723,893 10.267,894 12.843,896 20.539,897 10.024,898 2.732,899 9.447,900 19.067,901 -5.232,902 11.402,903 14.376,904 0.024,905 22.806,906 11.135,907 2.465,908 8.265,909 20.861,910 4.017,911 12.392,912 15.587,914 24.966,915 12.1,916 1.732,917 7.623,918 22.658,919 3.651,920 13.488,921 17.051,922 0.009,923 27.205,924 13.17,925 1.374,926 4.373,927 24.457,928 3.155,929 14.517,930 18.329,932 29.399,933 14.175,934 1,935 3.067,936 26.259,937 2.481,938 15.597,939 19.754,940 0.003,941 31.63,942 15.229,943 1,944 2.525,945 28.063,946 1.985,947 16.648,948 21.073,950 33.843,951 16.254,952 2581,953 4754,954 12.137,955 20.318,956 29.134,957 28.563,958 29.595,959 28.571,960 28.559,961 39.469,962 2.4,963 79.884,964 27.451,965 5.028,966 5.047,967 5.804,968 4.992,969 4.977,970 7.017,971 1.2,972 15.88,973 4.861,974 10.12,975 1.533,976 1.503,977 1.558,978 1.504,979 1.503,980 2.077,981 0.126,982 4.204,983 1.445,984 3.989,985 4.026,986 3.951,987 3.892,988 5.885,989 3.902,990 3.78,991 3.824,992 3.728,993 3.677,994 5.875,995 3.684,996 3.363,997 3.458,998 3.288,999 3.097,1000 4.954,1001 3.136,1002 3.267,1003 3.368,1004 3.167,1005 2.979,1006 4.8,1007 3.015,1008 2.93,1009 2.985,1010 2.807,1011 2.829,1012 4.784,1013 2.818,1014 2.685,1015 2.776,1016 2.516,1017 2.512,1018 4.67,1019 2.502,1020 2.585,1021 2.71,1022 2.435,1023 2.3,1024 3.728,1025 2.323,1026 2.447,1027 2.616,1028 2.214,1029 2.068,1030 3.679,1031 2.093,1032 0.229,1033 0.16,1034 0.329,1035 0.208,1036 0.157,1037 4.352,1038 0.211,1039 3.047,1040 0.032,1041 6.255,1042 0.497,1043 3.951,1044 0.153,1045 2.977,1046 4.017,1047 0.6,1048 9.447,1049 2.899,1050 1.934,1051 1.903,1052 2.008,1053 2.051,1054 1.072,1055 2.041,1056 1.75,1057 1.715,1058 1.853,1059 1.887,1060 0.889,1061 1.879,1062 1.243,1063 1.161,1064 1.421,1065 1.57,1066 0.285,1067 1.537,1068 1.16,1069 1.067,1070 1.382,1071 1.494,1072 0.139,1073 1.472,1074 0.951,1075 0.899,1076 1.187,1077 1.091,1078 0.067,1079 1.127,1080 0.691,1081 0.61,1082 1.017,1083 0.94,1085 0.968,1086 0.516,1087 0.409,1088 0.872,1089 0.908,1091 0.912,1092 0.359,1093 0.203,1094 0.82,1095 0.832,1097 0.848,1098 3.664,1099 4.963,1101 6.46,1103 8.04,1105 9.663,1107 10.84,1114 19.709,1115 45.658,1116 99.697,1117 109.207,1118 113.207,1119 113.207,1120 113.207,1121 28.014,1122 6.087,1123 125.52,1124 125.52,1125 12,1126 11.87,1127 3.907,1128 3.17,1129 30.895,1130 49,1131 40,1132 0.322,1133 128.438,1134 214.52,1135 305.15,1136 2739,1137 13.121,1138 0.729,1139 0.529,1140 13.121,1141 9.513,1142 8.575,1143 0.451,1144 0.273,1145 5.121,1146 8.283,1147 5.011,1148 4.195,1149 8.575,1150 5.19,1151 7.862,1152 0.302,1153 0.142,1154 7.862,1155 3.687,1156 6.063,1157 0.189,1158 0.075,1159 6.063,1160 2.404,1161 4.601,1162 0.121,1163 0.039,1164 4.601,1165 1.476,1166 3.818,1167 0.08,1168 0.02,1169 3.818,1170 0.956,1171 0.487,1172 53.515,1173 0.287,1174 17.855,1175 0.93,1176 90,1177 264.58,1178 97.66,1179 271.872,1180 368.06,1181 250,1182 103,1183 272.873,1184 110.022,1185 282.146,1186 402.84,1187 264,1188 5.509}
{0 CHEMBL191400,1 1.499,2 7.231,3 -2.023,4 4.094,5 48.866,6 7.37,8 3.313,9 3.525,10 2.783,11 2.502,12 4.73,13 2.554,14 3.605,15 3.856,16 2.97,17 2.677,18 5.03,19 2.681,20 3.715,21 3.99,22 2.825,23 2.637,24 5.113,25 2.65,26 3.678,27 3.997,28 2.652,29 2.599,30 4.799,31 2.562,32 3.381,33 3.591,34 2.653,35 2.576,36 4.673,37 2.549,38 3.623,39 3.897,40 2.579,41 2.584,42 4.932,43 2.498,44 3.705,45 4.072,46 2.226,47 2.374,48 4.818,49 2.225,50 3.22,51 3.587,52 1.877,53 1.966,54 4.154,55 1.866,56 0.161,57 0.268,58 5.779,59 0.898,60 21.358,61 2.084,62 0.215,63 0.265,64 8.189,65 1.614,66 28.985,67 3.262,68 0.349,69 0.24,70 9.648,71 0.944,72 38.896,73 2.616,74 0.297,75 0.252,76 9.808,77 1.275,78 29.069,79 3.061,80 0.123,81 0.24,82 6.083,83 1.371,84 12.545,85 2.743,86 0.232,87 0.17,88 8.61,89 1.574,90 30.891,91 3.28,92 0.345,93 0.111,94 10.776,95 1.291,96 43.209,97 3.158,98 0.181,99 0.09,100 6.562,101 0.629,102 21.44,103 1.909,104 41,105 14,106 0.312,107 0.577,108 0.627,109 0.644,110 0.66,111 0.693,112 2.659,113 0.818,114 -0.47,115 -0.6,116 -0.74,117 20,118 1,133 1,135 1,138 2,141 4,142 4,143 4,144 2,152 1,153 4,154 4,155 2,158 4,163 2,164 1,165 2,166 4,167 4,174 2,175 1,185 1,190 2,193 2,196 4,197 4,199 2,202 2,206 4,207 4,228 4,231 8,234 4,235 173,236 7.966,237 7.966,238 7.966,239 7.966,240 7.966,241 6.773,242 10.137,243 5.072,244 8.275,245 5.916,246 5.916,247 5.916,248 5.916,249 5.916,250 4.386,251 10.749,252 2.454,253 6.361,254 3.145,255 1.87,256 1.63,257 1.55,258 1.47,259 1.31,260 3.231,263 1,264 167,265 3.742,269 1.325,270 11.688,272 0.75,273 0.67,274 0.67,275 0.6,276 0.5,277 0.67,278 0.5,279 0.62,280 30,281 94,282 3.909,283 2.985,284 5.073,285 3.39,286 2.44,287 3.274,288 1.072,289 6.192,290 2.317,291 3.68,292 2.789,293 4.656,294 3.13,295 2.217,296 2.95,297 1.072,298 5.175,299 2.023,300 3.488,301 2.639,302 4.562,303 2.987,304 2.066,305 2.664,306 0.782,307 4.928,308 1.897,309 2.64,310 1.645,311 3.243,312 2.02,313 1.081,314 1.466,316 2.25,317 1.012,318 1.505,319 0.709,320 2.606,321 1.422,322 0.449,323 0.461,324 0.94,325 0.436,326 1.067,327 0.207,328 2,329 0.647,330 -0.299,331 -0.371,332 -0.651,333 -0.282,334 0.533,335 -0.246,336 1.529,337 -0.071,338 -1,339 -1,340 -2,341 -0.9,343 -0.6,344 1.217,345 -0.1,346 -1,347 -1,348 -0.4,349 -2,350 -0.9,352 -0.6,353 1,354 -0.1,355 -1,356 -1.42,357 -0.4,358 -2.477,359 -0.926,361 -0.862,362 1,363 -0.338,364 -1.283,365 -1.779,366 -0.672,367 -3.326,368 -1.217,369 -0.311,370 -1.267,371 0.676,372 -0.803,373 -1.743,374 -2.486,375 -0.672,376 -4.156,377 -1.639,378 -0.51,379 -1.519,380 0.438,381 -0.983,382 -1.928,383 -2.759,384 -0.782,385 -4.874,386 -1.821,414 5.7,415 0.438,416 0.394,417 0.03,418 14,419 1.077,420 6,421 0.462,422 8,423 0.615,424 7.678,425 0.591,426 15.9,427 0.636,428 9.728,429 0.748,430 3.512,431 0.27,432 2.508,433 0.193,434 0.368,435 0.263,436 1.292,437 1.704,438 0.988,439 1.141,440 1.615,441 0.984,442 0.407,443 1.485,444 0.615,445 1.45,446 0.256,447 1.083,448 1.604,449 0.824,450 1.427,451 0.812,452 1.413,453 1.077,454 1.182,455 0.696,456 0.918,457 0.468,458 0.809,459 0.626,460 0.927,461 2.058,462 1.094,463 1.948,464 0.937,465 1.561,466 0.79,467 1.344,468 1.154,469 1.694,470 1.048,471 1.517,472 0.902,473 0.312,474 0.927,475 0.53,476 0.896,477 0.737,478 1.042,479 0.742,480 0.723,481 0.378,482 0.833,483 0.469,484 3.5,486 1.111,487 0.5,488 0.4,489 0.278,490 0.122,491 0.062,492 0.099,494 956,495 4032,496 1.682,497 48,501 1,502 8,503 3,506 1.474,507 1.529,508 2.906,509 7.177,514 37.467,515 1.499,516 2.774,517 3.014,518 3.094,519 3.174,520 3.334,521 2.258,522 3.393,523 3.67,524 3.049,525 237.837,526 6.037,527 1895.66,531 116.096,532 1.549,533 3.574,534 0.292,536 0.079,537 0.045,538 0.04,539 0.028,540 0.015,541 0.012,542 0.025,544 0.537,545 0.5,546 1,547 2.192,548 50.134,549 -0.308,550 -0.226,551 -0.086,552 0.066,553 -0.547,554 0.047,555 0.471,556 -0.191,557 0.302,558 -0.228,559 0.559,560 -0.004,561 -0.433,562 0.173,563 -0.454,564 -0.045,565 -0.416,566 -0.257,567 -0.201,568 0.147,569 0.063,570 0.418,571 -0.07,572 0.308,573 -0.156,574 -0.459,575 -0.248,576 -0.497,577 -0.15,578 -0.395,579 0.086,580 -0.182,581 -0.241,582 -0.567,583 -0.05,584 -0.488,585 0.092,586 0.213,587 0.092,588 0.176,589 0.068,590 0.134,591 -0.1,592 -0.24,593 0.298,594 0.373,595 0.022,596 0.439,597 1.8,598 1.026,600 8.793,601 1.023,602 1.193,603 -0.762,604 0.58,605 0.583,606 2.565,607 2.708,608 2.485,609 2.398,610 2.398,611 2.197,612 1.792,613 1.609,614 1.609,616 4.655,617 0.569,618 184.25,619 2.565,620 3.97,621 4.635,622 5.389,623 6.08,624 6.832,625 7.534,626 8.284,627 8.993,628 9.74,629 32,630 4,636 4,647 25,648 4,650 12,651 24,652 5,656 4,660 2,661 1,664 4,665 1,666 4,669 1,670 4,671 3,674 12,675 8,676 8,677 8,680 8,691 2,694 4,702 1,703 13,704 4,716 8.5,717 4.217,718 3.083,719 0.963,720 1.472,721 1.326,722 0.886,723 5.422,724 5.994,725 2.833,726 3.258,727 3.367,728 3.664,729 3.892,730 4.043,731 3.892,732 4.174,733 4.174,735 0.8,736 11,737 4.601,738 -0.003,739 1.62,740 8.346,741 8.047,742 -0.002,743 5.061,744 0.005,745 2.846,746 37,747 0.002,748 47.084,749 24.428,750 198.241,753 24.428,754 47.084,755 198.241,756 8.825,757 131.589,759 23.575,760 66.652,761 3.798,762 35.313,763 47.084,764 222.668,767 47.084,770 207.066,771 6.555,772 9.047,774 47.084,775 198.241,776 24.428,777 47.084,778 6.555,779 17.873,781 198.241,782 47.084,783 198.241,784 24.428,785 0.549,786 0.231,787 0.092,788 0.057,789 3,790 3,791 0.125,792 3,795 2.478,796 58.666,799 44.106,801 11.545,802 6.105,803 8.452,805 198.241,810 131.589,811 269.753,812 16,815 1.312,816 13.777,817 0.207,818 25.582,819 29.817,820 0.323,821 0.597,822 0.649,823 0.666,824 0.683,825 0.718,826 3.97,827 -1,828 4.575,829 -2,830 3.367,831 3.932,832 1.748,833 5.094,834 3.232,835 5.17,836 -1,837 5.979,838 -2,839 2.944,840 3.611,841 1.004,842 5.533,843 2.718,844 6.431,845 -1.283,846 7.467,847 -2.477,848 4.691,849 5.883,850 1.578,851 8.258,852 4.42,853 7.715,854 -1.743,855 8.993,856 -3.326,857 4.875,858 6.133,859 1.263,860 9.326,861 4.51,862 9.012,863 -1.928,864 10.54,865 -4.156,866 6.209,867 7.999,868 1.544,869 11.611,870 5.808,871 10.318,873 12.099,874 -4.874,875 6.666,876 8.531,877 1.416,878 12.964,879 6.183,880 11.63,882 13.667,884 7.808,885 10.183,886 1.578,887 15.053,888 7.287,889 2.44,891 15.24,893 8.416,894 10.893,895 1.542,896 16.574,897 7.825,898 2.217,899 6.192,900 16.818,902 9.453,903 12.407,904 1.651,905 18.554,906 8.82,907 2.066,908 5.175,909 18.399,910 3.274,911 10.154,912 13.244,913 1.661,914 20.181,915 9.461,916 1.081,917 4.928,918 19.983,919 2.95,920 11.129,921 14.662,922 1.743,923 22.099,924 10.391,925 0.449,926 2.25,927 21.57,928 2.664,929 11.89,930 15.592,931 1.777,932 23.795,933 11.099,934 -0.299,935 0.94,936 23.16,937 1.466,938 12.827,939 16.941,940 1.849,941 25.674,942 11.991,943 -1,944 -0.651,945 24.752,946 0.461,947 13.629,948 17.94,949 1.895,950 27.416,951 12.744,952 1151,953 2445,954 6.762,955 14.568,956 17.109,957 16.634,958 16.946,959 16.563,960 16.507,961 21.632,962 5.852,963 38.969,964 15.371,965 4.419,966 4.504,967 4.635,968 4.373,969 4.367,970 6.033,971 1.854,972 11.066,973 4.139,974 9.184,975 1.426,976 1.386,977 1.412,978 1.38,979 1.376,980 1.803,981 0.488,982 3.247,983 1.281,984 3.732,985 3.813,986 3.68,987 3.5,988 5.371,989 3.532,990 3.524,991 3.631,992 3.458,993 3.182,994 5.336,995 3.242,996 3.369,997 3.47,998 3.244,999 3.082,1000 4.798,1001 3.116,1002 2.922,1003 3.045,1004 2.724,1005 2.624,1006 4.659,1007 2.626,1008 2.608,1009 2.803,1010 2.336,1011 2.084,1012 4.659,1013 2.139,1014 2.608,1015 2.803,1016 2.27,1017 2.061,1018 4.443,1019 2.083,1020 2.544,1021 2.694,1022 2.27,1023 2.061,1024 3.765,1025 2.083,1026 2.081,1027 2.229,1028 1.848,1029 1.634,1030 3.337,1031 1.668,1032 0.326,1033 0.249,1034 0.423,1035 0.282,1036 0.203,1037 3.909,1038 0.273,1039 2.985,1040 0.089,1041 5.073,1042 0.516,1043 3.39,1044 0.193,1045 2.44,1046 3.274,1047 1.072,1048 6.192,1049 2.317,1050 1.618,1051 1.551,1052 1.788,1053 1.88,1054 0.806,1055 1.847,1056 1.369,1057 1.268,1058 1.547,1059 1.744,1060 0.225,1061 1.696,1062 1.278,1063 1.177,1064 1.519,1065 1.605,1066 0.107,1067 1.6,1068 0.879,1069 0.763,1070 1.215,1071 1.217,1072 0.047,1073 1.228,1074 0.508,1075 0.307,1076 1.021,1077 1.057,1079 1.064,1080 0.508,1081 0.307,1082 1.021,1083 1.057,1085 1.064,1086 0.381,1087 0.234,1088 0.62,1089 0.859,1091 0.808,1094 0.333,1095 0.415,1097 0.409,1098 3.219,1099 4.394,1101 5.687,1103 7.029,1105 8.4,1106 1.637,1107 20.067,1114 14.225,1115 37.467,1116 69.342,1117 75.342,1118 77.342,1119 79.342,1120 83.342,1121 20.771,1122 4.522,1123 153.52,1124 153.52,1126 10.392,1127 2.322,1128 2.322,1129 42.856,1130 35,1131 27,1132 0.606,1133 101.377,1134 172.5,1135 239.12,1136 314,1137 10.268,1138 0.79,1139 0.552,1140 10.268,1141 7.176,1142 6.02,1143 0.502,1144 0.273,1145 3.176,1146 5.575,1147 3.066,1148 2.672,1149 6.02,1150 3.272,1151 5.401,1152 0.386,1153 0.145,1154 5.401,1155 2.036,1156 2.715,1157 0.247,1158 0.067,1159 2.715,1160 0.741,1161 1.637,1162 0.164,1163 0.034,1164 1.637,1165 0.342,1166 1.191,1167 0.119,1168 0.019,1169 1.191,1170 0.191,1171 0.965,1172 39.136,1173 0.385,1174 13.925,1175 1.586,1176 52,1177 213.829,1178 62.99,1179 214.927,1180 277.51,1181 194,1182 51,1183 204.952,1184 60.131,1185 206.727,1186 276.07,1187 189,1188 5.854}
{0 CHEMBL216913,1 1.499,2 7.231,3 -2.023,4 4.094,5 48.866,6 7.37,8 3.313,9 3.525,10 2.783,11 2.502,12 4.73,13 2.554,14 3.605,15 3.856,16 2.97,17 2.677,18 5.03,19 2.681,20 3.715,21 3.99,22 2.825,23 2.637,24 5.113,25 2.65,26 3.678,27 3.997,28 2.652,29 2.599,30 4.799,31 2.562,32 3.381,33 3.591,34 2.653,35 2.576,36 4.673,37 2.549,38 3.623,39 3.897,40 2.579,41 2.584,42 4.932,43 2.498,44 3.705,45 4.072,46 2.226,47 2.374,48 4.818,49 2.225,50 3.22,51 3.587,52 1.877,53 1.966,54 4.154,55 1.866,56 0.161,57 0.268,58 5.779,59 0.898,60 21.358,61 2.084,62 0.215,63 0.265,64 8.189,65 1.614,66 28.985,67 3.262,68 0.349,69 0.24,70 9.648,71 0.944,72 38.896,73 2.616,74 0.297,75 0.252,76 9.808,77 1.275,78 29.069,79 3.061,80 0.123,81 0.24,82 6.083,83 1.371,84 12.545,85 2.743,86 0.232,87 0.17,88 8.61,89 1.574,90 30.891,91 3.28,92 0.345,93 0.111,94 10.776,95 1.291,96 43.209,97 3.158,98 0.181,99 0.09,100 6.562,101 0.629,102 21.44,103 1.909,104 41,105 14,106 0.312,107 0.577,108 0.627,109 0.644,110 0.66,111 0.693,112 2.659,113 0.818,114 -0.47,115 -0.6,116 -0.74,117 20,118 1,133 1,135 1,138 2,141 4,142 4,143 4,144 2,152 1,153 4,154 4,155 2,158 4,163 2,164 1,165 2,166 4,167 4,174 2,175 1,185 1,190 2,193 2,196 4,197 4,199 2,202 2,206 4,207 4,228 4,231 8,234 4,235 173,236 7.966,237 7.966,238 7.966,239 7.966,240 7.966,241 6.773,242 10.137,243 5.072,244 8.275,245 5.916,246 5.916,247 5.916,248 5.916,249 5.916,250 4.386,251 10.749,252 2.454,253 6.361,254 3.145,255 1.87,256 1.63,257 1.55,258 1.47,259 1.31,260 3.231,263 1,264 167,265 3.742,269 1.325,270 11.688,272 0.75,273 0.67,274 0.67,275 0.6,276 0.5,277 0.67,278 0.5,279 0.62,280 30,281 94,282 3.909,283 2.985,284 5.073,285 3.39,286 2.44,287 3.274,288 1.072,289 6.192,290 2.317,291 3.68,292 2.789,293 4.656,294 3.13,295 2.217,296 2.95,297 1.072,298 5.175,299 2.023,300 3.488,301 2.639,302 4.562,303 2.987,304 2.066,305 2.664,306 0.782,307 4.928,308 1.897,309 2.64,310 1.645,311 3.243,312 2.02,313 1.081,314 1.466,316 2.25,317 1.012,318 1.505,319 0.709,320 2.606,321 1.422,322 0.449,323 0.461,324 0.94,325 0.436,326 1.067,327 0.207,328 2,329 0.647,330 -0.299,331 -0.371,332 -0.651,333 -0.282,334 0.533,335 -0.246,336 1.529,337 -0.071,338 -1,339 -1,340 -2,341 -0.9,343 -0.6,344 1.217,345 -0.1,346 -1,347 -1,348 -0.4,349 -2,350 -0.9,352 -0.6,353 1,354 -0.1,355 -1,356 -1.42,357 -0.4,358 -2.477,359 -0.926,361 -0.862,362 1,363 -0.338,364 -1.283,365 -1.779,366 -0.672,367 -3.326,368 -1.217,369 -0.311,370 -1.267,371 0.676,372 -0.803,373 -1.743,374 -2.486,375 -0.672,376 -4.156,377 -1.639,378 -0.51,379 -1.519,380 0.438,381 -0.983,382 -1.928,383 -2.759,384 -0.782,385 -4.874,386 -1.821,414 5.7,415 0.438,416 0.394,417 0.03,418 14,419 1.077,420 6,421 0.462,422 8,423 0.615,424 7.678,425 0.591,426 15.9,427 0.636,428 9.728,429 0.748,430 3.512,431 0.27,432 2.508,433 0.193,434 0.368,435 0.263,436 1.292,437 1.704,438 0.988,439 1.141,440 1.615,441 0.984,442 0.407,443 1.485,444 0.615,445 1.45,446 0.256,447 1.083,448 1.604,449 0.824,450 1.427,451 0.812,452 1.413,453 1.077,454 1.182,455 0.696,456 0.918,457 0.468,458 0.809,459 0.626,460 0.927,461 2.058,462 1.094,463 1.948,464 0.937,465 1.561,466 0.79,467 1.344,468 1.154,469 1.694,470 1.048,471 1.517,472 0.902,473 0.312,474 0.927,475 0.53,476 0.896,477 0.737,478 1.042,479 0.742,480 0.723,481 0.378,482 0.833,483 0.469,484 3.5,486 1.111,487 0.5,488 0.4,489 0.278,490 0.122,491 0.062,492 0.099,494 956,495 4032,496 1.682,497 48,501 1,502 8,503 3,506 1.474,507 1.529,508 2.906,509 7.177,514 37.467,515 1.499,516 2.774,517 3.014,518 3.094,519 3.174,520 3.334,521 2.258,522 3.393,523 3.67,524 3.049,525 237.837,526 6.037,527 1895.66,531 116.096,532 1.549,533 3.574,534 0.292,536 0.079,537 0.045,538 0.04,539 0.028,540 0.015,541 0.012,542 0.025,544 0.537,545 0.5,546 1,547 2.192,548 50.134,549 -0.308,550 -0.226,551 -0.086,552 0.066,553 -0.547,554 0.047,555 0.471,556 -0.191,557 0.302,558 -0.228,559 0.559,560 -0.004,561 -0.433,562 0.173,563 -0.454,564 -0.045,565 -0.416,566 -0.257,567 -0.201,568 0.147,569 0.063,570 0.418,571 -0.07,572 0.308,573 -0.156,574 -0.459,575 -0.248,576 -0.497,577 -0.15,578 -0.395,579 0.086,580 -0.182,581 -0.241,582 -0.567,583 -0.05,584 -0.488,585 0.092,586 0.213,587 0.092,588 0.176,589 0.068,590 0.134,591 -0.1,592 -0.24,593 0.298,594 0.373,595 0.022,596 0.439,597 1.8,598 1.026,600 8.793,601 1.023,602 1.193,603 -0.762,604 0.58,605 0.583,606 2.565,607 2.708,608 2.485,609 2.398,610 2.398,611 2.197,612 1.792,613 1.609,614 1.609,616 4.655,617 0.569,618 184.25,619 2.565,620 3.97,621 4.635,622 5.389,623 6.08,624 6.832,625 7.534,626 8.284,627 8.993,628 9.74,629 32,630 4,636 4,647 25,648 4,650 12,651 24,652 5,656 4,660 2,661 1,664 4,665 1,666 4,669 1,670 4,671 3,674 12,675 8,676 8,677 8,680 8,691 2,694 4,702 1,703 13,704 4,716 8.5,717 4.217,718 3.083,719 0.963,720 1.472,721 1.326,722 0.886,723 5.422,724 5.994,725 2.833,726 3.258,727 3.367,728 3.664,729 3.892,730 4.043,731 3.892,732 4.174,733 4.174,735 0.8,736 11,737 4.601,738 -0.003,739 1.62,740 8.346,741 8.047,742 -0.002,743 5.061,744 0.005,745 2.846,746 37,747 0.002,748 47.084,749 24.428,750 198.241,753 24.428,754 47.084,755 198.241,756 8.825,757 131.589,759 23.575,760 66.652,761 3.798,762 35.313,763 47.084,764 222.668,767 47.084,770 207.066,771 6.555,772 9.047,774 47.084,775 198.241,776 24.428,777 47.084,778 6.555,779 17.873,781 198.241,782 47.084,783 198.241,784 24.428,785 0.549,786 0.231,787 0.092,788 0.057,789 3,790 3,791 0.125,792 3,795 2.478,796 58.666,799 44.106,801 11.545,802 6.105,803 8.452,805 198.241,810 131.589,811 269.753,812 16,815 1.312,816 13.777,817 0.207,818 25.582,819 29.817,820 0.323,821 0.597,822 0.649,823 0.666,824 0.683,825 0.718,826 3.97,827 -1,828 4.575,829 -2,830 3.367,831 3.932,832 1.748,833 5.094,834 3.232,835 5.17,836 -1,837 5.979,838 -2,839 2.944,840 3.611,841 1.004,842 5.533,843 2.718,844 6.431,845 -1.283,846 7.467,847 -2.477,848 4.691,849 5.883,850 1.578,851 8.258,852 4.42,853 7.715,854 -1.743,855 8.993,856 -3.326,857 4.875,858 6.133,859 1.263,860 9.326,861 4.51,862 9.012,863 -1.928,864 10.54,865 -4.156,866 6.209,867 7.999,868 1.544,869 11.611,870 5.808,871 10.318,873 12.099,874 -4.874,875 6.666,876 8.531,877 1.416,878 12.964,879 6.183,880 11.63,882 13.667,884 7.808,885 10.183,886 1.578,887 15.053,888 7.287,889 2.44,891 15.24,893 8.416,894 10.893,895 1.542,896 16.574,897 7.825,898 2.217,899 6.192,900 16.818,902 9.453,903 12.407,904 1.651,905 18.554,906 8.82,907 2.066,908 5.175,909 18.399,910 3.274,911 10.154,912 13.244,913 1.661,914 20.181,915 9.461,916 1.081,917 4.928,918 19.983,919 2.95,920 11.129,921 14.662,922 1.743,923 22.099,924 10.391,925 0.449,926 2.25,927 21.57,928 2.664,929 11.89,930 15.592,931 1.777,932 23.795,933 11.099,934 -0.299,935 0.94,936 23.16,937 1.466,938 12.827,939 16.941,940 1.849,941 25.674,942 11.991,943 -1,944 -0.651,945 24.752,946 0.461,947 13.629,948 17.94,949 1.895,950 27.416,951 12.744,952 1151,953 2445,954 6.762,955 14.568,956 17.109,957 16.634,958 16.946,959 16.563,960 16.507,961 21.632,962 5.852,963 38.969,964 15.371,965 4.419,966 4.504,967 4.635,968 4.373,969 4.367,970 6.033,971 1.854,972 11.066,973 4.139,974 9.184,975 1.426,976 1.386,977 1.412,978 1.38,979 1.376,980 1.803,981 0.488,982 3.247,983 1.281,984 3.732,985 3.813,986 3.68,987 3.5,988 5.371,989 3.532,990 3.524,991 3.631,992 3.458,993 3.182,994 5.336,995 3.242,996 3.369,997 3.47,998 3.244,999 3.082,1000 4.798,1001 3.116,1002 2.922,1003 3.045,1004 2.724,1005 2.624,1006 4.659,1007 2.626,1008 2.608,1009 2.803,1010 2.336,1011 2.084,1012 4.659,1013 2.139,1014 2.608,1015 2.803,1016 2.27,1017 2.061,1018 4.443,1019 2.083,1020 2.544,1021 2.694,1022 2.27,1023 2.061,1024 3.765,1025 2.083,1026 2.081,1027 2.229,1028 1.848,1029 1.634,1030 3.337,1031 1.668,1032 0.326,1033 0.249,1034 0.423,1035 0.282,1036 0.203,1037 3.909,1038 0.273,1039 2.985,1040 0.089,1041 5.073,1042 0.516,1043 3.39,1044 0.193,1045 2.44,1046 3.274,1047 1.072,1048 6.192,1049 2.317,1050 1.618,1051 1.551,1052 1.788,1053 1.88,1054 0.806,1055 1.847,1056 1.369,1057 1.268,1058 1.547,1059 1.744,1060 0.225,1061 1.696,1062 1.278,1063 1.177,1064 1.519,1065 1.605,1066 0.107,1067 1.6,1068 0.879,1069 0.763,1070 1.215,1071 1.217,1072 0.047,1073 1.228,1074 0.508,1075 0.307,1076 1.021,1077 1.057,1079 1.064,1080 0.508,1081 0.307,1082 1.021,1083 1.057,1085 1.064,1086 0.381,1087 0.234,1088 0.62,1089 0.859,1091 0.808,1094 0.333,1095 0.415,1097 0.409,1098 3.219,1099 4.394,1101 5.687,1103 7.029,1105 8.4,1106 1.637,1107 20.067,1114 14.225,1115 37.467,1116 69.342,1117 75.342,1118 77.342,1119 79.342,1120 83.342,1121 20.771,1122 4.522,1123 153.52,1124 153.52,1126 10.392,1127 2.322,1128 2.322,1129 42.856,1130 35,1131 27,1132 0.606,1133 101.377,1134 172.5,1135 239.12,1136 314,1137 10.268,1138 0.79,1139 0.552,1140 10.268,1141 7.176,1142 6.02,1143 0.502,1144 0.273,1145 3.176,1146 5.575,1147 3.066,1148 2.672,1149 6.02,1150 3.272,1151 5.401,1152 0.386,1153 0.145,1154 5.401,1155 2.036,1156 2.715,1157 0.247,1158 0.067,1159 2.715,1160 0.741,1161 1.637,1162 0.164,1163 0.034,1164 1.637,1165 0.342,1166 1.191,1167 0.119,1168 0.019,1169 1.191,1170 0.191,1171 0.965,1172 39.136,1173 0.385,1174 13.925,1175 1.586,1176 52,1177 213.829,1178 62.99,1179 214.927,1180 277.51,1181 194,1182 51,1183 204.952,1184 60.131,1185 206.727,1186 276.07,1187 189,1188 6}
{0 CHEMBL342495,1 1.729,2 8,3 -0.372,4 0.139,5 57.929,6 8.195,7 0.375,8 3.425,9 3.589,10 3.01,11 2.76,12 4.859,13 2.811,14 3.733,15 3.908,16 3.25,17 3.026,18 5.162,19 3.05,20 3.947,21 4.175,22 3.26,23 3.079,24 5.448,25 3.078,26 3.918,27 4.172,28 3.03,29 2.976,30 5.201,31 2.943,32 3.747,33 3.995,34 2.895,35 2.836,36 4.999,37 2.803,38 3.68,39 3.943,40 2.785,41 2.688,42 5.01,43 2.645,44 3.546,45 3.821,46 2.682,47 2.515,48 4.876,49 2.499,50 3.364,51 3.603,52 2.492,53 2.347,54 4.723,55 2.356,56 0.198,57 0.412,58 5.272,59 1.258,60 22.96,61 2.119,62 0.22,63 0.527,64 7.22,65 2.212,66 26.197,67 3.45,68 0.392,69 0.535,70 10.396,71 2.28,72 49.739,73 3.974,74 0.364,75 0.462,76 11.254,77 2.181,78 45.013,79 4.164,80 0.225,81 0.398,82 8.934,83 1.807,84 26.687,85 3.648,86 0.275,87 0.329,88 8.873,89 1.941,90 37.248,91 3.446,92 0.268,93 0.273,94 8.127,95 1.41,96 28.239,97 2.805,98 0.198,99 0.224,100 6.256,101 0.937,102 26.776,103 1.984,104 25,105 20,106 0.343,107 0.746,108 0.864,109 0.913,110 0.928,111 0.928,112 2.849,113 0.792,114 -1.1,115 -1.2,116 -1.28,117 29.6,126 3,129 2,134 1,137 1,138 1,141 1,142 1,143 1,147 1,148 1,150 2,152 2,155 4,158 1,159 1,164 1,165 2,166 1,167 4,168 2,169 2,172 1,175 1,177 2,179 3,182 1,186 1,190 3,193 1,196 1,197 4,199 3,207 1,208 2,209 3,210 1,218 3,228 4,229 1,231 2,235 288,236 10.491,237 10.491,238 10.491,239 10.491,240 10.491,241 9.286,242 9.491,243 6.383,244 10.779,245 7.811,246 7.811,247 7.811,248 7.811,249 7.811,250 5.919,251 7.414,252 2.947,253 8.231,254 3.026,255 0.991,256 0.398,257 0.148,258 0.074,259 0.074,260 3.474,262 1,263 1,264 248,265 3.317,267 58.128,269 1.25,270 18.6,272 0.75,273 0.83,274 0.83,275 0.5,277 0.67,278 0.5,279 0.58,280 36.5,281 128,282 4.204,283 3.659,284 5.975,285 3.775,286 2.817,287 3.812,288 1.463,289 8.464,290 2.695,291 3.725,292 2.967,293 5.243,294 3.313,295 2.375,296 3.031,297 0.6,298 6.541,299 2.239,300 3.6,301 2.577,302 4.98,303 3.189,304 2.247,305 2.806,306 0.414,307 5.867,308 2.1,309 2.96,310 2.397,311 3.795,312 2.395,313 1.427,314 2.057,316 3.128,317 1.379,318 2.584,319 1.739,320 3.439,321 2.028,322 1.07,323 1.483,324 2.329,325 1.022,326 2.528,327 1.319,328 3.338,329 1.941,330 1,331 1.469,332 2.274,333 0.939,334 1.51,335 1.103,336 2.649,337 1.295,338 0.334,339 0.377,340 0.485,341 0.32,342 1.201,343 0.19,344 2,345 0.778,346 -0.19,347 -0.237,349 -0.397,350 -0.183,351 0.793,352 -0.353,353 2,354 0.242,355 -0.714,356 -0.959,358 -1.665,359 -0.68,360 0.644,361 -0.494,362 1.598,363 0.089,364 -0.863,365 -1.23,367 -2,368 -0.82,369 0.409,370 -0.619,371 1.397,372 -0.1,373 -1,374 -1.431,376 -2.336,377 -0.9,378 -0.019,379 -0.773,380 1.217,381 -0.378,382 -1.315,383 -1.687,385 -2.86,386 -1.23,387 -0.34,388 -1.271,389 1,390 -0.568,391 -1.517,392 -1.798,394 -4.042,395 -1.439,396 -0.5,397 -1.57,398 0.522,399 -0.773,400 -1.734,401 -2.181,402 -0.59,403 -4.734,404 -1.663,405 -0.56,406 -1.769,407 0.452,408 -0.982,409 -1.938,410 -2.511,411 -0.6,412 -5.244,413 -1.827,414 7.133,415 0.446,416 0.37,417 0.023,418 20.75,419 1.297,420 10.5,421 0.656,422 10.25,423 0.641,424 8.296,425 0.518,426 18.067,427 0.669,428 14.632,429 0.915,430 4.751,431 0.297,432 2.879,433 0.18,434 0.215,435 0.28,436 1.094,437 1.233,438 0.862,439 0.812,440 1.211,441 0.77,442 0.769,443 1.354,444 0.821,445 1.273,446 0.669,447 1.092,448 0.779,449 0.824,450 1.036,451 0.938,452 0.766,453 1.025,454 1.031,455 1.041,456 1.036,457 0.945,458 0.965,459 0.985,460 0.883,461 1.475,462 0.988,463 1.312,464 0.8,465 1.174,466 0.803,467 0.944,468 0.974,469 1.131,470 0.879,471 1.108,472 0.867,473 0.815,474 0.875,475 0.823,476 0.782,477 0.834,478 1.532,479 1.297,480 1.201,481 1.167,482 1.507,483 1.1,484 3.5,486 1.556,487 0.75,488 0.502,489 0.438,490 0.183,491 0.128,492 0.152,493 0.056,494 1842,495 7718,496 1.861,497 40.7,499 3,501 1,502 7,506 1.545,507 1.714,508 3.033,509 5.423,514 46.677,515 1.729,516 3.764,517 4.357,518 4.607,519 4.681,520 4.681,521 2.483,522 3.578,523 3.97,524 3.152,525 378.186,526 6.66,527 3410,531 128.382,532 1.5,533 3.906,534 0.219,536 0.078,537 0.039,538 0.033,539 0.034,540 0.017,541 0.013,542 0.019,543 0.009,544 0.461,545 0.33,546 0.88,547 2.125,548 66.214,549 -0.182,550 0.081,551 -0.074,552 0.27,553 -0.34,554 0.147,555 0.025,556 -0.066,557 -0.025,558 -0.138,559 0.032,560 -0.112,561 0.105,562 0.275,563 -0.143,564 0.015,565 0.09,566 -0.111,567 -0.121,568 -0.093,569 -0.072,570 0.037,571 -0.118,572 0.001,573 -0.139,574 -0.47,575 -0.064,576 -0.285,577 -0.074,578 -0.161,579 0.088,580 -0.022,581 0.006,582 -0.169,583 0.004,584 -0.121,585 0.102,586 0.034,587 0.15,588 0.073,589 0.097,590 0.13,591 -0.416,592 -0.392,593 -0.219,594 -0.261,595 -0.322,596 -0.182,597 2.029,598 2.278,599 0.375,600 11,601 1.03,602 1.168,603 -0.128,604 0.016,605 0.63,606 2.833,607 3.045,608 3.135,609 3.178,610 3.296,611 3.178,612 3.135,613 2.89,614 2.833,615 2.565,616 4.93,617 0.627,618 221.26,619 2.833,620 4.29,621 5.056,622 5.861,623 6.65,624 7.46,625 8.259,626 9.071,627 9.875,628 10.69,629 25.9,630 1,631 2,636 3,637 1,639 3,640 1,641 2,643 6,647 27,648 9,650 16,651 27,652 8,653 5,656 2,657 1,658 1,659 1,660 1,664 8,666 3,667 2,669 1,670 1,671 2,673 1,674 11,675 8,676 7,677 8,680 7,681 1,682 1,683 1,686 1,689 1,694 1,695 1,698 1,700 1,703 16,704 1,705 1,707 2,711 3.7,712 1,716 9.333,717 4.267,718 3.778,719 1.135,720 1.826,721 1.338,722 0.903,723 4.383,724 7.233,725 3.135,726 3.597,727 4.012,728 4.438,729 4.904,730 4.994,731 5.231,732 5.128,733 5.253,734 5.229,735 1,736 19,737 5.731,738 0.001,739 2.24,740 8.354,741 10.149,743 7.229,745 2.854,746 45.667,748 47.084,749 47.217,750 162.051,751 42.806,753 47.217,754 89.89,755 162.051,757 32.897,758 103.595,759 39.932,760 85.52,761 1.899,762 35.313,763 47.084,764 209.267,765 42.806,767 47.084,769 42.806,770 150.779,771 32.656,772 25.833,774 47.084,775 204.856,776 47.217,777 47.084,778 9.741,779 37.476,780 32.361,781 172.495,782 47.084,783 204.856,784 47.217,785 0.559,786 0.306,787 0.132,788 0.07,789 7,790 4,791 0.185,792 5,794 1,795 2.829,796 91.678,798 6,799 64,801 12.097,802 5.798,803 3.976,805 204.856,806 4.943,807 4.003,808 0.824,810 171.408,811 299.157,812 22,813 14.138,815 1.332,816 3.617,817 -0.494,818 27.807,819 31.528,820 0.364,821 0.792,822 0.916,823 0.969,824 0.984,825 0.984,826 4.297,827 -0.19,828 5.004,829 0.485,830 3.714,831 4.277,832 1.798,833 5.673,834 3.614,835 5.473,836 -0.714,837 6.491,838 -0.397,839 3.219,840 3.951,841 0.623,842 6.368,843 3.046,844 6.739,845 -0.863,846 8.075,847 -1.665,848 5.176,849 6.319,850 2.169,851 9.313,852 4.978,853 8.037,854 -1,855 9.714,856 -2,857 5.442,858 6.748,859 1.414,860 10.788,861 5.168,862 9.36,863 -1.315,864 11.386,865 -2.336,866 6.891,867 8.628,868 2.742,869 13.242,870 6.596,871 10.702,872 -1.517,873 13.081,874 -2.86,875 7.515,876 9.428,877 2.249,878 15.057,879 7.154,880 12.058,881 -1.734,882 14.792,883 -4.042,884 8.736,885 11.079,886 3.39,887 17.321,888 8.35,889 2.817,890 -1.938,891 16.516,892 -4.734,893 9.545,894 12.09,895 3.093,896 19.3,897 9.101,898 2.375,899 8.464,900 18.248,901 -5.244,902 10.66,903 13.614,904 4.071,905 21.486,906 10.186,907 2.247,908 6.541,909 19.988,910 3.812,911 11.568,912 14.751,913 3.927,914 23.546,915 11.043,916 1.427,917 5.867,918 21.735,919 3.031,920 12.633,921 16.202,922 4.773,923 25.7,924 12.074,925 1.07,926 3.128,927 23.487,928 2.806,929 13.596,930 17.417,931 4.748,932 27.798,933 12.989,934 1,935 2.329,936 25.243,937 2.057,938 14.639,939 18.823,940 5.49,941 29.94,942 13.996,943 0.334,944 2.274,945 27.003,946 1.483,947 15.632,948 20.086,949 5.557,950 32.057,951 14.944,952 2028,953 4225,954 9.94,955 17.017,956 22.973,957 25.307,958 23.838,959 22.57,960 22.54,961 30.069,962 4.956,963 58.174,964 21.389,965 4.944,966 5.659,967 5.58,968 4.817,969 4.817,970 6.812,971 2.751,972 14.272,973 4.649,974 9.566,975 1.436,976 1.582,977 1.49,978 1.411,979 1.409,980 1.879,981 0.31,982 3.636,983 1.337,984 3.915,985 3.96,986 3.871,987 3.8,988 6.51,989 3.811,990 3.575,991 3.665,992 3.515,993 3.261,994 5.882,995 3.312,996 3.376,997 3.463,998 3.292,999 3.122,1000 5.812,1001 3.159,1002 3.145,1003 3.229,1004 3.041,1005 2.898,1006 4.904,1007 2.922,1008 2.733,1009 2.819,1010 2.579,1011 2.368,1012 4.78,1013 2.381,1014 2.605,1015 2.725,1016 2.446,1017 2.229,1018 4.516,1019 2.292,1020 2.508,1021 2.624,1022 2.369,1023 2.047,1024 3.805,1025 2.128,1026 2.397,1027 2.557,1028 2.111,1029 1.89,1030 3.562,1031 1.917,1032 0.263,1033 0.229,1034 0.373,1035 0.236,1036 0.176,1037 4.204,1038 0.238,1039 3.659,1040 0.091,1041 5.975,1042 0.529,1043 3.775,1044 0.168,1045 2.817,1046 3.812,1047 1.463,1048 8.464,1049 2.695,1050 1.86,1051 1.824,1052 1.953,1053 1.999,1054 0.977,1055 1.986,1056 1.415,1057 1.333,1058 1.547,1059 1.772,1060 0.4,1061 1.713,1062 1.272,1063 1.194,1064 1.451,1065 1.577,1066 0.209,1067 1.551,1068 1.059,1069 0.983,1070 1.271,1071 1.363,1072 0.094,1073 1.336,1074 0.587,1075 0.488,1076 0.939,1077 1.047,1079 1.002,1080 0.493,1081 0.384,1082 0.862,1083 0.92,1085 0.929,1086 0.371,1087 0.252,1088 0.794,1089 0.798,1091 0.807,1092 0.289,1093 0.113,1094 0.672,1095 0.736,1097 0.729,1098 3.497,1099 4.727,1101 6.142,1103 7.637,1105 9.175,1107 5.265,1108 8.278,1110 3.761,1114 16.918,1115 46.677,1116 101.627,1117 117.627,1118 124.382,1119 126.382,1120 126.382,1121 27.642,1122 5.407,1123 143.26,1124 143.26,1125 6,1126 11.278,1127 3.322,1128 2.807,1129 34.756,1130 46,1131 46,1132 0.374,1133 114.108,1134 193.65,1135 270.183,1136 1137,1137 11.966,1138 0.748,1139 0.514,1140 11.966,1141 8.228,1142 7.63,1143 0.477,1144 0.264,1145 4.12,1146 7.152,1147 4.068,1148 3.443,1149 7.63,1150 4.224,1151 6.481,1152 0.324,1153 0.136,1154 6.481,1155 2.718,1156 4.772,1157 0.217,1158 0.07,1159 4.772,1160 1.532,1161 3.159,1162 0.137,1163 0.037,1164 3.159,1165 0.861,1166 2.374,1167 0.091,1168 0.02,1169 2.374,1170 0.514,1171 0.587,1172 49.275,1173 0.317,1174 16.579,1175 1.008,1176 72,1177 274.084,1178 83.292,1179 272.565,1180 355.24,1181 248,1182 78,1183 257.794,1184 88.765,1185 259.931,1186 361.14,1187 241,1188 6.62}
{0 CHEMBL346440,1 1.569,2 7.267,3 -1.196,4 1.431,5 52.64,6 8.25,7 0.4,8 3.347,9 3.529,10 2.943,11 2.671,12 4.767,13 2.731,14 3.657,15 3.853,16 3.207,17 2.912,18 5.161,19 2.949,20 3.825,21 4.066,22 3.143,23 2.949,24 5.29,25 2.962,26 3.772,27 4.038,28 2.944,29 2.863,30 5.007,31 2.831,32 3.632,33 3.881,34 2.84,35 2.698,36 4.976,37 2.679,38 3.549,39 3.836,40 2.702,41 2.511,42 4.959,43 2.481,44 3.319,45 3.598,46 2.455,47 2.34,48 4.62,49 2.327,50 3.139,51 3.387,52 2.228,53 2.222,54 4.479,55 2.181,56 0.144,57 0.381,58 4.713,59 0.858,60 21.551,61 1.794,62 0.203,63 0.465,64 6.714,65 1.718,66 27.428,67 3.022,68 0.334,69 0.463,70 9.029,71 1.565,72 43.716,73 3.015,74 0.256,75 0.397,76 9.502,77 1.878,78 29.077,79 3.731,80 0.21,81 0.324,82 7.704,83 1.403,84 29.063,85 3.009,86 0.264,87 0.258,88 7.954,89 1.472,90 33.779,91 2.822,92 0.202,93 0.226,94 6.167,95 0.83,96 19.765,97 1.917,98 0.126,99 0.186,100 4.609,101 0.74,102 19.599,103 1.705,104 24,105 19,106 0.317,107 0.741,108 0.857,109 0.905,110 0.905,111 0.905,112 2.791,113 0.78,114 -0.77,115 -0.88,116 -1,117 28,126 1,128 1,129 1,132 1,134 1,137 1,138 1,141 2,142 2,143 2,147 1,151 1,152 2,155 4,158 3,164 2,166 2,167 4,169 2,172 1,177 2,186 1,187 1,188 2,196 3,197 6,199 1,208 2,210 1,218 2,222 1,228 4,231 4,234 1,235 240,236 9.621,237 9.621,238 9.621,239 9.621,240 9.621,241 8.364,242 8.316,243 5.914,244 9.941,245 7.401,246 7.401,247 7.401,248 7.401,249 7.401,250 5.512,251 7.478,252 2.815,253 7.907,254 3.075,255 0.975,256 0.4,257 0.16,258 0.16,259 0.16,260 3.41,263 1,264 210,265 3.162,267 53.256,269 1.218,270 17.118,272 0.75,273 0.83,274 0.83,275 0.5,277 0.67,278 0.5,279 0.58,280 34,281 109,282 4.204,283 2.968,284 5.975,285 3.765,286 2.817,287 3.812,288 1.072,289 8.464,290 2.669,291 3.707,292 2.754,293 5.241,294 3.266,295 2.329,296 3.026,297 0.6,298 6.534,299 2.18,300 3.531,301 2.467,302 4.649,303 3.087,304 2.172,305 2.716,307 5.152,308 1.984,309 2.952,310 1.751,311 3.789,312 2.366,313 1.414,314 2.048,316 3.112,317 1.343,318 2.572,319 1.326,320 3.437,321 1.942,322 1,323 1.476,324 2.325,325 0.939,326 2.528,327 1.103,328 3.224,329 1.912,330 1,331 1.443,332 2.139,333 0.911,334 1.21,335 0.196,336 2.385,337 0.847,338 -0.105,339 -0.127,340 -0.245,341 -0.099,342 0.795,343 -0.353,344 2,345 0.23,346 -0.708,347 -0.941,349 -1.656,350 -0.661,351 0.649,352 -0.373,353 1.721,354 0.07,355 -0.858,356 -1.116,358 -2,359 -0.796,360 0.411,361 -0.58,362 1.423,363 -0.1,364 -1,365 -1.425,367 -2,368 -0.9,369 0.391,370 -0.766,371 1.247,372 -0.1,373 -1,374 -1.442,376 -2.348,377 -0.9,378 -0.236,379 -1.257,380 1,381 -0.475,382 -1.414,383 -1.778,385 -3.75,386 -1.325,387 -0.5,388 -1.567,389 1,390 -0.759,391 -1.721,392 -2.181,393 -0.4,394 -4.674,395 -1.649,396 -0.539,397 -1.769,398 0.49,399 -0.981,400 -1.926,401 -2.511,402 -0.6,403 -5.244,404 -1.817,405 -0.675,406 -2,407 0.418,408 -1.07,409 -2,410 -3,411 -0.672,412 -5.808,413 -1.88,414 6.7,415 0.447,416 0.408,417 0.027,418 20.5,419 1.367,420 10.5,421 0.7,422 10,423 0.667,424 7.295,425 0.486,426 16.7,427 0.668,428 13.757,429 0.917,430 4.558,431 0.304,432 2.534,433 0.169,434 0.239,435 0.299,436 1.313,437 1.478,438 0.857,439 0.904,440 1.396,441 0.774,442 0.682,443 1.383,444 0.725,445 1.26,446 0.477,447 1.027,448 1.22,449 0.736,450 1.176,451 0.805,452 1.204,453 0.963,454 0.925,455 1.105,456 0.911,457 1.044,458 0.8,459 0.981,460 0.985,461 1.456,462 1.032,463 1.395,464 0.986,465 1.241,466 0.704,467 0.635,468 0.911,469 0.894,470 0.618,471 0.951,472 1.289,473 0.775,474 1.118,475 0.702,476 0.951,477 0.85,478 1.331,479 1.475,480 1.321,481 1.427,482 1.557,483 1.377,484 3.5,486 1.333,487 0.75,488 0.502,489 0.438,490 0.183,491 0.128,492 0.14,494 1501,495 6105,496 1.852,497 40,499 1,501 2,502 7,506 1.526,507 1.698,508 2.911,509 5.588,514 39.226,515 1.569,516 3.669,517 4.244,518 4.484,519 4.484,520 4.484,521 2.289,522 3.19,523 3.876,524 3.039,525 319.143,526 6.475,527 2719.41,531 116.096,532 1.53,533 3.806,534 0.233,536 0.07,537 0.044,538 0.036,539 0.036,540 0.018,541 0.016,542 0.023,544 0.478,545 0.33,546 1,547 1.938,548 60.062,549 -0.405,550 -0.169,551 -0.076,552 0.158,553 -0.499,554 0.13,555 0.198,556 -0.13,557 0.096,558 -0.168,559 0.261,560 -0.072,561 -0.186,562 0.338,563 -0.284,564 0.094,565 -0.217,566 -0.1,567 -0.042,568 -0.142,569 0.052,570 -0.008,571 -0.042,572 0.041,573 -0.075,574 -0.458,575 -0.101,576 -0.394,577 -0.102,578 -0.267,579 0.322,580 0.208,581 0.112,582 -0.009,583 0.277,584 -0.004,585 -0.252,586 0.093,587 -0.121,588 0.161,589 -0.098,590 0.064,591 -0.421,592 -0.479,593 -0.402,594 -0.443,595 -0.392,596 -0.42,597 1.95,598 2.151,599 0.4,600 9.867,601 1.028,602 1.176,603 -0.461,604 0.213,605 0.632,606 2.773,607 2.996,608 3.045,609 3.135,610 3.258,611 3.135,612 3.045,613 2.773,614 2.639,615 2.197,616 4.606,617 0.628,618 206.25,619 2.773,620 4.234,621 4.99,622 5.802,623 6.586,624 7.402,625 8.198,626 9.015,627 9.818,628 10.637,629 32,630 2,631 1,636 3,637 2,639 2,640 2,641 2,643 6,647 25,648 9,650 15,651 25,652 7,653 4,656 2,657 1,658 1,659 1,660 1,664 7,666 3,667 2,669 1,670 1,671 2,673 1,674 10,675 8,676 7,677 8,680 8,681 1,682 1,687 1,689 1,694 2,700 1,703 15,704 2,707 1,716 8.833,717 4.017,718 3.444,719 1.028,720 1.826,721 1.345,722 0.941,723 3.71,724 7.119,725 3.091,726 3.57,727 3.956,728 4.426,729 4.889,730 4.981,731 5.198,732 5.073,733 5.154,734 5.03,735 0.8,736 17,737 5.367,738 -0.001,739 2.088,740 8.311,741 9.479,743 6.676,744 -0.001,745 2.811,746 42.167,747 0.001,748 35.313,749 36.883,750 197.261,753 36.883,754 35.313,755 197.261,757 65.794,758 27.364,759 68.489,760 94.139,761 1.899,762 11.771,763 35.313,764 234.143,767 37.641,770 175.494,771 13.703,772 42.618,774 35.313,775 197.261,776 36.883,777 35.313,778 9.312,779 27.571,780 17.888,781 179.372,782 35.313,783 197.261,784 36.883,785 0.564,786 0.284,787 0.132,788 0.073,789 7,790 4,791 0.16,792 4,794 1,795 2.713,796 83.95,798 6,799 58.603,801 11.077,802 5.024,803 3.704,805 197.261,806 2.969,807 7.763,808 0.589,810 147.027,811 269.457,812 21,813 13.979,815 1.272,816 3.581,817 -0.43,818 25.698,819 29.402,820 0.338,821 0.79,822 0.914,823 0.966,824 0.966,825 0.966,826 4.256,827 -0.708,828 4.949,829 -0.245,830 3.664,831 4.248,832 1.247,833 5.617,834 3.536,835 5.443,836 -0.858,837 6.431,838 -1.656,839 3.219,840 3.951,841 0.623,842 6.304,843 3.02,844 6.711,845 -1,846 8.012,847 -2,848 5.118,849 6.294,850 1.032,851 9.254,852 4.87,853 8.008,854 -1,855 9.648,856 -2,857 5.398,858 6.724,859 0.819,860 10.729,861 5.082,862 9.33,863 -1.414,864 11.319,865 -2.348,866 6.832,867 8.607,868 0.995,869 13.196,870 6.47,871 10.67,872 -1.721,873 13.014,874 -3.75,875 7.46,876 9.406,877 0.94,878 15.018,879 7.04,880 12.024,881 -1.926,882 14.727,883 -4.674,884 8.681,885 11.062,886 1.036,887 17.29,888 8.211,889 2.817,890 -2,891 16.453,892 -5.244,893 9.492,894 12.073,895 1.043,896 19.277,897 8.971,898 2.329,899 8.464,900 18.189,901 -5.808,902 10.61,903 13.602,904 1.109,905 21.468,906 10.038,907 2.172,908 6.534,909 19.934,910 3.812,911 11.522,912 14.74,913 1.141,914 23.533,915 10.901,916 1.414,917 5.152,918 21.685,919 3.026,920 12.59,921 16.194,922 1.197,923 25.69,924 11.917,925 1,926 3.112,927 23.441,928 2.716,929 13.557,930 17.409,931 1.24,932 27.791,933 12.835,934 1,935 2.325,936 25.202,937 2.048,938 14.604,939 18.818,940 1.293,941 29.935,942 13.83,943 -0.105,944 2.139,945 26.967,946 1.476,947 15.601,948 20.081,949 1.342,950 32.053,951 14.777,952 1668,953 3436,954 9.246,955 15.807,956 22.189,957 21.618,958 22.232,959 21.476,960 21.465,961 29.042,962 3.344,963 55.451,964 20.054,965 4.879,966 4.968,967 5.557,968 4.835,969 4.817,970 6.812,971 1.744,972 14.272,973 4.55,974 9.088,975 1.479,976 1.441,977 1.482,978 1.432,979 1.431,980 1.936,981 0.223,982 3.697,983 1.337,984 3.887,985 3.943,986 3.854,987 3.72,988 5.891,989 3.746,990 3.563,991 3.663,992 3.495,993 3.256,994 5.879,995 3.305,996 3.348,997 3.445,998 3.266,999 3.066,1000 4.999,1001 3.107,1002 3.123,1003 3.217,1004 3.012,1005 2.886,1006 4.8,1007 2.906,1008 2.59,1009 2.729,1010 2.457,1011 2.217,1012 4.784,1013 2.267,1014 2.53,1015 2.683,1016 2.362,1017 2.162,1018 4.525,1019 2.198,1020 2.415,1021 2.578,1022 2.131,1023 1.918,1024 3.881,1025 1.943,1026 2.357,1027 2.494,1028 2.104,1029 1.88,1030 3.619,1031 1.908,1032 0.28,1033 0.198,1034 0.398,1035 0.251,1036 0.188,1037 4.204,1038 0.254,1039 2.968,1040 0.071,1041 5.975,1042 0.564,1043 3.765,1044 0.178,1045 2.817,1046 3.812,1047 1.072,1048 8.464,1049 2.669,1050 1.795,1051 1.748,1052 1.873,1053 1.985,1054 0.831,1055 1.955,1056 1.419,1057 1.329,1058 1.571,1059 1.767,1060 0.363,1061 1.72,1062 1.229,1063 1.141,1064 1.419,1065 1.56,1066 0.083,1067 1.529,1068 1.055,1069 0.972,1070 1.288,1071 1.342,1072 0.033,1073 1.332,1074 0.473,1075 0.338,1076 0.888,1077 0.931,1079 0.934,1080 0.436,1081 0.294,1082 0.859,1083 0.898,1085 0.9,1086 0.303,1087 0.134,1088 0.684,1089 0.764,1091 0.752,1092 0.256,1093 0.093,1094 0.638,1095 0.651,1097 0.649,1098 3.434,1099 4.673,1101 6.084,1103 7.578,1105 9.118,1107 10.237,1110 2.208,1114 15.698,1115 39.226,1116 91.732,1117 106.096,1118 112.096,1119 112.096,1120 112.096,1121 21.516,1122 5.293,1123 149.91,1124 149.91,1125 6,1126 11.223,1127 3.322,1128 2.807,1129 31.317,1130 40,1131 37,1132 0.391,1133 107.313,1134 178.56,1135 253.605,1136 959,1137 11.259,1138 0.751,1139 0.515,1140 11.259,1141 7.728,1142 7.092,1143 0.473,1144 0.26,1145 3.8,1146 6.661,1147 3.746,1148 3.172,1149 7.092,1150 3.899,1151 6.361,1152 0.335,1153 0.131,1154 6.361,1155 2.497,1156 4.16,1157 0.208,1158 0.066,1159 4.16,1160 1.315,1161 3.015,1162 0.137,1163 0.034,1164 3.015,1165 0.746,1166 2.265,1167 0.091,1168 0.017,1169 2.265,1170 0.423,1171 0.607,1172 45.525,1173 0.329,1174 15.529,1175 1.071,1176 68,1177 252.558,1178 79.268,1179 254.293,1180 334.96,1181 232,1182 73,1183 245.325,1184 83.075,1185 248.977,1186 347.97,1187 231,1188 4.959}
{0 CHEMBL357298,1 1.693,2 7.267,3 0.029,4 0.001,5 57.009,6 7.894,7 0.4,8 3.358,9 3.518,10 2.92,11 2.791,12 4.727,13 2.809,14 3.704,15 3.873,16 3.182,17 3.086,18 5.166,19 3.068,20 3.917,21 4.121,22 3.125,23 3.138,24 5.281,25 3.098,26 3.913,27 4.167,28 2.953,29 2.988,30 5.123,31 2.93,32 3.696,33 3.932,34 2.823,35 2.793,36 4.98,37 2.755,38 3.616,39 3.873,40 2.675,41 2.644,42 4.947,43 2.587,44 3.437,45 3.7,46 2.49,47 2.484,48 4.757,49 2.422,50 3.319,51 3.599,52 2.241,53 2.264,54 4.575,55 2.2,56 0.114,57 0.407,58 5.036,59 1.613,60 17.321,61 2.331,62 0.179,63 0.538,64 7.413,65 2.919,66 29.991,67 4.039,68 0.249,69 0.572,70 10.19,71 3.063,72 36.476,73 4.477,74 0.243,75 0.492,76 11.509,77 2.915,78 37.954,79 4.756,80 0.177,81 0.411,82 8.757,83 2.164,84 25.961,85 3.595,86 0.234,87 0.355,88 8.615,89 2.011,90 34.647,91 3.402,92 0.193,93 0.304,94 6.99,95 1.515,96 24.692,97 2.71,98 0.149,99 0.237,100 6.625,101 1.325,102 27.356,103 2.425,104 24,105 19,106 0.339,107 0.669,108 0.802,109 0.894,110 0.909,111 0.909,112 2.791,113 0.825,114 -2.1,115 -2.15,116 -2.13,117 34.6,126 4,127 2,134 1,137 1,138 1,141 2,142 2,143 2,147 1,150 6,152 2,153 1,154 1,155 3,156 1,158 2,159 6,161 1,165 4,166 1,167 2,169 3,171 3,172 2,175 4,179 4,182 2,186 2,190 5,193 2,194 1,196 1,197 1,199 5,202 2,207 1,208 1,209 4,210 1,212 2,218 2,222 1,226 1,227 2,228 2,231 3,234 1,235 240,236 9.621,237 9.621,238 9.621,239 9.621,240 9.621,241 8.364,242 7.628,243 5.914,244 9.745,245 7.401,246 7.401,247 7.401,248 7.401,249 7.401,250 5.512,251 5.851,252 2.815,253 7.579,254 3.007,255 1.355,256 0.692,257 0.231,258 0.154,259 0.154,260 3.41,262 1,263 1,264 210,265 3.162,267 53.256,269 1.218,270 16.966,272 0.75,273 0.83,274 0.83,275 0.5,277 0.83,278 1,279 0.68,280 33.5,281 109,282 4.204,283 3.502,284 5.975,285 3.824,286 2.817,287 3.812,288 1.072,289 8.464,290 2.832,291 3.707,292 2.768,293 5.241,294 3.316,295 2.329,296 3.026,297 0.98,298 6.534,299 2.304,300 3.531,301 2.576,302 4.649,303 3.102,304 2.172,305 2.716,307 5.152,308 2.006,309 2.952,310 1.934,311 3.789,312 2.414,313 1.414,314 2.048,316 3.112,317 1.407,318 2.572,319 1.435,320 3.437,321 2.016,322 1,323 1.476,324 2.325,325 1.01,326 2.528,327 1.14,328 3.224,329 1.958,330 1,331 1.443,332 2.139,333 0.955,334 1.21,335 0.197,336 2.385,337 0.866,338 -0.105,339 -0.127,340 -0.245,341 -0.101,342 0.795,343 0.133,344 2,345 0.291,346 -0.708,347 -0.941,349 -1.656,350 -0.695,351 0.649,352 -0.372,353 1.721,354 0.121,355 -0.858,356 -1.116,358 -2,359 -0.839,360 0.411,361 -0.58,362 1.423,363 0.037,364 -1,365 -1.425,367 -2,368 -0.9,369 0.391,370 -0.765,371 1.247,372 -0.1,373 -1,374 -1.442,376 -2.348,377 -1.038,378 -0.236,379 -1.256,380 1,381 -0.451,382 -1.414,383 -1.778,385 -3.75,386 -1.363,387 -0.5,388 -1.554,389 1,390 -0.731,391 -1.721,392 -2.181,393 -0.4,394 -4.674,395 -1.707,396 -0.539,397 -1.758,398 0.49,399 -0.963,400 -1.926,401 -2.511,402 -0.672,403 -5.244,404 -1.872,405 -0.675,406 -2,407 0.418,408 -1,409 -2,410 -3,411 -0.98,412 -5.808,413 -2,414 6.833,415 0.456,416 0.408,417 0.027,418 19.5,419 1.3,420 10.5,421 0.7,422 9,423 0.6,424 7.713,425 0.514,426 16.567,427 0.637,428 13.339,429 0.889,430 4.411,431 0.294,432 2.682,433 0.179,434 0.224,435 0.293,436 0.982,437 1.019,438 0.859,439 0.812,440 0.987,441 0.782,442 0.479,443 1.01,444 0.777,445 1.146,446 0.443,447 1.051,448 1.137,449 1.017,450 1.171,451 1.146,452 1.104,453 1.167,454 1.085,455 1.08,456 0.953,457 1.009,458 0.953,459 0.963,460 1.121,461 1.316,462 1.021,463 1.198,464 1.01,465 1.099,466 0.958,467 1.062,468 0.958,469 0.983,470 0.967,471 0.983,472 0.809,473 0.986,474 1.066,475 0.991,476 0.949,477 1.052,478 1.179,479 1.13,480 1.013,481 0.988,482 1.256,483 0.962,484 3.5,486 1.333,487 0.75,488 0.502,489 0.438,490 0.183,491 0.128,492 0.14,494 1501,495 5915,496 1.852,497 42.3,499 4,501 1,502 6,506 1.526,507 1.698,508 2.911,509 4.368,514 44.019,515 1.693,516 3.346,517 4.008,518 4.47,519 4.547,520 4.547,521 2.289,522 3.19,523 3.876,524 3.039,525 319.143,526 6.475,527 2719.41,529 1,531 122.211,532 1.53,533 3.806,534 0.233,536 0.07,537 0.044,538 0.036,539 0.036,540 0.018,541 0.016,542 0.023,544 0.478,545 0.33,546 1,547 1.938,548 60.062,549 -0.206,550 0.274,551 -0.067,552 0.241,553 -0.284,554 0.148,555 0.266,556 0.196,557 0.038,558 -0.031,559 0.242,560 -0.053,561 -0.191,562 0.062,563 -0.283,564 -0.133,565 -0.167,566 -0.217,567 -0.143,568 -0.187,569 0.032,570 -0.027,571 -0.08,572 0.035,573 -0.173,574 -0.364,575 -0.067,576 -0.232,577 -0.11,578 -0.135,579 0.058,580 -0.183,581 0.048,582 -0.053,583 0.021,584 -0.021,585 0.069,586 -0.046,587 -0.088,588 -0.106,589 -0.081,590 -0.123,591 -0.173,592 -0.321,593 0.028,594 -0.1,595 -0.158,596 -0.001,597 2.162,598 3.843,599 0.4,600 9.867,601 1.019,602 1.152,603 0.871,604 0.759,605 0.645,606 2.773,607 2.996,608 3.045,609 3.135,610 3.258,611 3.135,612 3.045,613 2.773,614 2.639,615 2.197,616 4.606,617 0.631,618 205.25,619 2.773,620 4.234,621 4.99,622 5.802,623 6.586,624 7.402,625 8.198,626 9.015,627 9.818,628 10.637,629 19.2,630 1,631 1,634 1,636 2,639 4,641 2,643 6,645 1,647 26,648 9,649 1,650 15,651 26,652 9,653 6,654 2,655 4,656 2,657 1,658 1,659 1,660 1,664 9,666 3,667 1,668 1,669 1,670 1,671 2,673 1,674 11,675 6,676 6,677 6,680 5,682 1,683 1,689 1,694 1,700 1,703 15,704 2,707 1,711 3.8,714 1,716 8.833,717 4.2,718 3.444,719 1.151,720 1.826,721 1.345,722 0.944,723 3.826,724 7.119,725 3.091,726 3.57,727 3.956,728 4.426,729 4.889,730 4.981,731 5.198,732 5.073,733 5.154,734 5.03,735 0.8,736 17,737 5.408,738 -0.001,739 2.131,740 8.311,741 9.669,743 7.016,744 -0.001,745 2.811,746 42.167,747 0.001,748 58.856,749 59.927,750 132.018,751 25.145,753 59.927,754 84,755 132.018,757 65.794,758 55.793,759 50.668,760 54.706,761 1.899,762 47.084,763 58.856,764 191.945,765 25.145,767 58.856,768 25.145,770 132.018,771 50.88,772 9.047,774 58.856,775 157.163,776 59.927,777 58.856,778 12.975,779 46.952,780 17.888,781 139.274,782 58.856,783 157.163,784 59.927,785 0.564,786 0.284,787 0.132,788 0.073,789 7,790 4,791 0.154,792 4,794 1,795 2.713,796 83.95,798 6,799 58.603,801 11.206,802 5.121,803 3.787,805 157.163,806 6.638,808 1.099,810 115.355,811 275.945,812 21,813 6.849,814 10.843,815 1.438,816 3.665,817 -0.748,818 26.487,819 29.947,820 0.36,821 0.712,822 0.853,823 0.951,824 0.967,825 0.967,826 4.256,827 -0.708,828 4.949,829 -0.245,830 3.664,831 4.248,832 1.543,833 5.617,834 3.628,835 5.443,836 -0.858,837 6.431,838 -1.656,839 3.219,840 3.951,841 0.623,842 6.304,843 3.172,844 6.711,845 -1,846 8.012,847 -2,848 5.118,849 6.294,850 1.48,851 9.254,852 5.064,853 8.008,854 -1,855 9.648,856 -2,857 5.398,858 6.724,859 0.819,860 10.729,861 5.353,862 9.33,863 -1.414,864 11.319,865 -2.348,866 6.832,867 8.607,868 1.477,869 13.196,870 6.781,871 10.67,872 -1.721,873 13.014,874 -3.75,875 7.46,876 9.406,877 0.94,878 15.018,879 7.431,880 12.024,881 -1.926,882 14.727,883 -4.674,884 8.681,885 11.062,886 1.5,887 17.29,888 8.648,889 2.817,890 -2,891 16.453,892 -5.244,893 9.492,894 12.073,895 1.043,896 19.277,897 9.484,898 2.329,899 8.464,900 18.189,901 -5.808,902 10.61,903 13.602,904 1.537,905 21.468,906 10.602,907 2.172,908 6.534,909 19.934,910 3.812,911 11.522,912 14.74,913 1.141,914 23.533,915 11.535,916 1.414,917 5.152,918 21.685,919 3.026,920 12.59,921 16.194,922 1.583,923 25.69,924 12.608,925 1,926 3.112,927 23.441,928 2.716,929 13.557,930 17.409,931 1.24,932 27.791,933 13.592,934 1,935 2.325,936 25.202,937 2.048,938 14.604,939 18.818,940 1.638,941 29.935,942 14.644,943 -0.105,944 2.139,945 26.967,946 1.476,947 15.601,948 20.081,949 1.342,950 32.053,951 15.655,952 1668,953 3366,954 9.246,955 16.767,956 22.189,957 22.389,958 22.232,959 21.499,960 21.465,961 29.042,962 4.103,963 55.451,964 21.027,965 4.879,966 5.502,967 5.557,968 4.824,969 4.817,970 6.812,971 2.052,972 14.272,973 4.832,974 9.088,975 1.479,976 1.493,977 1.482,978 1.433,979 1.431,980 1.936,981 0.274,982 3.697,983 1.402,984 3.946,985 3.974,986 3.895,987 3.879,988 7.437,989 3.878,990 3.564,991 3.661,992 3.497,993 3.256,994 5.889,995 3.305,996 3.361,997 3.417,998 3.288,999 3.098,1000 4.912,1001 3.139,1002 3.128,1003 3.214,1004 3.017,1005 2.914,1006 4.82,1007 2.927,1008 2.723,1009 2.821,1010 2.555,1011 2.481,1012 4.757,1013 2.494,1014 2.618,1015 2.739,1016 2.44,1017 2.344,1018 4.468,1019 2.357,1020 2.439,1021 2.606,1022 2.136,1023 1.938,1024 3.616,1025 1.958,1026 2.217,1027 2.293,1028 1.991,1029 1.689,1030 3.522,1031 1.74,1032 0.28,1033 0.233,1034 0.398,1035 0.255,1036 0.188,1037 4.204,1038 0.254,1039 3.502,1040 0.071,1041 5.975,1042 0.564,1043 3.824,1044 0.189,1045 2.817,1046 3.812,1047 1.072,1048 8.464,1049 2.832,1050 1.922,1051 1.899,1052 2.019,1053 2.013,1054 1.105,1055 2.015,1056 1.416,1057 1.331,1058 1.568,1059 1.766,1060 0.391,1061 1.719,1062 1.236,1063 1.182,1064 1.413,1065 1.55,1066 0.247,1067 1.513,1068 1.067,1069 0.997,1070 1.301,1071 1.343,1072 0.124,1073 1.334,1074 0.696,1075 0.6,1076 1.038,1077 0.981,1079 1.008,1080 0.57,1081 0.462,1082 0.934,1083 0.927,1085 0.944,1086 0.353,1087 0.168,1088 0.817,1089 0.811,1091 0.823,1092 0.077,1094 0.615,1095 0.542,1097 0.581,1098 3.434,1099 4.673,1101 6.084,1103 7.578,1105 9.118,1107 10.125,1110 2.257,1114 16.402,1115 44.019,1116 86.992,1117 104.211,1118 116.211,1119 118.211,1120 118.211,1121 25.482,1122 5.293,1123 117.35,1124 117.35,1125 6,1126 11.223,1127 3.322,1128 2.807,1129 31.317,1130 40,1131 37,1132 0.391,1133 110.111,1134 188.95,1135 260.432,1136 959,1137 11.259,1138 0.751,1139 0.526,1140 11.259,1141 7.897,1142 7.092,1143 0.473,1144 0.275,1145 4.05,1146 6.759,1147 3.97,1148 3.359,1149 7.092,1150 4.123,1151 6.361,1152 0.335,1153 0.146,1154 6.361,1155 2.773,1156 4.16,1157 0.208,1158 0.078,1159 4.16,1160 1.57,1161 3.015,1162 0.137,1163 0.043,1164 3.015,1165 0.949,1166 2.265,1167 0.091,1168 0.023,1169 2.265,1170 0.577,1171 0.607,1172 44.951,1173 0.329,1174 15.529,1175 1.071,1176 68,1177 242.671,1178 76.57,1179 242.01,1180 313.04,1181 220,1182 73,1183 220.552,1184 79.962,1185 225.608,1186 313.37,1187 209,1188 4.699}
{0 CHEMBL357754,1 1.557,2 7.813,3 -0.959,4 0.92,5 60.893,6 7.867,7 0.375,8 3.449,9 3.636,10 3.004,11 2.785,12 4.858,13 2.825,14 3.762,15 3.966,16 3.24,17 3.047,18 5.119,19 3.053,20 3.921,21 4.155,22 3.238,23 3.087,24 5.297,25 3.083,26 3.917,27 4.176,28 3.079,29 3.016,30 5.164,31 2.988,32 3.835,33 4.093,34 2.959,35 2.924,36 5.024,37 2.881,38 3.766,39 4.046,40 2.85,41 2.787,42 5.022,43 2.727,44 3.624,45 3.91,46 2.612,47 2.609,48 4.868,49 2.545,50 3.448,51 3.745,52 2.376,53 2.412,54 4.588,55 2.327,56 0.159,57 0.427,58 5.773,59 1.213,60 22.154,61 2.313,62 0.188,63 0.535,64 8.265,65 2.282,66 22.573,67 3.925,68 0.321,69 0.543,70 10.368,71 2.118,72 35.784,73 3.929,74 0.279,75 0.485,76 10.974,77 1.949,78 31.335,79 4.118,80 0.204,81 0.428,82 10.08,83 1.869,84 23.839,85 4.076,86 0.25,87 0.358,88 9.881,89 2.03,90 28.548,91 3.933,92 0.244,93 0.292,94 8.669,95 1.481,96 27.71,97 3.091,98 0.167,99 0.227,100 7.453,101 1.323,102 21.084,103 2.86,104 27,105 20,106 0.306,107 0.625,108 0.761,109 0.833,110 0.847,111 0.847,112 2.85,113 0.799,114 -1.1,115 -1.2,116 -1.28,117 28.6,126 3,129 2,134 1,137 1,138 1,141 4,142 4,143 4,144 1,146 1,147 1,150 2,152 2,153 3,154 3,155 1,158 2,159 1,163 1,164 2,165 3,166 3,167 3,168 1,169 1,170 2,172 1,173 1,174 1,175 3,176 1,177 1,179 2,182 2,186 3,190 2,193 2,194 1,195 1,196 3,197 3,199 3,202 3,203 1,206 2,207 2,209 2,212 2,215 1,216 1,218 2,222 2,226 2,227 2,228 2,231 4,234 2,235 286,236 10.491,237 10.491,238 10.491,239 10.491,240 10.491,241 8.811,242 9.238,243 6.416,244 10.788,245 7.821,246 7.821,247 7.821,248 7.821,249 7.821,250 5.688,251 9.208,252 2.969,253 8.246,254 3.251,255 1.625,256 0.938,257 0.571,258 0.5,259 0.5,260 3.474,263 1,264 240,265 3.317,267 57.684,269 1.336,270 14.352,272 0.75,273 0.83,274 0.83,275 0.5,277 0.67,278 0.5,279 0.58,280 36,281 125,282 4.235,283 3.036,284 6.057,285 3.801,286 2.845,287 3.841,288 1.072,289 8.727,290 2.719,291 3.785,292 2.809,293 5.275,294 3.314,295 2.358,296 3.14,297 0.6,298 6.674,299 2.256,300 3.62,301 2.497,302 4.65,303 3.101,304 2.182,305 2.898,307 5.155,308 2.002,309 3.02,310 1.806,311 4.084,312 2.462,313 1.499,314 2.147,316 3.514,317 1.442,318 2.63,319 1.373,320 3.481,321 2.078,322 1.116,323 1.632,324 2.507,325 1.07,326 2.52,327 1.128,328 3.234,329 1.946,330 1,331 1.389,332 2.143,333 0.943,334 1.275,335 0.34,336 2.487,337 1.158,338 0.188,339 0.197,340 0.249,341 0.182,342 1.172,343 0.22,344 2.38,345 0.856,346 -0.105,347 -0.128,349 -0.245,350 -0.1,351 0.743,352 -0.545,353 1.736,354 0.229,355 -0.723,356 -0.958,358 -1.67,359 -0.686,360 0.597,361 -0.6,362 1.668,363 0.094,364 -0.86,365 -1,367 -2,368 -0.819,370 -0.747,371 1.347,372 -0.1,373 -1,374 -1.28,376 -2.331,377 -0.9,379 -0.936,380 1.236,381 -0.411,382 -1.352,383 -1.77,385 -2.954,386 -1.265,387 -0.031,388 -1.147,389 1,390 -0.499,391 -1.44,392 -2.021,394 -3.754,395 -1.36,396 -0.458,397 -1.559,398 0.491,399 -0.813,400 -1.775,401 -2.421,402 -0.4,403 -4.694,404 -1.706,405 -0.5,406 -1.775,407 0.457,408 -0.974,409 -1.933,410 -2.665,411 -0.6,412 -5.333,413 -1.823,414 7.2,415 0.45,416 0.37,417 0.023,418 20.5,419 1.281,420 10.5,421 0.656,422 10,423 0.625,424 9.075,425 0.567,426 18,427 0.643,428 13.933,429 0.871,430 4.716,431 0.295,432 2.914,433 0.182,434 0.222,435 0.278,436 1.238,437 1.195,438 0.898,439 0.821,440 1.515,441 0.782,442 0.64,443 1.32,444 0.713,445 1.205,446 0.472,447 0.998,448 1.078,449 0.868,450 1.088,451 0.94,452 0.914,453 1.01,454 1.181,455 1.115,456 1.07,457 1.008,458 1.041,459 1.012,460 1.063,461 1.485,462 0.999,463 1.289,464 1,465 1.144,466 0.749,467 1.008,468 0.912,469 1.117,470 0.752,471 1.06,472 1.085,473 0.848,474 1.139,475 0.979,476 1.113,477 1.063,478 0.906,479 1.156,480 0.954,481 1.137,482 0.936,483 1.065,484 3.5,486 1.556,487 0.75,488 0.502,489 0.465,490 0.223,491 0.128,492 0.14,493 0.04,494 1794,495 6826,496 1.861,497 42.9,499 3,501 1,502 8,506 1.547,507 1.714,508 3.001,509 6.534,514 43.586,515 1.557,516 3.182,517 3.869,518 4.236,519 4.307,520 4.307,521 2.514,522 3.5,523 3.967,524 3.13,525 375.565,526 6.666,527 3353.19,531 134.606,532 1.5,533 3.906,534 0.219,536 0.078,537 0.039,538 0.031,539 0.033,540 0.019,541 0.014,542 0.02,543 0.008,544 0.461,545 0.5,546 1,547 2,548 65.9,549 -0.271,550 0.142,551 -0.068,552 0.251,553 -0.475,554 0.15,555 0.193,556 -0.062,557 0.14,558 -0.048,559 0.247,560 0.026,561 -0.056,562 0.273,563 -0.187,564 0.028,565 -0.038,566 -0.098,567 -0.222,568 -0.095,569 -0.131,570 -0.03,571 -0.164,572 -0.056,573 -0.19,574 -0.479,575 -0.063,576 -0.252,577 -0.157,578 -0.139,579 0.18,580 -0.085,581 0.066,582 -0.138,583 0.162,584 -0.07,585 -0.073,586 0.041,587 -0.15,588 -0.079,589 -0.122,590 -0.127,591 0.003,592 -0.328,593 0.054,594 -0.173,595 0.024,596 -0.059,597 1.796,598 1.49,599 0.375,600 11.609,601 1.021,602 1.172,603 -0.128,604 0.016,605 0.627,606 2.833,607 3.045,608 3.135,609 3.219,610 3.332,611 3.258,612 3.178,613 2.996,614 2.773,615 2.485,616 4.83,617 0.615,618 220.28,619 2.833,620 4.29,621 5.056,622 5.866,623 6.658,624 7.476,625 8.278,626 9.1,627 9.908,628 10.732,629 28.6,630 3,633 1,636 3,637 1,639 3,640 1,641 2,643 6,644 1,647 28,648 9,650 16,651 28,652 8,653 5,656 3,657 1,658 1,660 1,664 8,666 3,669 1,670 3,671 2,673 1,674 12,675 8,676 8,677 8,680 8,681 1,682 1,686 1,689 1,694 3,700 1,703 16,704 4,716 9.333,717 4.467,718 3.778,719 1.158,720 2.106,721 1.389,722 0.947,723 4.383,724 7.526,725 3.135,726 3.651,727 4.082,728 4.539,729 5.009,730 5.185,731 5.469,732 5.564,733 5.655,734 5.635,735 1,736 19,737 5.718,738 0.001,739 2.193,740 8.167,741 10.236,743 7.224,745 2.667,746 42.667,747 0.001,748 47.084,749 47.217,750 198.241,753 47.217,754 47.084,755 198.241,757 98.692,758 61.203,759 39.932,760 55.503,761 1.899,762 35.313,763 47.084,764 245.457,767 47.084,770 154.194,771 65.43,772 25.833,774 47.084,775 198.241,776 47.217,777 47.084,778 9.741,779 37.476,781 198.241,782 47.084,783 198.241,784 47.217,785 0.556,786 0.296,787 0.138,788 0.073,789 7,790 4,791 0.107,792 3,794 1,795 2.815,796 92.326,798 6,799 62,801 12.097,802 5.798,803 3.976,805 198.241,806 5.111,807 4.104,808 0.991,810 131.466,811 292.542,812 22,815 1.382,816 10.364,817 0.007,818 28.582,819 32.817,820 0.324,821 0.662,822 0.805,823 0.881,824 0.896,825 0.896,826 4.297,827 -0.105,828 5.004,829 0.249,830 3.714,831 4.331,832 1.247,833 5.68,834 3.614,835 5.498,836 -0.723,837 6.491,838 -0.245,839 3.219,840 3.951,841 0.623,842 6.389,843 3.046,844 6.776,845 -0.86,846 8.076,847 -1.67,848 5.176,849 6.422,850 1.032,851 9.36,852 4.98,853 8.086,854 -1,855 9.718,856 -2,857 5.442,858 6.794,859 0.819,860 10.874,861 5.173,862 9.419,863 -1.352,864 11.397,865 -2.331,866 6.897,867 8.745,868 0.995,869 13.361,870 6.608,871 10.769,872 -1.44,873 13.102,874 -2.954,875 7.53,876 9.51,877 0.94,878 15.223,879 7.176,880 12.134,881 -1.775,882 14.825,883 -3.754,884 8.759,885 11.198,886 1.036,887 17.522,888 8.381,889 2.845,890 -1.933,891 16.562,892 -4.694,893 9.583,894 12.192,895 1.043,896 19.545,897 9.147,898 2.358,899 8.727,900 18.311,901 -5.333,902 10.707,903 13.734,904 1.109,905 21.765,906 10.241,907 2.182,908 6.674,909 20.068,910 3.841,911 11.632,912 14.866,913 1.141,914 23.864,915 11.114,916 1.499,917 5.155,918 21.832,919 3.14,920 12.708,921 16.326,922 1.197,923 26.052,924 12.154,925 1.116,926 3.514,927 23.602,928 2.898,929 13.687,930 17.542,931 1.24,932 28.185,933 13.085,934 1,935 2.507,936 25.377,937 2.147,938 14.741,939 18.953,940 1.293,941 30.36,942 14.1,943 0.188,944 2.143,945 27.156,946 1.632,947 15.75,948 20.22,949 1.342,950 32.51,951 15.062,952 1986,953 3951,954 9.94,955 17.568,956 23.121,957 22.565,958 23.561,959 22.422,960 22.375,961 30.486,962 3.344,963 57.938,964 21.227,965 4.844,966 5.036,967 5.64,968 4.844,969 4.845,970 6.841,971 1.744,972 14.716,973 4.674,974 9.581,975 1.445,976 1.41,977 1.473,978 1.401,979 1.398,980 1.905,981 0.209,982 3.621,983 1.327,984 3.918,985 3.964,986 3.877,987 3.801,988 5.364,989 3.813,990 3.571,991 3.668,992 3.515,993 3.274,994 5.332,995 3.323,996 3.416,997 3.514,998 3.334,999 3.136,1000 4.928,1001 3.177,1002 3.116,1003 3.206,1004 2.997,1005 2.887,1006 4.829,1007 2.905,1008 2.822,1009 2.99,1010 2.605,1011 2.426,1012 4.659,1013 2.451,1014 2.608,1015 2.803,1016 2.413,1017 2.247,1018 4.53,1019 2.274,1020 2.608,1021 2.714,1022 2.394,1023 2.17,1024 3.819,1025 2.215,1026 2.515,1027 2.622,1028 2.27,1029 2.061,1030 3.647,1031 2.083,1032 0.265,1033 0.19,1034 0.379,1035 0.238,1036 0.178,1037 4.235,1038 0.24,1039 3.036,1040 0.067,1041 6.057,1042 0.545,1043 3.801,1044 0.17,1045 2.845,1046 3.841,1047 1.072,1048 8.727,1049 2.719,1050 1.86,1051 1.824,1052 1.952,1053 2.001,1054 0.982,1055 1.987,1056 1.426,1057 1.341,1058 1.572,1059 1.77,1060 0.398,1061 1.722,1062 1.295,1063 1.208,1064 1.479,1065 1.629,1066 0.19,1067 1.596,1068 1.055,1069 0.973,1070 1.288,1071 1.329,1072 0.075,1073 1.323,1074 0.705,1075 0.558,1076 1.128,1077 1.208,1079 1.201,1080 0.567,1081 0.43,1082 1.021,1083 1.057,1085 1.064,1086 0.508,1087 0.307,1088 0.919,1089 0.862,1091 0.886,1092 0.4,1093 0.289,1094 0.664,1095 0.752,1097 0.732,1098 3.497,1099 4.727,1101 6.142,1103 7.641,1105 9.186,1107 20.707,1114 17.225,1115 43.586,1116 89.096,1117 108.341,1118 118.606,1119 120.606,1120 120.606,1121 22.904,1122 5.421,1123 154.05,1124 154.05,1125 6,1126 11.314,1127 3.322,1128 2.807,1129 34.665,1130 45,1131 42,1132 0.386,1133 116.906,1134 195.86,1135 277.01,1136 1140,1137 11.966,1138 0.748,1139 0.525,1140 11.966,1141 8.408,1142 7.63,1143 0.477,1144 0.266,1145 4.162,1146 7.183,1147 4.09,1148 3.478,1149 7.63,1150 4.26,1151 6.503,1152 0.325,1153 0.137,1154 6.503,1155 2.731,1156 4.666,1157 0.212,1158 0.07,1159 4.666,1160 1.535,1161 3.26,1162 0.136,1163 0.037,1164 3.26,1165 0.887,1166 2.388,1167 0.088,1168 0.019,1169 2.388,1170 0.523,1171 0.601,1172 48.921,1173 0.317,1174 16.509,1175 1.057,1176 72,1177 255.829,1178 82.546,1179 258.281,1180 343.16,1181 236,1182 78,1183 256.058,1184 87.797,1185 260.13,1186 360.3,1187 241,1188 7.076}
{0 CHEMBL358674,1 1.438,2 9.842,3 1.361,4 1.852,5 78.08,6 6.677,7 0.316,8 3.719,9 3.891,10 3.148,11 3.158,12 4.901,13 3.125,14 4.158,15 4.382,16 3.373,17 3.465,18 5.267,19 3.383,20 4.369,21 4.636,22 3.363,23 3.529,24 5.406,25 3.427,26 4.352,27 4.635,28 3.278,29 3.457,30 5.345,31 3.351,32 4.272,33 4.546,34 3.224,35 3.407,36 5.271,37 3.302,38 4.237,39 4.506,40 3.184,41 3.398,42 5.258,43 3.276,44 4.249,45 4.524,46 3.056,47 3.371,48 5.247,49 3.222,50 4.227,51 4.538,52 2.859,53 3.241,54 5.078,55 3.059,56 0.09,57 0.585,58 9.102,59 2.832,60 14.616,61 4.629,62 0.174,63 0.793,64 14.416,65 4.932,66 25.592,67 7.624,68 0.229,69 0.864,70 18.319,71 4.976,72 35.01,73 8.582,74 0.193,75 0.811,76 18.123,77 4.458,78 31.223,79 8.186,80 0.166,81 0.765,82 16.608,83 4.279,84 27.889,85 7.693,86 0.181,87 0.742,88 15.929,89 4.726,90 28.745,91 7.846,92 0.195,93 0.715,94 16.172,95 4.8,96 31.629,97 7.938,98 0.135,99 0.623,100 15.896,101 4.558,102 23.508,103 7.817,104 34,105 23,106 0.262,107 0.615,108 0.765,109 0.847,110 0.856,111 0.856,112 3.007,113 0.972,114 -3.65,115 -3.62,116 -3.45,117 33.3,118 1,119 2,121 1,126 4,127 2,134 1,137 1,138 1,141 3,142 3,143 3,144 1,150 8,152 3,153 3,154 3,155 1,156 1,158 2,159 7,161 1,163 1,165 6,166 2,167 2,169 2,171 3,172 2,175 7,179 3,181 1,182 3,186 4,190 4,192 3,193 4,194 1,195 1,196 1,197 1,199 5,201 5,202 5,203 1,206 1,207 1,209 4,211 5,212 4,214 1,218 2,221 3,222 2,224 2,226 2,227 2,228 2,231 4,232 1,234 2,235 488,236 12.613,237 12.613,238 12.613,239 12.613,240 12.613,241 11.096,242 10.356,243 8.046,244 12.846,245 9.359,246 9.359,247 9.359,248 9.359,249 9.359,250 7.228,251 9.492,252 3.813,253 9.713,254 3.848,255 1.908,256 1.084,257 0.635,258 0.583,259 0.583,260 3.644,261 1,262 1,263 1,264 361,265 3.742,267 71.924,269 1.729,270 13.986,272 0.75,273 0.83,274 0.83,275 0.9,276 1,277 0.83,278 1,279 0.88,280 41,281 187,282 4.24,283 3.063,284 6.064,285 3.832,286 2.85,287 3.844,288 1.072,289 8.764,290 2.799,291 3.792,292 2.811,293 5.279,294 3.335,295 2.367,296 3.149,297 0.849,298 6.704,299 2.292,300 3.626,301 2.515,302 4.65,303 3.107,304 2.186,305 2.903,307 5.156,308 2.007,309 3.065,310 1.919,311 4.188,312 2.694,313 1.719,314 2.197,316 3.933,317 1.674,318 2.708,319 1.607,320 3.55,321 2.392,322 1.414,323 1.741,324 2.88,325 1.38,326 2.52,327 1.337,328 3.429,329 2.078,330 1.1,331 1.441,332 2.432,333 1.074,334 2.471,335 1.129,336 3.231,337 1.959,338 1,339 1.386,340 2.143,341 0.956,342 1.611,343 0.74,344 2.666,345 1.531,346 0.569,347 0.589,349 0.95,350 0.545,351 1.175,352 0.22,353 2.384,354 0.866,355 -0.105,356 -0.128,358 -0.244,359 -0.101,360 0.84,361 -0.172,362 2,363 0.576,364 -0.388,365 -0.412,367 -0.629,368 -0.373,369 0.697,370 -0.545,371 1.724,372 0.245,373 -0.726,374 -0.958,376 -1.671,377 -0.703,378 0.557,379 -0.6,380 1.554,381 0.115,382 -0.861,383 -1,385 -2,386 -0.839,388 -0.747,389 1.324,390 -0.1,391 -1,392 -1.279,394 -2.325,395 -0.9,397 -0.872,398 1.233,399 -0.288,400 -1.239,401 -1.418,403 -2.465,404 -1.168,405 -0.031,406 -1.147,407 1,408 -0.451,409 -1.414,410 -1.842,412 -3.694,413 -1.36,414 8.9,415 0.468,416 0.37,417 0.019,418 21.75,419 1.145,420 10.5,421 0.553,422 11.25,423 0.592,424 13.79,425 0.726,426 21.7,427 0.556,428 14.97,429 0.788,430 4.596,431 0.242,432 4.535,433 0.239,434 0.191,435 0.225,436 1.133,437 1.261,438 0.999,439 1.082,440 1.362,441 1.029,442 0.536,443 1.095,444 0.886,445 1.174,446 0.418,447 1.094,448 1.04,449 1.027,450 1.004,451 0.999,452 0.891,453 0.997,454 1.182,455 1.108,456 0.983,457 0.958,458 0.98,459 0.943,460 1.135,461 1.147,462 0.998,463 1.016,464 1.055,465 0.99,466 0.819,467 1.069,468 0.984,469 1.112,470 0.83,471 1.078,472 0.874,473 1.039,474 1.111,475 1.185,476 1.058,477 1.183,478 0.721,479 1.094,480 0.902,481 1.098,482 0.755,483 1.036,484 3.5,485 0.033,486 1.556,487 0.875,488 0.582,489 0.521,490 0.243,491 0.172,492 0.172,493 0.056,494 3073,495 8209,496 1.882,497 51.3,498 5,499 6,501 1,502 6,504 2,506 1.6,507 1.754,508 3.297,509 3.904,511 1,513 1,514 56.077,515 1.438,516 3.378,517 4.202,518 4.651,519 4.702,520 4.702,521 2.735,522 4.037,523 4.209,524 3.432,525 586.868,526 7.16,527 6100.49,528 1,529 1,531 206.131,532 1.403,533 4.168,534 0.184,535 0.007,536 0.068,537 0.04,538 0.029,539 0.027,540 0.014,541 0.011,542 0.014,543 0.006,544 0.4,545 0.33,546 1,547 2.288,548 84.929,549 -0.103,550 0.107,551 -0.024,552 0.089,553 -0.249,554 0.05,555 0.298,556 0.08,557 0.064,558 -0.04,559 0.332,560 -0.025,561 -0.031,562 0.025,563 -0.026,564 0.005,565 0.003,566 -0.008,567 -0.15,568 -0.111,570 0.01,571 -0.067,572 0.025,573 -0.142,574 -0.125,575 -0.022,576 -0.021,577 -0.11,578 -0.006,579 0.065,580 -0.037,581 -0.025,582 -0.075,583 0.075,584 -0.065,585 0.006,586 -0.029,587 -0.155,588 -0.162,589 -0.088,590 -0.18,591 0.036,592 -0.225,593 0.042,594 -0.105,595 0.018,596 -0.04,597 1.743,598 1.919,599 0.316,600 17.917,601 0.995,602 1.151,603 2.425,604 5.88,605 0.625,606 2.996,607 3.178,608 3.258,609 3.367,610 3.497,611 3.466,612 3.434,613 3.332,614 3.258,615 3.045,616 5.793,617 0.585,618 260.39,619 2.996,620 4.443,621 5.198,622 5.999,623 6.783,624 7.595,625 8.394,626 9.213,627 10.02,628 10.843,629 15.4,630 3,636 3,639 4,641 2,643 6,644 1,647 39,648 9,649 1,650 19,651 39,652 13,653 6,654 2,655 4,656 3,657 1,658 1,660 1,661 1,663 2,664 9,665 4,666 3,669 1,670 3,671 2,672 1,673 1,674 20,675 6,676 6,677 6,680 6,681 1,682 1,689 1,694 3,700 1,702 1,703 19,704 3,706 3,716 10.833,717 6.767,718 4.528,719 2.258,720 2.216,721 1.386,722 0.932,723 6.611,724 7.962,725 3.258,726 3.726,727 4.147,728 4.611,729 5.086,730 5.286,731 5.599,732 5.759,733 5.946,734 5.984,735 0.857,736 22,737 6.909,739 2.632,740 7.825,741 13.023,743 9.519,745 2.325,746 44.167,747 0.001,748 164.795,749 73.551,750 148.803,753 73.551,754 164.795,755 148.803,756 8.825,757 105.866,758 37.905,759 23.146,760 56.483,761 1.899,762 153.024,763 164.795,764 222.354,767 141.253,768 23.542,770 164.803,771 48.503,772 9.047,774 164.795,775 148.803,776 73.551,777 164.795,778 17.773,779 55.778,781 148.803,782 164.795,783 148.803,784 73.551,785 0.543,786 0.28,787 0.137,788 0.075,789 7,790 4,791 0.154,792 6,794 1,795 3.179,796 115.904,798 6,799 76.711,801 15.188,802 8.27,803 6.02,805 148.803,806 7.558,808 1.723,810 98.692,811 387.149,812 25,815 1.558,816 11.601,817 0.457,818 38.796,819 44.896,820 0.272,821 0.639,822 0.795,823 0.88,824 0.89,825 0.89,826 4.413,827 0.569,828 5.118,829 2.143,830 3.85,831 4.407,832 1.435,833 5.765,834 3.782,835 5.581,836 -0.105,837 6.578,838 0.95,839 3.219,840 3.951,841 0.623,842 6.389,843 3.102,844 6.839,845 -0.388,846 8.141,847 -0.244,848 5.273,849 6.457,850 1.277,851 9.405,852 5.149,853 8.133,854 -0.726,855 9.766,856 -0.629,857 5.442,858 6.794,859 0.819,860 10.888,861 5.279,862 9.456,863 -0.861,864 11.433,865 -1.671,866 6.961,867 8.766,868 1.211,869 13.396,870 6.794,871 10.799,872 -1,873 13.129,874 -2,875 7.537,876 9.514,877 0.94,878 15.248,879 7.345,880 12.159,881 -1.239,882 14.847,883 -2.325,884 8.804,885 11.213,886 1.2,887 17.56,888 8.604,889 2.85,890 -1.414,891 16.581,892 -2.465,893 9.598,894 12.199,895 1.043,896 19.581,897 9.38,898 2.367,899 8.764,900 18.327,901 -3.694,902 10.742,903 13.747,904 1.226,905 21.81,906 10.515,907 2.186,908 6.704,909 20.084,910 3.844,911 11.653,912 14.876,913 1.141,914 23.909,915 11.411,916 1.719,917 5.156,918 21.848,919 3.149,920 12.739,921 16.338,922 1.277,923 26.104,924 12.486,925 1.414,926 3.933,927 23.618,928 2.903,929 13.713,930 17.553,931 1.24,932 28.24,933 13.445,934 1.1,935 2.88,936 25.394,937 2.197,938 14.774,939 18.965,940 1.346,941 30.42,942 14.493,943 1,944 2.432,945 27.173,946 1.741,947 15.78,948 20.232,949 1.342,950 32.573,951 15.485,952 3337,953 5577,954 12.019,955 24.364,956 27.013,957 26.618,958 27.377,959 26.441,960 26.412,961 34.499,962 3.841,963 65.922,964 25.454,965 4.975,966 5.063,967 5.974,968 4.832,969 4.85,970 6.844,971 1.92,972 14.829,973 4.799,974 11.015,975 1.422,976 1.401,977 1.441,978 1.392,979 1.39,980 1.816,981 0.202,982 3.47,983 1.34,984 3.955,985 3.99,986 3.902,987 3.886,988 5.356,989 3.885,990 3.687,991 3.759,992 3.555,993 3.539,994 5.139,995 3.525,996 3.563,997 3.659,998 3.48,999 3.271,1000 4.781,1001 3.315,1002 3.375,1003 3.463,1004 3.245,1005 3.145,1006 4.659,1007 3.167,1008 3.129,1009 3.217,1010 2.999,1011 2.931,1012 4.498,1013 2.935,1014 3.014,1015 3.125,1016 2.774,1017 2.814,1018 4.274,1019 2.792,1020 2.71,1021 2.807,1022 2.525,1023 2.465,1024 3.993,1025 2.469,1026 2.608,1027 2.803,1028 2.404,1029 2.318,1030 3.657,1031 2.326,1032 0.223,1033 0.161,1034 0.319,1035 0.202,1036 0.15,1037 4.24,1038 0.202,1039 3.063,1040 0.056,1041 6.064,1042 0.461,1043 3.832,1044 0.147,1045 2.85,1046 3.844,1047 1.072,1048 8.764,1049 2.799,1050 1.929,1051 1.902,1052 2.031,1053 2.022,1054 1.249,1055 2.026,1056 1.692,1057 1.623,1058 1.957,1059 1.874,1060 1.11,1061 1.904,1062 1.423,1063 1.339,1064 1.606,1065 1.76,1066 0.731,1067 1.718,1068 1.318,1069 1.232,1070 1.558,1071 1.59,1072 0.392,1073 1.593,1074 1.099,1075 1.019,1076 1.371,1077 1.353,1078 0.287,1079 1.374,1080 1.013,1081 0.926,1082 1.293,1083 1.296,1084 0.178,1085 1.305,1086 0.691,1087 0.587,1088 1.033,1089 1.057,1090 0.1,1091 1.064,1092 0.53,1093 0.431,1094 1.027,1095 0.963,1097 0.996,1098 3.664,1099 4.875,1101 6.263,1103 7.74,1105 9.27,1106 2.118,1107 16.275,1109 2.878,1114 22.816,1115 56.077,1116 131.727,1117 163.866,1118 181.376,1119 183.376,1120 183.376,1121 33.686,1122 5.746,1123 115.14,1124 115.14,1125 6,1126 11.426,1127 3.322,1128 2.807,1129 45.752,1130 64,1131 70,1132 0.352,1133 151.279,1134 260.36,1135 360.88,1136 1849,1137 14.088,1138 0.741,1139 0.583,1140 14.088,1141 11.082,1142 9.13,1143 0.481,1144 0.324,1145 6.079,1146 8.8,1147 5.904,1148 5.046,1149 9.13,1150 6.155,1151 7.591,1152 0.33,1153 0.175,1154 7.591,1155 4.015,1156 5.285,1157 0.211,1158 0.094,1159 5.285,1160 2.356,1161 3.878,1162 0.139,1163 0.05,1164 3.878,1165 1.389,1166 2.864,1167 0.089,1168 0.027,1169 2.864,1170 0.851,1171 0.559,1172 57.056,1173 0.288,1174 19.604,1175 0.939,1176 84,1177 238.872,1178 92.132,1179 242.735,1180 326.32,1181 224,1182 90,1183 240.758,1184 97.133,1185 246.915,1186 344.29,1187 230,1188 4.301}
{0 CHEMBL433513,1 1.522,2 7.222,3 -0.045,4 0.002,5 67.656,6 8.01,7 0.632,8 3.511,9 3.662,10 3.11,11 3.031,12 4.847,13 3.037,14 3.878,15 4.036,16 3.432,17 3.363,18 5.236,19 3.349,20 4.109,21 4.305,22 3.469,23 3.484,24 5.45,25 3.442,26 4.15,27 4.372,28 3.322,29 3.454,30 5.331,31 3.378,32 4.134,33 4.377,34 3.245,35 3.37,36 5.277,37 3.28,38 4.014,39 4.272,40 3.07,41 3.156,42 5.211,43 3.075,44 3.813,45 4.082,46 2.847,47 2.854,48 5.107,49 2.793,50 3.62,51 3.933,52 2.533,53 2.511,54 4.92,55 2.409,56 0.076,57 0.504,58 5.463,59 1.948,60 17.591,61 2.62,62 0.099,63 0.714,64 8.084,65 3.371,66 23.564,67 4.564,68 0.223,69 0.831,70 11.245,71 4.024,72 37.884,73 5.539,74 0.156,75 0.801,76 12.604,77 4.398,78 27.653,79 6.326,80 0.126,81 0.749,82 13.172,83 4.642,84 27.782,85 6.885,86 0.154,87 0.644,88 12.049,89 3.537,90 28.017,91 5.454,92 0.177,93 0.515,94 10.032,95 2.386,96 33.697,97 3.846,98 0.198,99 0.379,100 9.234,101 2.345,102 35.591,103 3.817,104 21,105 26,106 0.288,107 0.629,108 0.689,109 0.714,110 0.714,111 0.714,112 2.96,113 0.819,114 -1.62,115 -1.69,116 -1.72,117 40,126 4,127 2,128 2,129 2,137 2,141 2,142 2,143 2,150 5,152 4,155 2,158 2,159 6,165 2,166 2,167 4,169 4,171 4,172 2,175 2,179 4,182 2,186 4,190 8,193 4,199 8,202 4,203 1,215 2,216 4,228 4,231 4,234 1,235 352,236 11.776,237 11.776,238 11.776,239 11.776,240 11.776,241 10.103,242 7.025,243 6.941,244 12.002,245 9.357,246 9.357,247 9.357,248 9.357,249 9.357,250 6.82,251 7.956,252 3.253,253 9.714,254 3.385,255 1.584,256 1.267,257 1.133,258 1.133,259 1.133,260 3.612,262 1,263 1,264 264,265 2.828,267 114.488,269 1.136,270 18.947,272 0.75,273 0.83,274 0.83,275 0.5,277 0.83,278 1,279 0.68,280 39,281 130,282 4.352,283 3.047,284 6.255,285 3.962,286 2.977,287 4.017,288 0.6,289 9.447,290 2.935,291 4.109,292 2.923,293 5.936,294 3.689,295 2.732,296 3.651,297 0.6,298 8.265,299 2.613,300 3.808,301 2.645,302 5.763,303 3.431,304 2.465,305 3.155,307 7.623,308 2.374,309 3.226,310 1.914,311 4.451,312 2.698,313 1.732,314 2.481,316 4.373,317 1.671,318 2.872,319 1.557,320 3.801,321 2.302,322 1.374,323 1.985,324 3.067,325 1.273,326 2.539,327 1.175,328 3.618,329 1.967,330 1,331 1.5,332 2.525,333 0.965,334 2.53,335 1.115,336 3.437,337 1.96,338 1,339 1.475,340 2.323,341 0.957,342 2.5,343 1,344 3.433,345 1.94,346 1,347 1.47,349 2.319,350 0.937,351 0.936,352 -0.352,353 2.517,354 0.486,355 -0.483,356 -0.656,358 -1.198,359 -0.468,360 0.755,361 -0.354,362 2,363 0.229,364 -0.732,365 -0.964,367 -1.802,368 -0.702,369 0.691,370 -0.481,371 2,372 0.173,373 -0.792,374 -1.038,376 -2,377 -0.762,378 0.5,379 -0.69,380 1.718,381 -0.025,382 -1,383 -1.427,385 -2,386 -0.9,387 0.41,388 -0.758,389 1.495,390 -0.1,391 -1,392 -1.431,394 -2.25,395 -0.9,396 0.406,397 -1,398 1.382,399 -0.1,400 -1,401 -1.5,403 -2.723,404 -0.973,405 -0.423,406 -1.563,407 1.284,408 -0.645,409 -1.616,410 -2.056,412 -5.232,413 -1.558,414 8.4,415 0.467,416 0.511,417 0.028,418 26.5,419 1.472,420 15,421 0.833,422 11.5,423 0.639,424 9.547,425 0.53,426 18.6,427 0.62,428 18.286,429 1.016,430 5.538,431 0.308,432 3.037,433 0.169,434 0.19,435 0.357,436 1.245,437 1.071,438 0.832,439 0.762,440 1.308,441 0.729,442 0.666,443 1.145,444 0.732,445 1.04,446 0.475,447 0.923,448 0.908,449 0.843,450 1.038,451 0.981,452 0.921,453 1.024,454 0.991,455 1.069,456 1.088,457 1.129,458 0.912,459 1.127,460 0.714,461 1.186,462 0.909,463 1.199,464 0.768,465 1.108,466 1.057,467 1.217,468 1.03,469 1.138,470 0.908,471 1.089,472 1.369,473 1.2,474 1.159,475 1.071,476 1.527,477 1.076,478 0.7,479 0.834,480 0.867,481 0.937,482 1.011,483 0.934,484 4,486 2.222,487 1,488 0.764,489 0.778,490 0.245,491 0.194,492 0.18,494 2471,495 8339,496 1.963,497 40,499 4,501 2,502 6,506 1.589,507 1.8,508 2.933,509 4.004,511 1,514 45.658,515 1.522,516 3.323,517 3.64,518 3.774,519 3.774,520 3.774,521 2.281,522 2.503,523 4.144,524 3.018,525 461.681,526 7.042,527 4345.14,529 1,531 147.207,532 1.53,533 4.076,534 0.211,536 0.085,537 0.038,538 0.035,539 0.039,540 0.015,541 0.016,542 0.023,544 0.462,545 0.5,546 1,547 1.066,548 75.768,549 -0.338,550 0.122,551 -0.051,552 0.221,553 -0.403,554 0.152,555 0.108,556 -0.013,557 0.067,558 -0.008,559 0.195,560 0.017,561 0.011,562 0.245,563 -0.176,564 -0.002,565 -0.032,566 -0.102,567 -0.183,568 -0.081,569 -0.178,570 -0.111,571 -0.15,572 -0.138,573 0.033,574 -0.278,575 0.052,576 -0.154,577 0.014,578 -0.066,579 -0.116,580 -0.31,581 -0.03,582 -0.167,583 -0.018,584 -0.097,585 -0.189,586 -0.278,587 -0.124,588 -0.19,589 -0.288,590 -0.153,591 0.462,592 -0.029,593 0.271,594 -0.031,595 0.21,596 0.065,597 1.752,598 2.354,599 0.667,600 11.062,601 1.009,602 1.141,603 0.386,604 0.149,605 0.677,606 2.996,607 3.296,608 3.497,609 3.664,610 3.892,611 3.85,612 3.912,613 3.807,614 3.761,615 3.611,616 4.58,617 0.657,618 240.3,619 2.996,620 4.511,621 5.333,622 6.188,623 7.034,624 7.892,625 8.745,626 9.603,627 10.46,628 11.319,629 20,630 2,636 2,637 2,639 6,640 2,641 4,643 12,647 30,648 14,650 19,651 31,652 12,653 10,656 2,657 2,658 2,664 12,666 2,667 2,671 2,673 1,674 12,675 6,676 6,677 6,680 6,681 2,682 1,686 2,689 2,694 2,700 2,703 18,704 2,716 10,717 5.067,718 4,719 1.435,720 2.519,721 1.414,722 0.998,723 3.24,724 8.606,725 3.332,726 3.912,727 4.46,728 4.992,729 5.564,730 5.752,731 6.167,732 6.36,733 6.668,734 6.865,735 0.8,736 26,737 6.526,739 2.696,740 8.056,741 11.939,743 9.265,745 2.556,746 46,748 70.627,749 72.54,750 162.709,753 72.54,754 70.627,755 162.709,757 65.794,758 37.905,759 61.769,760 93.323,762 47.084,763 70.627,764 235.25,767 70.627,770 152.747,771 48.932,772 33.571,774 70.627,775 162.709,776 72.54,777 70.627,778 16.54,779 56,781 162.709,782 70.627,783 162.709,784 72.54,785 0.583,786 0.331,787 0.161,788 0.092,789 12,790 6,791 0.097,792 3,794 1,795 2.956,796 123.567,798 12,799 57.059,801 12.052,802 4.839,803 2.653,805 162.709,806 10.181,807 7.98,808 2.516,810 129.138,811 305.876,812 27,813 14.708,817 -0.171,818 30.262,819 34.235,820 0.31,821 0.677,822 0.742,823 0.769,824 0.769,825 0.769,826 4.533,827 1,828 5.323,829 2.323,830 3.97,831 4.595,832 0.892,833 6.098,834 3.902,835 5.751,836 -0.483,837 6.872,838 2.319,839 3.611,840 4.369,842 6.963,843 3.512,844 7.052,845 -0.732,846 8.521,847 -1.198,848 5.533,849 6.759,850 0.418,851 9.989,852 5.415,853 8.386,854 -0.792,855 10.226,856 -1.802,857 5.943,858 7.292,860 11.626,861 5.797,862 9.748,863 -1,864 11.964,865 -2,866 7.378,867 9.188,868 0.171,869 14.156,870 7.215,871 11.129,872 -1,873 13.723,874 -2,875 8.128,876 10.086,878 16.106,879 7.943,880 12.526,881 -1,882 15.496,883 -2.25,884 9.356,885 11.746,886 0.065,887 18.447,888 9.152,889 2.977,890 -1.616,891 17.278,892 -2.723,893 10.267,894 12.843,896 20.539,897 10.046,898 2.732,899 9.447,900 19.067,901 -5.232,902 11.402,903 14.376,904 0.024,905 22.806,906 11.164,907 2.465,908 8.265,909 20.861,910 4.017,911 12.392,912 15.587,914 24.966,915 12.139,916 1.732,917 7.623,918 22.658,919 3.651,920 13.488,921 17.051,922 0.009,923 27.205,924 13.219,925 1.374,926 4.373,927 24.457,928 3.155,929 14.517,930 18.329,932 29.399,933 14.236,934 1,935 3.067,936 26.259,937 2.481,938 15.597,939 19.754,940 0.003,941 31.63,942 15.302,943 1,944 2.525,945 28.063,946 1.985,947 16.648,948 21.073,950 33.843,951 16.341,952 2581,953 4802,954 12.137,955 20.318,956 29.134,957 28.563,958 29.595,959 28.57,960 28.559,961 39.469,962 2.4,963 79.884,964 27.452,965 5.028,966 5.047,967 5.804,968 4.999,969 4.977,970 7.017,971 1.2,972 15.88,973 4.883,974 10.12,975 1.533,976 1.503,977 1.558,978 1.504,979 1.503,980 2.077,981 0.126,982 4.204,983 1.445,984 3.997,985 4.03,986 3.956,987 3.916,988 5.887,989 3.921,990 3.758,991 3.81,992 3.713,993 3.617,994 5.877,995 3.634,996 3.387,997 3.475,998 3.305,999 3.157,1000 4.911,1001 3.185,1002 3.291,1003 3.383,1004 3.186,1005 3.058,1006 4.812,1007 3.078,1008 2.838,1009 2.907,1010 2.735,1011 2.681,1012 4.773,1013 2.682,1014 2.713,1015 2.804,1016 2.538,1017 2.521,1018 4.701,1019 2.518,1020 2.625,1021 2.738,1022 2.476,1023 2.345,1024 3.907,1025 2.373,1026 2.44,1027 2.611,1028 2.199,1029 2.06,1030 3.566,1031 2.082,1032 0.229,1033 0.16,1034 0.329,1035 0.209,1036 0.157,1037 4.352,1038 0.211,1039 3.047,1040 0.032,1041 6.255,1042 0.497,1043 3.962,1044 0.154,1045 2.977,1046 4.017,1047 0.6,1048 9.447,1049 2.935,1050 1.953,1051 1.926,1052 2.03,1053 2.055,1054 1.122,1055 2.049,1056 1.702,1057 1.658,1058 1.799,1059 1.874,1060 0.789,1061 1.855,1062 1.292,1063 1.218,1064 1.468,1065 1.585,1066 0.273,1067 1.561,1068 1.213,1069 1.134,1070 1.424,1071 1.505,1072 0.264,1073 1.491,1074 0.825,1075 0.757,1076 1.097,1077 1.023,1078 0.028,1079 1.051,1080 0.713,1081 0.625,1082 1.044,1083 0.967,1085 0.999,1086 0.552,1087 0.449,1088 0.875,1089 0.919,1091 0.919,1092 0.354,1093 0.197,1094 0.817,1095 0.83,1097 0.843,1098 3.664,1099 4.963,1101 6.46,1103 8.04,1105 9.663,1107 10.786,1114 19.709,1115 45.658,1116 99.697,1117 109.207,1118 113.207,1119 113.207,1120 113.207,1121 27.198,1122 6.087,1123 125.52,1124 125.52,1125 12,1126 11.87,1127 3.907,1128 3.17,1129 30.895,1130 49,1131 40,1132 0.322,1133 128.438,1134 214.52,1135 305.15,1136 2739,1137 13.121,1138 0.729,1139 0.529,1140 13.121,1141 9.513,1142 8.575,1143 0.451,1144 0.273,1145 5.121,1146 8.284,1147 5.011,1148 4.195,1149 8.575,1150 5.19,1151 7.862,1152 0.302,1153 0.142,1154 7.862,1155 3.687,1156 6.063,1157 0.189,1158 0.075,1159 6.063,1160 2.405,1161 4.601,1162 0.121,1163 0.04,1164 4.601,1165 1.515,1166 3.818,1167 0.08,1168 0.021,1169 3.818,1170 1.007,1171 0.487,1172 53.515,1173 0.287,1174 17.855,1175 0.93,1176 90,1177 264.58,1178 97.66,1179 271.872,1180 368.06,1181 250,1182 103,1183 272.873,1184 110.105,1185 282.146,1186 402.84,1187 264,1188 6.745}
{0 CHEMBL538110,1 1.776,2 9.958,3 -1.531,4 2.345,5 92.665,6 7.564,7 0.385,8 3.974,9 4.102,10 3.617,11 3.415,12 5.08,13 3.381,14 4.533,15 4.703,16 3.945,17 3.832,18 5.558,19 3.768,20 4.803,21 5.002,22 4.065,23 3.934,24 5.973,25 3.861,26 4.904,27 5.149,28 4.025,29 3.968,30 5.9,31 3.86,32 4.854,33 5.094,34 3.896,35 3.903,36 5.854,37 3.8,38 4.811,39 5.053,40 3.788,41 3.821,42 5.901,43 3.715,44 4.764,45 5.035,46 3.698,47 3.702,48 5.812,49 3.581,50 4.537,51 4.792,52 3.454,53 3.538,54 5.665,55 3.405,56 0.151,57 0.738,58 11.961,59 4.168,60 24.096,61 5.541,62 0.452,63 1.116,64 27.21,65 7.904,66 43.761,67 9.933,68 0.867,69 1.237,70 32.871,71 9.015,72 92.329,73 12.444,74 0.836,75 1.269,76 38.472,77 9.769,78 78.642,79 13.908,80 0.708,81 1.174,82 37.249,83 9.188,84 72.214,85 13.282,86 0.759,87 1.079,88 31.722,89 8.338,90 87.108,91 12.294,92 0.826,93 0.98,94 33.096,95 7.162,96 92.724,97 11.295,98 0.603,99 0.836,100 23.946,101 6.041,102 80.525,103 9.312,104 31,105 37,106 0.309,107 0.654,108 0.856,109 0.896,110 0.903,111 0.903,112 3.229,113 1.156,114 -1.99,115 -2.04,116 -2.04,117 29.8,119 1,120 1,121 3,122 3,123 1,129 1,130 1,131 1,139 1,140 1,141 2,142 2,143 2,151 4,153 1,154 1,156 1,161 2,164 2,166 2,167 4,168 1,174 3,176 2,177 3,180 2,184 1,186 1,187 1,188 2,191 1,194 1,196 1,197 3,199 1,204 1,206 3,207 2,208 1,209 1,210 1,216 1,217 2,220 2,224 2,226 2,227 1,228 1,231 2,234 1,235 816,236 16.06,237 16.06,238 16.06,239 16.06,240 16.06,241 14.883,242 15.495,243 9.441,244 16.909,245 12.75,246 12.75,247 12.75,248 12.75,249 12.75,250 10.993,251 16.434,252 4.4,253 14.209,254 3.779,255 1.79,256 0.628,257 0.399,258 0.356,259 0.356,260 3.904,263 1,264 506,265 3.317,266 115.24,267 63.555,268 95.941,269 1.632,270 35.664,272 0.75,273 0.67,274 0.83,275 0.9,276 1,277 0.67,278 0.5,279 0.76,280 54,281 239,282 4.642,283 5.096,284 6.925,285 4.222,286 3.3,287 4.581,288 5.9,289 11.613,290 3.042,291 4.149,292 3.581,293 6.533,294 3.944,295 3.009,296 3.326,297 1.041,298 10.139,299 2.807,300 3.682,301 3.13,302 5.905,303 3.353,304 2.47,305 2.935,307 8.017,308 2.212,309 3.356,310 2.645,311 5.319,312 3.096,313 2.265,314 2.382,316 6.434,317 1.858,318 3.05,319 2.42,320 4.982,321 2.722,322 1.806,323 2.322,324 5.392,325 1.635,326 2.952,327 2.199,328 4.677,329 2.474,330 1.573,331 2.026,332 4.546,333 1.412,334 2.669,335 1.974,336 4.139,337 2.443,338 1.54,339 1.683,340 3.671,341 1.386,342 2.416,343 1.877,344 4.067,345 2.243,346 1.341,347 1.392,349 2.924,350 1.173,351 2.339,352 1.549,353 3.4,354 1.942,355 1.039,356 1.335,358 2.494,359 0.933,360 2.099,361 1.391,362 3.303,363 1.657,364 0.763,365 0.993,367 1.822,368 0.68,369 1.318,370 1.24,371 2.869,372 1.189,373 0.307,374 0.31,376 0.603,377 0.265,378 1.111,379 0.891,380 2.626,381 0.924,382 0.061,383 0.062,385 0.111,386 0.052,387 1.027,388 0.63,389 2.367,390 0.61,391 -0.29,392 -0.357,394 -0.665,395 -0.259,396 0.663,397 -0.001,398 2.245,399 0.339,400 -0.514,401 -0.563,403 -1.322,404 -0.425,405 0.406,406 -0.151,407 2,408 -0.003,409 -0.888,410 -1,412 -1.805,413 -0.765,414 11.233,415 0.468,416 0.648,417 0.027,418 25.25,419 1.052,420 8.5,421 0.354,422 16.75,423 0.698,424 24.647,425 1.027,426 28.667,427 0.61,428 17.251,429 0.719,430 4.175,431 0.174,432 7.349,433 0.306,434 0.175,435 0.421,436 1.088,437 1.542,438 0.907,439 1.129,440 1.151,441 1.02,442 1.024,443 1.208,444 1.427,445 1.452,446 0.875,447 1.086,448 0.936,449 1.196,450 1.015,451 1.195,452 0.873,453 1.101,454 0.983,455 0.91,456 0.984,457 1.02,458 0.945,459 0.945,460 1.068,461 1.07,462 1.096,463 1.187,464 0.91,465 1.031,466 1.124,467 0.978,468 0.93,469 0.966,470 1.206,471 1.057,472 1.203,473 0.826,474 0.913,475 0.796,476 1.215,477 0.85,478 1.076,479 1.034,480 0.923,481 0.899,482 1.198,483 1.075,484 4.5,485 0.069,486 3.333,487 2.424,488 1.433,489 0.883,490 0.584,491 0.407,492 0.221,493 0.109,494 5842,495 16502,496 2.015,497 48.9,499 12,500 1,501 2,502 6,505 2,506 1.671,507 1.846,508 3.272,509 3.678,514 83.456,515 1.776,516 3.765,517 4.927,518 5.156,519 5.198,520 5.198,521 2.792,522 4.418,523 4.55,524 3.416,525 942.879,526 7.866,527 10855,531 261.066,532 1.528,533 4.493,534 0.173,535 0.006,536 0.09,537 0.064,538 0.041,539 0.028,540 0.021,541 0.017,542 0.012,543 0.008,544 0.46,545 0.17,546 1,547 1.618,548 113.306,549 -0.196,550 -0.151,551 0.072,552 0.107,553 -0.213,554 0.068,555 -0.041,556 0.069,557 -0.162,558 -0.094,559 -0.05,560 -0.007,561 0.202,562 -0.133,563 0.004,564 -0.114,565 0.175,566 -0.09,567 0.042,568 0.064,569 0.065,570 0.024,571 -0.013,572 0.052,573 -0.042,574 -0.098,575 -0.037,576 -0.116,577 0.016,578 -0.02,579 -0.022,580 -0.05,581 -0.039,582 -0.056,583 -0.036,584 -0.091,585 -0.066,586 0.026,587 0.066,588 0.107,589 -0.03,590 0.091,591 -0.045,592 -0.118,593 -0.05,594 -0.021,595 0.001,596 -0.121,597 2.393,598 4.402,599 0.583,600 20.75,601 1.014,602 1.15,603 0.762,604 0.581,605 0.628,606 3.296,607 3.638,608 3.951,609 4.234,610 4.407,611 4.533,612 4.673,613 4.771,614 4.754,615 4.727,616 5.77,617 0.594,618 355.5,619 3.296,620 4.844,621 5.714,622 6.611,623 7.506,624 8.414,625 9.321,626 10.235,627 11.148,628 12.065,629 12.8,630 1,633 1,635 1,637 3,638 2,639 2,640 3,641 1,642 1,643 10,646 1,647 47,648 10,650 26,651 49,652 14,653 5,657 3,658 4,661 1,662 3,663 4,664 5,665 9,674 23,675 8,676 6,677 10,678 1,679 1,680 6,682 0.667,683 3,684 2,685 1,687 1,688 2,689 1,690 1,694 1,698 2,699 1,700 2,701 1,702 1,703 24,704 2,705 2,706 4,708 1,709 4,711 6.4,712 2,715 1,716 13,717 7.983,718 5.361,719 2.553,720 2.048,721 1.288,722 0.899,723 5.466,724 9.152,725 3.466,726 4.03,727 4.624,728 5.214,729 5.66,730 6.007,731 6.372,732 6.721,733 6.674,734 6.807,735 0.857,736 38,737 8.964,739 3.957,740 7.919,741 16.87,743 14.262,745 2.419,746 58.056,748 200.109,749 55.387,750 118.05,751 96.367,752 18.332,753 37.055,754 296.475,755 118.05,756 7.19,757 39.337,758 118.264,759 95.233,760 12.662,761 14.099,762 183.127,763 200.109,764 155.105,765 96.367,766 18.332,767 176.567,768 23.542,769 96.367,770 62.333,771 42.415,772 50.357,773 18.332,774 200.109,775 214.417,776 55.387,777 218.441,778 12.627,779 26.327,781 212.518,782 200.109,783 214.417,784 55.387,785 0.581,786 0.35,787 0.188,788 0.1,789 18,790 9,791 0.122,792 6,793 1,794 1.143,795 3.517,796 196.488,797 0.143,798 14,799 110.039,800 1,801 17.698,802 7.412,803 3.485,804 0.919,805 212.518,806 2.834,807 12.227,808 0.264,809 1.592,810 151.161,811 469.912,812 31,818 47.68,819 54.067,820 0.32,821 0.678,822 0.887,823 0.928,824 0.936,825 0.936,826 4.732,827 1.341,828 5.72,829 3.671,830 4.317,831 4.714,832 4.014,833 6.586,834 4.115,835 5.918,836 1.039,837 7.319,838 2.924,839 4.007,840 4.59,841 5.044,842 7.603,843 3.72,844 7.227,845 0.763,846 9.022,847 2.494,848 5.958,849 6.897,850 7.22,851 10.756,852 5.589,853 8.577,854 0.307,855 10.785,856 1.822,857 6.494,858 7.69,859 8.81,860 12.613,861 6.056,862 9.967,863 0.061,864 12.587,865 0.603,866 7.933,867 9.506,868 10.681,869 15.292,870 7.418,871 11.385,872 -0.29,873 14.414,874 0.111,875 8.836,876 10.712,877 12.409,878 17.481,879 8.256,880 12.825,881 -0.514,882 16.261,883 -0.665,884 10.094,885 12.346,886 14.207,887 20.001,888 9.438,889 3.3,890 -0.888,891 18.122,892 -1.322,893 11.152,894 13.734,895 15.971,896 22.328,897 10.427,898 3.009,899 11.613,900 19.994,901 -1.805,902 12.348,903 15.297,904 17.751,905 24.792,906 11.547,907 2.47,908 10.139,909 21.875,910 4.581,911 13.473,912 16.762,913 19.523,914 27.178,915 12.597,916 2.265,917 8.017,918 23.763,919 3.326,920 14.65,921 18.299,922 21.3,923 29.623,924 13.697,925 1.806,926 6.434,927 25.657,928 2.935,929 15.803,930 19.797,931 23.074,932 32.037,933 14.772,934 1.573,935 5.392,936 27.555,937 2.382,938 16.977,939 21.324,940 24.849,941 34.478,942 15.867,943 1.54,944 4.546,945 29.458,946 2.322,947 18.143,948 22.835,949 26.624,950 36.906,951 16.954,952 5852,953 9974,954 16.819,955 29.517,956 39.108,957 43.753,958 41.623,959 39.002,960 38.95,961 46.696,962 13.882,963 115.533,964 34.913,965 5.605,966 7.096,967 6.789,968 5.354,969 5.3,970 7.581,971 8.85,972 19.326,973 4.937,974 13.7,975 1.504,976 1.683,977 1.601,978 1.5,979 1.498,980 1.796,981 0.534,982 4.444,983 1.343,984 4.105,985 4.156,986 4.147,987 3.912,988 6.494,989 3.945,990 3.829,991 3.856,992 4.057,993 3.765,994 6.4,995 3.695,996 3.664,997 3.721,998 3.661,999 3.521,1000 5.271,1001 3.505,1002 3.397,1003 3.472,1004 3.32,1005 3.246,1006 5.006,1007 3.203,1008 3.293,1009 3.371,1010 3.239,1011 3.042,1012 4.855,1013 3.066,1014 3,1015 3.105,1016 2.891,1017 2.758,1018 4.548,1019 2.759,1020 2.971,1021 3.061,1022 2.786,1023 2.668,1024 4.43,1025 2.693,1026 2.896,1027 3.031,1028 2.608,1029 2.598,1030 4.033,1031 2.576,1032 0.179,1033 0.196,1034 0.266,1035 0.162,1036 0.127,1037 4.642,1038 0.176,1039 5.096,1040 0.227,1041 6.925,1042 0.447,1043 4.222,1044 0.117,1045 3.3,1046 4.581,1047 5.9,1048 11.613,1049 3.042,1050 1.797,1051 1.751,1052 1.894,1053 2.008,1054 1.342,1055 1.965,1056 1.734,1057 1.703,1058 1.848,1059 1.867,1060 1.143,1061 1.916,1062 1.577,1063 1.529,1064 1.765,1065 1.81,1066 1.017,1067 1.79,1068 1.498,1069 1.439,1070 1.654,1071 1.747,1072 0.807,1073 1.739,1074 1.277,1075 1.214,1076 1.523,1077 1.509,1078 0.689,1079 1.548,1080 1.07,1081 1.003,1082 1.336,1083 1.368,1084 0.431,1085 1.358,1086 0.899,1087 0.769,1088 1.309,1089 1.245,1090 0.398,1091 1.286,1092 0.808,1093 0.727,1094 1.145,1095 1.223,1096 0.154,1097 1.211,1098 3.97,1099 5.303,1100 3.045,1101 6.828,1102 5.476,1103 8.444,1104 7.627,1105 10.114,1106 2.117,1107 11.318,1108 20.743,1109 3.26,1111 5.926,1112 -3.21,1114 27.938,1115 83.456,1116 176.953,1117 231.556,1118 242.311,1119 244.311,1120 244.311,1121 55.619,1122 7.103,1123 145.33,1124 145.33,1125 16,1126 12.577,1127 3.459,1128 2.585,1129 39.246,1130 81,1131 104,1132 0.241,1133 176.523,1134 293.52,1135 422.475,1136 10294,1137 17.267,1138 0.719,1139 0.599,1140 17.556,1141 14.38,1142 11.524,1143 0.443,1144 0.385,1145 7.884,1146 10.252,1147 7.546,1148 6.206,1149 12.221,1150 10.017,1151 10.338,1152 0.279,1153 0.231,1154 11.153,1155 8.558,1156 8.99,1157 0.176,1158 0.123,1159 9.691,1160 6.297,1161 7.347,1162 0.108,1163 0.07,1164 8.096,1165 4.747,1166 5.647,1167 0.07,1168 0.04,1169 6.321,1170 3.2,1171 0.372,1172 80.627,1173 0.244,1174 23.237,1175 0.681,1176 126,1177 381.337,1178 169.45,1179 372.175,1180 500.73,1181 348,1182 151,1183 352.278,1184 195.895,1185 360.15,1186 537.37,1187 337,1188 4.398}
{0 CHEMBL540135,1 1.838,2 7.857,3 -0.765,4 0.585,5 79.85,6 8.011,7 0.435,8 3.807,9 3.921,10 3.515,11 3.264,12 4.941,13 3.237,14 4.361,15 4.517,16 3.83,17 3.665,18 5.43,19 3.626,20 4.596,21 4.76,22 3.938,23 3.734,24 5.872,25 3.705,26 4.739,27 4.986,28 3.878,29 3.758,30 5.788,31 3.681,32 4.604,33 4.822,34 3.742,35 3.656,36 5.707,37 3.59,38 4.522,39 4.744,40 3.584,41 3.558,42 5.705,43 3.46,44 4.43,45 4.702,46 3.414,47 3.381,48 5.52,49 3.256,50 4.074,51 4.326,52 3.07,53 3.164,54 5.207,55 3.002,56 0.154,57 0.627,58 9.291,59 3.597,60 21.444,61 4.368,62 0.45,63 0.953,64 23.855,65 6.745,66 41.928,67 7.841,68 0.806,69 1.036,70 23.241,71 6.9,72 83.008,73 9.203,74 0.835,75 1.056,76 31.191,77 8.004,78 75.007,79 11.15,80 0.693,81 0.939,82 28.111,83 6.825,84 65.72,85 9.402,86 0.658,87 0.845,88 23.424,89 6.528,90 73.1,91 8.98,92 0.679,93 0.74,94 24.906,95 5.109,96 73.862,97 7.811,98 0.354,99 0.581,100 14.719,101 4.271,102 45.794,103 6.248,104 28,105 34,106 0.333,107 0.667,108 0.816,109 0.848,110 0.857,111 0.857,112 3.105,113 1.174,114 -2.2,115 -2.24,116 -2.21,117 30.8,120 2,121 1,122 3,123 1,129 1,130 1,131 1,139 1,140 1,141 1,142 1,143 1,151 4,153 1,154 1,164 2,166 2,167 4,168 1,174 3,176 2,177 3,180 1,187 1,188 2,191 1,194 1,196 1,197 3,206 2,207 1,208 1,210 1,216 1,217 1,220 1,226 1,231 1,234 1,235 526,236 13.776,237 13.776,238 13.776,239 13.776,240 13.776,241 12.598,242 13.331,243 7.842,244 14.617,245 11.301,246 11.301,247 11.301,248 11.301,249 11.301,250 9.544,251 15.273,252 3.678,253 12.73,254 3.447,255 1.603,256 0.776,257 0.603,258 0.552,259 0.552,260 3.775,263 1,264 349,265 2.828,266 93.312,267 51.716,268 77.982,269 1.211,270 31.473,272 1,273 1,274 1,275 1,276 1,277 1,278 1,279 1,280 47.5,281 165,282 4.642,283 5.03,284 6.925,285 4.222,286 3.299,287 4.581,288 5.9,289 11.612,290 3.042,291 4.148,292 3.579,293 6.533,294 3.943,295 3.008,296 3.326,297 1.041,298 10.136,299 2.807,300 3.676,301 3.128,302 5.902,303 3.338,304 2.435,305 2.933,307 7.993,308 2.209,309 3.245,310 2.62,311 5.281,312 2.986,313 2.166,314 2.325,316 6.141,317 1.801,318 3.049,319 2.351,320 4.86,321 2.611,322 1.74,323 2.276,324 5.001,325 1.477,326 2.904,327 1.974,328 4.424,329 2.452,330 1.551,331 1.973,332 4.188,333 1.396,334 2.593,335 1.95,336 4.131,337 2.371,338 1.515,339 1.6,340 3.671,341 1.26,342 2.405,343 1.868,344 4.064,345 1.942,346 1.039,347 1.378,349 2.923,350 0.933,351 2.099,352 1.549,353 3.304,354 1.656,355 0.763,356 0.993,358 1.822,359 0.68,360 1.21,361 1.24,362 2.829,363 1.018,364 0.175,365 0.179,367 0.413,368 0.145,369 1.05,370 0.891,371 2.585,372 0.615,373 -0.281,374 -0.343,376 -0.654,377 -0.25,378 0.682,379 0.628,380 2.367,381 0.358,382 -0.489,383 -0.543,385 -1.288,386 -0.404,387 0.423,388 -0.151,389 2.15,390 -0.002,391 -0.886,392 -1,394 -2,395 -0.7,396 0.03,397 -0.443,398 2,399 -0.28,400 -1,401 -1.062,403 -2.34,404 -0.772,406 -0.796,407 1.887,408 -0.3,409 -1.143,410 -1.261,412 -2.974,413 -0.98,414 9.833,415 0.468,416 0.686,417 0.033,418 23.5,419 1.119,420 8.5,421 0.405,422 15,423 0.714,424 19.917,425 0.948,426 24.667,427 0.632,428 15.442,429 0.735,430 3.828,431 0.182,432 6.158,433 0.293,434 0.21,435 0.481,436 1.06,437 1.561,438 0.868,439 1.116,440 1.117,441 0.987,442 1.049,443 1.163,444 1.51,445 1.471,446 0.872,447 1.001,448 1,449 1.268,450 0.893,451 1.145,452 0.961,453 1.176,454 1.005,455 0.78,456 0.787,457 0.789,458 0.965,459 0.817,460 1.246,461 1.01,462 1.068,463 1.073,464 1.073,465 1.007,466 1.099,467 1.033,468 0.974,469 1.016,470 1.279,471 1.134,472 1.173,473 0.747,474 0.971,475 0.732,476 1.232,477 0.801,478 0.693,479 1.12,480 0.914,481 1.004,482 0.862,483 1.2,484 4.5,485 0.025,486 3.111,487 2.299,488 1.353,489 0.827,490 0.447,491 0.304,492 0.165,493 0.084,494 3831,495 11495,496 2.018,497 46.2,499 11,500 1,501 2,502 4,506 1.636,507 1.826,508 2.994,509 2.062,514 71.688,515 1.838,516 3.682,517 4.509,518 4.683,519 4.734,520 4.734,521 2.453,522 4.011,523 4.363,524 3.114,525 653.916,526 7.497,527 6695.18,531 206.131,532 1.545,533 4.289,534 0.196,535 0.006,536 0.092,537 0.068,538 0.044,539 0.031,540 0.02,541 0.018,542 0.014,543 0.014,544 0.501,545 0.33,546 1,547 1.12,548 92.88,549 -0.196,550 -0.227,551 0.077,552 0.081,553 -0.224,554 0.05,555 -0.06,556 0.086,557 -0.227,558 -0.124,559 -0.044,560 0.039,561 0.183,562 -0.219,563 -0.055,564 -0.209,565 0.151,566 -0.226,567 0.039,568 0.114,569 0.142,570 0.11,571 -0.003,572 0.143,573 -0.131,574 -0.053,575 -0.076,576 -0.088,577 -0.042,578 -0.04,579 -0.015,580 -0.104,581 -0.083,582 -0.104,583 -0.023,584 -0.174,585 -0.121,586 0.108,587 0.056,588 0.177,589 -0.068,590 0.14,591 0.052,592 -0.164,593 -0.039,594 -0.082,595 0.043,596 -0.206,597 2.368,598 4.246,599 0.667,600 14.435,601 1.021,602 1.147,603 0.966,604 0.933,605 0.641,606 3.178,607 3.555,608 3.871,609 4.174,610 4.344,611 4.466,612 4.585,613 4.654,614 4.605,615 4.543,616 4.838,617 0.612,618 312.42,619 3.178,620 4.745,621 5.624,622 6.535,623 7.438,624 8.355,625 9.267,626 10.187,627 11.103,628 12.025,629 12.8,633 1,635 1,637 3,638 2,639 2,640 3,641 1,642 1,643 10,646 1,647 39,648 10,650 23,651 41,652 12,653 5,657 3,658 4,662 3,663 3,664 5,665 7,673 1,674 18,675 7,676 4,677 9,678 1,679 1,680 5,682 0.667,683 3,684 2,685 1,687 1,688 2,689 1,690 1,698 2,699 1,700 2,701 1,702 2,703 21,704 1,705 2,706 1,708 1,709 4,711 7.7,712 2,715 1,716 11.5,717 7.15,718 4.528,719 1.986,720 2.068,721 1.301,722 0.89,723 3.963,724 8.936,725 3.367,726 3.975,727 4.584,728 5.192,729 5.642,730 5.992,731 6.356,732 6.704,733 6.646,734 6.764,735 1,736 34,737 7.836,739 3.505,740 7.955,741 14.628,743 12.422,745 2.455,746 51.556,748 164.795,749 57.037,750 85.153,751 96.367,752 18.332,753 38.705,754 261.162,755 85.153,756 14.381,757 0.9,758 118.264,759 95.233,760 12.662,761 14.099,762 147.814,763 164.795,764 123.858,765 96.367,766 18.332,767 164.795,769 96.367,770 23.895,771 49.606,772 50.357,773 18.332,774 164.795,775 181.519,776 57.037,777 183.127,778 7.087,779 33.517,781 179.62,782 164.795,783 181.519,784 57.037,785 0.597,786 0.354,787 0.195,788 0.104,789 18,790 9,791 0.073,792 3,793 1,794 1.143,795 3.192,796 168.345,797 0.143,798 14,799 90.239,800 1,801 14.843,802 5.608,803 2.569,804 0.934,805 179.62,806 2.83,807 12.155,808 0.27,809 1.588,810 118.264,811 403.352,812 28,818 39.811,819 44.739,820 0.348,821 0.697,822 0.853,823 0.886,824 0.896,825 0.896,826 4.649,827 1.039,828 5.652,829 3.671,830 4.234,831 4.659,832 4.014,833 6.538,834 4.026,835 5.86,836 0.763,837 7.266,838 2.923,839 4.007,840 4.59,841 5.044,842 7.585,843 3.72,844 7.182,845 0.175,846 8.98,847 1.822,848 5.9,849 6.875,850 7.22,851 10.733,852 5.536,853 8.542,854 -0.281,855 10.751,856 0.413,857 6.479,858 7.685,859 8.81,860 12.602,861 6.051,862 9.939,863 -0.489,864 12.559,865 -0.654,866 7.895,867 9.498,868 10.681,869 15.281,870 7.393,871 11.362,872 -0.886,873 14.391,874 -1.288,875 8.819,876 10.71,877 12.409,878 17.475,879 8.251,880 12.807,881 -1,882 16.242,883 -2,884 10.07,885 12.343,886 14.207,887 19.996,888 9.428,889 3.299,890 -1.143,891 18.107,892 -2.34,893 11.139,894 13.733,895 15.971,896 22.325,897 10.424,898 3.008,899 11.612,900 19.982,901 -2.974,902 12.333,903 15.297,904 17.751,905 24.789,906 11.543,907 2.435,908 10.136,909 21.865,910 4.581,911 13.462,912 16.762,913 19.523,914 27.176,915 12.595,916 2.166,917 7.993,918 23.755,919 3.326,920 14.64,921 18.299,922 21.3,923 29.622,924 13.695,925 1.74,926 6.141,927 25.65,928 2.933,929 15.795,930 19.797,931 23.074,932 32.036,933 14.771,934 1.551,935 5.001,936 27.55,937 2.325,938 16.969,939 21.324,940 24.849,941 34.476,942 15.866,943 1.515,944 4.188,945 29.453,946 2.276,947 18.137,948 22.835,949 26.624,950 36.904,951 16.953,952 3852,953 6770,954 14.74,955 24.989,956 35.608,957 39.955,958 37.63,959 35.429,960 35.38,961 43.127,962 13.882,963 107.8,964 31.498,965 5.568,966 7.03,967 6.453,968 5.339,969 5.299,970 7.581,971 8.85,972 19.325,973 4.937,974 12.34,975 1.548,976 1.737,977 1.636,978 1.54,979 1.538,980 1.875,981 0.604,982 4.687,983 1.369,984 4.104,985 4.155,986 4.13,987 3.909,988 6.494,989 3.944,990 3.816,991 3.84,992 4.051,993 3.729,994 6.4,995 3.672,996 3.529,997 3.571,998 3.653,999 3.464,1000 5.271,1001 3.389,1002 3.309,1003 3.389,1004 3.245,1005 3.05,1006 4.855,1007 3.082,1008 3.003,1009 3.105,1010 2.892,1011 2.768,1012 4.549,1013 2.768,1014 2.975,1015 3.061,1016 2.79,1017 2.669,1018 4.431,1019 2.697,1020 2.874,1021 3.009,1022 2.606,1023 2.618,1024 4.071,1025 2.57,1026 2.762,1027 2.812,1028 2.499,1029 2.368,1030 3.752,1031 2.406,1032 0.202,1033 0.219,1034 0.301,1035 0.184,1036 0.143,1037 4.642,1038 0.199,1039 5.03,1040 0.257,1041 6.925,1042 0.505,1043 4.222,1044 0.132,1045 3.299,1046 4.581,1047 5.9,1048 11.612,1049 3.042,1050 1.797,1051 1.751,1052 1.849,1053 2.008,1054 1.263,1055 1.965,1056 1.675,1057 1.651,1058 1.792,1059 1.822,1060 1.072,1061 1.853,1062 1.548,1063 1.503,1064 1.676,1065 1.785,1066 0.854,1067 1.768,1068 1.348,1069 1.299,1070 1.566,1071 1.563,1072 0.713,1073 1.601,1074 1.078,1075 1.015,1076 1.417,1077 1.376,1078 0.469,1079 1.361,1080 0.934,1081 0.804,1082 1.319,1083 1.239,1084 0.404,1085 1.308,1086 0.808,1087 0.728,1088 1.145,1089 1.223,1090 0.15,1091 1.211,1092 0.785,1093 0.66,1094 1.048,1095 1.07,1097 1.069,1098 3.85,1099 5.209,1100 3.045,1101 6.753,1102 5.476,1103 8.385,1104 7.627,1105 10.067,1106 4.132,1107 5.745,1108 20.387,1109 0.693,1111 5.818,1112 -3.096,1114 23.863,1115 71.688,1116 143.601,1117 175.866,1118 182.621,1119 184.621,1120 184.621,1121 43.308,1122 6.868,1123 119.31,1124 119.31,1125 16,1126 12.533,1127 3.459,1128 2.585,1129 32.038,1130 60,1131 59,1132 0.273,1133 150.544,1134 247.92,1135 359.086,1136 7353,1137 15.146,1138 0.721,1139 0.604,1140 15.435,1141 12.682,1142 9.986,1143 0.434,1144 0.391,1145 6.643,1146 8.775,1147 6.243,1148 5.149,1149 10.768,1150 9.002,1151 9.485,1152 0.279,1153 0.233,1154 10.299,1155 7.916,1156 8.008,1157 0.17,1158 0.099,1159 8.395,1160 4.634,1161 6.766,1162 0.106,1163 0.055,1164 7.224,1165 3.548,1166 5.155,1167 0.068,1168 0.032,1169 5.583,1170 2.402,1171 0.41,1172 71.891,1173 0.26,1174 20.293,1175 0.804,1176 114,1177 360.025,1178 153.416,1179 351.35,1180 472.35,1181 328,1182 138,1183 334.237,1184 179.055,1185 342.059,1186 509.71,1187 318,1188 4.699}
{0 CHEMBL604606,1 1.688,2 9.958,3 -2.109,4 4.446,5 87.77,6 7.18,7 0.385,8 3.978,9 4.121,10 3.488,11 3.308,12 5.104,13 3.337,14 4.541,15 4.738,16 3.867,17 3.722,18 5.587,19 3.729,20 4.808,21 5.019,22 3.968,23 3.859,24 5.992,25 3.829,26 4.908,27 5.166,28 3.888,29 3.883,30 5.933,31 3.82,32 4.859,33 5.113,34 3.803,35 3.84,36 5.883,37 3.773,38 4.813,39 5.061,40 3.715,41 3.766,42 5.91,43 3.691,44 4.767,45 5.046,46 3.561,47 3.633,48 5.832,49 3.548,50 4.539,51 4.798,52 3.355,53 3.476,54 5.675,55 3.376,56 0.165,57 0.69,58 11.113,59 3.178,60 24.596,61 5.169,62 0.51,63 1.022,64 21.219,65 5.518,66 43.615,67 8.762,68 0.929,69 1.13,70 28.929,71 7.188,72 92.377,73 11.701,74 0.916,75 1.132,76 33.064,77 7.833,78 77.881,79 13.011,80 0.8,81 1.059,82 31.313,83 7.527,84 71.669,85 12.46,86 0.789,87 0.97,88 29.908,89 7.068,90 88.569,91 11.807,92 0.879,93 0.859,94 29.7,95 6.193,96 93.735,97 10.784,98 0.621,99 0.747,100 22.832,101 5.064,102 81.674,103 8.95,104 31,105 37,106 0.293,107 0.644,108 0.836,109 0.896,110 0.903,111 0.903,112 3.229,113 0.907,114 -1.26,115 -1.35,116 -1.42,117 29.8,119 1,120 1,121 3,122 3,123 1,129 1,130 1,131 1,139 1,140 1,141 2,142 2,143 2,151 4,152 1,153 1,154 1,156 1,161 1,164 3,166 1,167 4,168 1,174 3,176 3,177 5,185 1,186 1,188 3,194 1,196 1,197 3,199 1,203 2,204 1,206 1,207 2,208 1,209 1,210 1,216 1,217 2,220 2,223 1,224 2,226 2,227 2,228 1,231 1,235 816,236 16.06,237 16.06,238 16.06,239 16.06,240 16.06,241 14.883,242 18.991,243 9.441,244 16.648,245 12.75,246 12.75,247 12.75,248 12.75,249 12.75,250 10.993,251 24.265,252 4.4,253 13.786,254 3.867,255 1.848,256 0.745,257 0.399,258 0.356,259 0.356,260 3.904,263 1,264 506,265 3.317,266 115.24,267 63.555,268 95.941,269 1.632,270 35.117,272 0.75,273 0.67,274 0.83,275 0.9,276 1,277 0.67,278 0.5,279 0.76,280 54.5,281 239,282 4.642,283 3.589,284 6.925,285 4.223,286 3.3,287 4.581,288 1.041,289 11.613,290 3.044,291 4.149,292 3.137,293 6.533,294 3.948,295 3.009,296 3.326,297 0.8,298 10.139,299 2.817,300 3.682,301 2.749,302 5.905,303 3.396,304 2.47,305 2.935,307 8.017,308 2.281,309 3.356,310 2.52,311 5.319,312 3.184,313 2.265,314 2.382,316 6.434,317 2.077,318 3.05,319 2.133,320 4.982,321 2.738,322 1.806,323 2.322,324 5.392,325 1.677,326 2.952,327 1.967,328 4.677,329 2.476,330 1.573,331 2.026,332 4.546,333 1.419,334 2.669,335 1.549,336 4.139,337 2.444,338 1.54,339 1.683,340 3.671,341 1.391,342 2.416,343 1.532,344 4.067,345 2.282,346 1.341,347 1.392,349 2.924,350 1.251,351 2.339,352 1.242,353 3.4,354 1.942,355 1.039,356 1.335,358 2.494,359 0.934,360 2.099,361 0.905,362 3.303,363 1.657,364 0.763,365 0.993,367 1.822,368 0.68,369 1.318,370 0.741,371 2.869,372 1.222,373 0.307,374 0.31,376 0.603,377 0.278,378 1.111,379 0.439,380 2.626,381 0.946,382 0.061,383 0.062,385 0.111,386 0.053,387 1.027,388 -0.057,389 2.367,390 0.615,391 -0.29,392 -0.357,394 -0.665,395 -0.261,396 0.663,397 -0.222,398 2.245,399 0.374,400 -0.514,401 -0.563,403 -1.322,404 -0.456,405 0.406,406 -0.594,407 2,408 0.016,409 -0.888,410 -1,412 -1.805,413 -0.799,414 10.8,415 0.45,416 0.648,417 0.027,418 26,419 1.083,420 8.5,421 0.354,422 17.5,423 0.729,424 21.925,425 0.914,426 28.8,427 0.613,428 19.973,429 0.832,430 5.19,431 0.216,432 6.334,433 0.264,434 0.182,435 0.398,436 1.105,437 1.851,438 0.88,439 1.366,440 1.153,441 1.093,442 1.108,443 1.105,444 0.931,445 1.022,446 0.905,447 0.936,448 0.941,449 1.221,450 0.951,451 1.181,452 0.877,453 1.093,454 0.98,455 0.877,456 0.921,457 0.942,458 0.929,459 0.93,460 1.07,461 0.938,462 0.968,463 1.003,464 0.905,465 0.971,466 1.114,467 1.073,468 1.052,469 1.147,470 1.21,471 1.104,472 1.18,473 0.778,474 0.994,475 0.81,476 1.208,477 0.867,478 1.061,479 1.179,480 1.103,481 1.136,482 1.199,483 1.147,484 4.5,485 0.069,486 3.333,487 2.424,488 1.433,489 0.883,490 0.584,491 0.407,492 0.221,493 0.109,494 5842,495 16502,496 2.015,497 48.9,499 12,500 1,501 2,502 6,505 2,506 1.671,507 1.846,508 3.272,509 3.678,514 79.314,515 1.688,516 3.706,517 4.809,518 5.156,519 5.198,520 5.198,521 2.792,522 4.418,523 4.55,524 3.416,525 942.879,526 7.866,527 10855,531 261.066,532 1.528,533 4.493,534 0.173,535 0.006,536 0.09,537 0.064,538 0.041,539 0.028,540 0.021,541 0.017,542 0.012,543 0.008,544 0.46,545 0.17,546 1,547 1.618,548 113.306,549 -0.202,550 -0.405,551 0.019,552 -0.099,553 -0.22,554 0.003,555 -0.088,556 0.131,557 0.023,558 0.075,559 -0.087,560 0.078,561 0.196,562 -0.147,563 0.029,564 -0.114,565 0.169,566 -0.086,567 0.051,568 0.082,569 0.066,570 0.042,571 0.002,572 0.051,573 -0.035,574 0.022,575 0.015,576 0.002,577 0.021,578 0.022,579 -0.028,580 -0.119,581 -0.065,582 -0.139,583 -0.04,584 -0.114,585 -0.052,586 0.061,587 0.025,588 0.095,589 -0.022,590 0.075,591 -0.046,592 -0.239,593 -0.122,594 -0.155,595 0.001,596 -0.167,597 2.425,598 4.381,599 0.583,600 20.75,601 1.016,602 1.158,603 0.031,604 0.001,605 0.606,606 3.296,607 3.638,608 3.951,609 4.234,610 4.407,611 4.533,612 4.673,613 4.771,614 4.754,615 4.727,616 5.77,617 0.585,618 337.44,619 3.296,620 4.844,621 5.714,622 6.611,623 7.506,624 8.414,625 9.321,626 10.235,627 11.148,628 12.065,629 14.9,630 1,632 1,633 1,635 1,637 3,638 2,639 2,640 3,641 1,642 1,643 10,646 1,647 47,648 10,650 26,651 49,652 14,653 5,657 3,658 4,661 1,662 3,663 4,664 5,665 9,674 23,675 9,676 6,677 10,679 1,680 7,682 0.667,683 3,684 2,685 1,687 1,688 2,689 1,690 1,694 1,697 1,698 2,699 1,700 2,702 1,703 24,704 2,705 2,706 4,708 1,709 4,710 1,711 6.4,712 2,715 1,716 13,717 7.983,718 5.361,719 2.553,720 2.048,721 1.288,722 0.891,723 5.171,724 9.152,725 3.466,726 4.03,727 4.624,728 5.214,729 5.66,730 6.007,731 6.372,732 6.721,733 6.674,734 6.807,735 0.857,736 38,737 8.94,739 3.919,740 7.951,741 16.672,743 13.8,745 2.451,746 58.833,748 200.109,749 40.673,750 121.174,751 96.367,753 40.673,754 296.475,755 121.174,756 8.396,757 41.749,758 118.264,759 95.233,760 15.786,761 14.099,762 164.795,763 200.109,764 161.847,765 96.367,767 176.567,768 23.542,769 96.367,770 67.869,771 43.621,772 50.357,774 200.109,775 217.541,776 40.673,777 200.109,778 15.039,779 30.657,781 212.518,782 200.109,783 217.541,784 40.673,785 0.581,786 0.35,787 0.188,788 0.1,789 18,790 9,791 0.122,792 6,793 1,794 1.143,795 3.517,796 196.488,797 0.143,798 14,799 110.039,801 17.321,802 7.165,803 3.342,804 0.891,805 215.642,806 2.808,807 12.195,808 0.254,809 1.571,810 151.161,811 458.322,812 31,818 47.763,819 54.438,820 0.304,821 0.667,822 0.866,823 0.928,824 0.936,825 0.936,826 4.732,827 1.341,828 5.72,829 3.671,830 4.317,831 4.714,832 1.418,833 6.586,834 4.159,835 5.918,836 1.039,837 7.319,838 2.924,839 4.007,840 4.59,841 0.325,842 7.603,843 3.775,844 7.227,845 0.763,846 9.022,847 2.494,848 5.958,849 6.897,850 1.337,851 10.756,852 5.651,853 8.577,854 0.307,855 10.785,856 1.822,857 6.494,858 7.69,859 0.268,860 12.613,861 6.108,862 9.967,863 0.061,864 12.587,865 0.603,866 7.933,867 9.506,868 1.339,869 15.292,870 7.476,871 11.385,872 -0.29,873 14.414,874 0.111,875 8.836,876 10.712,877 0.188,878 17.481,879 8.299,880 12.825,881 -0.514,882 16.261,883 -0.665,884 10.094,885 12.346,886 1.368,887 20.001,888 9.485,889 3.3,890 -0.888,891 18.122,892 -1.322,893 11.152,894 13.734,895 0.125,896 22.328,897 10.464,898 3.009,899 11.613,900 19.994,901 -1.805,902 12.348,903 15.297,904 1.41,905 24.792,906 11.585,907 2.47,908 10.139,909 21.875,910 4.581,911 13.473,912 16.762,913 0.082,914 27.178,915 12.628,916 2.265,917 8.017,918 23.763,919 3.326,920 14.65,921 18.299,922 1.46,923 29.623,924 13.729,925 1.806,926 6.434,927 25.657,928 2.935,929 15.803,930 19.797,931 0.054,932 32.037,933 14.801,934 1.573,935 5.392,936 27.555,937 2.382,938 16.977,939 21.324,940 1.516,941 34.478,942 15.896,943 1.54,944 4.546,945 29.458,946 2.322,947 18.143,948 22.835,949 0.035,950 36.906,951 16.981,952 5852,953 9974,954 16.819,955 28.495,956 39.108,957 39.614,958 41.623,959 38.945,960 38.95,961 46.696,962 3.682,963 115.533,964 35.806,965 5.605,966 5.589,967 6.789,968 5.336,969 5.3,970 7.581,971 2.082,972 19.326,973 4.956,974 13.7,975 1.504,976 1.524,977 1.601,978 1.498,979 1.498,980 1.796,981 0.142,982 4.444,983 1.377,984 4.105,985 4.157,986 4.082,987 3.904,988 6.495,989 3.944,990 3.834,991 3.884,992 3.749,993 3.643,994 6.4,995 3.662,996 3.669,997 3.732,998 3.53,999 3.476,1000 5.271,1001 3.478,1002 3.403,1003 3.5,1004 3.273,1005 3.161,1006 5.007,1007 3.172,1008 3.296,1009 3.383,1010 3.169,1011 3.019,1012 4.855,1013 3.05,1014 3,1015 3.105,1016 2.889,1017 2.752,1018 4.555,1019 2.756,1020 2.971,1021 3.062,1022 2.771,1023 2.668,1024 4.441,1025 2.692,1026 2.896,1027 3.032,1028 2.608,1029 2.597,1030 4.189,1031 2.576,1032 0.179,1033 0.138,1034 0.266,1035 0.162,1036 0.127,1037 4.642,1038 0.176,1039 3.589,1040 0.04,1041 6.925,1042 0.447,1043 4.223,1044 0.117,1045 3.3,1046 4.581,1047 1.041,1048 11.613,1049 3.044,1050 1.797,1051 1.751,1052 1.957,1053 2.008,1054 1.265,1055 1.965,1056 1.724,1057 1.658,1058 1.848,1059 1.949,1060 1.142,1061 1.956,1062 1.577,1063 1.528,1064 1.781,1065 1.81,1066 1.005,1067 1.791,1068 1.497,1069 1.437,1070 1.678,1071 1.756,1072 0.779,1073 1.746,1074 1.271,1075 1.184,1076 1.555,1077 1.575,1078 0.661,1079 1.571,1080 1.069,1081 0.999,1082 1.341,1083 1.373,1084 0.43,1085 1.359,1086 0.899,1087 0.768,1088 1.309,1089 1.245,1090 0.398,1091 1.286,1092 0.808,1093 0.727,1094 1.146,1095 1.223,1096 0.149,1097 1.211,1098 3.97,1099 5.303,1100 3.045,1101 6.828,1102 5.476,1103 8.444,1104 7.627,1105 10.114,1106 1.923,1107 11.279,1108 20.691,1109 2.736,1111 5.878,1112 -3.407,1113 2.016,1114 27.509,1115 79.314,1116 174.198,1117 226.046,1118 242.311,1119 244.311,1120 244.311,1121 51.991,1122 7.103,1123 148.57,1124 148.57,1125 16,1126 12.577,1127 3.459,1128 2.585,1129 39.246,1130 81,1131 104,1132 0.241,1133 170.722,1134 284.69,1135 408.322,1136 10294,1137 17.267,1138 0.719,1139 0.562,1140 17.267,1141 13.486,1142 11.524,1143 0.443,1144 0.302,1145 7.658,1146 10.813,1147 7.546,1148 6.206,1149 11.524,1150 7.858,1151 10.338,1152 0.279,1153 0.163,1154 10.338,1155 6.034,1156 8.99,1157 0.176,1158 0.083,1159 8.99,1160 4.234,1161 7.347,1162 0.108,1163 0.043,1164 7.347,1165 2.926,1166 5.647,1167 0.07,1168 0.023,1169 5.647,1170 1.851,1171 0.372,1172 74.355,1173 0.244,1174 23.237,1175 0.681,1176 126,1177 396.885,1178 146.126,1179 372.175,1180 500.73,1181 348,1182 151,1183 360.944,1184 174.343,1185 360.15,1186 537.37,1187 337,1188 4.222}
{0 CHEMBL610141,1 1.744,2 9.182,3 -2.707,4 7.327,5 77.61,6 7.546,7 0.417,8 3.864,9 4.004,10 3.408,11 3.18,12 5.034,13 3.229,14 4.407,15 4.587,16 3.791,17 3.592,18 5.518,19 3.618,20 4.684,21 4.896,22 3.889,23 3.689,24 5.938,25 3.687,26 4.702,27 4.938,28 3.77,29 3.679,30 5.819,31 3.652,32 4.64,33 4.885,34 3.645,35 3.616,36 5.74,37 3.572,38 4.56,39 4.798,40 3.585,41 3.517,42 5.728,43 3.477,44 4.484,45 4.734,46 3.405,47 3.381,48 5.69,49 3.326,50 4.315,51 4.59,52 3.047,53 3.178,54 5.513,55 3.071,56 0.206,57 0.609,58 9.272,59 2.553,60 27.754,61 4.139,62 0.506,63 0.891,64 17.51,65 4.639,66 47.607,67 7.19,68 0.992,69 0.941,70 25.458,71 5.811,72 98.461,73 9.557,74 0.896,75 0.916,76 26.486,77 5.807,78 77.083,79 9.714,80 0.759,81 0.833,82 24.86,83 5.629,84 74.435,85 9.449,86 0.761,87 0.746,88 23.058,89 5.175,90 78.214,91 8.711,92 0.736,93 0.663,94 21.708,95 4.33,96 85.389,97 7.672,98 0.637,99 0.532,100 18.719,101 3.596,102 82.154,103 6.67,104 21,105 34,106 0.312,107 0.675,108 0.836,109 0.907,110 0.916,111 0.916,112 3.147,113 0.873,114 -0.73,115 -0.84,116 -0.96,117 29.3,121 3,122 3,123 1,129 1,130 1,131 1,139 1,140 1,141 2,142 2,143 2,151 4,153 1,154 1,164 2,166 1,167 5,168 2,170 1,174 3,176 2,177 3,178 1,188 3,189 1,194 1,196 2,197 4,207 3,208 2,210 2,215 1,216 2,217 2,220 2,227 1,228 1,231 1,235 642,236 14.905,237 14.905,238 14.905,239 14.905,240 14.905,241 13.728,242 16.755,243 8.818,244 15.453,245 11.766,246 11.766,247 11.766,248 11.766,249 11.766,250 10.01,251 20.927,252 4.1,253 12.743,254 3.613,255 1.588,256 0.689,257 0.293,258 0.244,259 0.244,260 3.823,263 1,264 430,265 2.828,266 100.93,267 55.823,268 84.212,269 1.562,270 34.77,272 0.75,273 0.67,274 0.83,275 0.8,276 1,277 0.67,278 0.5,279 0.75,280 50.5,281 202,282 4.641,283 3.585,284 6.924,285 4.221,286 3.298,287 4.581,288 1.041,289 11.609,290 3.043,291 4.143,292 3.129,293 6.53,294 3.941,295 3.002,296 3.325,297 0.4,298 10.118,299 2.81,300 3.664,301 2.601,302 5.893,303 3.323,304 2.397,305 2.923,307 7.936,308 2.214,309 3.075,310 2.273,311 5.239,312 2.887,313 1.958,314 2.324,316 5.887,317 1.811,318 3.043,319 1.971,320 4.789,321 2.568,322 1.648,323 2.134,324 4.73,325 1.514,326 2.788,327 1.869,328 4.144,329 2.453,330 1.548,331 1.825,332 3.671,333 1.4,334 2.54,335 1.549,336 4.069,337 2.411,338 1.504,339 1.541,340 3.072,341 1.354,342 2.408,343 1.247,344 3.641,345 1.945,346 1.04,347 1.381,349 2.918,350 0.936,351 2.1,352 1.12,353 3.304,354 1.68,355 0.776,356 0.995,358 1.823,359 0.699,360 1.749,361 0.883,362 2.983,363 1.628,364 0.734,365 0.747,367 1.336,368 0.654,369 1.133,370 0.63,371 2.651,372 0.938,373 0.075,374 0.077,376 0.149,377 0.064,378 1.028,379 0.015,380 2.367,381 0.619,382 -0.284,383 -0.338,385 -0.607,386 -0.256,387 0.684,388 -0.187,389 2.27,390 0.445,391 -0.442,392 -0.49,394 -0.864,395 -0.391,396 0.479,397 -0.531,398 2,399 0.079,400 -0.828,401 -0.952,403 -2.068,404 -0.746,405 0.076,406 -0.798,407 2,408 -0.167,409 -1.075,410 -1.261,412 -2.624,413 -0.96,414 9.8,415 0.445,416 0.542,417 0.025,418 24.75,419 1.125,420 8.5,421 0.386,422 16.25,423 0.739,424 18.183,425 0.826,426 26.2,427 0.639,428 18.437,429 0.838,430 5.015,431 0.228,432 5.615,433 0.255,434 0.15,435 0.398,436 1.15,437 1.78,438 0.855,439 1.273,440 1.18,441 1.001,442 1.096,443 1.196,444 0.934,445 1.127,446 0.953,447 0.999,448 0.951,449 1.088,450 0.888,451 1.053,452 0.882,453 0.979,454 1.121,455 0.922,456 0.999,457 0.946,458 1.035,459 0.954,460 1.059,461 0.941,462 1.001,463 1.025,464 1.021,465 1.001,466 1.042,467 1.01,468 0.974,469 1.059,470 1.056,471 1.019,472 1.16,473 1.004,474 1.109,475 1.036,476 1.157,477 1.071,478 1.027,479 0.924,480 1.17,481 0.99,482 1.259,483 1.111,484 3.5,485 0.057,486 3.111,487 2.174,488 1.273,489 0.747,490 0.543,491 0.323,492 0.109,493 0.07,494 4572,495 14076,496 2.043,497 46.3,499 9,500 1,501 2,502 7,506 1.647,507 1.886,508 3.16,509 4.794,514 71.523,515 1.744,516 3.77,517 4.668,518 5.065,519 5.114,520 5.114,521 2.72,522 4.369,523 4.423,524 3.292,525 760.433,526 7.615,527 8140.12,531 219.66,532 1.495,533 4.376,534 0.146,535 0.008,536 0.092,537 0.062,538 0.041,539 0.028,540 0.022,541 0.016,542 0.008,543 0.008,544 0.43,545 0.17,546 1,547 1.461,548 100.145,549 -0.265,550 -0.352,551 -0.004,552 -0.036,553 -0.258,554 0.048,555 -0.111,556 0.058,557 -0.025,558 -0.008,559 -0.131,560 0.006,561 0.197,562 -0.074,563 0.095,564 -0.031,565 0.176,567 -0.037,568 0.049,569 -0.011,570 0.036,571 -0.054,572 0.015,573 -0.055,574 0.024,575 -0.024,576 -0.025,577 -0.035,578 -0.011,579 0.033,580 -0.067,581 0.014,582 -0.056,583 0.023,584 -0.03,585 -0.073,586 -0.095,587 -0.107,588 -0.102,589 0.006,590 -0.121,591 -0.047,592 -0.058,593 -0.169,594 -0.088,595 -0.029,596 -0.161,597 2.432,598 4.234,599 0.636,600 17.76,601 1.024,602 1.161,603 -0.504,604 0.254,605 0.609,606 3.219,607 3.555,608 3.892,609 4.174,610 4.344,611 4.477,612 4.595,613 4.691,614 4.654,615 4.575,616 5.329,617 0.596,618 309.38,619 3.219,620 4.762,621 5.638,622 6.535,623 7.437,624 8.346,625 9.258,626 10.173,627 11.089,628 12.008,629 17.1,630 1,631 1,633 1,635 1,637 3,638 2,639 2,640 3,641 1,642 1,643 10,646 1,647 41,648 10,650 24,651 43,652 12,653 5,657 3,658 4,661 1,662 3,663 3,664 5,665 7,674 19,675 9,676 7,677 10,679 1,680 7,682 0.667,683 3,684 2,685 1,687 1,688 2,689 1,690 1,694 1,696 1,698 2,699 1,700 2,703 22,704 2,705 2,706 3,707 1,708 1,709 4,711 7.3,712 2,715 1,716 11.667,717 6.533,718 4.944,719 2.153,720 2.061,721 1.297,722 0.896,723 4.418,724 9.013,725 3.401,726 3.975,727 4.594,728 5.192,729 5.642,730 5.994,731 6.356,732 6.704,733 6.642,734 6.751,735 1,736 35,737 8.181,739 3.63,740 8.038,741 15.074,743 12.512,745 2.538,746 55.833,748 141.253,749 29.742,750 136.061,751 96.367,753 29.742,754 237.62,755 136.061,757 39.214,758 136.275,759 95.233,760 12.662,761 14.099,762 105.94,763 141.253,764 165.802,765 96.367,767 141.253,769 96.367,770 80.221,771 35.225,772 50.357,774 141.253,775 232.427,776 29.742,777 141.253,778 12.504,779 19.136,780 18.011,781 212.518,782 141.253,783 232.427,784 29.742,785 0.578,786 0.354,787 0.191,788 0.1,789 17,790 8,791 0.116,792 5,793 1,794 1.143,795 3.362,796 175.281,797 0.143,798 14,799 98.107,801 15.392,802 6.314,803 2.768,804 0.872,805 230.528,806 2.778,807 12.104,808 0.248,809 1.546,810 169.172,811 403.422,812 29,818 41.996,819 47.608,820 0.326,821 0.704,822 0.871,823 0.945,824 0.954,825 0.954,826 4.659,827 1.04,828 5.638,829 3.072,830 4.234,831 4.659,832 1.249,833 6.512,834 4.073,835 5.846,836 0.776,837 7.241,838 2.918,839 3.892,840 4.527,842 7.548,843 3.669,844 7.158,845 0.734,846 8.95,847 1.823,848 5.878,849 6.866,850 1.224,851 10.71,852 5.569,853 8.514,854 0.075,855 10.722,856 1.336,857 6.415,858 7.667,860 12.588,861 6.037,862 9.912,863 -0.284,864 12.532,865 0.149,866 7.868,867 9.493,868 1.268,869 15.267,870 7.413,871 11.338,872 -0.442,873 14.368,874 -0.607,875 8.781,876 10.704,878 17.466,879 8.25,880 12.786,881 -0.828,882 16.223,883 -0.864,884 10.047,885 12.341,886 1.324,887 19.987,888 9.44,889 3.298,890 -1.075,891 18.09,892 -2.068,893 11.114,894 13.731,896 22.317,897 10.428,898 3.002,899 11.609,900 19.968,901 -2.624,902 12.314,903 15.296,904 1.383,905 24.781,906 11.552,907 2.397,908 10.118,909 21.853,910 4.581,911 13.444,912 16.761,914 27.169,915 12.601,916 1.958,917 7.936,918 23.745,919 3.325,920 14.624,921 18.299,922 1.444,923 29.614,924 13.704,925 1.648,926 5.887,927 25.641,928 2.923,929 15.779,930 19.796,932 32.029,933 14.779,934 1.548,935 4.73,936 27.542,937 2.324,938 16.955,939 21.324,940 1.506,941 34.469,942 15.875,943 1.504,944 3.671,945 29.446,946 2.134,947 18.122,948 22.835,950 36.897,951 16.962,952 4579,953 8125,954 15.72,955 24.972,956 36.135,957 36.726,958 38.365,959 35.913,960 35.957,961 43.704,962 2.882,963 106.502,964 32.998,965 5.59,966 5.585,967 6.833,968 5.333,969 5.298,970 7.581,971 2.082,972 19.318,973 4.949,974 11.535,975 1.506,976 1.53,977 1.599,978 1.496,979 1.498,980 1.821,981 0.12,982 4.438,983 1.375,984 4.104,985 4.156,986 4.081,987 3.903,988 6.494,989 3.943,990 3.817,991 3.858,992 3.735,993 3.623,994 6.4,995 3.644,996 3.593,997 3.675,998 3.441,999 3.363,1000 5.271,1001 3.369,1002 3.336,1003 3.424,1004 3.25,1005 3.083,1006 5.01,1007 3.111,1008 3.174,1009 3.268,1010 3,1011 2.902,1012 4.855,1013 2.916,1014 2.991,1015 3.103,1016 2.882,1017 2.684,1018 4.556,1019 2.721,1020 2.807,1021 2.903,1022 2.626,1023 2.438,1024 4.441,1025 2.463,1026 2.731,1027 2.799,1028 2.544,1029 2.31,1030 4.102,1031 2.345,1032 0.193,1033 0.149,1034 0.288,1035 0.176,1036 0.137,1037 4.641,1038 0.191,1039 3.585,1040 0.043,1041 6.924,1042 0.484,1043 4.221,1044 0.127,1045 3.298,1046 4.581,1047 1.041,1048 11.609,1049 3.043,1050 1.797,1051 1.751,1052 1.892,1053 2.008,1054 1.202,1055 1.965,1056 1.665,1057 1.607,1058 1.846,1059 1.906,1060 1.06,1061 1.907,1062 1.554,1063 1.498,1064 1.735,1065 1.807,1066 0.947,1067 1.778,1068 1.438,1069 1.371,1070 1.641,1071 1.707,1072 0.752,1073 1.699,1074 1.14,1075 1.07,1076 1.371,1077 1.454,1078 0.45,1079 1.434,1080 0.88,1081 0.79,1082 1.187,1083 1.257,1084 0.2,1085 1.24,1086 0.792,1087 0.663,1088 1.14,1089 1.218,1090 0.09,1091 1.203,1092 0.739,1093 0.653,1094 1.037,1095 1.039,1097 1.04,1098 3.892,1099 5.22,1100 3.045,1101 6.749,1102 5.476,1103 8.373,1104 7.627,1105 10.051,1107 11.139,1108 20.35,1109 1.47,1110 3.048,1111 5.743,1112 -3.465,1114 24.455,1115 71.523,1116 154.566,1117 191.395,1118 207.66,1119 209.66,1120 209.66,1121 44.58,1122 6.952,1123 157.36,1124 157.36,1125 16,1126 12.518,1127 3.459,1128 2.585,1129 34.428,1130 68,1131 90,1132 0.254,1133 151.538,1134 250.09,1135 361.512,1136 8409,1137 15.69,1138 0.713,1139 0.538,1140 15.69,1141 11.832,1142 10.63,1143 0.443,1144 0.291,1145 6.798,1146 9.955,1147 6.77,1148 5.526,1149 10.63,1150 6.986,1151 9.351,1152 0.275,1153 0.151,1154 9.351,1155 5.122,1156 8.413,1157 0.175,1158 0.076,1159 8.413,1160 3.665,1161 6.886,1162 0.108,1163 0.04,1164 6.886,1165 2.53,1166 5.185,1167 0.068,1168 0.021,1169 5.185,1170 1.575,1171 0.387,1172 68.795,1173 0.252,1174 21.456,1175 0.726,1176 116,1177 381.573,1178 135.766,1179 356.833,1180 480.75,1181 334,1182 140,1183 347.31,1184 162.538,1185 344.053,1186 515.8,1187 324,1188 4.155}
{0 CHEMBL610704,1 1.715,2 9.957,3 -2.644,4 6.993,5 82.475,6 7.35,7 0.4,8 3.923,9 4.065,10 3.446,11 3.251,12 5.067,13 3.287,14 4.474,15 4.659,16 3.821,17 3.663,18 5.554,19 3.673,20 4.757,21 4.979,22 3.916,23 3.76,24 5.963,25 3.742,26 4.777,27 5.024,28 3.805,29 3.745,30 5.873,31 3.704,32 4.71,33 4.964,34 3.678,35 3.683,36 5.773,37 3.627,38 4.625,39 4.868,40 3.616,41 3.598,42 5.74,43 3.546,44 4.576,45 4.83,46 3.483,47 3.495,48 5.71,49 3.43,50 4.443,51 4.706,52 3.218,53 3.332,54 5.601,55 3.235,56 0.189,57 0.651,58 10.21,59 2.897,60 26.449,61 4.667,62 0.49,63 0.955,64 19.227,65 5.212,66 46.231,67 8.111,68 0.975,69 1.017,70 27.798,71 6.379,72 98.255,73 10.675,74 0.912,75 0.988,76 28.906,77 6.425,78 79.791,79 10.765,80 0.755,81 0.901,82 26.93,83 6.165,84 73.198,85 10.393,86 0.716,87 0.818,88 24.649,89 5.752,90 75.238,91 9.593,92 0.735,93 0.745,94 23.862,95 5.155,96 80.739,97 8.829,98 0.651,99 0.631,100 21.054,101 4.278,102 84.032,103 7.745,104 22,105 35,106 0.302,107 0.662,108 0.841,109 0.906,110 0.914,111 0.914,112 3.189,113 0.898,114 -1,115 -1.1,116 -1.19,117 29.5,119 1,121 3,122 3,123 1,129 1,130 1,131 1,139 1,140 1,141 2,142 2,143 2,151 4,153 1,154 1,156 2,161 1,164 2,166 1,167 5,168 1,174 3,176 2,177 3,178 2,180 1,186 1,188 3,189 1,194 1,196 1,197 3,199 1,204 1,206 1,207 4,208 1,209 1,210 1,216 1,217 2,220 2,224 2,226 1,227 2,228 2,231 2,235 750,236 15.613,237 15.613,238 15.613,239 15.613,240 15.613,241 14.435,242 18.799,243 9.318,244 16.159,245 12.266,246 12.266,247 12.266,248 12.266,249 12.266,250 10.51,251 24.16,252 4.35,253 13.235,254 3.744,255 1.702,256 0.688,257 0.318,258 0.273,259 0.273,260 3.866,263 1,264 487,265 3,266 108.453,267 59.895,268 90.386,269 1.701,270 35.437,272 0.75,273 0.67,274 0.83,275 0.9,276 1,277 0.67,278 0.5,279 0.76,280 52.5,281 229,282 4.641,283 3.585,284 6.924,285 4.221,286 3.298,287 4.581,288 1.041,289 11.609,290 3.043,291 4.143,292 3.129,293 6.53,294 3.941,295 3.002,296 3.325,297 0.4,298 10.118,299 2.81,300 3.665,301 2.601,302 5.893,303 3.324,304 2.397,305 2.923,307 7.936,308 2.214,309 3.077,310 2.274,311 5.239,312 2.897,313 1.965,314 2.324,316 5.888,317 1.824,318 3.044,319 1.972,320 4.789,321 2.655,322 1.705,323 2.135,324 4.731,325 1.617,326 2.808,327 1.903,328 4.145,329 2.475,330 1.572,331 1.842,332 3.672,333 1.414,334 2.637,335 1.549,336 4.069,337 2.443,338 1.54,339 1.643,340 3.346,341 1.386,342 2.412,343 1.366,344 3.737,345 1.968,346 1.05,347 1.385,349 2.924,350 0.96,351 2.103,352 1.239,353 3.306,354 1.921,355 1.021,356 1.037,358 1.928,359 0.914,360 2.027,361 0.899,362 3.181,363 1.656,364 0.762,365 0.987,367 1.818,368 0.679,369 1.316,370 0.731,371 2.698,372 1.21,373 0.304,374 0.307,376 0.565,377 0.273,378 1.075,379 0.344,380 2.478,381 0.774,382 -0.097,383 -0.101,385 -0.19,386 -0.084,387 0.911,388 -0.154,389 2.367,390 0.583,391 -0.319,392 -0.402,394 -0.71,395 -0.288,396 0.589,397 -0.375,398 2.139,399 0.251,400 -0.659,401 -0.703,403 -1.36,404 -0.598,405 0.283,406 -0.631,407 2,408 0.004,409 -0.905,410 -1.048,412 -2.186,413 -0.821,414 10.3,415 0.448,416 0.542,417 0.024,418 25.25,419 1.098,420 8.5,421 0.37,422 16.75,423 0.728,424 19.868,425 0.864,426 27.5,427 0.625,428 18.786,429 0.817,430 5.02,431 0.218,432 6.11,433 0.266,434 0.142,435 0.379,436 1.134,437 1.762,438 0.873,439 1.288,440 1.165,441 1.032,442 1.071,443 1.21,444 0.949,445 1.16,446 0.933,447 1.036,448 0.938,449 1.142,450 0.879,451 1.067,452 0.869,453 0.983,454 1.093,455 0.877,456 0.987,457 0.924,458 1.018,459 0.94,460 1.047,461 0.917,462 0.983,463 0.989,464 0.98,465 0.971,466 1.069,467 1.023,468 0.984,469 1.074,470 1.077,471 1.025,472 1.137,473 0.957,474 1.061,475 1.02,476 1.134,477 1.036,478 1.137,479 1.08,480 1.152,481 1.069,482 1.265,483 1.125,484 3.5,485 0.057,486 3.111,487 2.174,488 1.273,489 0.747,490 0.543,491 0.354,492 0.165,493 0.07,494 5325,495 15575,496 2.041,497 47.7,499 9,500 1,501 2,502 7,505 2,506 1.658,507 1.89,508 3.259,509 4.702,514 75.464,515 1.715,516 3.757,517 4.772,518 5.141,519 5.187,520 5.187,521 2.794,522 4.35,523 4.485,524 3.41,525 862.799,526 7.733,527 9658.62,531 240.215,532 1.478,533 4.443,534 0.14,535 0.006,536 0.089,537 0.06,538 0.04,539 0.027,540 0.021,541 0.016,542 0.01,543 0.006,544 0.416,545 0.17,546 1,547 1.619,548 107.22,549 -0.239,550 -0.322,551 0.002,552 -0.035,553 -0.236,554 0.042,555 -0.083,556 0.046,557 -0.023,558 -0.03,559 -0.111,560 -0.014,561 0.201,562 -0.135,563 0.109,564 -0.045,565 0.178,566 0.003,567 -0.002,568 0.088,569 0.008,570 0.043,571 -0.029,572 0.023,573 -0.04,574 0.043,575 -0.002,577 -0.01,578 0.015,579 -0.002,580 -0.064,582 -0.061,583 -0.003,584 -0.032,585 -0.042,586 -0.038,587 -0.061,588 -0.064,589 -0.005,590 -0.074,591 -0.084,592 -0.187,593 -0.155,594 -0.13,595 -0.026,596 -0.166,597 2.426,598 4.285,599 0.609,600 20.219,601 1.02,602 1.16,603 -0.232,604 0.054,605 0.608,606 3.258,607 3.584,608 3.912,609 4.19,610 4.357,611 4.489,612 4.615,613 4.718,614 4.691,615 4.635,616 5.725,617 0.59,618 323.41,619 3.258,620 4.796,621 5.666,622 6.558,623 7.455,624 8.361,625 9.27,626 10.184,627 11.098,628 12.015,629 15.9,630 1,631 1,633 1,635 1,637 3,638 2,639 2,640 3,641 1,642 1,643 10,646 1,647 44,648 10,650 25,651 46,652 13,653 5,657 3,658 4,661 1,662 3,663 4,664 5,665 8,674 21,675 9,676 7,677 10,679 1,680 7,682 0.667,683 3,684 2,685 1,687 1,688 2,689 1,690 1,694 1,696 1,698 2,699 1,700 2,703 23,704 2,705 2,706 4,707 1,708 1,709 4,711 6.8,712 2,715 1,716 12.167,717 7.033,718 5.194,719 2.403,720 2.055,721 1.292,722 0.896,723 4.936,724 9.085,725 3.434,726 3.994,727 4.604,728 5.197,729 5.646,730 5.997,731 6.36,732 6.708,733 6.648,734 6.759,735 0.857,736 36,737 8.562,739 3.775,740 7.993,741 15.891,743 13.178,745 2.493,746 57.333,748 164.795,749 32.276,750 136.061,751 96.367,753 32.276,754 261.162,755 136.061,757 41.749,758 136.275,759 95.233,760 12.662,761 14.099,762 129.482,763 164.795,764 168.337,765 96.367,767 141.253,768 23.542,769 96.367,770 82.755,771 35.225,772 50.357,774 164.795,775 232.427,776 32.276,777 164.795,778 15.039,779 19.136,780 18.011,781 212.518,782 164.795,783 232.427,784 32.276,785 0.575,786 0.35,787 0.188,788 0.097,789 17,790 8,791 0.13,792 6,793 1,794 1.143,795 3.484,796 183.874,797 0.143,798 14,799 104.042,801 16.355,802 6.942,803 3.107,804 0.882,805 230.528,806 2.792,807 12.141,808 0.252,809 1.557,810 169.172,811 429.499,812 30,818 44.88,819 51.023,820 0.314,821 0.688,822 0.874,823 0.942,824 0.95,825 0.95,826 4.687,827 1.05,828 5.659,829 3.346,830 4.263,831 4.677,832 1.249,833 6.524,834 4.107,835 5.866,836 1.021,837 7.255,838 2.924,839 3.892,840 4.527,842 7.548,843 3.669,844 7.173,845 0.762,846 8.959,847 1.928,848 5.894,849 6.873,850 1.224,851 10.712,852 5.592,853 8.525,854 0.304,855 10.727,856 1.818,857 6.415,858 7.667,860 12.588,861 6.037,862 9.919,863 -0.097,864 12.535,865 0.565,866 7.876,867 9.494,868 1.268,869 15.268,870 7.424,871 11.342,872 -0.319,873 14.37,874 -0.19,875 8.781,876 10.704,878 17.466,879 8.25,880 12.789,881 -0.659,882 16.224,883 -0.71,884 10.05,885 12.341,886 1.324,887 19.987,888 9.445,889 3.298,890 -0.905,891 18.091,892 -1.36,893 11.114,894 13.731,896 22.317,897 10.428,898 3.002,899 11.609,900 19.968,901 -2.186,902 12.315,903 15.296,904 1.383,905 24.781,906 11.554,907 2.397,908 10.118,909 21.854,910 4.581,911 13.444,912 16.761,914 27.169,915 12.601,916 1.965,917 7.936,918 23.745,919 3.325,920 14.624,921 18.299,922 1.444,923 29.614,924 13.704,925 1.705,926 5.888,927 25.642,928 2.923,929 15.779,930 19.796,932 32.029,933 14.779,934 1.572,935 4.731,936 27.542,937 2.324,938 16.955,939 21.324,940 1.506,941 34.469,942 15.875,943 1.54,944 3.672,945 29.446,946 2.135,947 18.122,948 22.835,950 36.897,951 16.962,952 5322,953 9220,954 16.414,955 26.733,956 37.348,957 37.957,958 39.623,959 37.268,960 37.233,961 44.978,962 2.882,963 109.065,964 34.27,965 5.601,966 5.585,967 6.86,968 5.333,969 5.298,970 7.581,971 2.082,972 19.318,973 4.953,974 11.978,975 1.494,976 1.518,977 1.585,978 1.491,979 1.489,980 1.799,981 0.115,982 4.363,983 1.371,984 4.104,985 4.156,986 4.081,987 3.904,988 6.494,989 3.943,990 3.821,991 3.864,992 3.737,993 3.629,994 6.4,995 3.648,996 3.651,997 3.722,998 3.496,999 3.461,1000 5.271,1001 3.458,1002 3.364,1003 3.456,1004 3.267,1005 3.116,1006 5.007,1007 3.139,1008 3.248,1009 3.341,1010 3.095,1011 2.961,1012 4.855,1013 2.985,1014 2.994,1015 3.104,1016 2.886,1017 2.704,1018 4.558,1019 2.732,1020 2.953,1021 3.057,1022 2.736,1023 2.65,1024 4.445,1025 2.658,1026 2.768,1027 2.825,1028 2.608,1029 2.38,1030 4.164,1031 2.416,1032 0.186,1033 0.143,1034 0.277,1035 0.169,1036 0.132,1037 4.641,1038 0.183,1039 3.585,1040 0.042,1041 6.924,1042 0.464,1043 4.221,1044 0.122,1045 3.298,1046 4.581,1047 1.041,1048 11.609,1049 3.043,1050 1.797,1051 1.751,1052 1.938,1053 2.008,1054 1.234,1055 1.965,1056 1.697,1057 1.631,1058 1.848,1059 1.924,1060 1.142,1061 1.933,1062 1.577,1063 1.526,1064 1.774,1065 1.81,1066 0.998,1067 1.791,1068 1.492,1069 1.435,1070 1.66,1071 1.752,1072 0.761,1073 1.739,1074 1.182,1075 1.104,1076 1.439,1077 1.507,1078 0.541,1079 1.491,1080 1.011,1081 0.918,1082 1.309,1083 1.346,1084 0.398,1085 1.337,1086 0.814,1087 0.729,1088 1.148,1089 1.224,1090 0.162,1091 1.212,1092 0.787,1093 0.66,1094 1.086,1095 1.115,1097 1.115,1098 3.932,1099 5.252,1100 3.045,1101 6.772,1102 5.476,1103 8.389,1104 7.627,1105 10.061,1107 11.182,1108 20.464,1109 2.561,1110 3.145,1111 5.787,1112 -3.429,1114 25.982,1115 75.464,1116 165.321,1117 209.95,1118 226.215,1119 228.215,1120 228.215,1121 48.264,1122 7.03,1123 157.36,1124 157.36,1125 16,1126 12.526,1127 3.459,1128 2.585,1129 36.871,1130 76,1131 104,1132 0.24,1133 161.13,1134 267.39,1135 384.917,1136 9469,1137 16.397,1138 0.713,1139 0.545,1140 16.397,1141 12.539,1142 11.13,1143 0.445,1144 0.299,1145 7.298,1146 10.454,1147 7.26,1148 5.942,1149 11.13,1150 7.486,1151 9.704,1152 0.277,1153 0.156,1154 9.704,1155 5.476,1156 8.663,1157 0.177,1158 0.08,1159 8.663,1160 3.902,1161 7.063,1162 0.109,1163 0.041,1164 7.063,1165 2.655,1166 5.319,1167 0.069,1168 0.022,1169 5.319,1170 1.66,1171 0.372,1172 71.795,1173 0.247,1174 22.498,1175 0.674,1176 120,1177 385.573,1178 139.766,1179 360.995,1180 486.51,1181 338,1182 144,1183 351.31,1184 166.51,1185 348.213,1186 521.54,1187 328,1188 4.301}
{0 CHEMBL611536,1 1.744,2 9.957,3 -2.772,4 7.682,5 82.458,6 7.652,7 0.4,8 3.885,9 4.022,10 3.441,11 3.221,12 5.078,13 3.268,14 4.407,15 4.579,16 3.813,17 3.619,18 5.547,19 3.644,20 4.673,21 4.876,22 3.908,23 3.71,24 5.941,25 3.71,26 4.697,27 4.926,28 3.798,29 3.696,30 5.849,31 3.674,32 4.639,33 4.883,34 3.67,35 3.641,36 5.763,37 3.599,38 4.553,39 4.793,40 3.603,41 3.549,42 5.724,43 3.507,44 4.478,45 4.722,46 3.467,47 3.435,48 5.666,49 3.384,50 4.347,51 4.599,52 3.202,53 3.267,54 5.567,55 3.187,56 0.204,57 0.637,58 9.2,59 2.622,60 27.941,61 4.145,62 0.486,63 0.929,64 16.99,65 4.751,66 46.394,67 7.134,68 0.943,69 0.99,70 24.614,71 5.926,72 94.18,73 9.513,74 0.888,75 0.967,76 25.906,77 5.907,78 75.809,79 9.553,80 0.733,81 0.888,82 24.538,83 5.717,84 70.683,85 9.46,86 0.684,87 0.801,88 22.545,89 5.357,90 70.753,91 8.847,92 0.678,93 0.725,94 21.136,95 4.754,96 73.399,97 7.956,98 0.615,99 0.613,100 18.781,101 3.911,102 81.161,103 6.934,104 22,105 35,106 0.309,107 0.714,108 0.885,109 0.913,110 0.922,111 0.922,112 3.189,113 0.859,114 -0.91,115 -1.02,116 -1.12,117 31,121 2,122 3,123 1,124 1,125 1,129 1,130 1,131 1,139 1,140 1,141 2,142 2,143 2,151 4,153 1,154 1,156 2,161 1,164 2,166 1,167 5,168 1,174 3,176 2,177 3,178 2,180 1,186 1,188 3,189 1,194 1,196 1,197 3,199 1,204 1,206 1,207 4,208 1,209 1,210 1,216 1,217 2,220 2,224 2,226 1,227 2,228 2,231 2,235 750,236 15.613,237 15.613,238 15.613,239 15.613,240 15.613,241 14.176,242 19.393,243 9.318,244 16.159,245 12.266,246 12.266,247 12.266,248 12.266,249 12.266,250 10.105,251 24.12,252 4.35,253 13.235,254 3.648,255 1.36,256 0.399,257 0.238,258 0.19,259 0.19,260 3.866,263 1,264 487,265 3,266 108.453,267 59.895,268 90.386,269 1.701,270 34.675,272 0.75,273 0.67,274 0.83,275 0.9,276 1,277 0.67,278 0.5,279 0.76,280 52.5,281 229,282 4.641,283 3.585,284 6.924,285 4.221,286 3.298,287 4.581,288 1.041,289 11.609,290 3.043,291 4.143,292 3.129,293 6.53,294 3.941,295 3.002,296 3.325,297 0.522,298 10.118,299 2.81,300 3.665,301 2.601,302 5.893,303 3.324,304 2.397,305 2.924,306 0.4,307 7.936,308 2.214,309 3.213,310 2.284,311 5.239,312 2.897,313 1.965,314 2.324,316 5.888,317 1.824,318 3.052,319 2.064,320 4.789,321 2.655,322 1.705,323 2.286,324 4.731,325 1.617,326 3.008,327 1.968,328 4.145,329 2.475,330 1.572,331 2.079,332 3.672,333 1.414,334 2.729,335 1.549,336 4.069,337 2.443,338 1.54,339 1.751,340 3.346,341 1.386,342 2.414,343 1.528,344 3.737,345 1.968,346 1.05,347 1.387,349 2.924,350 0.96,351 2.104,352 1.241,353 3.306,354 1.921,355 1.021,356 1.038,358 1.928,359 0.914,360 2.028,361 0.901,362 3.181,363 1.656,364 0.762,365 0.987,367 1.818,368 0.679,369 1.491,370 0.737,371 2.698,372 1.21,373 0.304,374 0.334,376 0.565,377 0.273,378 1.097,379 0.344,380 2.478,381 0.774,382 -0.097,383 -0.107,385 -0.19,386 -0.084,387 0.979,388 -0.148,389 2.367,390 0.583,391 -0.319,392 -0.405,394 -0.71,395 -0.288,396 0.609,397 -0.309,398 2.139,399 0.251,400 -0.659,401 -0.718,403 -1.36,404 -0.598,405 0.311,406 -0.572,407 2,408 0.004,409 -0.905,410 -1.049,412 -2.186,413 -0.821,414 10.3,415 0.448,416 0.542,417 0.024,418 26.25,419 1.141,420 9.5,421 0.413,422 16.75,423 0.728,424 18.674,425 0.812,426 26.9,427 0.64,428 19.98,429 0.869,430 5.446,431 0.237,432 5.684,433 0.247,434 0.142,435 0.379,436 1.151,437 1.693,438 0.845,439 1.212,440 1.19,441 0.967,442 1.1,443 1.184,444 0.937,445 1.128,446 0.975,447 1.006,448 0.969,449 1.169,450 0.896,451 1.1,452 0.907,453 1.01,454 1.151,455 0.89,456 1.036,457 0.947,458 1.07,459 0.974,460 1.045,461 0.919,462 1.006,463 1.003,464 1.002,465 0.991,466 0.995,467 1.003,468 0.948,469 1.056,470 1.005,471 1.003,472 1.069,473 0.975,474 1.046,475 1.048,476 1.027,477 1.054,478 1.126,479 1.101,480 1.171,481 1.095,482 1.247,483 1.153,484 3.5,485 0.057,486 3.111,487 2.174,488 1.273,489 0.747,490 0.543,491 0.354,492 0.165,493 0.07,494 5325,495 16620,496 2.041,497 45.2,499 8,500 2,501 2,502 7,506 1.658,507 1.89,508 3.259,509 4.702,514 73.255,515 1.744,516 4.032,517 4.993,518 5.154,519 5.202,520 5.202,521 2.794,522 4.35,523 4.485,524 3.41,525 862.799,526 7.733,527 9658.62,531 226.477,532 1.478,533 4.443,534 0.14,535 0.006,536 0.089,537 0.06,538 0.04,539 0.027,540 0.021,541 0.016,542 0.01,543 0.006,544 0.416,545 0.17,546 1,547 1.619,548 107.22,549 -0.262,550 -0.311,551 -0.007,552 -0.022,553 -0.272,554 0.051,555 -0.105,556 0.052,557 -0.039,558 -0.027,559 -0.142,560 -0.018,561 0.195,562 -0.157,563 0.082,564 -0.074,565 0.161,566 -0.033,567 -0.035,568 0.087,569 -0.046,570 0.02,571 -0.065,572 -0.019,573 -0.05,574 0.045,575 -0.027,576 -0.017,577 -0.016,578 -0.007,579 0.025,580 -0.056,581 0.036,582 -0.052,583 0.029,584 -0.007,585 -0.018,586 -0.046,587 -0.052,588 -0.084,589 0.025,590 -0.083,591 -0.083,592 -0.202,593 -0.171,594 -0.149,595 -0.022,596 -0.188,597 2.45,598 4.267,599 0.609,600 20.219,601 1.024,602 1.157,603 -0.318,604 0.101,605 0.618,606 3.258,607 3.584,608 3.912,609 4.19,610 4.357,611 4.489,612 4.615,613 4.718,614 4.691,615 4.635,616 5.725,617 0.606,618 321.39,619 3.258,620 4.796,621 5.666,622 6.558,623 7.455,624 8.361,625 9.27,626 10.184,627 11.098,628 12.015,629 16.7,630 1,631 1,633 1,635 1,637 3,638 2,639 2,640 3,641 1,642 1,643 10,646 1,647 42,648 11,650 25,651 44,652 13,653 5,657 3,658 4,661 1,662 3,663 3,664 7,665 6,666 1,669 2,674 19,675 9,676 7,677 10,679 1,680 7,682 0.667,683 3,684 2,685 1,687 1,688 2,689 1,690 1,693 1,694 1,696 1,698 2,699 1,700 2,703 23,704 2,705 2,706 2,707 1,708 1,709 4,711 7.1,712 2,715 1,716 12.167,717 6.7,718 5.194,719 2.139,720 2.242,721 1.319,722 0.9,723 4.745,724 9.272,725 3.466,726 4.03,727 4.634,728 5.214,729 5.66,730 6.012,731 6.375,732 6.725,733 6.675,734 6.802,735 0.857,736 36,737 8.533,739 3.755,740 8.036,741 15.672,743 12.853,745 2.536,746 58.333,748 141.253,749 46.16,750 136.061,751 96.367,753 46.16,754 237.62,755 136.061,757 46.156,758 145.751,759 95.233,760 12.662,761 25.87,762 94.169,763 141.253,764 182.22,765 96.367,767 141.253,769 96.367,770 78.115,771 44.273,772 59.833,774 141.253,775 232.427,776 46.16,777 141.253,778 10.399,779 37.66,780 18.011,781 212.518,782 141.253,783 232.427,784 46.16,785 0.575,786 0.35,787 0.188,788 0.097,789 17,790 8,791 0.114,792 5,793 1,794 1.143,795 3.484,796 183.874,797 0.143,798 14,799 104.042,801 16.104,802 6.777,803 3.015,804 0.857,805 230.528,806 2.769,807 12.111,808 0.243,809 1.539,810 169.172,811 419.84,812 31,815 3.411,818 42.996,819 48.608,820 0.323,821 0.748,822 0.926,823 0.956,824 0.965,825 0.965,826 4.714,827 1.05,828 5.659,829 3.346,830 4.263,831 4.714,832 1.394,833 6.524,834 4.107,835 5.902,836 1.021,837 7.255,838 2.924,839 3.892,840 4.527,842 7.548,843 3.669,844 7.208,845 0.762,846 8.959,847 1.928,848 5.894,849 6.905,850 1.266,851 10.712,852 5.592,853 8.558,854 0.304,855 10.727,856 1.818,857 6.415,858 7.667,860 12.588,861 6.037,862 9.948,863 -0.097,864 12.535,865 0.565,866 7.876,867 9.509,868 1.279,869 15.268,870 7.424,871 11.367,872 -0.319,873 14.37,874 -0.19,875 8.781,876 10.704,878 17.466,879 8.25,880 12.808,881 -0.659,882 16.224,883 -0.71,884 10.05,885 12.347,886 1.327,887 19.987,888 9.445,889 3.298,890 -0.905,891 18.091,892 -1.36,893 11.114,894 13.731,896 22.317,897 10.428,898 3.002,899 11.609,900 19.968,901 -2.186,902 12.315,903 15.297,904 1.384,905 24.781,906 11.554,907 2.397,908 10.118,909 21.854,910 4.581,911 13.444,912 16.761,914 27.169,915 12.601,916 1.965,917 7.936,918 23.745,919 3.325,920 14.624,921 18.299,922 1.444,923 29.614,924 13.704,925 1.705,926 5.888,927 25.642,928 2.924,929 15.779,930 19.796,932 32.029,933 14.779,934 1.572,935 4.731,936 27.542,937 2.324,938 16.955,939 21.324,940 1.506,941 34.469,942 15.875,943 1.54,944 3.672,945 29.446,946 2.286,947 18.122,948 22.835,950 36.897,951 16.962,952 5322,953 9494,954 16.414,955 25.972,956 37.696,957 37.986,958 39.623,959 37.268,960 37.233,961 46.033,962 3.925,963 109.065,964 34.27,965 5.567,966 5.585,967 6.86,968 5.333,969 5.298,970 7.581,971 2.082,972 19.318,973 4.953,974 11.978,975 1.508,976 1.519,977 1.585,978 1.491,979 1.489,980 1.841,981 0.157,982 4.363,983 1.371,984 4.104,985 4.156,986 4.081,987 3.904,988 6.494,989 3.943,990 3.819,991 3.859,992 3.739,993 3.631,994 6.4,995 3.651,996 3.637,997 3.701,998 3.519,999 3.467,1000 5.271,1001 3.471,1002 3.354,1003 3.443,1004 3.264,1005 3.106,1006 5.027,1007 3.131,1008 3.226,1009 3.318,1010 3.067,1011 2.942,1012 4.855,1013 2.964,1014 2.992,1015 3.104,1016 2.885,1017 2.692,1018 4.569,1019 2.727,1020 2.912,1021 3.009,1022 2.715,1023 2.613,1024 4.465,1025 2.621,1026 2.764,1027 2.819,1028 2.606,1029 2.376,1030 4.331,1031 2.413,1032 0.186,1033 0.143,1034 0.277,1035 0.169,1036 0.132,1037 4.641,1038 0.183,1039 3.585,1040 0.042,1041 6.924,1042 0.464,1043 4.221,1044 0.122,1045 3.298,1046 4.581,1047 1.041,1048 11.609,1049 3.043,1050 1.797,1051 1.751,1052 1.884,1053 2.008,1054 1.188,1055 1.965,1056 1.684,1057 1.628,1058 1.846,1059 1.898,1060 1.021,1061 1.898,1062 1.569,1063 1.521,1064 1.753,1065 1.808,1066 0.884,1067 1.781,1068 1.48,1069 1.426,1070 1.654,1071 1.731,1072 0.755,1073 1.723,1074 1.164,1075 1.09,1076 1.397,1077 1.484,1078 0.469,1079 1.464,1080 0.963,1081 0.87,1082 1.251,1083 1.308,1084 0.244,1085 1.291,1086 0.803,1087 0.716,1088 1.145,1089 1.222,1090 0.122,1091 1.21,1092 0.784,1093 0.66,1094 1.065,1095 1.079,1097 1.082,1098 3.932,1099 5.252,1100 3.045,1101 6.772,1102 5.476,1103 8.389,1104 7.627,1105 10.061,1107 11.088,1108 20.422,1109 0.74,1110 2.964,1111 5.753,1112 -3.562,1114 25.455,1115 73.255,1116 169.358,1117 209.722,1118 216.477,1119 218.477,1120 218.477,1121 46.399,1122 7.03,1123 157.36,1124 157.36,1125 16,1126 12.526,1127 3.585,1128 2.807,1129 36.871,1130 76,1131 104,1132 0.24,1133 158.202,1134 264.75,1135 377.774,1136 9469,1137 16.397,1138 0.713,1139 0.534,1140 16.397,1141 12.279,1142 11.13,1143 0.445,1144 0.286,1145 6.977,1146 10.454,1147 6.938,1148 5.682,1149 11.13,1150 7.162,1151 9.704,1152 0.277,1153 0.148,1154 9.704,1155 5.176,1156 8.663,1157 0.177,1158 0.075,1159 8.663,1160 3.689,1161 7.063,1162 0.109,1163 0.039,1164 7.063,1165 2.519,1166 5.319,1167 0.069,1168 0.02,1169 5.319,1170 1.556,1171 0.372,1172 71.795,1173 0.247,1174 22.498,1175 0.674,1176 120,1177 395.573,1178 139.766,1179 371.891,1180 501.33,1181 348,1182 144,1183 362.592,1184 166.51,1185 360.113,1186 537.15,1187 339,1188 6.252}
{0 CHEMBL611588,1 1.806,2 8.545,3 -2.281,4 5.201,5 75.185,6 8.114,7 0.417,8 3.81,9 3.948,10 3.406,11 3.108,12 5.073,13 3.184,14 4.315,15 4.476,16 3.816,17 3.522,18 5.573,19 3.576,20 4.594,21 4.782,22 3.887,23 3.623,24 5.943,25 3.654,26 4.645,27 4.871,28 3.769,29 3.627,30 5.833,31 3.62,32 4.579,33 4.819,34 3.68,35 3.549,36 5.798,37 3.531,38 4.466,39 4.692,40 3.616,41 3.416,42 5.824,43 3.419,44 4.363,45 4.606,46 3.375,47 3.264,48 5.758,49 3.231,50 4.158,51 4.438,52 2.992,53 2.999,54 5.405,55 2.937,56 0.26,57 0.575,58 7.766,59 1.982,60 35.636,61 3.247,62 0.543,63 0.837,64 14.125,65 4.184,66 56.519,67 5.919,68 1.016,69 0.88,70 21.334,71 4.704,72 107.496,73 7.628,74 0.964,75 0.855,76 24.059,77 5.146,78 91.004,79 8.513,80 0.852,81 0.765,82 22.797,83 4.907,84 87.858,85 8.399,86 0.817,87 0.677,88 20.156,89 4.015,90 97.619,91 7.089,92 0.753,93 0.576,94 18.302,95 3.541,96 101.117,97 6.255,98 0.606,99 0.445,100 16.19,101 2.45,102 75.223,103 5.206,104 29,105 35,106 0.327,107 0.737,108 0.861,109 0.912,110 0.922,111 0.922,112 3.148,113 0.814,114 -0.85,115 -0.96,116 -1.07,117 28.9,121 1,122 3,123 1,129 1,130 1,131 1,138 1,139 1,140 1,141 2,142 2,143 2,151 4,153 1,154 1,155 3,158 2,164 2,166 1,167 5,168 1,174 3,176 2,177 3,178 1,187 1,188 5,189 1,194 1,196 1,197 3,198 2,200 1,206 1,207 5,208 3,210 2,216 1,217 1,220 1,226 2,227 5,228 1,231 1,235 626,236 14.483,237 14.483,238 14.483,239 14.483,240 14.483,241 13.098,242 16.818,243 8.297,244 15.082,245 11.784,246 11.784,247 11.784,248 11.784,249 11.784,250 9.707,251 20.383,252 3.899,253 12.835,254 3.442,255 1.174,256 0.494,257 0.211,258 0.158,259 0.158,260 3.82,264 398,265 3,266 100.689,267 55.687,268 84.007,269 1.455,270 36.874,272 0.5,273 0.67,274 0.67,275 0.8,277 0.5,278 0.5,279 0.52,280 51,281 188,282 4.641,283 3.585,284 6.924,285 4.221,286 3.298,287 4.581,288 1.119,289 11.609,290 3.043,291 4.144,292 3.131,293 6.53,294 3.942,295 3.003,296 3.325,297 1.041,298 10.118,299 2.811,300 3.675,301 2.767,302 5.894,303 3.336,304 2.411,305 2.932,306 0.135,307 7.94,308 2.224,309 3.531,310 2.571,311 5.244,312 3.109,313 2.204,314 2.695,316 5.942,317 1.994,318 3.055,319 2.21,320 4.814,321 2.78,322 1.854,323 2.323,324 5.105,325 1.708,326 3.018,327 1.968,328 4.596,329 2.475,330 1.582,331 2.098,332 4.617,333 1.411,334 2.722,335 1.549,336 4.141,337 2.442,338 1.541,339 1.747,340 3.671,341 1.383,342 2.413,343 1.251,344 4.067,345 1.944,346 1.04,347 1.385,349 2.925,350 0.936,351 2.101,352 1.125,353 3.306,354 1.662,355 0.766,356 0.995,358 1.824,359 0.685,360 1.724,361 0.875,362 3.121,363 1.504,364 0.618,365 0.651,367 1.402,368 0.545,369 1.099,370 0.546,371 2.659,372 0.797,373 -0.053,374 -0.057,376 -0.122,377 -0.045,378 0.978,379 -0.149,380 2.367,381 0.581,382 -0.319,383 -0.406,385 -0.726,386 -0.288,387 0.611,388 -0.325,389 2.275,390 0.172,391 -0.732,392 -0.822,394 -2,395 -0.658,396 0.459,397 -0.447,398 2,399 -0.091,400 -1,401 -1.184,403 -2.017,404 -0.9,405 0.163,406 -0.778,407 2,408 -0.1,409 -1,410 -1.261,412 -2.709,413 -0.903,414 9.7,415 0.441,416 0.686,417 0.031,418 26.5,419 1.205,420 10,421 0.455,422 16.5,423 0.75,424 16.955,425 0.771,426 25.7,427 0.676,428 20.416,429 0.928,430 5.45,431 0.248,432 5.036,433 0.229,434 0.192,435 0.454,436 1.21,437 1.751,438 0.82,439 1.179,440 1.222,441 0.896,442 1.02,443 1.087,444 0.846,445 1.129,446 0.818,447 0.968,448 1.088,449 1.162,450 1.01,451 1.114,452 1.018,453 1.059,454 1.15,455 0.932,456 1.047,457 0.981,458 1.062,459 1,460 0.94,461 0.918,462 0.947,463 1.015,464 0.934,465 0.985,466 1.045,467 1.07,468 0.972,469 1.047,470 0.961,471 1.006,472 1.028,473 0.886,474 1.181,475 1.071,476 1.136,477 1.169,478 1.078,479 1.009,480 1.107,481 0.865,482 1.211,483 0.977,484 4.5,485 0.07,486 3.333,487 2.174,488 1.353,489 0.803,490 0.599,491 0.282,492 0.152,493 0.115,494 4484,495 15919,496 2.017,497 42.1,499 5,500 1,501 2,502 8,506 1.648,507 1.833,508 3.089,509 5.842,514 68.613,515 1.806,516 4.073,517 4.754,518 5.037,519 5.09,520 5.09,521 2.573,522 4.278,523 4.427,524 3.241,525 748.722,526 7.622,527 8003.04,531 199.421,532 1.544,533 4.36,534 0.188,535 0.012,536 0.095,537 0.062,538 0.044,539 0.029,540 0.023,541 0.015,542 0.012,543 0.012,544 0.49,545 0.17,546 0.75,547 1.297,548 99.799,549 -0.344,550 -0.363,551 -0.033,552 0.005,553 -0.324,554 0.085,555 -0.055,556 0.185,557 0.003,558 0.005,559 -0.034,560 0.01,561 0.06,562 -0.115,563 -0.062,564 -0.082,565 0.022,566 -0.101,567 -0.09,568 0.026,569 -0.065,570 0.017,571 -0.122,572 -0.019,573 0.035,574 0.021,575 0.041,576 -0.013,577 0.014,578 0.021,579 0.028,580 -0.137,581 0.022,582 -0.063,583 0.089,584 -0.027,585 -0.008,586 0.036,587 -0.186,588 -0.155,589 0.027,590 -0.225,591 -0.132,592 -0.21,593 -0.064,594 0.011,595 -0.105,596 -0.005,597 2.521,598 4.183,599 0.636,600 16.901,601 1.035,602 1.165,603 -0.376,604 0.142,605 0.617,606 3.219,607 3.584,608 3.892,609 4.174,610 4.357,611 4.489,612 4.605,613 4.71,614 4.654,615 4.585,616 5.209,617 0.616,618 308.35,619 3.219,620 4.779,621 5.652,622 6.555,623 7.454,624 8.366,625 9.275,626 10.191,627 11.106,628 12.024,629 21.1,630 1,631 1,633 1,635 1,636 1,637 3,638 2,639 2,640 3,641 1,642 1,643 10,646 1,647 38,648 11,650 24,651 40,652 11,653 5,657 3,658 4,660 1,662 3,663 3,664 6,665 5,666 1,667 1,671 1,674 16,675 10,676 8,677 11,679 1,680 8,682 0.667,683 3,684 2,685 1,687 1,688 2,689 1,690 1,694 1,696 1,698 2,699 1,700 2,703 22,704 2,705 2,706 1,707 1,708 1,709 4,711 7.9,712 2,715 1,716 12,717 6.033,718 4.778,719 1.819,720 2.133,721 1.307,722 0.901,723 3.942,724 9.084,725 3.434,726 4.03,727 4.604,728 5.197,729 5.653,730 6.004,731 6.365,732 6.716,733 6.661,734 6.785,735 0.833,736 35,737 8.146,739 3.666,740 8.205,741 14.663,743 12.144,745 2.705,746 59.5,748 94.169,749 27.429,750 167.733,751 96.367,753 27.429,754 190.535,755 167.733,757 35.003,758 136.275,759 95.233,760 44.334,761 15.998,762 58.856,763 94.169,764 195.162,765 96.367,767 94.169,769 96.367,770 107.681,771 37.124,772 50.357,774 94.169,775 264.099,776 27.429,777 94.169,778 10.192,779 19.136,780 18.011,781 244.19,782 94.169,783 264.099,784 27.429,785 0.594,786 0.349,787 0.184,788 0.1,789 18,790 9,791 0.1,792 4,793 1,794 1.143,795 3.313,796 176.936,797 0.143,798 14,799 98.107,801 15.079,802 5.752,803 2.659,804 0.78,805 262.2,806 2.694,807 12,808 0.214,809 1.481,810 200.844,811 385.698,812 30,813 7.116,817 -0.248,818 39.331,819 44.275,820 0.344,821 0.776,822 0.906,823 0.96,824 0.97,825 0.97,826 4.705,827 1.04,828 5.673,829 3.671,830 4.263,831 4.714,832 1.658,833 6.547,834 4.094,835 5.916,836 0.766,837 7.28,838 2.925,839 4.007,840 4.649,841 0.623,842 7.585,843 3.775,844 7.237,845 0.618,846 8.989,847 1.824,848 5.916,849 6.917,850 1.664,851 10.727,852 5.598,853 8.595,854 -0.053,855 10.756,856 1.402,857 6.479,858 7.721,859 0.915,860 12.597,861 6.092,862 9.988,863 -0.319,864 12.56,865 -0.122,866 7.901,867 9.521,868 1.738,869 15.273,870 7.437,871 11.406,872 -0.732,873 14.39,874 -0.726,875 8.815,876 10.726,877 1.12,878 17.469,879 8.278,880 12.845,881 -1,882 16.24,883 -2,884 10.068,885 12.354,886 1.841,887 19.988,888 9.455,889 3.298,890 -1,891 18.103,892 -2.017,893 11.132,894 13.739,895 1.302,896 22.318,897 10.442,898 3.003,899 11.609,900 19.977,901 -2.709,902 12.327,903 15.301,904 1.961,905 24.782,906 11.561,907 2.411,908 10.118,909 21.86,910 4.581,911 13.454,912 16.764,913 1.481,914 27.17,915 12.609,916 2.204,917 7.94,918 23.75,919 3.325,920 14.631,921 18.301,922 2.092,923 29.615,924 13.709,925 1.854,926 5.942,927 25.645,928 2.932,929 15.785,930 19.798,931 1.663,932 32.029,933 14.783,934 1.582,935 5.105,936 27.545,937 2.695,938 16.959,939 21.324,940 2.233,941 34.47,942 15.878,943 1.541,944 4.617,945 29.448,946 2.323,947 18.126,948 22.835,949 1.851,950 36.898,951 16.965,952 4499,953 8535,954 15.433,955 23.455,956 37.049,957 37.345,958 38.941,959 36.665,960 36.634,961 45.466,962 4.59,963 110.309,964 33.479,965 5.58,966 5.585,967 6.453,968 5.334,969 5.298,970 7.581,971 2.16,972 19.318,973 4.948,974 12.895,975 1.544,976 1.556,977 1.623,978 1.528,979 1.526,980 1.894,981 0.191,982 4.596,983 1.395,984 4.104,985 4.155,986 4.081,987 3.903,988 6.495,989 3.943,990 3.814,991 3.852,992 3.737,993 3.618,994 6.4,995 3.641,996 3.537,997 3.625,998 3.449,999 3.245,1000 5.885,1001 3.285,1002 3.319,1003 3.405,1004 3.245,1005 3.043,1006 5.271,1007 3.085,1008 3.09,1009 3.178,1010 2.933,1011 2.823,1012 4.855,1013 2.838,1014 2.99,1015 3.103,1016 2.874,1017 2.679,1018 4.796,1019 2.716,1020 2.773,1021 2.83,1022 2.614,1023 2.385,1024 4.551,1025 2.423,1026 2.601,1027 2.686,1028 2.406,1029 2.135,1030 4.433,1031 2.16,1032 0.193,1033 0.149,1034 0.288,1035 0.176,1036 0.137,1037 4.641,1038 0.191,1039 3.585,1040 0.047,1041 6.924,1042 0.484,1043 4.221,1044 0.127,1045 3.298,1046 4.581,1047 1.119,1048 11.609,1049 3.043,1050 1.797,1051 1.751,1052 1.851,1053 2.008,1054 1.184,1055 1.965,1056 1.636,1057 1.588,1058 1.818,1059 1.878,1060 1.011,1061 1.862,1062 1.533,1063 1.478,1064 1.673,1065 1.804,1066 0.762,1067 1.768,1068 1.309,1069 1.229,1070 1.49,1071 1.639,1072 0.474,1073 1.604,1074 1.095,1075 1.025,1076 1.323,1077 1.411,1078 0.202,1079 1.388,1080 0.827,1081 0.746,1082 1.148,1083 1.226,1084 0.004,1085 1.214,1086 0.789,1087 0.661,1088 1.086,1089 1.15,1091 1.134,1092 0.653,1093 0.572,1094 0.924,1095 1.002,1097 0.976,1098 3.892,1099 5.242,1100 3.045,1101 6.777,1102 5.476,1103 8.4,1104 7.627,1105 10.073,1107 10.909,1108 20.231,1109 0.091,1110 2.545,1111 5.636,1112 -3.95,1114 23.423,1115 68.613,1116 154.792,1117 180.666,1118 191.421,1119 193.421,1120 193.421,1121 44.795,1122 6.952,1123 181.21,1124 181.21,1125 16,1126 12.534,1127 3.585,1128 2.807,1129 34.388,1130 67,1131 72,1132 0.258,1133 145.812,1134 241.15,1135 347.542,1136 8328,1137 15.853,1138 0.721,1139 0.519,1140 15.853,1141 11.417,1142 10.486,1143 0.437,1144 0.271,1145 6.324,1146 9.781,1147 6.303,1148 5.136,1149 10.486,1150 6.512,1151 9.826,1152 0.281,1153 0.141,1154 9.826,1155 4.924,1156 8.349,1157 0.174,1158 0.073,1159 8.349,1160 3.492,1161 6.777,1162 0.106,1163 0.037,1164 6.777,1165 2.394,1166 5.234,1167 0.068,1168 0.019,1169 5.234,1170 1.488,1171 0.393,1172 68.108,1173 0.255,1174 21.341,1175 0.745,1176 118,1177 407.906,1178 139.625,1179 385.654,1180 516.23,1181 358,1182 142,1183 375.423,1184 165.343,1185 372.948,1186 553.64,1187 350,1188 4.097}