"molecule_id","AAC","AECC","ALOGP","ALOGP2","AMR","AMW","ARR","ATS1e","ATS1i","ATS1m","ATS1p","ATS1s","ATS1v","ATS2e","ATS2i","ATS2m","ATS2p","ATS2s","ATS2v","ATS3e","ATS3i","ATS3m","ATS3p","ATS3s","ATS3v","ATS4e","ATS4i","ATS4m","ATS4p","ATS4s","ATS4v","ATS5e","ATS5i","ATS5m","ATS5p","ATS5s","ATS5v","ATS6e","ATS6i","ATS6m","ATS6p","ATS6s","ATS6v","ATS7e","ATS7i","ATS7m","ATS7p","ATS7s","ATS7v","ATS8e","ATS8i","ATS8m","ATS8p","ATS8s","ATS8v","ATSC1e","ATSC1i","ATSC1m","ATSC1p","ATSC1s","ATSC1v","ATSC2e","ATSC2i","ATSC2m","ATSC2p","ATSC2s","ATSC2v","ATSC3e","ATSC3i","ATSC3m","ATSC3p","ATSC3s","ATSC3v","ATSC4e","ATSC4i","ATSC4m","ATSC4p","ATSC4s","ATSC4v","ATSC5e","ATSC5i","ATSC5m","ATSC5p","ATSC5s","ATSC5v","ATSC6e","ATSC6i","ATSC6m","ATSC6p","ATSC6s","ATSC6v","ATSC7e","ATSC7i","ATSC7m","ATSC7p","ATSC7s","ATSC7v","ATSC8e","ATSC8i","ATSC8m","ATSC8p","ATSC8s","ATSC8v","BAC","BBI","BIC0","BIC1","BIC2","BIC3","BIC4","BIC5","BID","BLI","BLTA96","BLTD48","BLTF96","Br.094","C.","C.001","C.002","C.003","C.004","C.005","C.006","C.008","C.009","C.011","C.012","C.013","C.015","C.016","C.017","C.019","C.021","C.022","C.024","C.025","C.026","C.027","C.028","C.029","C.030","C.031","C.032","C.033","C.034","C.035","C.039","C.040","C.041","C.042","C.043","C.044","CATS2D_00_DD","CATS2D_00_DP","CATS2D_00_PP","CATS2D_01_AA","CATS2D_01_AN","CATS2D_01_DA","CATS2D_01_DN","CATS2D_01_LL","CATS2D_01_NL","CATS2D_02_AA","CATS2D_02_AL","CATS2D_02_AP","CATS2D_02_DA","CATS2D_02_DD","CATS2D_02_DL","CATS2D_02_LL","CATS2D_02_NL","CATS2D_02_PL","CATS2D_03_AA","CATS2D_03_AL","CATS2D_03_AP","CATS2D_03_DA","CATS2D_03_DD","CATS2D_03_DL","CATS2D_03_DP","CATS2D_03_LL","CATS2D_03_NL","CATS2D_03_PL","CATS2D_04_AA","CATS2D_04_AL","CATS2D_04_AP","CATS2D_04_DA","CATS2D_04_DD","CATS2D_04_DL","CATS2D_04_DP","CATS2D_04_LL","CATS2D_04_PL","CATS2D_04_PP","CATS2D_05_AA","CATS2D_05_AL","CATS2D_05_AP","CATS2D_05_DA","CATS2D_05_DD","CATS2D_05_DL","CATS2D_05_DN","CATS2D_05_DP","CATS2D_05_LL","CATS2D_05_PL","CATS2D_06_AA","CATS2D_06_AL","CATS2D_06_AP","CATS2D_06_DA","CATS2D_06_DD","CATS2D_06_DL","CATS2D_06_LL","CATS2D_06_PL","CATS2D_07_AA","CATS2D_07_AL","CATS2D_07_AN","CATS2D_07_AP","CATS2D_07_DA","CATS2D_07_DD","CATS2D_07_DL","CATS2D_07_LL","CATS2D_07_PL","CATS2D_08_AA","CATS2D_08_AL","CATS2D_08_AP","CATS2D_08_DA","CATS2D_08_DD","CATS2D_08_DL","CATS2D_08_DP","CATS2D_08_LL","CATS2D_08_PL","CATS2D_09_AA","CATS2D_09_AL","CATS2D_09_AP","CATS2D_09_DA","CATS2D_09_DD","CATS2D_09_DL","CATS2D_09_DP","CATS2D_09_LL","CATS2D_09_NL","CATS2D_09_PL","CENT","Chi0_AEA.bo.","Chi0_AEA.dm.","Chi0_AEA.ed.","Chi0_AEA.ri.","Chi0_EA","Chi0_EA.bo.","Chi0_EA.dm.","Chi0_EA.ed.","Chi0_EA.ri.","Chi1_AEA.bo.","Chi1_AEA.dm.","Chi1_AEA.ed.","Chi1_AEA.ri.","Chi1_EA","Chi1_EA.bo.","Chi1_EA.dm.","Chi1_EA.ed.","Chi1_EA.ri.","CIC0","CIC1","CIC2","CIC3","CIC4","CIC5","CID","Cl.089","CMC.50","CMC.80","cRo5","CSI","DBI","D.Dtr03","D.Dtr05","D.Dtr06","D.Dtr07","D.Dtr08","D.Dtr09","D.Dtr10","D.Dtr11","D.Dtr12","DECC","DELS","Depressant.50","Depressant.80","DLS_01","DLS_02","DLS_03","DLS_04","DLS_05","DLS_06","DLS_07","DLS_cons","Dz","ECC","Eig01_AEA.bo.","Eig01_AEA.dm.","Eig01_AEA.ed.","Eig01_AEA.ri.","Eig01_EA","Eig01_EA.bo.","Eig01_EA.dm.","Eig01_EA.ed.","Eig01_EA.ri.","Eig02_AEA.bo.","Eig02_AEA.dm.","Eig02_AEA.ed.","Eig02_AEA.ri.","Eig02_EA","Eig02_EA.bo.","Eig02_EA.dm.","Eig02_EA.ed.","Eig02_EA.ri.","Eig03_AEA.bo.","Eig03_AEA.dm.","Eig03_AEA.ed.","Eig03_AEA.ri.","Eig03_EA","Eig03_EA.bo.","Eig03_EA.dm.","Eig03_EA.ed.","Eig03_EA.ri.","Eig04_AEA.bo.","Eig04_AEA.dm.","Eig04_AEA.ed.","Eig04_AEA.ri.","Eig04_EA","Eig04_EA.bo.","Eig04_EA.dm.","Eig04_EA.ed.","Eig04_EA.ri.","Eig05_AEA.bo.","Eig05_AEA.dm.","Eig05_AEA.ed.","Eig05_AEA.ri.","Eig05_EA","Eig05_EA.bo.","Eig05_EA.dm.","Eig05_EA.ed.","Eig05_EA.ri.","Eig06_AEA.bo.","Eig06_AEA.dm.","Eig06_AEA.ed.","Eig06_AEA.ri.","Eig06_EA","Eig06_EA.bo.","Eig06_EA.dm.","Eig06_EA.ed.","Eig06_EA.ri.","Eig07_AEA.bo.","Eig07_AEA.dm.","Eig07_AEA.ed.","Eig07_AEA.ri.","Eig07_EA","Eig07_EA.bo.","Eig07_EA.dm.","Eig07_EA.ed.","Eig07_EA.ri.","Eig08_AEA.bo.","Eig08_AEA.dm.","Eig08_AEA.ed.","Eig08_AEA.ri.","Eig08_EA","Eig08_EA.bo.","Eig08_EA.dm.","Eig08_EA.ed.","Eig08_EA.ri.","Eig09_AEA.bo.","Eig09_AEA.dm.","Eig09_AEA.ed.","Eig09_AEA.ri.","Eig09_EA","Eig09_EA.bo.","Eig09_EA.dm.","Eig09_EA.ed.","Eig09_EA.ri.","Eig10_AEA.bo.","Eig10_AEA.dm.","Eig10_AEA.ed.","Eig10_AEA.ri.","Eig10_EA","Eig10_EA.bo.","Eig10_EA.dm.","Eig10_EA.ed.","Eig10_EA.ri.","Eig11_AEA.bo.","Eig11_AEA.dm.","Eig11_AEA.ed.","Eig11_AEA.ri.","Eig11_EA","Eig11_EA.bo.","Eig11_EA.ed.","Eig11_EA.ri.","Eig12_AEA.bo.","Eig12_AEA.dm.","Eig12_AEA.ed.","Eig12_AEA.ri.","Eig12_EA","Eig12_EA.bo.","Eig12_EA.ed.","Eig12_EA.ri.","Eig13_AEA.bo.","Eig13_AEA.dm.","Eig13_AEA.ed.","Eig13_AEA.ri.","Eig13_EA","Eig13_EA.bo.","Eig13_EA.ed.","Eig13_EA.ri.","Eig14_AEA.bo.","Eig14_AEA.dm.","Eig14_AEA.ed.","Eig14_AEA.ri.","Eig14_EA","Eig14_EA.bo.","Eig14_EA.ed.","Eig14_EA.ri.","Eig15_AEA.bo.","Eig15_AEA.dm.","Eig15_AEA.ed.","Eig15_AEA.ri.","Eig15_EA","Eig15_EA.bo.","Eig15_EA.ed.","Eig15_EA.ri.","Eta_alpha","Eta_alpha_A","Eta_B","Eta_B_A","Eta_beta","Eta_beta_A","Eta_betaP","Eta_betaP_A","Eta_betaS","Eta_betaS_A","Eta_C","Eta_C_A","Eta_epsi","Eta_epsi_A","Eta_F","Eta_F_A","Eta_FL","Eta_FL_A","Eta_L","Eta_L_A","Eta_sh_p","Eta_sh_x","Eta_sh_y","F.081","F.083","F.084","GATS1e","GATS1i","GATS1m","GATS1p","GATS1s","GATS1v","GATS2e","GATS2i","GATS2m","GATS2p","GATS2s","GATS2v","GATS3e","GATS3i","GATS3m","GATS3p","GATS3s","GATS3v","GATS4e","GATS4i","GATS4m","GATS4p","GATS4s","GATS4v","GATS5e","GATS5i","GATS5m","GATS5p","GATS5s","GATS5v","GATS6e","GATS6i","GATS6m","GATS6p","GATS6s","GATS6v","GATS7e","GATS7i","GATS7m","GATS7p","GATS7s","GATS7v","GATS8e","GATS8i","GATS8m","GATS8p","GATS8s","GATS8v","GGI1","GGI10","GGI2","GGI3","GGI4","GGI5","GGI6","GGI7","GGI8","GGI9","GMTI","GMTIV","GNar","H.","H.046","H.047","H.048","H.049","H.050","H.051","H.052","H.053","H.054","HDcpx","HNar","HVcpx","Hy","Hypertens.50","Hypertens.80","Hypnotic.80","I.099","IAC","IC0","IC1","IC2","IC3","IC4","IC5","ICR","IDDE","IDDM","IDE","IDET","IDM","IDMT","Infective.50","Infective.80","Inflammat.50","Inflammat.80","ISIZ","IVDE","IVDM","JGI1","JGI10","JGI2","JGI3","JGI4","JGI5","JGI6","JGI7","JGI8","JGI9","JGT","LLS_01","LLS_02","LOC","LPRS","MATS1e","MATS1i","MATS1m","MATS1p","MATS1s","MATS1v","MATS2e","MATS2i","MATS2m","MATS2p","MATS2s","MATS2v","MATS3e","MATS3i","MATS3m","MATS3p","MATS3s","MATS3v","MATS4e","MATS4i","MATS4m","MATS4p","MATS4s","MATS4v","MATS5e","MATS5i","MATS5m","MATS5p","MATS5s","MATS5v","MATS6e","MATS6i","MATS6m","MATS6p","MATS6s","MATS6v","MATS7e","MATS7i","MATS7m","MATS7p","MATS7s","MATS7v","MATS8e","MATS8i","MATS8m","MATS8p","MATS8s","MATS8v","MAXDN","MAXDP","MCD","MDDD","Me","Mi","MLOGP","MLOGP2","Mp","MPC01","MPC02","MPC03","MPC04","MPC05","MPC06","MPC07","MPC08","MPC09","MPC10","MSD","Mv","MW","MWC01","MWC02","MWC03","MWC04","MWC05","MWC06","MWC07","MWC08","MWC09","MWC10","N.","N.066","N.067","N.068","N.069","N.070","N.071","N.072","N.073","N.074","N.075","n124.Triazines","NaaaC","NaaCH","NaaN","NaaNH","NaaO","NaaS","NaasC","NaasN","nAB","nArCN","nArC.N","nArCNO","nArCO","nArCONH2","nArCONHR","nArCONR2","nArCOOH","nArNH2","nArNHR","nArNR2","nArOH","nArOR","nArX","nAT","nBM","nBnz","nBO","nBR","nBT","nC","nCar","nCb.","nCbH","nCconj","nCIC","nCIR","nCL","nCONN","nCp","nCq","nCrq","nCrs","nCrt","nCRX3","nCs","nCsp","nCsp2","nCsp3","nCt","nCXr","nDB","NdCH2","NddssS","NdO","NdsCH","NdsN","NdssC","NdssS","Neoplastic.50","Neoplastic.80","nF","nFuranes","nH","nHAcc","nHDon","nHet","nHM","nI","nImidazoles","nIsoxazoles","nN","nN.C.N.","nN.CO.2","NNRS","nO","nOHp","nOHs","nOHt","nOxazoles","nOxolanes","nPyrazines","nPyrazoles","nPyridazines","nPyridines","nPyrimidines","nPyrroles","nPyrrolidines","nR03","nR05","nR06","nR07","nR08","nR09","nR10","nR11","nR12","nR.C.","nR.CH.X","nRCN","nRCONHR","nRCONR2","nR.Cp","nR.Cs","nR.Ct","nRNH2","nRNHO","nRNHR","nRNR2","nROH","nROR","NRS","nRSR","nS","NsBr","NsCH3","NsCl","NsF","NsI","nSK","NsNH2","nSO","nS..O.2","nSO2N","NsOH","NssCH2","NssNH","NssO","NssS","NsssCH","NsssN","NssssC","nTB","NtCH","nThiazoles","nThiophenes","NtN","nTriazoles","NtsC","nX","O.","O.056","O.057","O.058","O.059","O.060","ON0","ON0V","ON1","ON1V","PCD","PCR","PDI","PHI","piID","piPC01","piPC02","piPC03","piPC04","piPC05","piPC06","piPC07","piPC08","piPC09","piPC10","PJI2","Pol","Psi_e_0","Psi_e_1","Psi_e_A","Psi_i_0","Psi_i_1","Psi_i_A","Psi_i_s","Psi_i_t","Psychotic.50","Psychotic.80","P_VSA_e_1","P_VSA_e_2","P_VSA_e_3","P_VSA_e_4","P_VSA_e_5","P_VSA_e_6","P_VSA_i_1","P_VSA_i_2","P_VSA_i_3","P_VSA_i_4","P_VSA_LogP_1","P_VSA_LogP_2","P_VSA_LogP_3","P_VSA_LogP_4","P_VSA_LogP_5","P_VSA_LogP_6","P_VSA_LogP_7","P_VSA_LogP_8","P_VSA_m_1","P_VSA_m_2","P_VSA_m_3","P_VSA_m_4","P_VSA_m_5","P_VSA_MR_1","P_VSA_MR_2","P_VSA_MR_3","P_VSA_MR_5","P_VSA_MR_6","P_VSA_MR_7","P_VSA_MR_8","P_VSA_p_1","P_VSA_p_2","P_VSA_p_3","P_VSA_p_4","P_VSA_s_1","P_VSA_s_2","P_VSA_s_3","P_VSA_s_4","P_VSA_s_5","P_VSA_s_6","P_VSA_v_1","P_VSA_v_2","P_VSA_v_3","P_VSA_v_4","PW2","PW3","PW4","PW5","Qindex","Ram","RBF","RBN","Rbrid","RCI","RDCHI","RDSQ","RFD","Rperim","S0K","S.107","S.109","S.110","S1K","S2K","S3K","SaaaC","SAacc","SaaCH","SaaN","SaaNH","SaaO","SaaS","SaasC","SaasN","SAdon","SAtot","SCBO","SdCH2","SddssS","SdO","SdsCH","SdsN","SdssC","SdssS","Se","Si","SIC0","SIC1","SIC2","SIC3","SIC4","SIC5","SM02_AEA.bo.","SM02_AEA.dm.","SM02_AEA.ed.","SM02_AEA.ri.","SM02_EA","SM02_EA.bo.","SM02_EA.dm.","SM02_EA.ed.","SM02_EA.ri.","SM03_AEA.bo.","SM03_AEA.dm.","SM03_AEA.ed.","SM03_AEA.ri.","SM03_EA","SM03_EA.bo.","SM03_EA.dm.","SM03_EA.ed.","SM03_EA.ri.","SM04_AEA.bo.","SM04_AEA.dm.","SM04_AEA.ed.","SM04_AEA.ri.","SM04_EA","SM04_EA.bo.","SM04_EA.dm.","SM04_EA.ed.","SM04_EA.ri.","SM05_AEA.bo.","SM05_AEA.dm.","SM05_AEA.ed.","SM05_AEA.ri.","SM05_EA","SM05_EA.bo.","SM05_EA.dm.","SM05_EA.ed.","SM05_EA.ri.","SM06_AEA.bo.","SM06_AEA.dm.","SM06_AEA.ed.","SM06_AEA.ri.","SM06_EA","SM06_EA.bo.","SM06_EA.dm.","SM06_EA.ed.","SM06_EA.ri.","SM07_AEA.bo.","SM07_AEA.dm.","SM07_AEA.ed.","SM07_AEA.ri.","SM07_EA","SM07_EA.bo.","SM07_EA.dm.","SM07_EA.ed.","SM07_EA.ri.","SM08_AEA.bo.","SM08_AEA.dm.","SM08_AEA.ed.","SM08_AEA.ri.","SM08_EA","SM08_EA.bo.","SM08_EA.dm.","SM08_EA.ed.","SM08_EA.ri.","SM09_AEA.bo.","SM09_AEA.dm.","SM09_AEA.ed.","SM09_AEA.ri.","SM09_EA","SM09_EA.bo.","SM09_EA.dm.","SM09_EA.ed.","SM09_EA.ri.","SM10_AEA.bo.","SM10_AEA.dm.","SM10_AEA.ed.","SM10_AEA.ri.","SM10_EA","SM10_EA.bo.","SM10_EA.dm.","SM10_EA.ed.","SM10_EA.ri.","SM11_AEA.bo.","SM11_AEA.dm.","SM11_AEA.ed.","SM11_AEA.ri.","SM11_EA","SM11_EA.bo.","SM11_EA.dm.","SM11_EA.ed.","SM11_EA.ri.","SM12_AEA.bo.","SM12_AEA.dm.","SM12_AEA.ed.","SM12_AEA.ri.","SM12_EA","SM12_EA.bo.","SM12_EA.dm.","SM12_EA.ed.","SM12_EA.ri.","SM13_AEA.bo.","SM13_AEA.dm.","SM13_AEA.ed.","SM13_AEA.ri.","SM13_EA","SM13_EA.bo.","SM13_EA.dm.","SM13_EA.ed.","SM13_EA.ri.","SM14_AEA.bo.","SM14_AEA.dm.","SM14_AEA.ed.","SM14_AEA.ri.","SM14_EA","SM14_EA.bo.","SM14_EA.dm.","SM14_EA.ed.","SM14_EA.ri.","SM15_AEA.bo.","SM15_AEA.dm.","SM15_AEA.ed.","SM15_AEA.ri.","SM15_EA","SM15_EA.bo.","SM15_EA.dm.","SM15_EA.ed.","SM15_EA.ri.","SMTI","SMTIV","SNar","Sp","SpAD_AEA.bo.","SpAD_AEA.dm.","SpAD_AEA.ed.","SpAD_AEA.ri.","SpAD_EA","SpAD_EA.bo.","SpAD_EA.dm.","SpAD_EA.ed.","SpAD_EA.ri.","SpDiam_AEA.bo.","SpDiam_AEA.dm.","SpDiam_AEA.ed.","SpDiam_AEA.ri.","SpDiam_EA","SpDiam_EA.bo.","SpDiam_EA.dm.","SpDiam_EA.ed.","SpDiam_EA.ri.","SPI","SpMAD_AEA.bo.","SpMAD_AEA.dm.","SpMAD_AEA.ed.","SpMAD_AEA.ri.","SpMAD_EA","SpMAD_EA.bo.","SpMAD_EA.dm.","SpMAD_EA.ed.","SpMAD_EA.ri.","SpMax1_Bh.e.","SpMax1_Bh.i.","SpMax1_Bh.m.","SpMax1_Bh.p.","SpMax1_Bh.s.","SpMax1_Bh.v.","SpMax2_Bh.e.","SpMax2_Bh.i.","SpMax2_Bh.m.","SpMax2_Bh.p.","SpMax2_Bh.s.","SpMax2_Bh.v.","SpMax3_Bh.e.","SpMax3_Bh.i.","SpMax3_Bh.m.","SpMax3_Bh.p.","SpMax3_Bh.s.","SpMax3_Bh.v.","SpMax4_Bh.e.","SpMax4_Bh.i.","SpMax4_Bh.m.","SpMax4_Bh.p.","SpMax4_Bh.s.","SpMax4_Bh.v.","SpMax5_Bh.e.","SpMax5_Bh.i.","SpMax5_Bh.m.","SpMax5_Bh.p.","SpMax5_Bh.s.","SpMax5_Bh.v.","SpMax6_Bh.e.","SpMax6_Bh.i.","SpMax6_Bh.m.","SpMax6_Bh.p.","SpMax6_Bh.s.","SpMax6_Bh.v.","SpMax7_Bh.e.","SpMax7_Bh.i.","SpMax7_Bh.m.","SpMax7_Bh.p.","SpMax7_Bh.s.","SpMax7_Bh.v.","SpMax8_Bh.e.","SpMax8_Bh.i.","SpMax8_Bh.m.","SpMax8_Bh.p.","SpMax8_Bh.s.","SpMax8_Bh.v.","SpMaxA_AEA.bo.","SpMaxA_AEA.dm.","SpMaxA_AEA.ed.","SpMaxA_AEA.ri.","SpMaxA_EA","SpMax_AEA.bo.","SpMaxA_EA.bo.","SpMax_AEA.dm.","SpMaxA_EA.dm.","SpMax_AEA.ed.","SpMaxA_EA.ed.","SpMax_AEA.ri.","SpMaxA_EA.ri.","SpMax_EA","SpMax_EA.bo.","SpMax_EA.dm.","SpMax_EA.ed.","SpMax_EA.ri.","SpMin1_Bh.e.","SpMin1_Bh.i.","SpMin1_Bh.m.","SpMin1_Bh.p.","SpMin1_Bh.s.","SpMin1_Bh.v.","SpMin2_Bh.e.","SpMin2_Bh.i.","SpMin2_Bh.m.","SpMin2_Bh.p.","SpMin2_Bh.s.","SpMin2_Bh.v.","SpMin3_Bh.e.","SpMin3_Bh.i.","SpMin3_Bh.m.","SpMin3_Bh.p.","SpMin3_Bh.s.","SpMin3_Bh.v.","SpMin4_Bh.e.","SpMin4_Bh.i.","SpMin4_Bh.m.","SpMin4_Bh.p.","SpMin4_Bh.s.","SpMin4_Bh.v.","SpMin5_Bh.e.","SpMin5_Bh.i.","SpMin5_Bh.m.","SpMin5_Bh.p.","SpMin5_Bh.s.","SpMin5_Bh.v.","SpMin6_Bh.e.","SpMin6_Bh.i.","SpMin6_Bh.m.","SpMin6_Bh.p.","SpMin6_Bh.s.","SpMin6_Bh.v.","SpMin7_Bh.e.","SpMin7_Bh.i.","SpMin7_Bh.m.","SpMin7_Bh.p.","SpMin7_Bh.s.","SpMin7_Bh.v.","SpMin8_Bh.e.","SpMin8_Bh.i.","SpMin8_Bh.m.","SpMin8_Bh.p.","SpMin8_Bh.s.","SpMin8_Bh.v.","SRW02","SRW03","SRW04","SRW05","SRW06","SRW07","SRW08","SRW09","SRW10","SsBr","SsCH3","SsCl","SsF","SsI","SsNH2","SsOH","SssCH2","SssNH","SssO","SssS","SsssCH","SsssN","SssssC","StCH","StN","StsC","Sv","TIC0","TIC1","TIC2","TIC3","TIC4","TIC5","TIE","TPC","TPSA.NO.","TPSA.Tot.","TRS","TWC","Uc","Ui","Uindex","UNIP","VAR","Vindex","VvdwMG","VvdwZAZ","Vx","Wap","X.","X0","X0A","X0Av","X0sol","X0v","X1","X1A","X1Av","X1Kup","X1Mad","X1MulPer","X1Per","X1sol","X1v","X2","X2A","X2Av","X2sol","X2v","X3","X3A","X3Av","X3sol","X3v","X4","X4A","X4Av","X4sol","X4v","X5","X5A","X5Av","X5sol","X5v","Xindex","XMOD","Xt","Xu","Yindex","ZM1","ZM1Kup","ZM1Mad","ZM1MulPer","ZM1Per","ZM1V","ZM2","ZM2Kup","ZM2Mad","ZM2MulPer","ZM2Per","ZM2V","pXC50"
{1 1.682,2 10.037,3 3.884,4 15.085,5 105.742,6 8.778,7 0.767,8 3.876,9 3.969,10 3.685,11 3.557,12 5.067,13 3.514,14 4.342,15 4.468,16 3.966,17 3.915,18 5.557,19 3.863,20 4.56,21 4.722,22 3.994,23 3.994,24 5.781,25 3.931,26 4.58,27 4.762,28 3.908,29 3.95,30 5.751,31 3.886,32 4.601,33 4.819,34 3.857,35 3.946,36 5.646,37 3.871,38 4.499,39 4.692,40 3.898,41 3.935,42 5.602,43 3.856,44 4.493,45 4.659,46 3.897,47 3.953,48 5.719,49 3.858,50 4.594,51 4.821,52 3.718,53 3.862,54 5.71,55 3.742,56 0.057,57 0.666,58 7.483,59 3.94,60 8.578,61 4.237,62 0.115,63 1.074,64 14.667,65 6.738,66 15.682,67 7.342,68 0.247,69 1.318,70 18.974,71 8.268,72 43.026,73 8.97,74 0.275,75 1.334,76 19.434,77 7.928,78 40.885,79 8.824,80 0.302,81 1.29,82 19.997,83 7.981,84 39.294,85 9.967,86 0.252,87 1.223,88 17.439,89 7.486,90 31.067,91 9.636,92 0.242,93 1.216,94 16.215,95 7.987,96 27.859,97 9.813,98 0.261,99 1.31,100 21.198,101 8.944,102 39.575,103 10.966,104 11,105 42,106 0.287,107 0.569,108 0.703,109 0.795,110 0.81,111 0.81,112 3.341,113 0.988,114 -4.92,115 -4.83,116 -4.53,118 48.8,123 1,136 10,137 3,138 2,139 2,140 1,146 1,152 1,161 10,164 4,166 1,168 2,169 9,173 8,177 5,179 5,183 8,187 4,189 6,193 1,195 1,197 2,200 14,202 1,203 1,208 18,210 1,211 3,214 1,217 12,220 4,226 4,229 4,238 1123,239 18.361,240 18.361,241 18.361,242 18.361,243 18.361,244 15.561,245 4.368,246 10.837,247 18.876,248 14.814,249 14.814,250 14.814,251 14.814,252 14.814,253 10.659,254 2.498,255 5.164,256 15.642,257 3.744,258 2.087,259 1.302,260 0.762,261 0.669,262 0.669,263 4.038,265 1,266 1,267 1,268 587,269 2.646,271 74.848,272 265.59,279 1.451,280 27.251,282 1,283 1,284 1,285 1,286 0.6,288 1,289 1,290 0.8,291 58,292 271,293 4.568,294 4.698,295 6.747,296 4.172,297 3.204,298 4.301,299 2.95,300 11.08,301 3.103,302 4.196,303 3.207,304 6.1,305 3.769,306 2.819,307 3.802,309 8.88,310 2.706,311 3.986,312 2.897,313 5.879,314 3.558,315 2.592,316 3.578,318 8.043,319 2.526,320 3.913,321 2.729,322 5.772,323 3.479,324 2.553,325 3.377,327 7.837,328 2.294,329 3.621,330 2.51,331 5.054,332 3.176,333 2.229,334 3.038,336 6.071,337 2.091,338 3.253,339 2.432,340 4.69,341 2.752,342 1.805,343 2.55,345 4.948,346 1.696,347 2.997,348 1.854,349 4.272,350 2.455,351 1.527,352 2.177,354 3.75,355 1.403,356 2.727,357 1.488,358 3.913,359 2.169,360 1.23,361 1.772,363 3.032,364 1.139,365 2.5,366 1.172,367 3.711,368 2,369 1,370 1.5,372 2.575,373 1,374 2.5,375 1,376 3.456,377 2,378 1,379 1.5,381 2.275,382 1,383 2.5,384 1,385 3.414,386 1.984,387 1,388 1.5,389 2.275,390 0.983,391 2.44,392 1,393 3.414,394 1.892,395 0.945,396 1.382,397 2.192,398 0.886,399 2.277,400 0.826,401 3.247,402 1.716,403 0.792,404 1.169,405 2.136,406 0.73,407 1.137,408 0.62,409 2.605,410 0.725,411 -0.188,412 -0.236,413 -0.422,414 -0.166,415 0.965,416 0.301,417 2.512,418 0.504,419 -0.453,420 -0.594,421 -1.096,422 -0.422,423 13.152,424 0.487,425 0.644,426 0.024,427 40.5,428 1.5,429 23.5,430 0.87,431 17,432 0.63,433 17.941,434 0.664,435 27.048,436 0.629,437 29.792,438 1.103,439 8.054,440 0.298,441 5.06,442 0.187,443 0.085,445 0.367,448 1,449 0.545,450 0.959,451 0.724,452 0.931,453 0.569,454 0.805,455 0.683,456 1.023,457 1.025,458 1.087,459 0.581,460 0.931,461 1.117,462 1.081,463 1.027,464 1.01,465 1.067,466 1.008,467 1.059,468 1.04,469 1.039,470 0.992,471 0.909,472 1.052,473 0.717,474 0.694,475 0.72,476 0.677,477 0.564,478 0.839,479 0.446,480 0.776,481 0.686,482 0.856,483 0.416,484 0.929,485 0.461,486 0.996,487 0.879,488 1.094,489 0.567,490 1.166,491 0.905,492 0.972,493 0.883,494 0.948,495 0.88,496 1.093,497 5,498 0.136,499 3.333,500 1.41,501 1.466,502 1.202,503 0.457,504 0.28,505 0.357,506 0.275,507 8549,508 27336,509 2.12,510 37.2,512 13,514 2,515 1,520 1.706,521 2,522 3.291,523 -0.346,525 1,528 72.336,529 1.682,530 3.339,531 4.125,532 4.665,533 4.758,534 4.758,535 2.75,536 4.236,537 4.72,538 3.463,539 1215.67,540 8.228,541 15393.9,543 1,545 1,546 233.329,547 1.352,548 4.694,549 0.167,550 0.008,551 0.079,552 0.034,553 0.038,554 0.032,555 0.012,556 0.008,557 0.012,558 0.013,559 0.402,560 0.17,561 1,562 0.704,563 132.502,564 0.018,565 -0.04,566 0.116,567 0.009,568 -0.084,569 0.039,570 -0.009,571 -0.086,572 -0.1,573 -0.115,574 0.026,575 -0.044,576 -0.151,577 -0.103,578 -0.141,579 -0.081,580 -0.09,581 -0.096,582 -0.175,583 -0.093,584 -0.202,585 -0.121,586 -0.112,587 -0.148,588 -0.066,589 0.122,590 0.04,591 0.143,592 -0.04,593 0.12,594 0.137,595 0.077,596 0.099,597 0.015,598 0.074,599 0.039,600 0.218,601 -0.104,602 -0.058,603 -0.179,604 0.091,605 -0.209,606 -0.055,607 -0.064,608 -0.005,609 -0.034,610 -0.053,611 -0.071,612 2.25,613 5.338,614 0.852,615 25.295,616 1.009,617 1.113,618 3.69,619 13.619,620 0.73,621 3.434,622 3.761,623 4.043,624 4.304,625 4.575,626 4.718,627 4.875,628 4.99,629 5.165,630 5.231,631 6.08,632 0.699,633 377.47,634 3.434,635 4.977,636 5.832,637 6.711,638 7.588,639 8.477,640 9.365,641 10.26,642 11.154,643 12.053,644 7,652 1,654 2,657 12,658 2,659 1,662 8,664 23,678 1,679 43,680 24,681 2,682 30,684 46,685 21,686 20,687 4,688 8,690 4,691 4,702 20,703 1,706 1,709 1,713 1,715 1,716 1,718 16,719 4,720 1,721 6,722 1,724 1,726 3,729 1,730 1,739 1,744 1,745 3,766 4,768 1,770 1,772 1,774 27,776 1,794 1,795 2.3,798 1,801 13.5,802 8.126,803 5.889,804 2.38,805 3.419,806 1.461,807 1.04,808 4.763,809 10.831,810 3.773,811 4.404,812 5.025,813 5.633,814 6.205,815 6.579,816 7.074,817 7.513,818 8.009,819 8.403,820 0.857,821 42,822 9.975,823 4.309,824 7.872,825 18.812,826 15.524,827 2.372,828 64.056,831 1,832 176.567,833 167.25,834 50.357,836 22.156,837 14.96,838 19.133,839 148.118,840 198.723,841 65.317,842 7.19,844 113.895,845 81.598,846 57.866,847 17.717,848 153.024,850 176.567,851 198.474,852 37.117,853 19.133,855 191.527,856 22.156,858 39.965,859 124.938,860 33.571,861 19.133,862 191.527,863 72.513,864 167.25,867 195.699,868 28.07,869 120.048,870 16.786,871 70.688,872 176.567,873 87.473,874 167.25,876 0.583,877 0.337,878 0.176,879 0.102,880 21,881 9,882 0.087,883 4,885 1,886 3.869,887 237.009,889 23,890 116.382,892 1,894 17.477,895 7.358,896 3.635,898 70.688,899 20.936,900 8.82,901 3.368,904 5.372,906 16.786,907 431.29,908 42.5,911 11.6,915 -1.028,916 43.407,917 47.87,918 0.31,919 0.615,920 0.76,921 0.86,922 0.877,923 0.877,924 4.989,925 1.23,926 5.814,927 3.75,928 4.443,929 5.091,930 2.913,931 6.624,932 4.347,933 6.21,934 1,935 7.372,936 3.032,937 4.007,938 4.796,940 7.529,941 3.829,942 7.516,943 1,944 9.031,945 2.575,946 6.033,947 7.299,948 5.027,949 10.63,950 5.859,951 8.859,952 1,953 10.75,954 2.275,955 6.431,956 7.837,958 12.386,959 6.185,960 10.233,961 0.945,962 12.509,963 2.275,964 7.917,965 9.773,966 7.185,967 15.002,968 7.672,969 11.63,970 0.792,971 14.294,972 2.192,973 8.694,974 10.716,976 17.109,977 8.392,978 13.044,979 -0.188,980 16.099,981 2.136,982 9.961,983 12.395,984 9.348,985 19.567,986 9.652,987 3.204,988 -0.453,989 17.918,990 -0.422,991 10.922,992 13.557,994 21.832,995 10.569,996 2.819,997 11.08,998 19.749,999 -1.096,1000 12.102,1001 15.108,1002 11.511,1003 24.24,1004 11.733,1005 2.592,1006 8.88,1007 21.589,1008 4.301,1009 13.154,1010 16.393,1012 26.576,1013 12.749,1014 2.553,1015 8.043,1016 23.437,1017 3.802,1018 14.303,1019 17.883,1020 13.675,1021 28.972,1022 13.876,1023 2.229,1024 7.837,1025 25.291,1026 3.578,1027 15.401,1028 19.238,1030 31.342,1031 14.942,1032 1.805,1033 6.071,1034 27.151,1035 3.377,1036 16.542,1037 20.7,1038 15.838,1039 33.738,1040 16.059,1041 1.527,1042 4.948,1043 29.017,1044 3.038,1045 17.665,1046 22.095,1048 36.124,1049 17.151,1050 8183,1051 14750,1052 20.285,1053 31.387,1054 46.121,1055 48.057,1056 46.538,1057 45.542,1058 45.393,1059 63.291,1060 5.9,1061 130.187,1062 43.112,1063 5.267,1064 6.698,1065 6.549,1066 5.207,1067 5.204,1068 7.301,1069 5.9,1070 18.235,1071 5.103,1072 12.043,1073 1.537,1074 1.602,1075 1.551,1076 1.518,1077 1.513,1078 2.11,1079 0.197,1080 4.34,1081 1.437,1082 4.093,1083 4.128,1084 4.34,1085 4.01,1086 8.201,1087 4.007,1088 3.902,1089 3.916,1090 4.036,1091 3.882,1092 7.398,1093 3.847,1094 3.833,1095 3.867,1096 3.785,1097 3.747,1098 5.032,1099 3.748,1100 3.636,1101 3.679,1102 3.708,1103 3.526,1104 4.839,1105 3.494,1106 3.381,1107 3.405,1108 3.463,1109 3.301,1110 4.641,1111 3.239,1112 2.895,1113 2.942,1114 2.853,1115 2.748,1116 4.503,1117 2.755,1118 2.854,1119 2.925,1120 2.687,1121 2.735,1122 3.792,1123 2.715,1124 2.854,1125 2.925,1126 2.687,1127 2.735,1128 3.716,1129 2.715,1130 0.152,1131 0.157,1132 0.225,1133 0.139,1134 0.107,1135 4.568,1136 0.143,1137 4.698,1138 0.098,1139 6.747,1140 0.369,1141 4.172,1142 0.103,1143 3.204,1144 4.301,1145 2.95,1146 11.08,1147 3.103,1148 1.93,1149 1.915,1150 2.012,1151 2.02,1152 1.154,1153 2.022,1154 1.925,1155 1.902,1156 1.992,1157 1.994,1158 1.117,1159 2.009,1160 1.814,1161 1.782,1162 1.921,1163 1.923,1164 0.975,1165 1.928,1166 1.429,1167 1.415,1168 1.552,1169 1.597,1170 0.766,1171 1.633,1172 1.267,1173 1.221,1174 1.409,1175 1.469,1176 0.462,1177 1.481,1178 1.149,1179 1.086,1180 1.259,1181 1.358,1182 0.336,1183 1.335,1184 0.886,1185 0.821,1186 1.181,1187 1.062,1188 0.218,1189 1.107,1190 0.886,1191 0.821,1192 1.181,1193 1.062,1194 0.218,1195 1.107,1196 4.111,1198 5.434,1199 2.398,1200 6.952,1201 4.727,1202 8.551,1203 6.862,1204 10.193,1206 1.649,1208 13.338,1222 30.037,1223 72.336,1224 143.581,1225 177.355,1226 200.574,1227 204.574,1228 204.574,1229 45.154,1230 7.412,1231 58.64,1232 77.85,1233 23,1234 12.577,1235 4.644,1236 3.755,1237 39.954,1238 97,1239 102,1240 0.203,1241 187.143,1242 316.15,1243 448.389,1244 14504,1245 2.3,1246 18.803,1247 0.696,1248 0.568,1249 18.221,1250 15.334,1251 13.114,1252 0.437,1253 0.329,1254 8.367,1255 12.075,1256 8.007,1257 6.652,1258 13.464,1259 9.876,1260 11.896,1261 0.283,1262 0.176,1263 12.132,1264 7.41,1265 10.047,1266 0.179,1267 0.093,1268 10.274,1269 5.186,1270 8.173,1271 0.112,1272 0.046,1273 8.451,1274 3.378,1275 6.78,1276 0.071,1277 0.024,1278 6.866,1279 2.284,1280 0.312,1281 88.885,1282 0.222,1283 25.663,1284 0.579,1285 144,1286 466.33,1287 180.557,1288 455.817,1289 618.46,1290 424,1291 170,1292 436.236,1293 204.305,1294 462.651,1295 666.94,1296 434,1297 5}
{0 CHEMBL101253,1 1.496,2 10.4,3 4.705,4 22.138,5 100.976,6 8.671,7 0.821,8 3.803,9 3.913,10 3.514,11 3.464,12 4.975,13 3.437,14 4.262,15 4.398,16 3.86,17 3.837,18 5.382,19 3.788,20 4.511,21 4.697,22 3.901,23 3.938,24 5.564,25 3.861,26 4.515,27 4.732,28 3.756,29 3.84,30 5.52,31 3.754,32 4.451,33 4.676,34 3.759,35 3.782,36 5.493,37 3.723,38 4.382,39 4.579,40 3.717,41 3.806,42 5.456,43 3.734,44 4.37,45 4.573,46 3.668,47 3.781,48 5.403,49 3.675,50 4.285,51 4.512,52 3.486,53 3.609,54 5.255,55 3.465,56 0.036,57 0.569,58 5.871,59 3.065,60 6.797,61 3.852,62 0.051,63 0.892,64 10.545,65 5.141,66 10.565,67 6.527,68 0.15,69 1.134,70 18.583,71 7.031,72 22.023,73 8.915,74 0.152,75 1.147,76 19.99,77 7.228,78 24.391,79 9.299,80 0.206,81 1.11,82 17.499,83 6.324,84 25.7,85 8.142,86 0.186,87 1.026,88 15.521,89 5.816,90 22.825,91 7.282,92 0.139,93 0.952,94 15.408,95 6.574,96 20.483,97 8.757,98 0.115,99 0.837,100 16.149,101 6.477,102 20.375,103 8.711,104 2,105 38,106 0.259,107 0.558,108 0.709,109 0.819,110 0.836,111 0.845,112 3.267,113 0.893,114 -5.43,115 -5.31,116 -4.96,118 50,120 1,136 10,137 3,138 2,139 2,140 1,141 1,157 1,161 11,164 5,166 1,168 3,169 14,173 7,175 1,177 4,179 10,183 10,187 2,189 8,193 8,197 3,200 13,202 1,203 3,207 1,208 13,210 1,211 3,216 2,217 11,220 3,226 8,229 1,231 1,235 8,238 911,239 17.361,240 17.361,241 17.361,242 17.361,243 17.361,244 14.555,245 18.364,246 10.512,247 17.698,248 13.875,249 13.875,250 13.875,251 13.875,252 13.875,253 9.836,254 28.435,255 5.06,256 14.462,257 3.826,258 2.106,259 1.23,260 0.6,261 0.5,262 0.45,263 3.972,264 1,266 1,267 1,268 572,269 2.345,272 266.179,276 101.355,279 1.856,280 13.492,282 1,283 0.75,284 1,285 1,286 0.6,288 1,289 1,290 0.76,291 52.333,292 260,293 4.596,294 3.258,295 6.707,296 4.135,297 3.153,298 4.543,299 0.68,300 10.902,301 3.096,302 4.03,303 2.961,304 5.8,305 3.622,306 2.659,307 3.625,308 0.4,309 8.069,310 2.567,311 3.92,312 2.823,313 5.423,314 3.508,315 2.531,316 3.467,318 7.166,319 2.46,320 3.64,321 2.533,322 5.255,323 3.188,324 2.251,325 3.075,327 6.536,328 2.109,329 3.404,330 2.184,331 4.905,332 2.943,333 2.007,334 2.76,336 5.669,337 1.851,338 3.274,339 1.907,340 4.658,341 2.783,342 1.831,343 2.591,345 4.855,346 1.673,347 2.887,348 1.516,349 3.792,350 2.382,351 1.44,352 2.053,354 3.102,355 1.355,356 2.777,357 1.288,358 3.598,359 2.267,360 1.281,361 1.913,363 2.852,364 1.26,365 2.5,366 1.076,367 3.562,368 2,369 1.013,370 1.5,372 2.575,373 1,374 2.5,375 1,376 3.414,377 1.994,378 1,379 1.5,381 2.275,382 0.99,383 2.465,384 1,385 3.247,386 1.984,387 1,388 1.449,389 2.136,390 0.983,391 1.729,392 0.741,393 3.101,394 1.405,395 0.449,396 0.552,397 1.119,398 0.42,399 1.313,400 0.426,401 2.764,402 0.935,403 0.02,404 0.025,405 0.048,406 0.016,407 1.014,408 -0.044,409 2.445,410 0.595,411 -0.34,412 -0.435,413 -0.814,414 -0.291,415 0.889,416 -0.429,417 2.304,418 0.391,419 -0.583,420 -0.833,421 -1.455,422 -0.561,423 12.314,424 0.493,425 0.465,426 0.019,427 38.25,428 1.53,429 22.5,430 0.9,431 15.75,432 0.63,433 15.877,434 0.635,435 24.286,436 0.607,437 25.535,438 1.021,439 7.668,440 0.307,441 4.625,442 0.185,443 0.058,445 0.284,449 0.647,450 1,451 0.571,452 0.8,453 0.649,454 0.771,455 0.742,456 1.154,457 0.711,458 0.975,459 0.732,460 0.954,461 1.087,462 1.111,463 1.012,464 1.045,465 1.037,466 1.035,467 1.127,468 1.198,469 0.96,470 1.059,471 1.031,472 1.042,473 1.034,474 1.003,475 0.653,476 0.784,477 0.874,478 0.81,479 1.183,480 0.863,481 0.903,482 0.846,483 1.108,484 0.925,485 0.58,486 0.996,487 0.789,488 1.07,489 0.729,490 1.098,491 0.655,492 1.086,493 0.906,494 1.158,495 0.779,496 1.175,497 4,498 0.029,499 2.222,500 1.188,501 1.24,502 0.542,503 0.405,504 0.302,505 0.2,506 0.117,507 7458,508 21561,509 2.179,510 37.5,512 10,514 2,515 1,516 2,520 1.681,521 2.113,522 3.346,523 -0.356,528 59.835,529 1.496,530 3.216,531 4.091,532 4.722,533 4.822,534 4.872,535 2.953,536 4.324,537 4.61,538 3.486,539 1045.76,540 7.983,541 12517.9,543 1,546 212.877,547 1.078,548 4.606,549 0.143,550 0.002,551 0.058,552 0.031,553 0.038,554 0.016,555 0.012,556 0.01,557 0.01,558 0.008,559 0.329,560 0.33,561 1,562 0.372,563 120.213,564 0.065,565 0.037,566 0.023,567 0.023,568 0.004,569 0.028,570 0.025,571 -0.141,572 -0.022,573 -0.113,574 -0.008,575 -0.107,576 -0.096,577 -0.099,578 -0.117,579 -0.119,580 -0.114,581 -0.118,582 -0.129,583 -0.181,584 -0.088,585 -0.115,586 -0.092,587 -0.086,588 -0.048,589 0.071,590 0.077,591 0.126,592 0.049,593 0.126,594 -0.21,595 0.2,596 -0.136,597 0.051,598 -0.184,599 -0.025,600 0.141,601 -0.049,602 0.001,603 -0.109,604 0.062,605 -0.117,606 0.138,607 -0.184,608 0.054,609 -0.132,610 0.083,611 -0.126,612 0.964,613 1.836,614 0.88,615 23.142,616 1.001,617 1.111,618 4.196,619 17.604,620 0.736,621 3.367,622 3.664,623 3.932,624 4.205,625 4.489,626 4.489,627 4.654,628 4.812,629 4.927,630 4.934,631 6.034,632 0.702,633 346.84,634 3.367,635 4.89,636 5.733,637 6.6,638 7.462,639 8.336,640 9.208,641 10.087,642 10.964,643 11.846,644 10,652 1,654 3,656 2,657 12,658 3,662 5,664 23,674 1,678 1,679 40,680 23,681 2,682 28,684 43,685 20,686 19,687 4,688 8,690 4,691 5,692 1,700 1,702 19,703 1,718 15,719 4,720 1,721 5,722 1,726 4,729 0.75,738 1,739 1,745 4,749 1,766 3,771 1,774 25,780 1,781 1,794 1,801 11.833,802 7.243,803 5.5,804 2.316,805 3.948,806 1.535,807 1.037,808 4.384,809 11.331,810 3.701,811 4.337,812 4.951,813 5.564,814 6.178,815 6.381,816 6.84,817 7.327,818 7.786,819 8.027,820 1,821 38,822 9.15,823 3.847,824 7.611,825 17.582,826 14.353,827 2.111,828 52.778,831 1,832 164.795,833 135.065,834 68.122,835 39.149,839 135.065,840 203.944,841 68.122,843 2.535,844 94.762,845 73.654,846 53.451,847 2.328,848 141.253,849 39.149,850 164.795,851 203.188,853 39.149,855 164.795,858 41.397,859 111.679,860 89.26,862 164.795,863 68.122,864 174.214,867 164.795,868 22.208,869 112.857,870 18.011,871 89.26,872 164.795,873 68.122,874 174.214,876 0.572,877 0.329,878 0.183,879 0.108,880 19,881 7,882 0.093,883 4,884 1,885 1.091,886 3.806,887 209.623,888 0.091,889 22,890 108.096,894 15.707,895 6.978,896 3.506,897 2.127,898 68.122,899 23.267,900 12.929,904 4.465,906 18.011,907 407.132,908 39.5,916 40.033,917 44.428,918 0.281,919 0.604,920 0.769,921 0.887,922 0.906,923 0.915,924 4.896,925 1.281,926 5.687,927 3.102,928 4.344,929 5.024,930 0.809,931 6.46,932 4.269,933 6.102,934 1.013,935 7.212,936 2.852,937 3.761,938 4.691,940 7.273,941 3.613,942 7.397,943 1,944 8.838,945 2.575,946 5.889,947 7.267,948 0.391,949 10.395,950 5.76,951 8.73,952 1,953 10.528,954 2.275,955 6.155,956 7.805,958 12.104,959 5.979,960 10.095,961 0.449,962 12.262,963 2.136,964 7.713,965 9.802,966 0.187,967 14.736,968 7.545,969 11.486,970 0.02,971 14.028,972 1.119,973 8.404,974 10.798,976 16.832,977 8.209,978 12.897,979 -0.34,980 15.817,981 0.048,982 9.711,983 12.527,984 0.089,985 19.301,986 9.512,987 3.153,988 -0.583,989 17.626,990 -0.814,991 10.624,992 13.773,994 21.565,995 10.407,996 2.659,997 10.902,998 19.45,999 -1.455,1000 11.821,1001 15.376,1002 0.042,1003 23.98,1004 11.595,1005 2.531,1006 8.069,1007 21.287,1008 4.543,1009 12.848,1010 16.755,1012 26.315,1013 12.606,1014 2.251,1015 7.166,1016 23.134,1017 3.625,1018 14.002,1019 18.301,1020 0.019,1021 28.712,1022 13.748,1023 2.007,1024 6.536,1025 24.99,1026 3.467,1027 15.085,1028 19.747,1030 31.076,1031 14.816,1032 1.831,1033 5.669,1034 26.854,1035 3.075,1036 16.224,1037 21.27,1038 0.009,1039 33.468,1040 15.942,1041 1.44,1042 4.855,1043 28.724,1044 2.76,1045 17.336,1046 22.75,1048 35.845,1049 17.039,1050 7000,1051 12027,1052 19.474,1053 29.449,1054 41.584,1055 41.973,1056 41.88,1057 41.449,1058 41.266,1059 58.109,1060 2.16,1061 114.607,1062 39.561,1063 5.378,1064 5.258,1065 6.509,1066 5.178,1067 5.153,1068 7.543,1069 1.36,1070 18.155,1071 5.096,1072 6.696,1073 1.485,1074 1.499,1075 1.496,1076 1.48,1077 1.474,1078 2.075,1079 0.077,1080 4.093,1081 1.413,1082 4.095,1083 4.126,1084 4.071,1085 4.02,1086 5.089,1087 4.025,1088 3.883,1089 3.913,1090 3.966,1091 3.826,1092 4.932,1093 3.818,1094 3.846,1095 3.882,1096 3.787,1097 3.757,1098 4.886,1099 3.758,1100 3.406,1101 3.47,1102 3.412,1103 3.24,1104 4.544,1105 3.253,1106 3.224,1107 3.285,1108 3.292,1109 3.077,1110 4.375,1111 3.085,1112 2.89,1113 2.946,1114 3.047,1115 2.785,1116 3.996,1117 2.771,1118 2.854,1119 2.925,1120 2.709,1121 2.735,1122 3.775,1123 2.715,1124 2.854,1125 2.925,1126 2.687,1127 2.735,1128 3.674,1129 2.715,1130 0.164,1131 0.116,1132 0.24,1133 0.148,1134 0.113,1135 4.596,1136 0.162,1137 3.258,1138 0.024,1139 6.707,1140 0.389,1141 4.135,1142 0.111,1143 3.153,1144 4.543,1145 0.68,1146 10.902,1147 3.096,1148 2.047,1149 2.023,1150 2.119,1151 2.141,1152 1.278,1153 2.135,1154 1.872,1155 1.847,1156 1.969,1157 1.966,1158 1.07,1159 1.974,1160 1.827,1161 1.793,1162 1.943,1163 1.929,1164 1.033,1165 1.939,1166 1.354,1167 1.298,1168 1.52,1169 1.553,1170 0.604,1171 1.544,1172 1.18,1173 1.127,1174 1.344,1175 1.376,1176 0.418,1177 1.378,1178 0.886,1179 0.821,1180 1.181,1181 1.062,1182 0.218,1183 1.107,1184 0.886,1185 0.821,1186 1.181,1187 1.062,1188 0.218,1189 1.107,1190 0.845,1191 0.803,1192 1.122,1193 1.044,1194 0.202,1195 1.066,1196 4.043,1198 5.342,1200 6.851,1202 8.455,1204 10.108,1207 5.947,1212 0.72,1213 3.323,1222 28.074,1223 59.835,1224 128.638,1225 163.658,1226 188.877,1227 192.877,1228 194.877,1229 28.938,1230 7.383,1231 50.7,1232 50.7,1233 24,1234 12.382,1235 4.585,1236 3.644,1237 35.852,1238 89,1239 97,1240 0.197,1241 176.352,1242 291.69,1243 422.06,1244 15672,1245 2.5,1246 17.062,1247 0.682,1248 0.564,1249 17.562,1250 14.111,1251 12.293,1252 0.439,1253 0.298,1254 7.92,1255 11.714,1256 7.714,1257 6.399,1258 12.582,1259 8.33,1260 10.811,1261 0.285,1262 0.162,1263 11.219,1264 6.141,1265 9.126,1266 0.183,1267 0.085,1268 9.415,1269 4.244,1270 7.644,1271 0.116,1272 0.044,1273 7.811,1274 2.872,1275 6.731,1276 0.076,1277 0.023,1278 6.967,1279 2.061,1280 0.306,1281 78.749,1282 0.227,1283 24.261,1284 0.551,1285 132,1286 355.472,1287 154.458,1288 388.218,1289 533.19,1290 364,1291 154,1292 381.691,1293 171.363,1294 400.645,1295 578.74,1296 378,1297 5}
{0 CHEMBL103667,1 1.476,2 15.333,3 5.907,4 34.897,5 153.448,6 6.944,7 0.512,8 4.416,9 4.543,10 3.928,11 3.926,12 5.446,13 3.899,14 4.975,15 5.161,16 4.296,17 4.324,18 5.966,19 4.279,20 5.224,21 5.428,22 4.344,23 4.489,24 6.191,25 4.408,26 5.354,27 5.615,28 4.314,29 4.494,30 6.25,31 4.385,32 5.289,33 5.537,34 4.298,35 4.402,36 6.266,37 4.322,38 5.161,39 5.377,40 4.272,41 4.38,42 6.186,43 4.313,44 5.213,45 5.426,46 4.329,47 4.471,48 6.285,49 4.385,50 5.328,51 5.566,52 4.237,53 4.518,54 6.285,55 4.402,56 0.071,57 1.114,58 17.099,59 7.024,60 11.85,61 9.626,62 0.407,63 1.786,64 32.2,65 11.499,66 38.337,67 16.193,68 0.522,69 2.215,70 41.95,71 14.363,72 49.844,73 20.619,74 0.467,75 2.375,76 49.157,77 16.419,78 58.81,79 24.524,80 0.653,81 2.184,82 46.823,83 14.355,84 69.806,85 21.162,86 0.568,87 2.014,88 40.251,89 12.847,90 62.036,91 18.535,92 0.461,93 2.159,94 41.436,95 14.686,96 73.226,97 21.166,98 0.588,99 2.318,100 47.773,101 16.237,102 80.539,103 23.357,104 27,105 61,106 0.226,107 0.537,108 0.702,109 0.788,110 0.812,111 0.816,112 3.693,113 0.941,114 -5.07,115 -4.97,116 -4.65,118 40.8,119 4,122 1,124 6,136 11,137 3,138 3,140 1,147 1,150 1,157 1,161 15,164 7,166 3,167 1,168 3,169 18,172 2,173 11,175 1,177 3,179 14,182 1,183 11,185 1,187 8,189 6,192 1,193 8,195 2,197 9,200 6,202 1,203 11,207 6,208 11,210 1,211 13,214 1,216 7,217 11,220 9,222 1,224 1,226 12,228 1,229 8,233 1,235 23,238 3163,239 26.126,240 26.126,241 26.126,242 26.126,243 26.126,244 23.423,245 36.989,246 15.44,247 26.724,248 21.281,249 21.281,250 21.281,251 21.281,252 21.281,253 17.125,254 47.755,255 7.396,256 22.217,257 4.772,258 2.742,259 1.666,260 1.109,261 0.948,262 0.922,263 4.396,267 1,268 1298,269 4.359,271 114.727,272 481.223,276 186.324,279 2.479,280 29.015,283 0.75,284 0.83,285 0.83,286 0.9,287 0.5,288 0.83,289 1,290 0.81,291 83.5,292 598,293 4.594,294 3.613,295 7.139,296 4.35,297 3.366,298 4.54,299 1.656,300 11.836,301 3.316,302 4.578,303 3.536,304 6.702,305 4.127,306 3.145,307 4.211,308 0.86,309 10.879,310 3.09,311 4.199,312 3.227,313 6.493,314 3.921,315 2.963,316 3.597,317 0.86,318 10.131,319 2.833,320 3.865,321 3.067,322 5.74,323 3.496,324 2.54,325 3.226,326 0.8,327 7.766,328 2.449,329 3.751,330 2.893,331 5.388,332 3.436,333 2.505,334 3.142,335 0.247,336 6.968,337 2.325,338 3.541,339 2.607,340 5.339,341 3.358,342 2.387,343 2.819,345 6.89,346 2.29,347 3.493,348 2.558,349 5.051,350 3.117,351 2.149,352 2.652,354 6.04,355 2.068,356 3.333,357 2.177,358 4.897,359 2.913,360 1.937,361 2.516,363 5.529,364 1.887,365 3.228,366 2.106,367 4.668,368 2.794,369 1.8,370 2.453,372 4.897,373 1.783,374 2.784,375 2.025,376 4.433,377 2.444,378 1.557,379 1.922,381 3.995,382 1.373,383 2.669,384 1.571,385 3.952,386 2.293,387 1.327,388 1.71,389 3.269,390 1.286,391 2.6,392 1.484,393 3.81,394 2.267,395 1.289,396 1.609,397 2.868,398 1.251,399 2.5,400 1.287,401 3.647,402 2.093,403 1.173,404 1.5,405 2.824,406 1.07,407 2.471,408 1.256,409 3.596,410 2,411 1,412 1.461,413 2.727,414 1,415 2.387,416 1.078,417 3.414,418 1.952,419 1,420 1.337,421 2.275,422 0.946,423 18.5,424 0.474,425 1.069,426 0.027,427 48.25,428 1.237,429 23,430 0.59,431 25.25,432 0.647,433 39.35,434 1.009,435 42.7,436 0.562,437 40.967,438 1.05,439 9.39,440 0.241,441 9.385,442 0.241,443 0.126,444 0.027,445 0.286,449 0.823,450 1.355,451 0.848,452 1.168,453 0.701,454 1.032,455 1.066,456 1.074,457 0.877,458 0.93,459 0.65,460 0.888,461 1.194,462 1.173,463 1.133,464 1.094,465 0.997,466 1.101,467 0.848,468 1.07,469 0.894,470 0.991,471 0.789,472 0.946,473 1.337,474 0.979,475 0.964,476 0.871,477 1.263,478 0.863,479 1.433,480 1.037,481 1.075,482 0.924,483 1.478,484 0.939,485 0.944,486 1.197,487 1.016,488 1.117,489 1.482,490 1.078,491 1.284,492 0.945,493 1.167,494 0.976,495 2.046,496 1.041,497 8.5,498 0.325,499 4.444,500 2.438,501 2.225,502 1.507,503 1.122,504 0.646,505 0.637,506 0.365,507 26024,508 58050,509 2.088,510 48.7,511 12,512 23,515 2,520 1.794,521 1.958,522 3.818,523 0.111,528 112.148,529 1.476,530 3.506,531 4.582,532 5.139,533 5.3,534 5.326,535 3.329,536 4.785,537 5.253,538 4.051,539 3002.02,540 9.269,541 52076,546 474.842,547 1.496,548 5.213,549 0.198,550 0.007,551 0.073,552 0.04,553 0.038,554 0.026,555 0.02,556 0.011,557 0.012,558 0.007,559 0.431,560 0.17,561 0.75,562 0.651,563 220.011,564 0.029,565 -0.126,566 0.071,567 -0.067,568 -0.056,569 -0.005,570 0.06,571 0.049,572 0.102,573 0.09,574 0.119,575 0.094,576 -0.074,577 -0.076,578 -0.149,579 -0.098,580 -0.071,581 -0.131,582 0.045,583 -0.067,584 0.091,585 -0.024,586 0.071,587 0.032,588 -0.034,589 0.03,590 0.066,591 0.065,592 0.065,593 0.078,594 -0.118,595 0.032,596 -0.06,597 0.044,598 -0.046,599 0.01,600 0.049,601 -0.131,602 -0.043,603 -0.107,604 0.091,605 -0.089,606 -0.195,607 0.079,608 -0.175,609 0.005,610 -0.305,611 -0.068,612 2.005,613 6.244,614 0.692,615 51.546,616 0.995,617 1.128,618 3.837,619 14.725,620 0.652,621 3.784,622 4.127,623 4.369,624 4.635,625 4.89,626 4.977,627 5.075,628 5.165,629 5.313,630 5.366,631 8.816,632 0.614,633 527.73,634 3.784,635 5.342,636 6.188,637 7.074,638 7.942,639 8.832,640 9.711,641 10.604,642 11.488,643 12.383,644 6.6,647 1,651 2,652 1,654 1,656 2,657 11,658 1,662 6,663 1,664 22,677 1,679 76,680 23,681 3,682 43,684 80,685 31,686 19,687 6,688 10,690 5,691 6,693 1,694 4,695 1,702 20,703 11,706 1,709 1,712 1,718 37,719 7,720 2,721 8,726 5,729 0.8,730 3,737 1,744 1,745 4,749 1,763 1,765 1,766 4,770 4,774 39,780 6,781 2,782 2,785 1,786 1,795 3.9,798 1,799 1,800 1,801 19.917,802 14.767,803 8.389,804 4.573,805 4.045,806 1.479,807 0.975,808 8.336,809 12.497,810 4.025,811 4.627,812 5.201,813 5.808,814 6.349,815 6.657,816 7.013,817 7.346,818 7.713,819 7.802,820 1,821 61,822 14.458,823 6.092,824 7.583,825 28.075,826 23.074,827 2.083,828 81.25,832 411.989,833 188.083,834 57.585,836 47.145,839 188.083,840 459.133,841 57.585,842 35.301,843 56.116,844 104.239,845 52.808,846 40.074,847 4.276,848 411.989,850 411.989,851 245.668,852 47.145,855 411.989,856 36.145,857 11,858 101.402,859 127.603,860 16.663,862 411.989,863 104.73,864 188.083,867 411.989,868 48.543,869 144.44,870 36.022,871 63.808,872 411.989,873 104.73,874 188.083,876 0.586,877 0.329,878 0.176,879 0.103,880 29,881 13,882 0.1,883 8,884 1,885 1.074,886 4.894,887 385.073,888 0.074,889 27,890 193.376,894 27.35,895 11.887,896 6.683,897 1.871,898 102.954,899 21.784,900 4.812,904 5.055,905 1.781,906 36.022,907 704.801,908 55,911 13.244,914 -0.338,916 75.629,917 85.763,918 0.236,919 0.561,920 0.733,921 0.822,922 0.848,923 0.853,924 5.281,925 1.937,926 6.196,927 6.04,928 4.812,929 5.316,930 2.274,931 7.029,932 4.737,933 6.494,934 1.8,935 7.772,936 5.529,937 4.511,938 5.182,939 1.305,940 8.116,941 4.43,942 7.813,943 1.557,944 9.458,945 4.897,946 6.46,947 7.526,948 2.627,949 11.162,950 6.326,951 9.168,952 1.327,953 11.212,954 3.995,955 6.976,956 8.228,957 2.354,958 13.082,959 6.845,960 10.558,961 1.289,962 13.012,963 3.269,964 8.428,965 10.072,966 3.315,967 15.702,968 8.256,969 11.972,970 1.173,971 14.844,972 2.868,973 9.309,974 11.176,975 3.414,976 17.936,977 9.137,978 13.406,979 1,980 16.699,981 2.824,982 10.577,983 12.813,984 4.177,985 20.428,986 10.378,987 3.366,988 1,989 18.572,990 2.727,991 11.623,992 14.116,993 4.466,994 22.783,995 11.419,996 3.145,997 11.836,998 20.459,999 2.275,1000 12.826,1001 15.665,1002 5.117,1003 25.235,1004 12.603,1005 2.963,1006 10.879,1007 22.356,1008 4.54,1009 13.946,1010 17.066,1011 5.504,1012 27.64,1013 13.716,1014 2.54,1015 10.131,1016 24.263,1017 4.211,1018 15.13,1019 18.579,1020 6.093,1021 30.083,1022 14.884,1023 2.505,1024 7.766,1025 26.176,1026 3.597,1027 16.285,1028 20.028,1029 6.531,1030 32.509,1031 16.029,1032 2.387,1033 6.968,1034 28.094,1035 3.226,1036 17.466,1037 21.529,1038 7.084,1039 34.951,1040 17.197,1041 2.149,1042 6.89,1043 30.018,1044 3.142,1045 18.638,1046 23.001,1047 7.551,1048 37.389,1049 18.358,1050 24443,1051 36729,1052 28.72,1053 49.574,1054 65.312,1055 66.112,1056 65.558,1057 64.61,1058 64.651,1059 82.321,1060 8.846,1061 187.972,1062 62.139,1063 5.594,1064 5.613,1065 6.941,1066 5.453,1067 5.366,1068 7.54,1069 2.912,1070 19.07,1071 5.316,1072 19.333,1073 1.519,1074 1.537,1075 1.525,1076 1.503,1077 1.504,1078 1.914,1079 0.206,1080 4.371,1081 1.445,1082 4.112,1083 4.142,1084 4.073,1085 4.047,1086 7.431,1087 4.048,1088 4.037,1089 4.073,1090 4,1091 3.922,1092 4.985,1093 3.933,1094 3.82,1095 3.869,1096 3.743,1097 3.737,1098 4.932,1099 3.734,1100 3.807,1101 3.859,1102 3.685,1103 3.586,1104 4.647,1105 3.601,1106 3.593,1107 3.656,1108 3.496,1109 3.417,1110 4.629,1111 3.424,1112 3.5,1113 3.546,1114 3.392,1115 3.374,1116 4.501,1117 3.374,1118 3.427,1119 3.478,1120 3.321,1121 3.194,1122 4.288,1123 3.213,1124 3.289,1125 3.343,1126 3.166,1127 3.059,1128 4.219,1129 3.081,1130 0.107,1131 0.084,1132 0.166,1133 0.101,1134 0.078,1135 4.594,1136 0.106,1137 3.613,1138 0.039,1139 7.139,1140 0.275,1141 4.35,1142 0.077,1143 3.366,1144 4.54,1145 1.656,1146 11.836,1147 3.316,1148 2.066,1149 2.051,1150 2.137,1151 2.136,1152 1.294,1153 2.136,1154 1.925,1155 1.894,1156 2.04,1157 2.032,1158 1.249,1159 2.033,1160 1.784,1161 1.737,1162 1.992,1163 1.982,1164 1.211,1165 1.977,1166 1.735,1167 1.673,1168 1.955,1169 1.919,1170 1.145,1171 1.946,1172 1.523,1173 1.477,1174 1.687,1175 1.765,1176 0.925,1177 1.73,1178 1.46,1179 1.413,1180 1.645,1181 1.656,1182 0.825,1183 1.662,1184 1.353,1185 1.295,1186 1.598,1187 1.576,1188 0.72,1189 1.584,1190 1.222,1191 1.154,1192 1.513,1193 1.464,1194 0.689,1195 1.472,1196 4.466,1198 5.802,1199 2.398,1200 7.323,1201 4.727,1202 8.929,1203 6.862,1204 10.581,1206 8.366,1212 4.856,1213 6.053,1214 11.589,1217 2.346,1218 -0.17,1222 46.68,1223 112.148,1224 266.431,1225 348.22,1226 390.539,1227 402.803,1228 404.803,1229 68.386,1230 8.452,1231 80.65,1232 80.65,1233 29,1234 12.911,1235 4.585,1236 3.7,1237 61.501,1238 207,1239 229,1240 0.142,1241 284.925,1242 491.79,1243 686.977,1244 65902,1246 27.407,1247 0.703,1248 0.594,1249 27.407,1250 23.16,1251 18.775,1252 0.437,1253 0.314,1254 13.293,1255 18.05,1256 12.824,1257 10.687,1258 18.775,1259 13.481,1260 17.699,1261 0.29,1262 0.18,1263 17.699,1264 10.951,1265 13.957,1266 0.179,1267 0.088,1268 13.957,1269 6.899,1270 11.568,1271 0.113,1272 0.045,1273 11.568,1274 4.605,1275 9.739,1276 0.074,1277 0.024,1278 9.739,1279 3.204,1280 0.228,1281 117.51,1282 0.187,1283 35.501,1284 0.379,1285 208,1286 552.808,1287 227.848,1288 532.378,1289 740.08,1290 502,1291 243,1292 556.217,1293 263.768,1294 563.342,1295 824.66,1296 529,1297 5}
{0 CHEMBL105442,1 1.983,2 9.88,3 4.908,4 24.087,5 99.228,6 12.274,7 0.444,8 3.792,9 3.884,10 3.775,11 3.435,12 5.022,13 3.394,14 4.273,15 4.4,16 4.197,17 3.786,18 5.534,19 3.708,20 4.519,21 4.69,22 4.354,23 3.863,24 6.008,25 3.773,26 4.473,27 4.655,28 4.497,29 3.765,30 5.852,31 3.678,32 4.37,33 4.525,34 4.097,35 3.624,36 5.907,37 3.633,38 4.392,39 4.524,40 4.225,41 3.733,42 6.046,43 3.707,44 4.409,45 4.554,46 4.266,47 3.714,48 5.974,49 3.646,50 4.31,51 4.504,52 4.362,53 3.646,54 5.56,55 3.482,56 0.19,57 0.668,58 0.871,59 3.405,60 18.075,61 3.508,62 0.379,63 1.031,64 4.693,65 6.413,66 38.569,67 6.332,68 0.857,69 1.404,70 33.685,71 9.985,72 101.366,73 8.732,74 0.789,75 1.191,76 46.152,77 9.47,78 78.619,79 7.529,80 0.793,81 1.123,82 12.827,83 6.22,84 106.151,85 5.258,86 0.863,87 1.152,88 19.438,89 7.893,90 106.636,91 6.804,92 0.91,93 1.123,94 11.633,95 7.74,96 109.321,97 6.234,98 0.65,99 1.068,100 22.075,101 9.053,102 79.569,103 7.243,104 26,105 38,106 0.355,107 0.704,108 0.829,109 0.891,110 0.891,111 0.891,112 3.267,113 1.004,114 -5.59,115 -5.46,116 -5.09,118 43.6,120 2,121 1,124 1,136 5,137 1,138 6,149 1,159 1,161 6,164 2,166 1,168 3,169 5,172 1,173 4,177 6,179 3,183 2,185 1,186 1,187 4,189 3,193 2,195 1,197 1,200 5,203 3,207 1,208 7,211 4,216 4,217 7,220 3,224 2,226 3,229 1,233 1,235 2,238 1031,239 16.499,240 16.499,241 16.499,242 16.499,243 16.499,244 14.722,245 16.843,246 9.551,247 17.054,248 13.256,249 13.256,250 13.256,251 13.256,252 13.256,253 10.619,254 19.271,255 4.509,256 14.337,257 3.302,258 1.356,259 0.657,260 0.308,261 0.308,262 0.308,263 3.932,264 1,266 1,267 1,268 524,269 3.317,270 51.118,272 170.887,279 1.485,280 42.023,283 0.75,284 0.83,285 1,286 0.8,287 0.5,288 1,289 1,290 0.84,291 55.733,292 247,293 4.52,294 4.041,295 6.732,296 4.133,297 3.167,298 4.211,299 2.095,300 10.87,301 3.063,302 4.208,303 3.49,304 6.052,305 3.738,306 2.821,307 3.862,308 0.776,309 8.685,310 2.636,311 3.839,312 3.218,313 5.862,314 3.652,315 2.662,316 3.193,317 0.4,318 7.781,319 2.547,320 3.654,321 3.189,322 5.492,323 3.461,324 2.496,325 2.787,327 7.387,328 2.371,329 3.475,330 2.638,331 5.038,332 2.985,333 2.138,334 2.658,336 5.926,337 1.771,338 3.169,339 2.623,340 4.887,341 2.738,342 1.829,343 2.366,345 5.201,346 1.487,347 2.872,348 2.437,349 4.209,350 2.474,351 1.519,352 1.964,354 3.779,355 1.423,356 2.82,357 1.985,358 4.146,359 2.33,360 1.414,361 1.946,363 3.641,364 1.226,365 2.241,366 1.85,367 3.475,368 2.022,369 1.065,370 1.187,372 2.393,373 0.999,374 1.75,375 1.153,376 3.246,377 1.412,378 0.548,379 0.629,381 1.357,382 0.415,383 1.375,384 1.013,385 2.793,386 1.135,387 0.174,388 0.193,389 0.394,390 0.158,391 1.225,392 0.664,393 2.687,394 0.941,395 0.072,396 0.082,397 0.165,398 0.047,399 1.171,400 0.378,401 2.417,402 0.721,403 -0.199,404 -0.25,405 -0.481,406 -0.117,407 0.797,408 0.195,409 2.359,410 0.255,411 -0.514,412 -0.621,413 -1.242,414 -0.207,415 0.427,416 -0.151,417 2.114,418 0.223,419 -0.742,420 -0.817,421 -1.619,422 -0.623,423 12.895,424 0.516,425 0.72,426 0.029,427 29.75,428 1.19,429 14,430 0.56,431 15.75,432 0.63,433 22.959,434 0.918,435 26.705,436 0.685,437 21.203,438 0.848,439 5.645,440 0.226,441 6.307,442 0.252,443 0.253,445 0.349,448 2,449 0.58,450 0.846,451 0.467,452 0.56,453 0.516,454 0.716,455 0.758,456 1.038,457 0.575,458 0.692,459 0.609,460 0.911,461 0.816,462 0.989,463 0.951,464 0.953,465 0.752,466 0.933,467 1.243,468 0.96,469 0.713,470 0.725,471 1.133,472 0.79,473 1.27,474 0.935,475 0.351,476 0.491,477 1.313,478 0.702,479 1.042,480 1.118,481 0.598,482 0.728,483 1.132,484 0.838,485 1.249,486 1.123,487 0.595,488 0.71,489 1.459,490 0.976,491 1.157,492 1.085,493 1.055,494 1.051,495 1.182,496 1.055,497 5.5,498 0.09,499 3.611,500 1.91,501 1.623,502 0.976,503 0.691,504 0.441,505 0.261,506 0.148,507 6836,508 26239,509 2.015,510 35.9,511 4,512 7,515 2,517 1,520 1.685,521 1.852,522 3.247,523 0.352,527 1,528 77.341,529 1.983,530 3.93,531 4.629,532 4.978,533 4.978,534 4.978,535 2.713,536 4.484,537 4.61,538 3.422,539 1026.7,540 8.004,541 12430.5,546 206.131,547 1.516,548 4.555,549 0.204,550 0.008,551 0.103,552 0.05,553 0.048,554 0.029,555 0.019,556 0.014,557 0.011,558 0.009,559 0.495,560 0.33,561 0.75,562 0.65,563 119.967,564 0.003,565 0.042,566 -0.002,567 0.03,568 -0.014,569 0.043,570 -0.034,571 -0.177,572 0.009,573 -0.003,574 0.014,575 -0.066,576 0.148,577 -0.026,578 -0.043,579 -0.031,580 0.167,581 0.005,582 -0.151,583 0.005,584 0.059,585 0.106,586 -0.11,587 0.12,588 -0.1,589 0.097,590 0.009,591 0.06,592 -0.058,593 0.08,594 0.169,595 -0.015,596 -0.016,597 -0.013,598 0.153,599 0.01,600 -0.017,601 -0.032,602 -0.005,603 0.008,604 -0.085,605 -0.127,606 -0.131,607 -0.081,608 0.035,609 0.011,610 -0.157,611 -0.033,612 2.829,613 6.277,614 0.6,615 22.128,616 1.034,617 1.13,618 4.357,619 18.986,620 0.754,621 3.332,622 3.664,623 3.85,624 4.025,625 4.234,626 4.29,627 4.277,628 4.304,629 4.369,630 4.29,631 5.899,632 0.708,633 478.68,634 3.332,635 4.875,636 5.72,637 6.592,638 7.454,639 8.329,640 9.198,641 10.075,642 10.947,643 11.826,644 5.1,651 1,652 1,657 5,662 7,664 12,674 1,678 4,679 39,680 13,681 2,682 27,684 41,685 17,686 12,687 7,688 5,689 1,690 3,691 3,692 1,697 2,698 1,700 2,702 13,703 4,704 1,706 1,709 1,712 1,716 2,718 14,719 6,720 2,721 8,722 2,723 1,726 2,729 1,730 2,743 1,745 2,761 1,766 3,771 1,772 2,773 1,774 25,780 3,781 2,782 1,784 1,794 4,795 5.1,798 1,799 1,801 13.5,802 6.905,803 5.472,804 2.282,805 2.424,806 1.356,807 0.995,808 6.015,809 9.226,810 3.555,811 4.143,812 4.635,813 5.119,814 5.636,815 5.809,816 5.966,817 6.235,818 6.586,819 6.773,820 0.857,821 38,822 9.366,823 4.171,824 8.176,825 17.112,826 14.073,827 2.676,828 66.898,832 141.253,833 150.631,834 38.636,835 39.149,836 36.364,837 29.92,838 56.782,839 93.849,840 216.766,841 68.556,843 30.287,844 47.381,845 41.068,846 50.112,847 29.92,848 198.035,849 39.149,850 141.253,851 132.485,852 66.284,853 39.149,854 56.782,855 159.402,856 36.916,857 11.219,858 48.297,859 84.187,860 39.149,861 56.782,862 171.173,863 75,864 132.997,865 56.782,867 141.253,868 46.467,869 104.163,870 38.636,871 105.433,872 141.253,873 104.92,874 132.997,875 56.782,876 0.59,877 0.327,878 0.16,879 0.086,880 18,881 9,882 0.146,883 6,885 1,886 3.689,887 201.789,889 15,890 114.096,894 18.668,895 8.055,896 4.954,898 104.92,899 7.132,904 -1.033,906 38.636,907 435.952,908 34,911 12.261,914 -0.663,916 40.345,917 44.081,918 0.375,919 0.744,920 0.876,921 0.942,922 0.942,923 0.942,924 4.804,925 1.414,926 5.72,927 3.779,928 4.344,929 4.828,930 2.425,931 6.526,932 4.201,933 6.027,934 1.065,935 7.292,936 3.641,937 4.111,938 4.783,940 7.493,941 3.865,942 7.346,943 0.548,944 8.964,945 2.393,946 5.964,947 7.004,948 3.697,949 10.527,950 5.74,951 8.695,952 0.174,953 10.69,954 1.357,955 6.463,956 7.7,958 12.261,959 6.162,960 10.072,961 0.072,962 12.45,963 0.394,964 7.855,965 9.477,966 5.14,967 14.869,968 7.563,969 11.468,970 -0.199,971 14.234,972 0.165,973 8.679,974 10.52,976 16.941,977 8.328,978 12.88,979 -0.514,980 16.036,981 -0.481,982 9.898,983 12.113,984 6.612,985 19.4,986 9.54,987 3.167,988 -0.742,989 17.852,990 -1.242,991 10.876,992 13.332,994 21.633,995 10.471,996 2.821,997 10.87,998 19.679,999 -1.619,1000 12.028,1001 14.839,1002 8.09,1003 24.038,1004 11.606,1005 2.662,1006 8.685,1007 21.516,1008 4.211,1009 13.08,1010 16.152,1012 26.348,1013 12.619,1014 2.496,1015 7.781,1016 23.362,1017 3.862,1018 14.21,1019 17.615,1020 9.57,1021 28.735,1022 13.726,1023 2.138,1024 7.387,1025 25.215,1026 3.193,1027 15.3,1028 18.978,1030 31.082,1031 14.782,1032 1.829,1033 5.926,1034 27.074,1035 2.787,1036 16.425,1037 20.421,1038 11.049,1039 33.464,1040 15.882,1041 1.519,1042 5.201,1043 28.938,1044 2.658,1045 17.536,1046 21.811,1048 35.83,1049 16.961,1050 6676,1051 13255,1052 17.512,1053 29.404,1054 40.142,1055 44.575,1056 41.981,1057 40.177,1058 39.811,1059 50.157,1060 6.542,1061 115.158,1062 36.289,1063 5.489,1064 6.041,1065 6.296,1066 5.183,1067 5.167,1068 7.211,1069 4.191,1070 18.175,1071 5.063,1072 13.855,1073 1.487,1074 1.651,1075 1.555,1076 1.488,1077 1.474,1078 1.858,1079 0.242,1080 4.265,1081 1.344,1082 4.002,1083 4.027,1084 10.695,1085 4.034,1086 8.239,1087 3.925,1088 3.897,1089 3.945,1090 4.017,1091 3.851,1092 8.161,1093 3.8,1094 3.841,1095 3.858,1096 3.88,1097 3.788,1098 7.429,1099 3.775,1100 3.395,1101 3.426,1102 3.768,1103 3.381,1104 4.937,1105 3.15,1106 3.093,1107 3.156,1108 3.361,1109 3.089,1110 4.681,1111 2.986,1112 2.991,1113 3.04,1114 3.249,1115 2.796,1116 4.487,1117 2.77,1118 2.879,1119 2.922,1120 2.945,1121 2.768,1122 4.32,1123 2.735,1124 2.794,1125 2.844,1126 2.872,1127 2.716,1128 4.161,1129 2.678,1130 0.167,1131 0.15,1132 0.249,1133 0.153,1134 0.117,1135 4.52,1136 0.156,1137 4.041,1138 0.078,1139 6.732,1140 0.403,1141 4.133,1142 0.113,1143 3.167,1144 4.211,1145 2.095,1146 10.87,1147 3.063,1148 1.93,1149 1.912,1150 1.975,1151 2.036,1152 1.118,1153 2.022,1154 1.823,1155 1.809,1156 1.866,1157 1.883,1158 1.031,1159 1.896,1160 1.429,1161 1.379,1162 1.676,1163 1.699,1164 1.015,1165 1.68,1166 1.153,1167 1.123,1168 1.513,1169 1.425,1170 0.825,1171 1.429,1172 1.147,1173 1.064,1174 1.26,1175 1.376,1176 0.284,1177 1.385,1178 1.028,1179 0.979,1180 1.163,1181 1.232,1182 0.252,1183 1.234,1184 0.868,1185 0.824,1186 1.093,1187 1.016,1188 0.17,1189 1.059,1190 0.735,1191 0.702,1192 1.006,1193 0.995,1194 0.134,1195 0.973,1196 4.007,1197 1.946,1198 5.333,1199 3.714,1200 6.849,1201 5.416,1202 8.454,1203 7.086,1204 10.105,1207 6.12,1208 27.921,1209 2.081,1212 2.541,1213 4.968,1214 5.118,1216 0.452,1222 27.598,1223 77.341,1224 153.26,1225 180.521,1226 194.131,1227 194.131,1228 194.131,1229 67.312,1230 6.802,1231 50.36,1232 50.36,1233 15,1234 12.364,1235 3.807,1236 3,1237 41.529,1238 83,1239 98,1240 0.234,1241 181.063,1242 317.51,1243 433.555,1244 7431,1245 10.3,1246 17.974,1247 0.719,1248 0.633,1249 18.234,1250 15.827,1251 11.952,1252 0.443,1253 0.335,1254 7.543,1255 10.41,1256 7.35,1257 6.016,1258 12.286,1259 9.033,1260 10.984,1261 0.289,1262 0.194,1263 11.547,1264 7.371,1265 8.673,1266 0.189,1267 0.096,1268 8.734,1269 4.406,1270 6.499,1271 0.118,1272 0.053,1273 7.314,1274 2.937,1275 5.021,1276 0.074,1277 0.026,1278 5.349,1279 1.741,1280 0.36,1281 92.629,1282 0.239,1283 24.228,1284 0.661,1285 130,1286 542.211,1287 310.958,1288 536.301,1289 679.55,1290 494,1291 152,1292 425.256,1293 229.623,1294 439.453,1295 642.94,1296 412,1297 5}
{0 CHEMBL1173655,1 1.772,2 12.294,3 3.917,4 15.346,5 129.707,6 8.237,7 0.459,8 4.189,9 4.302,10 3.832,11 3.687,12 5.339,13 3.692,14 4.726,15 4.893,16 4.197,17 4.056,18 5.876,19 4.048,20 4.942,21 5.121,22 4.274,23 4.171,24 6.139,25 4.13,26 4.967,27 5.208,28 4.165,29 4.132,30 6.015,31 4.071,32 4.859,33 5.044,34 4.213,35 4.152,36 6.044,37 4.113,38 4.952,39 5.142,40 4.295,41 4.21,42 6.103,43 4.177,44 5.02,45 5.215,46 4.308,47 4.226,48 6.246,49 4.183,50 4.972,51 5.17,52 4.257,53 4.155,54 6.172,55 4.11,56 0.126,57 0.934,58 10.471,59 5.109,60 11.754,61 6.243,62 0.505,63 1.435,64 22.484,65 8.349,66 37.14,67 10.323,68 0.846,69 1.652,70 32.099,71 10.804,72 74.613,73 13.267,74 0.744,75 1.618,76 35.818,77 11.177,78 69.081,79 15.245,80 0.694,81 1.557,82 28.054,83 10.023,84 61.354,85 13.071,86 0.675,87 1.688,88 29.735,89 10.483,90 57.05,91 13.739,92 0.913,93 1.738,94 33.344,95 10.965,96 99.041,97 14.109,98 0.789,99 1.647,100 34.542,101 11.01,102 79.644,103 14.064,104 32,105 51,106 0.287,107 0.661,108 0.834,109 0.882,110 0.882,111 0.882,112 3.561,113 0.903,114 -4.06,115 -4.01,116 -3.8,118 40.7,120 1,123 2,124 3,125 1,131 2,136 5,137 1,138 5,140 1,141 1,142 1,149 1,161 3,163 1,164 8,166 2,168 5,169 3,172 1,173 5,175 1,177 5,179 3,182 1,183 5,185 1,187 2,189 5,192 2,193 5,195 3,196 1,197 1,200 7,202 1,203 6,205 2,208 7,210 3,211 6,214 1,216 3,217 3,219 2,220 9,224 3,226 2,228 1,229 4,231 1,233 1,235 2,238 2346,239 22.739,240 22.739,241 22.739,242 22.739,243 22.739,244 20.314,245 32.664,246 13.563,247 23.485,248 18.303,249 18.303,250 18.303,251 18.303,252 18.303,253 14.602,254 46.591,255 6.532,256 19.582,257 4.11,258 1.8,259 0.731,260 0.432,261 0.432,262 0.432,263 4.254,264 1,267 1,268 888,269 4.062,271 86.25,272 299.294,276 161.313,279 1.841,280 42.381,283 1,284 0.83,285 1,286 0.8,287 0.5,288 1,289 1,290 0.88,291 75.333,292 418,293 4.58,294 3.499,295 6.591,296 4.113,297 3.146,298 4.514,299 1.058,300 10.562,301 3.041,302 4.22,303 3.312,304 6.107,305 3.774,306 2.846,307 3.872,308 0.916,309 8.973,310 2.637,311 4.044,312 3.241,313 5.948,314 3.655,315 2.723,316 3.528,317 0.86,318 8.314,319 2.529,320 3.721,321 3.017,322 5.369,323 3.436,324 2.483,325 3.007,326 0.86,327 6.999,328 2.357,329 3.566,330 2.691,331 5.354,332 3.272,333 2.314,334 2.875,335 0.4,336 6.816,337 2.203,338 3.455,339 2.643,340 5.056,341 3.144,342 2.218,343 2.66,344 0.172,345 6.034,346 2.034,347 3.322,348 2.437,349 4.945,350 3.061,351 2.109,352 2.502,354 5.602,355 1.976,356 3.215,357 2.125,358 4.644,359 2.828,360 1.869,361 2.235,363 5.126,364 1.78,365 2.978,366 2.037,367 4.415,368 2.476,369 1.549,370 2.187,372 4.261,373 1.431,374 2.82,375 1.932,376 4.041,377 2.319,378 1.414,379 1.948,381 3.523,382 1.217,383 2.665,384 1.549,385 3.871,386 2.222,387 1.315,388 1.687,389 3.096,390 1.19,391 2.517,392 1.509,393 3.425,394 2.005,395 1.094,396 1.342,397 2.489,398 0.991,399 2.185,400 1.358,401 3.265,402 1.956,403 0.989,404 1.17,405 2.115,406 0.944,407 1.679,408 0.938,409 3.09,410 1.543,411 0.618,412 0.618,413 1.372,414 0.566,415 1.618,416 0.832,417 3,418 1.344,419 0.424,420 0.505,421 1.106,422 0.383,423 16,424 0.471,425 0.873,426 0.026,427 43.5,428 1.279,429 20.5,430 0.603,431 23,432 0.676,433 29.588,434 0.87,435 37.4,436 0.634,437 37.102,438 1.091,439 8.869,440 0.261,441 7.516,442 0.221,443 0.146,445 0.338,448 1,449 0.748,450 1.32,451 0.63,452 1.102,453 0.58,454 0.954,455 1.004,456 0.987,457 0.748,458 0.861,459 0.63,460 0.834,461 1.08,462 1.167,463 0.98,464 1.089,465 0.907,466 1.076,467 0.83,468 0.859,469 0.735,470 0.796,471 0.79,472 0.778,473 0.691,474 0.804,475 0.854,476 0.971,477 0.81,478 0.962,479 0.848,480 1.007,481 0.755,482 0.974,483 0.832,484 0.955,485 1.043,486 0.894,487 0.894,488 0.891,489 1.191,490 0.957,491 1.042,492 1.083,493 1.002,494 1.06,495 1.132,496 1.018,497 7.5,498 0.289,499 3.333,500 1.972,501 1.986,502 1.007,503 0.945,504 0.657,505 0.501,506 0.294,507 16064,508 50340,509 2.059,510 42.4,512 20,514 1,515 2,518 2,520 1.767,521 1.925,522 3.565,523 0.235,528 104.576,529 1.772,530 4.082,531 5.152,532 5.45,533 5.45,534 5.45,535 3.067,536 4.735,537 5.051,538 3.759,539 2108.56,540 8.902,541 32537.3,546 347.076,547 1.419,548 5.016,549 0.203,550 0.008,551 0.065,552 0.039,553 0.041,554 0.019,555 0.017,556 0.012,557 0.01,558 0.007,559 0.423,560 0.33,561 0.88,562 1.454,563 181.75,564 -0.062,565 -0.212,566 0.03,567 -0.1,568 -0.048,569 -0.021,570 -0.086,571 0.035,572 0.041,573 0.09,574 0.033,575 0.088,576 -0.033,577 -0.158,578 -0.064,579 -0.109,580 0.01,581 -0.128,582 0.006,583 0.044,584 0.172,585 0.164,586 -0.004,587 0.224,588 0.108,589 0.127,590 -0.015,591 -0.008,592 0.02,593 -0.006,595 -0.049,596 0.031,597 -0.028,598 -0.021,599 -0.007,600 -0.05,601 0.032,602 -0.035,603 0.042,604 -0.056,605 -0.026,606 -0.036,607 -0.148,608 -0.019,609 -0.086,610 -0.033,611 -0.056,612 2.176,613 5.571,614 0.618,615 41.059,616 1.018,617 1.135,618 2.83,619 8.01,620 0.671,621 3.638,622 3.951,623 4.174,624 4.431,625 4.673,626 4.812,627 4.99,628 5.182,629 5.318,630 5.384,631 7.427,632 0.648,633 485.99,634 3.638,635 5.176,636 6.009,637 6.878,638 7.734,639 8.612,640 9.48,641 10.363,642 11.24,643 12.128,644 8.5,647 1,651 1,652 1,654 2,656 2,657 6,658 2,662 6,664 17,674 1,677 1,678 2,679 59,680 19,681 2,682 37,684 62,685 24,686 14,687 7,688 5,689 3,690 4,691 5,692 1,697 2,700 2,702 17,703 7,706 2,709 1,710 2,712 1,716 1,718 25,719 9,720 2,721 10,722 1,726 5,729 0.75,730 3,735 1,740 1,744 1,745 3,749 1,755 1,758 2,763 1,765 1,766 3,770 2,771 1,772 1,774 34,780 4,781 2,782 2,784 1,785 1,794 2,795 5.1,798 1,799 1,800 1,801 17.667,802 11.136,803 7.444,804 3.333,805 3.558,806 1.446,807 0.976,808 7.958,809 11.54,810 3.882,811 4.466,812 5.012,813 5.596,814 6.197,815 6.549,816 6.987,817 7.471,818 7.901,819 8.14,820 1,821 50,822 12.591,823 5.352,824 7.895,825 23.595,826 18.934,827 2.395,828 81.444,832 270.735,833 140.698,834 72.717,835 39.149,836 47.145,837 14.96,839 140.698,840 357.029,841 87.677,842 16.793,843 31.836,844 66.334,845 86.192,846 68.849,847 17.288,848 258.964,849 39.149,850 270.735,851 213.415,852 62.105,853 39.149,855 262.153,856 59.687,857 11,858 63.734,859 97.158,860 91.672,862 285.695,863 119.862,864 179.847,867 270.735,868 48.953,869 94.869,870 36.022,871 134.825,872 270.735,873 134.822,874 179.847,876 0.579,877 0.319,878 0.166,879 0.091,880 23,881 11,882 0.129,883 8,884 1,885 1.095,886 4.437,887 315.404,888 0.095,889 21,890 170.974,894 24.361,895 11.106,896 6.435,897 1.256,898 134.822,899 9.24,900 8.683,904 1.495,906 36.022,907 585.404,908 47.5,911 12.571,912 3.254,914 -0.287,916 60.047,917 66.971,918 0.301,919 0.694,920 0.876,921 0.927,922 0.927,923 0.927,924 5.119,925 1.869,926 5.989,927 5.602,928 4.635,929 5.153,930 2.082,931 6.765,932 4.508,933 6.318,934 1.549,935 7.526,936 5.126,937 4.205,938 4.987,939 0.325,940 7.573,941 4.009,942 7.616,943 1.414,944 9.158,945 4.261,946 6.196,947 7.342,948 1.903,949 10.659,950 5.967,951 8.949,952 1.315,953 10.847,954 3.523,955 6.553,956 7.999,957 0.393,958 12.29,959 6.257,960 10.312,961 1.094,962 12.572,963 3.096,964 8.019,965 9.858,966 1.815,967 14.895,968 7.696,969 11.697,970 0.989,971 14.323,972 2.489,973 8.751,974 10.923,975 0.384,976 16.899,977 8.37,978 13.102,979 0.618,980 16.093,981 2.115,982 10.001,983 12.572,984 1.774,985 19.33,986 9.594,987 3.146,988 0.424,989 17.879,990 1.372,991 10.924,992 13.85,993 0.351,994 21.511,995 10.468,996 2.846,997 10.562,998 19.677,999 1.106,1000 12.085,1001 15.407,1002 1.767,1003 23.878,1004 11.602,1005 2.723,1006 8.973,1007 21.485,1008 4.514,1009 13.104,1010 16.792,1011 0.312,1012 26.144,1013 12.582,1014 2.483,1015 8.314,1016 23.302,1017 3.872,1018 14.232,1019 18.31,1020 1.786,1021 28.49,1022 13.682,1023 2.314,1024 6.999,1025 25.127,1026 3.528,1027 15.3,1028 19.751,1029 0.273,1030 30.797,1031 14.717,1032 2.218,1033 6.816,1034 26.958,1035 3.007,1036 16.419,1037 21.254,1038 1.825,1039 33.139,1040 15.809,1041 2.109,1042 6.034,1043 28.794,1044 2.875,1045 17.514,1046 22.723,1047 0.236,1048 35.467,1049 16.874,1050 15557,1051 27786,1052 24.561,1053 39.563,1054 54.995,1055 56.97,1056 55.654,1057 54.671,1058 54.582,1059 69.734,1060 8.534,1061 153.623,1062 50.851,1063 5.517,1064 5.499,1065 6.204,1066 5.231,1067 5.146,1068 7.514,1069 2.117,1070 17.503,1071 5.041,1072 18.08,1073 1.486,1074 1.54,1075 1.504,1076 1.478,1077 1.475,1078 1.885,1079 0.231,1080 4.152,1081 1.374,1082 4.088,1083 4.118,1084 4.079,1085 3.986,1086 8.201,1087 4,1088 3.891,1089 3.913,1090 3.983,1091 3.82,1092 7.43,1093 3.82,1094 3.784,1095 3.824,1096 3.683,1097 3.6,1098 5.089,1099 3.61,1100 3.745,1101 3.801,1102 3.645,1103 3.577,1104 4.858,1105 3.585,1106 3.525,1107 3.591,1108 3.449,1109 3.288,1110 4.747,1111 3.316,1112 3.362,1113 3.415,1114 3.341,1115 3.168,1116 4.521,1117 3.183,1118 3.121,1119 3.189,1120 3.247,1121 2.928,1122 4.418,1123 2.946,1124 2.999,1125 3.067,1126 3.013,1127 2.804,1128 4.364,1129 2.791,1130 0.124,1131 0.095,1132 0.178,1133 0.111,1134 0.085,1135 4.58,1136 0.122,1137 3.499,1138 0.029,1139 6.591,1140 0.285,1141 4.113,1142 0.082,1143 3.146,1144 4.514,1145 1.058,1146 10.562,1147 3.041,1148 2.013,1149 1.989,1150 2.063,1151 2.132,1152 1.214,1153 2.113,1154 1.856,1155 1.837,1156 1.928,1157 1.952,1158 1.154,1159 1.951,1160 1.699,1161 1.646,1162 1.902,1163 1.902,1164 1.047,1165 1.907,1166 1.565,1167 1.516,1168 1.803,1169 1.761,1170 1.033,1171 1.771,1172 1.435,1173 1.364,1174 1.665,1175 1.694,1176 0.793,1177 1.682,1178 1.319,1179 1.266,1180 1.577,1181 1.609,1182 0.699,1183 1.597,1184 1.263,1185 1.208,1186 1.44,1187 1.487,1188 0.469,1189 1.488,1190 1.044,1191 0.986,1192 1.417,1193 1.289,1194 0.46,1195 1.308,1196 4.317,1198 5.631,1199 2.398,1200 7.122,1201 4.443,1202 8.705,1203 6.26,1204 10.342,1206 3.841,1207 5.912,1208 13.552,1212 2.506,1213 6.034,1214 11.549,1216 -0.113,1217 1.95,1222 38.257,1223 104.576,1224 240.863,1225 303.957,1226 321.566,1227 321.566,1228 321.566,1229 72.926,1230 7.981,1231 88.61,1232 88.61,1233 23,1234 12.661,1235 4.322,1236 3.524,1237 56.504,1238 146,1239 166,1240 0.183,1241 237.63,1242 417.87,1243 571.578,1244 32653,1245 3.4,1246 24.079,1247 0.708,1248 0.577,1249 23.709,1250 19.603,1251 16.385,1252 0.443,1253 0.301,1254 10.578,1255 15.275,1256 10.289,1257 8.518,1258 16.263,1259 11.141,1260 15.028,1261 0.295,1262 0.167,1263 14.94,1264 8.506,1265 11.845,1266 0.185,1267 0.084,1268 11.446,1269 5.388,1270 9.611,1271 0.116,1272 0.043,1273 9.78,1274 3.6,1275 7.652,1276 0.072,1277 0.021,1278 7.561,1279 2.187,1280 0.285,1281 107.252,1282 0.202,1283 31.382,1284 0.507,1285 176,1286 623.122,1287 213.726,1288 596.032,1289 786.68,1290 556,1291 203,1292 538.678,1293 238.133,1294 548.304,1295 799.81,1296 512,1297 5}
{0 CHEMBL119385,1 2.02,2 10.857,3 5.899,4 34.795,5 108.721,6 11.791,7 0.387,8 3.774,9 3.838,10 3.754,11 3.491,12 5.111,13 3.475,14 4.233,15 4.313,16 4.208,17 3.877,18 5.662,19 3.854,20 4.482,21 4.592,22 4.384,23 4.012,24 5.898,25 3.974,26 4.438,27 4.536,28 4.398,29 3.951,30 6.022,31 3.907,32 4.407,33 4.505,34 4.383,35 3.838,36 6.04,37 3.841,38 4.352,39 4.493,40 4.1,41 3.765,42 5.776,43 3.725,44 4.206,45 4.376,46 3.773,47 3.576,48 5.546,49 3.494,50 3.952,51 4.131,52 3.814,53 3.378,54 5.329,55 3.275,56 0.206,57 0.631,58 0.365,59 2.485,60 21.925,61 2.257,62 0.385,63 1.026,64 1.321,65 4.245,66 37.279,67 3.606,68 0.661,69 1.354,70 13.947,71 7.433,72 83.324,73 5.947,74 0.817,75 1.307,76 16.405,77 7.013,78 110.113,79 5.367,80 0.753,81 1.119,82 12.655,83 6.115,84 80.618,85 4.523,86 0.674,87 1.044,88 9.362,89 5.601,90 70.44,91 4.465,92 0.581,93 0.955,94 14.148,95 5.842,96 62.946,97 5.374,98 0.47,99 0.837,100 15.059,101 5.159,102 56.905,103 4.94,104 26,105 45,106 0.356,107 0.661,108 0.797,109 0.88,110 0.88,111 0.88,112 3.375,113 0.917,114 -6.72,115 -6.54,116 -6.06,118 51.4,131 2,132 1,133 1,136 6,137 1,138 5,149 3,157 1,161 5,163 2,164 6,169 11,172 1,173 7,179 13,182 1,183 4,189 6,192 1,193 18,200 8,203 9,208 8,211 3,217 2,220 2,226 7,229 1,235 3,238 1112,239 18.654,240 18.654,241 18.654,242 18.654,243 18.654,244 16.187,245 19.118,246 10.719,247 19.305,248 15.266,249 15.266,250 15.266,251 15.266,252 15.266,253 11.457,254 21.577,255 5.067,256 16.502,257 3.189,258 1.461,259 0.689,260 0.216,261 0.216,262 0.216,263 4.069,264 2,267 1,268 659,269 2.55,272 301.744,276 114.555,279 1.745,280 45.737,283 0.75,284 0.83,285 0.83,286 0.3,288 0.83,289 1,290 0.65,291 62.167,292 304,293 4.659,294 4.62,295 7.045,296 4.27,297 3.3,298 4.28,299 3.37,300 12.073,301 3.195,302 4.265,303 3.709,304 6.252,305 3.817,306 2.906,307 3.894,308 1.208,309 9.257,310 2.633,311 4.146,312 3.398,313 6.088,314 3.716,315 2.786,316 3.648,317 0.618,318 8.827,319 2.561,320 3.818,321 3.258,322 5.582,323 3.343,324 2.406,325 3.147,327 7.21,328 2.237,329 3.456,330 2.94,331 5.197,332 3.061,333 2.136,334 2.745,336 6.279,337 1.929,338 3.318,339 2.8,340 4.913,341 2.859,342 1.934,343 2.481,345 5.588,346 1.763,347 3.232,348 2.623,349 4.841,350 2.707,351 1.879,352 2.474,354 5.104,355 1.664,356 3.15,357 2.376,358 4.646,359 2.703,360 1.743,361 2.222,363 4.741,364 1.441,365 2.839,366 2.108,367 4.127,368 2.363,369 1.415,370 1.945,372 3.648,373 1.347,374 2.817,375 1.524,376 4.057,377 2.34,378 1.351,379 1.916,381 3.312,382 1.309,383 2.536,384 1.309,385 3.542,386 1.813,387 0.871,388 1.291,389 2.117,390 0.8,391 1.915,392 1.178,393 3.085,394 1.29,395 0.398,396 0.508,397 0.971,398 0.338,399 1.597,400 1.113,401 2.973,402 1.186,403 0.288,404 0.363,405 0.691,406 0.232,407 1.272,408 0.832,409 2.564,410 0.751,411 -0.151,412 -0.204,413 -0.374,414 -0.125,415 1,416 0.445,417 2.407,418 0.473,419 -0.347,420 -0.445,421 -0.757,422 -0.229,423 13.867,424 0.495,425 0.822,426 0.029,427 38,428 1.357,429 20,430 0.714,431 18,432 0.643,433 22.586,434 0.807,435 28.133,436 0.76,437 29.769,438 1.063,439 7.754,440 0.277,441 5.681,442 0.203,443 0.168,445 0.389,448 2,449 0.545,450 0.806,451 0.518,452 0.692,453 0.533,454 0.676,455 0.664,456 0.945,457 0.658,458 0.829,459 0.596,460 0.805,461 1.041,462 1.056,463 1.087,464 1.075,465 0.981,466 0.926,467 0.972,468 0.954,469 1.174,470 1.072,471 0.92,472 1.004,473 0.753,474 0.916,475 1.028,476 1.166,477 0.786,478 1.015,479 0.972,480 0.769,481 1.043,482 0.838,483 0.908,484 1.041,485 0.932,486 0.837,487 1.172,488 1.059,489 0.85,490 1.233,491 0.817,492 0.849,493 0.508,494 0.761,495 0.963,496 0.901,497 6,498 0.182,499 3.556,500 2.563,501 2.524,502 0.826,503 0.764,504 0.443,505 0.222,506 0.269,507 9437,508 40448,509 2.072,510 24.3,512 8,514 1,520 1.711,521 1.909,522 3.35,523 -0.671,528 74.755,529 2.02,530 3.749,531 4.52,532 4.993,533 4.993,534 4.993,535 2.901,536 4.138,537 4.778,538 3.537,539 1337.15,540 8.312,541 17189.3,546 192.75,547 1.497,548 4.723,549 0.194,550 0.008,551 0.079,552 0.052,553 0.055,554 0.018,555 0.021,556 0.017,557 0.01,558 0.013,559 0.468,560 0.33,561 0.88,562 0.616,563 139.301,564 -0.003,565 -0.001,566 0.004,567 0.02,568 -0.043,569 0.007,570 -0.014,571 -0.083,572 0.004,573 -0.022,574 0.011,575 -0.056,576 -0.159,577 -0.085,578 -0.098,579 -0.05,580 -0.119,581 0.012,582 -0.02,583 -0.013,584 -0.099,585 -0.058,586 0.022,587 -0.098,588 0.132,589 -0.1,590 -0.011,591 -0.258,592 0.068,593 -0.157,594 -0.141,595 0.038,596 -0.11,597 0.038,598 -0.133,599 -0.074,600 -0.089,601 0.025,602 -0.137,603 -0.04,604 -0.065,605 -0.072,606 0.13,607 0.191,608 0.483,609 0.398,611 0.336,612 2.353,613 5.899,614 0.786,615 25.98,616 1.049,617 1.115,618 5.495,619 30.19,620 0.798,621 3.466,622 3.829,623 4.127,624 4.431,625 4.7,626 4.727,627 4.844,628 5.037,629 5.17,630 5.215,631 6.335,632 0.784,633 436.28,634 3.466,635 5.03,636 5.9,637 6.801,638 7.689,639 8.594,640 9.489,641 10.395,642 11.295,643 12.202,644 8.1,647 1,653 2,657 6,662 6,664 12,678 4,679 37,680 17,681 2,682 31,684 40,685 19,686 12,687 6,688 6,689 7,690 4,691 5,692 2,702 19,706 5,709 1,710 3,711 2,712 4,716 2,718 9,719 6,721 9,722 3,726 3,727 1,729 0.75,730 1,745 4,749 1,758 3,759 1,766 3,767 1,768 1,771 2,772 2,774 28,783 1,785 1,794 4,795 2.7,798 1,801 14.667,802 7.005,803 6.028,804 2.077,805 3.464,806 1.445,807 1.025,808 5.174,809 11.246,810 3.761,811 4.382,812 4.977,813 5.55,814 6.112,815 6.353,816 6.709,817 7.156,818 7.537,819 7.841,820 1,821 49,822 10.378,823 4.657,824 8.204,825 18.782,826 15.489,827 2.704,828 75.722,832 105.94,833 158.397,834 36.45,835 78.297,836 25.145,837 29.92,838 32.22,839 126.177,840 209.382,841 66.371,844 75.81,845 54.118,846 69.615,847 29.92,848 126.388,849 78.297,850 105.94,851 162.627,852 55.065,853 110.517,855 135.86,856 25.145,858 36.45,859 104.468,860 100.007,861 32.22,862 135.86,863 61.595,864 236.694,867 105.94,868 73.968,869 87.43,871 166.811,872 105.94,873 91.515,874 236.694,876 0.594,877 0.354,878 0.198,879 0.112,880 23,881 11,882 0.075,883 3,884 1,885 1.091,886 3.842,887 253.772,888 0.091,889 22,890 128.606,891 1,894 19.037,895 7.61,896 3.701,898 91.515,899 8.234,904 -0.132,907 434.149,908 42,911 12.431,912 4.53,913 8.19,914 0.593,916 38.8,917 41.268,918 0.388,919 0.72,920 0.868,921 0.958,922 0.958,923 0.958,924 5.024,925 1.743,926 5.911,927 5.104,928 4.511,929 5.069,930 3.31,931 6.765,932 4.36,933 6.262,934 1.415,935 7.499,936 4.741,937 4.205,938 4.913,940 7.756,941 3.93,942 7.59,943 1.351,944 9.187,945 3.648,946 6.146,947 7.27,948 5.574,949 10.894,950 5.884,951 8.95,952 0.871,953 10.934,954 3.312,955 6.621,956 7.89,958 12.737,959 6.261,960 10.34,961 0.398,962 12.719,963 2.117,964 8.072,965 9.739,966 7.985,967 15.422,968 7.719,969 11.752,970 0.288,971 14.532,972 0.971,973 8.916,974 10.745,976 17.636,977 8.495,978 13.182,979 -0.151,980 16.367,981 0.691,982 10.179,983 12.37,984 10.413,985 20.173,986 9.752,987 3.3,988 -0.347,989 18.22,990 -0.374,991 11.196,992 13.577,994 22.546,995 10.723,996 2.906,997 12.073,998 20.087,999 -0.757,1000 12.39,1001 15.097,1002 12.843,1003 25.039,1004 11.902,1005 2.786,1006 9.257,1007 21.966,1008 4.28,1009 13.488,1010 16.409,1012 27.478,1013 12.968,1014 2.406,1015 8.827,1016 23.855,1017 3.894,1018 14.659,1019 17.88,1020 15.272,1021 29.962,1022 14.121,1023 2.136,1024 7.21,1025 25.753,1026 3.648,1027 15.797,1028 19.248,1030 32.428,1031 15.232,1032 1.934,1033 6.279,1034 27.659,1035 3.147,1036 16.965,1037 20.697,1038 17.702,1039 34.912,1040 16.38,1041 1.879,1042 5.588,1043 29.57,1044 2.745,1045 18.121,1046 22.096,1048 37.391,1049 17.513,1050 9030,1051 18837,1052 20.403,1053 29.517,1054 48.27,1055 51.825,1056 49.211,1057 47.199,1058 46.83,1059 61.825,1060 10.391,1061 139.634,1062 42.898,1063 5.486,1064 6.62,1065 6.59,1066 5.404,1067 5.3,1068 7.28,1069 6.74,1070 19.503,1071 5.195,1072 15.262,1073 1.557,1074 1.672,1075 1.587,1076 1.523,1077 1.511,1078 1.994,1079 0.335,1080 4.504,1081 1.384,1082 4.021,1083 4.042,1084 4.149,1085 3.958,1086 8.211,1087 3.954,1088 3.897,1089 3.915,1090 4.051,1091 3.851,1092 8.191,1093 3.834,1094 3.771,1095 3.805,1096 3.802,1097 3.66,1098 7.431,1099 3.668,1100 3.419,1101 3.448,1102 3.582,1103 3.289,1104 5.023,1105 3.286,1106 3.062,1107 3.11,1108 3.535,1109 2.95,1110 4.836,1111 2.93,1112 2.934,1113 2.968,1114 3.16,1115 2.849,1116 4.632,1117 2.815,1118 2.901,1119 2.934,1120 3.066,1121 2.824,1122 4.496,1123 2.803,1124 2.885,1125 2.918,1126 2.916,1127 2.733,1128 4.358,1129 2.733,1130 0.15,1131 0.149,1132 0.227,1133 0.138,1134 0.106,1135 4.659,1136 0.138,1137 4.62,1138 0.109,1139 7.045,1140 0.389,1141 4.27,1142 0.103,1143 3.3,1144 4.28,1145 3.37,1146 12.073,1147 3.195,1148 1.952,1149 1.939,1150 1.985,1151 2.047,1152 1.152,1153 2.035,1154 1.86,1155 1.845,1156 1.917,1157 1.944,1158 1.038,1159 1.945,1160 1.722,1161 1.69,1162 1.807,1163 1.849,1164 0.883,1165 1.848,1166 1.337,1167 1.31,1168 1.439,1169 1.522,1170 0.467,1171 1.504,1172 1.004,1173 0.959,1174 1.121,1175 1.178,1176 0.188,1177 1.171,1178 0.865,1179 0.827,1180 1.114,1181 1.068,1182 0.16,1183 1.08,1184 0.849,1185 0.825,1186 1,1187 0.989,1188 0.105,1189 1.004,1190 0.835,1191 0.802,1192 0.869,1193 0.962,1194 0.073,1195 0.979,1196 4.143,1198 5.493,1200 7.047,1202 8.699,1204 10.401,1207 12.496,1208 26.974,1215 1.018,1217 1.389,1222 29.022,1223 74.755,1224 138.711,1225 167.24,1226 184.75,1227 184.75,1228 184.75,1229 65.282,1230 7.782,1231 47.26,1232 72.56,1233 24,1234 12.72,1235 4.17,1236 3.585,1237 42.438,1238 108,1239 114,1240 0.198,1241 185.822,1242 339.84,1243 445.166,1244 25663,1245 10.8,1246 19.836,1247 0.708,1248 0.578,1249 19.449,1250 16.195,1251 13.436,1252 0.433,1253 0.306,1254 7.912,1255 11.887,1256 7.662,1257 6.261,1258 13.617,1259 9.471,1260 12.589,1261 0.28,1262 0.168,1263 12.874,1264 7.576,1265 10.617,1266 0.174,1267 0.09,1268 11.159,1269 5.52,1270 9.166,1271 0.11,1272 0.049,1273 10.128,1274 4.053,1275 7.701,1276 0.071,1277 0.026,1278 8.564,1279 2.785,1280 0.308,1281 94.793,1282 0.221,1283 26.455,1284 0.554,1285 152,1286 622.16,1287 225.339,1288 631.651,1289 821.71,1290 584,1291 182,1292 531.755,1293 244.079,1294 560.053,1295 827.23,1296 527,1297 5}
{0 CHEMBL1230020,1 2.082,2 10,3 3.768,4 14.197,5 98.861,6 10.094,7 0.552,8 3.85,9 3.929,10 3.793,11 3.455,12 5.092,13 3.441,14 4.377,15 4.493,16 4.109,17 3.831,18 5.867,19 3.816,20 4.639,21 4.795,22 4.219,23 3.907,24 6.08,25 3.898,26 4.633,27 4.775,28 4.268,29 3.839,30 6.398,31 3.861,32 4.566,33 4.696,34 4.176,35 3.776,36 6.311,37 3.796,38 4.493,39 4.637,40 4.131,41 3.713,42 6.047,43 3.736,44 4.464,45 4.621,46 4.02,47 3.632,48 6.303,49 3.635,50 4.354,51 4.54,52 3.938,53 3.524,54 5.865,55 3.479,56 0.225,57 0.758,58 5.948,59 3.96,60 39.021,61 3.501,62 0.571,63 1.185,64 13.505,65 7.01,66 90.283,67 6.806,68 0.941,69 1.471,70 23.616,71 9.001,72 143.309,73 8.416,74 1.292,75 1.6,76 24.487,77 9.13,78 227.35,79 7.35,80 1.187,81 1.303,82 17.657,83 7.732,84 198.265,85 6.459,86 0.968,87 1.433,88 19.899,89 7.853,90 154.093,91 6.642,92 1.18,93 1.35,94 14.778,95 7.11,96 213.546,97 6.515,98 0.907,99 1.03,100 20.115,101 7.122,102 129.051,103 6.493,104 54,105 43,106 0.362,107 0.736,108 0.857,109 0.885,110 0.885,111 0.885,112 3.341,113 1.026,114 -3.76,115 -3.72,116 -3.54,118 41.5,119 1,120 1,124 1,136 3,137 3,138 4,139 1,145 1,148 1,152 1,161 4,163 1,164 3,166 3,168 3,169 4,173 6,177 4,179 3,183 6,185 1,187 2,189 3,192 1,193 6,195 1,197 2,200 3,203 1,207 2,208 6,210 2,211 3,215 1,216 2,217 3,220 4,222 1,226 2,229 3,231 2,233 1,235 3,238 1117,239 17.508,240 17.508,241 17.508,242 17.508,243 17.508,244 15.102,245 9.931,246 9.968,247 17.991,248 14.211,249 14.211,250 14.211,251 14.211,252 14.211,253 10.454,254 6.141,255 4.577,256 15.1,257 3.276,258 1.122,259 0.427,260 0.262,261 0.262,262 0.262,263 4.011,264 1,266 1,267 1,268 566,269 4,271 58.129,272 162.885,275 109.256,279 1.556,280 63.062,283 1,284 1,285 1,286 0.4,288 1,289 1,290 0.77,291 61.833,292 270,293 4.724,294 4.459,295 6.959,296 4.283,297 3.307,298 4.565,300 11.67,301 3.247,302 4.647,303 3.72,304 6.747,305 4.139,306 3.194,307 4.496,309 11.053,310 2.988,311 4.416,312 3.21,313 6.525,314 3.929,315 2.974,316 4.166,318 10.176,319 2.821,320 3.788,321 3,322 5.766,323 3.358,324 2.398,325 3.218,327 7.61,328 2.292,329 3.556,330 2.71,331 5.372,332 3.077,333 2.175,334 2.938,336 6.414,337 1.937,338 3.401,339 2.628,340 4.959,341 2.92,342 2.002,343 2.727,345 5.783,346 1.752,347 3.073,348 1.949,349 4.652,350 2.592,351 1.639,352 2.306,354 4.574,355 1.549,356 2.782,357 1.727,358 4.324,359 2.273,360 1.306,361 1.885,363 3.618,364 1.248,365 2.533,366 1.261,367 3.878,368 2.117,369 1.127,370 1.482,372 2.556,373 1.113,374 2.182,375 1.238,376 3.602,377 1.977,378 1.015,379 1.16,381 1.918,382 0.956,383 2.03,384 0.882,385 3.229,386 1.471,387 0.545,388 0.778,389 1.353,390 0.489,391 1.598,392 0.757,393 3.02,394 1.254,395 0.338,396 0.405,397 0.807,398 0.304,399 1.17,400 0.74,401 2.749,402 0.744,403 -0.179,404 -0.223,405 -0.442,406 -0.148,407 1,408 0.407,409 2.568,410 0.448,411 -0.397,412 -0.52,413 -0.789,414 -0.283,415 0.999,416 0.19,417 2.375,418 0.429,419 -0.494,420 -0.527,421 -0.931,422 -0.439,423 12.819,424 0.475,425 0.941,426 0.035,427 36.25,428 1.343,429 19,430 0.704,431 17.25,432 0.639,433 21.809,434 0.808,435 29.781,436 0.726,437 30.411,438 1.126,439 6.951,440 0.257,441 5.78,442 0.214,443 0.217,444 0.065,445 0.351,448 2,449 0.545,450 1.045,451 0.652,452 1.107,453 0.589,454 0.838,455 0.601,456 1.008,457 0.811,458 1.044,459 0.576,460 0.906,461 1.049,462 1.064,463 0.963,464 0.993,465 1.044,466 0.902,467 1.154,468 1.098,469 0.967,470 1.031,471 1.161,472 0.836,473 1.193,474 1,475 0.86,476 0.827,477 1.299,478 0.876,479 1.309,480 1.321,481 0.95,482 1.085,483 1.408,484 0.992,485 1.103,486 1.251,487 0.806,488 0.882,489 1.06,490 1.024,491 1.14,492 1.143,493 1.028,494 1.063,495 1.106,496 1.037,497 7,498 0.132,499 4,500 2.882,501 2.138,502 1.08,503 0.94,504 0.494,505 0.351,506 0.195,507 7608,508 31568,509 1.963,510 34.1,511 3,512 5,513 1,514 1,515 2,517 2,520 1.706,521 1.77,522 3.28,523 0.377,525 1,528 85.36,529 2.082,530 4.235,531 4.93,532 5.095,533 5.095,534 5.095,535 2.718,536 4.533,537 4.726,538 3.426,539 1202.48,540 8.23,541 14929.7,543 1,545 1,546 219.66,547 1.74,548 4.637,549 0.241,550 0.01,551 0.093,552 0.064,553 0.048,554 0.026,555 0.025,556 0.015,557 0.013,558 0.01,559 0.545,560 0.33,561 1,562 1.385,563 131.774,565 -0.071,566 0.107,567 -0.061,568 -0.074,569 0.039,570 0.086,571 -0.084,572 -0.019,573 -0.062,574 0.106,575 0.007,576 -0.131,577 -0.118,578 -0.028,579 -0.02,580 -0.118,581 0.06,582 0.016,583 0.042,584 -0.024,585 0.018,586 0.078,587 0.084,588 -0.032,589 0.004,590 -0.026,591 0.083,592 -0.038,593 0.007,594 -0.117,595 -0.097,596 -0.024,597 -0.121,598 -0.212,599 -0.068,600 0.149,601 0.049,602 -0.013,603 0.019,604 0.193,605 -0.127,606 -0.05,607 -0.017,608 0.079,609 -0.026,610 -0.064,611 -0.02,612 4.731,613 6.786,614 0.556,615 22.217,616 1.046,617 1.136,618 2.526,619 6.381,620 0.71,621 3.401,622 3.784,623 4.043,624 4.331,625 4.511,626 4.585,627 4.7,628 4.787,629 4.754,630 4.762,631 5.899,632 0.699,633 413.86,634 3.401,635 4.977,636 5.838,637 6.751,638 7.633,639 8.548,640 9.44,641 10.356,642 11.253,643 12.168,644 7.3,649 1,652 1,654 1,656 2,657 5,658 1,659 1,662 6,664 16,668 1,678 3,679 41,680 19,681 1,682 29,684 43,685 17,686 13,687 4,688 2,689 1,690 3,691 4,692 1,694 1,700 1,702 14,703 3,706 3,708 1,709 3,712 1,715 1,716 2,718 14,719 7,720 2,721 10,722 2,726 3,729 0.667,730 3,739 1,741 1,744 1,745 2,748 1,766 2,768 1,770 1,771 1,772 2,774 27,778 1,780 2,781 1,794 3,795 7.3,798 3,801 15.25,802 7.712,803 5.861,804 2.453,805 3.302,806 1.454,807 1.005,808 5.406,809 10.574,810 3.714,811 4.416,812 4.972,813 5.604,814 6.116,815 6.447,816 6.841,817 7.227,818 7.379,819 7.689,820 0.857,821 45,822 10.447,823 5.068,824 8.464,825 18.068,826 15.038,827 2.964,828 80.028,831 1,832 141.253,833 104.883,834 49.976,835 39.149,836 69.458,837 29.92,838 5.807,839 99.075,840 249.86,841 79.896,842 8.825,843 3.434,844 43.284,845 121.268,846 59.276,847 41.691,848 117.711,849 39.149,850 141.253,851 149.051,852 99.378,853 44.956,855 147.631,856 93,858 39.808,859 76.053,860 78.147,862 171.173,863 119.434,864 144.031,866 5.807,867 141.253,868 43.727,869 55.349,870 33.191,871 155.312,872 141.253,873 149.354,874 144.031,876 0.596,877 0.348,878 0.191,879 0.098,880 21,881 11,882 0.14,883 6,884 1,885 1.133,886 3.627,887 235.898,888 0.133,889 15,890 126.382,893 1,894 19.589,895 7.451,896 3.92,897 0.617,898 132.569,899 5.835,900 3.99,901 2.728,904 -3.55,906 33.191,907 434.639,908 40,910 -3.814,911 36.519,914 -0.961,916 42.898,917 46.573,918 0.389,919 0.791,920 0.92,921 0.951,922 0.951,923 0.951,924 4.977,925 1.306,926 5.894,927 4.574,928 4.466,929 5.103,931 6.792,932 4.357,933 6.261,934 1.127,935 7.52,936 3.618,937 4.369,938 5.33,940 8.019,941 4.188,942 7.643,943 1.015,944 9.251,945 2.556,946 6.196,947 7.508,949 11.06,950 6.005,951 9.065,952 0.545,953 11.04,954 1.918,955 6.858,956 8.488,958 13.027,959 6.609,960 10.516,961 0.338,962 12.864,963 1.353,964 8.243,965 10.229,967 15.659,968 7.981,969 11.987,970 -0.179,971 14.712,972 0.807,973 9.207,974 11.509,976 17.899,977 8.901,978 13.473,979 -0.397,980 16.576,981 -0.442,982 10.446,983 13.1,985 20.4,986 10.119,987 3.307,988 -0.494,989 18.452,990 -0.789,991 11.533,992 14.504,994 22.748,995 11.169,996 3.194,997 11.67,998 20.337,999 -0.931,1000 12.723,1001 16.04,1003 25.202,1004 12.335,1005 2.974,1006 11.053,1007 22.229,1008 4.565,1009 13.859,1010 17.498,1012 27.595,1013 13.44,1014 2.398,1015 10.176,1016 24.127,1017 4.496,1018 15.035,1019 19.012,1021 30.033,1022 14.591,1023 2.175,1024 7.61,1025 26.028,1026 4.166,1027 16.192,1028 20.494,1030 32.448,1031 15.721,1032 2.002,1033 6.414,1034 27.934,1035 3.218,1036 17.364,1037 22.001,1039 34.881,1040 16.87,1041 1.639,1042 5.783,1043 29.842,1044 2.938,1045 18.531,1046 23.494,1048 37.306,1049 18.012,1050 7624,1051 15673,1052 18.205,1053 29.091,1054 44.355,1055 47.401,1056 46.895,1057 44.271,1058 44.04,1059 60.252,1061 135.065,1062 41.391,1063 5.574,1064 6.459,1065 6.676,1066 5.326,1067 5.307,1068 7.565,1070 19.344,1071 5.247,1072 17.232,1073 1.529,1074 1.635,1075 1.617,1076 1.527,1077 1.519,1078 2.078,1080 4.657,1081 1.427,1082 4.134,1083 4.162,1084 4.723,1085 4.042,1086 8.21,1087 4.042,1088 4.02,1089 4.013,1090 4.141,1091 3.963,1092 8.191,1093 3.89,1094 3.836,1095 3.833,1096 3.89,1097 3.767,1098 7.716,1099 3.723,1100 3.435,1101 3.478,1102 3.659,1103 3.321,1104 7.427,1105 3.321,1106 3.392,1107 3.441,1108 3.24,1109 3.23,1110 6.999,1111 3.185,1112 3.138,1113 3.164,1114 3.155,1115 2.94,1116 5.103,1117 2.964,1118 2.937,1119 2.985,1120 2.936,1121 2.723,1122 4.66,1123 2.748,1124 2.789,1125 2.857,1126 2.808,1127 2.594,1128 4.502,1129 2.613,1130 0.163,1131 0.154,1132 0.24,1133 0.148,1134 0.114,1135 4.724,1136 0.157,1137 4.459,1139 6.959,1140 0.402,1141 4.283,1142 0.112,1143 3.307,1144 4.565,1146 11.67,1147 3.247,1148 1.941,1149 1.935,1150 1.968,1151 2.044,1152 1.273,1153 2.055,1154 1.851,1155 1.838,1156 1.904,1157 1.973,1158 1.104,1159 1.969,1160 1.748,1161 1.747,1162 1.877,1163 1.88,1164 1.001,1165 1.906,1166 1.499,1167 1.451,1168 1.623,1169 1.702,1170 0.7,1171 1.691,1172 1.33,1173 1.292,1174 1.376,1175 1.547,1176 0.631,1177 1.593,1178 1.083,1179 1.047,1180 1.202,1181 1.282,1182 0.275,1183 1.265,1184 0.841,1185 0.814,1186 1.068,1187 1.096,1188 0.19,1189 1.102,1190 0.825,1191 0.773,1192 0.999,1193 0.997,1194 0.096,1195 1.001,1196 4.078,1198 5.442,1199 2.398,1200 6.995,1201 4.727,1202 8.636,1203 6.843,1204 10.324,1206 1.644,1207 5.876,1208 29.029,1212 0.076,1213 2.039,1222 28.677,1223 85.36,1224 173.644,1225 202.15,1226 208.905,1227 208.905,1228 208.905,1229 96.218,1230 7.271,1231 91.92,1232 100.3,1233 17,1234 12.683,1235 4.322,1236 3.585,1237 46.765,1238 93,1239 109,1240 0.246,1241 182.473,1242 316.99,1243 436.993,1244 12953,1245 7.3,1246 19.767,1247 0.732,1248 0.577,1249 18.777,1250 15.587,1251 12.731,1252 0.439,1253 0.342,1254 7.923,1255 11.074,1256 7.606,1257 6.276,1258 13.035,1259 9.92,1260 12.312,1261 0.286,1262 0.188,1263 13.071,1264 8.064,1265 9.756,1266 0.174,1267 0.098,1268 9.888,1269 5.482,1270 8.468,1271 0.113,1272 0.052,1273 8.641,1274 3.917,1275 6.216,1276 0.069,1277 0.025,1278 6.326,1279 2.255,1280 0.377,1281 92.697,1282 0.234,1283 25.434,1284 0.705,1285 144,1286 626.803,1287 212.35,1288 598.762,1289 768.64,1290 546,1291 171,1292 494.02,1293 242.126,1294 528.44,1295 773.65,1296 494,1297 5}
{0 CHEMBL1236107,1 1.623,2 10.731,3 3.403,4 11.578,5 103.098,6 9.217,7 0.867,8 3.829,9 3.94,10 3.642,11 3.455,12 5.026,13 3.437,14 4.294,15 4.44,16 4.046,17 3.831,18 5.445,19 3.809,20 4.428,21 4.597,22 4.039,23 3.91,24 5.552,25 3.836,26 4.391,27 4.585,28 3.875,29 3.811,30 5.447,31 3.719,32 4.291,33 4.491,34 3.827,35 3.7,36 5.335,37 3.618,38 4.228,39 4.422,40 3.757,41 3.628,42 5.318,43 3.567,44 4.165,45 4.358,46 3.696,47 3.532,48 5.303,49 3.485,50 4.023,51 4.213,52 3.466,53 3.445,54 5.121,55 3.387,56 0.097,57 0.691,58 5.169,59 3.012,60 6.507,61 3.276,62 0.186,63 1.1,64 11.121,65 4.777,66 10.517,67 5.044,68 0.242,69 1.226,70 16.502,71 6.462,72 20.241,73 6.669,74 0.225,75 1.132,76 15.46,77 6.453,78 19.77,79 7.127,80 0.239,81 1.046,82 16.434,83 5.982,84 16.004,85 6.385,86 0.197,87 0.988,88 14.325,89 5.214,90 17.168,91 5.218,92 0.321,93 0.968,94 14.677,95 4.658,96 19.123,97 4.673,98 0.143,99 0.762,100 8.904,101 4.082,102 13.225,103 4.966,104 2,105 43,106 0.28,107 0.629,108 0.794,109 0.889,110 0.889,111 0.889,112 3.305,113 0.882,114 -4.86,115 -4.77,116 -4.48,118 46.2,123 1,136 7,137 2,138 1,139 2,140 2,145 1,152 1,153 1,157 3,161 5,163 2,164 11,169 7,172 2,173 10,179 7,182 2,183 7,189 4,192 2,193 13,200 4,203 6,208 2,210 6,211 6,217 6,219 2,220 2,226 5,229 5,235 3,238 988,239 18.049,240 18.049,241 18.049,242 18.049,243 18.049,244 15.07,245 6.656,246 10.553,247 18.546,248 14.857,249 14.857,250 14.857,251 14.857,252 14.857,253 10.401,254 4.873,255 5.066,256 15.729,257 3.662,258 1.631,259 0.677,260 0.122,261 0.122,262 0.122,263 4.022,265 1,266 1,267 1,268 634,269 2.345,271 115.387,272 187.508,275 94.739,276 107.005,279 1.675,280 13.861,282 1,283 1,284 1,285 1,286 0.4,288 1,289 1,290 0.77,291 55.5,292 279,293 4.578,294 4.573,295 6.574,296 4.062,297 3.134,298 4.523,299 2.95,300 10.474,301 2.934,302 4.403,303 3.285,304 6.185,305 3.897,306 2.922,307 4.334,309 9.236,310 2.85,311 4.205,312 2.928,313 6.129,314 3.768,315 2.813,316 3.852,318 9.027,319 2.664,320 3.695,321 2.788,322 5.386,323 3.234,324 2.328,325 3.121,327 6.992,328 2.1,329 3.56,330 2.518,331 5.053,332 3.113,333 2.17,334 2.971,336 6.072,337 2.027,338 3.271,339 2.209,340 4.952,341 2.752,342 1.824,343 2.61,345 5.519,346 1.682,347 3.118,348 1.618,349 4.413,350 2.603,351 1.618,352 2.427,354 4.36,355 1.592,356 2.894,357 1.471,358 4.245,359 2.372,360 1.406,361 2.084,363 3.804,364 1.355,365 2.821,366 1.414,367 4.017,368 2.329,369 1.365,370 1.962,372 3.15,373 1.312,374 2.613,375 1.31,376 3.616,377 2.107,378 1.15,379 1.664,381 2.982,382 1.093,383 2.223,384 0.964,385 3.286,386 1.707,387 0.761,388 1.098,389 1.789,390 0.714,391 2.183,392 0.833,393 3.261,394 1.646,395 0.694,396 1.029,397 1.65,398 0.659,399 2.088,400 0.684,401 3.17,402 1.561,403 0.612,404 0.897,405 1.499,406 0.577,407 1.317,408 0.467,409 2.88,410 0.859,411 -0.029,412 -0.038,413 -0.079,414 -0.025,415 0.929,416 0.121,417 2.543,418 0.474,419 -0.485,420 -0.649,421 -1.219,422 -0.456,423 12.633,424 0.486,425 0.585,426 0.022,427 40,428 1.538,429 22.5,430 0.865,431 17.5,432 0.673,433 16.575,434 0.637,435 25.167,436 0.645,437 26.762,438 1.029,439 7.858,440 0.302,441 4.901,442 0.189,443 0.04,445 0.34,449 0.615,450 1.039,451 0.629,452 0.838,453 0.702,454 0.783,455 0.988,456 1.141,457 0.745,458 0.881,459 0.818,460 0.768,461 1.042,462 1.082,463 1.18,464 1.142,465 1.017,466 1.009,467 1,468 1.017,469 1.064,470 1.032,471 1.052,472 1.045,473 1.069,474 1.017,475 1.152,476 1.053,477 0.899,478 0.919,479 1.42,480 1.177,481 1.184,482 1.028,483 1.244,484 0.92,485 1.116,486 0.875,487 1.305,488 1.113,489 1.117,490 0.948,491 0.776,492 0.967,493 0.732,494 0.886,495 0.759,496 1.003,497 5,498 0.094,499 2.889,500 1.389,501 1.254,502 0.688,503 0.414,504 0.367,505 0.172,506 0.136,507 8952,508 24672,509 2.241,510 33.3,512 10,513 1,514 2,520 1.689,521 2.167,522 3.413,523 -0.684,525 1,528 63.315,529 1.623,530 3.654,531 4.608,532 5.163,533 5.163,534 5.163,535 2.902,536 4.393,537 4.673,538 3.537,539 1149.49,540 8.088,541 14195.1,542 1,543 1,545 1,546 206.131,547 1.142,548 4.66,549 0.167,550 0.006,551 0.067,552 0.035,553 0.037,554 0.021,555 0.013,556 0.013,557 0.007,558 0.007,559 0.373,560 0.33,561 0.88,562 0.362,563 127.048,564 0.244,565 0.012,566 0.08,567 -0.004,568 0.019,569 -0.014,570 0.005,571 -0.084,572 0.117,573 0.023,574 0.016,575 0.058,576 -0.074,577 -0.048,578 -0.074,579 -0.076,580 -0.036,581 -0.083,582 -0.051,583 -0.037,584 -0.027,585 -0.01,586 -0.09,587 -0.067,588 -0.032,589 -0.003,590 0.028,591 0.046,592 0.026,593 0.072,594 -0.303,595 -0.134,596 -0.084,597 0.003,598 -0.159,599 0.012,600 0.134,601 0.223,602 -0.18,603 -0.089,604 0.012,605 -0.055,606 0.092,607 -0.033,608 0.022,609 -0.036,610 0.198,611 -0.055,612 0.956,613 1.682,614 0.923,615 22.385,616 1.011,617 1.119,618 3.63,619 13.178,620 0.743,621 3.434,622 3.784,623 4.094,624 4.394,625 4.615,626 4.71,627 4.89,628 5.081,629 5.198,630 5.252,631 6.261,632 0.716,633 359.45,634 3.434,635 4.99,636 5.861,637 6.751,638 7.635,639 8.528,640 9.416,641 10.311,642 11.202,643 12.097,644 17.9,652 2,654 5,656 3,657 10,658 5,662 4,663 1,664 26,679 39,680 26,681 1,682 30,684 43,685 18,686 17,687 3,688 3,690 5,691 7,702 17,703 1,714 1,715 1,718 13,719 5,721 8,722 1,726 7,729 0.6,737 1,738 1,739 1,744 2,745 3,748 1,749 1,766 3,767 1,768 1,770 1,774 26,783 1,792 1,801 12,802 7.65,803 5.528,804 2.223,805 5.042,806 1.628,807 1.066,808 3.61,809 13.074,810 3.784,811 4.489,812 5.169,813 5.831,814 6.377,815 6.764,816 7.269,817 7.785,818 8.185,819 8.5,820 1,821 40,822 9.512,823 4.091,824 7.596,825 18.24,826 15.124,827 2.096,828 54.5,832 153.024,833 148.71,834 86.378,838 32.22,839 116.491,840 153.024,841 86.378,842 8.396,844 75.381,845 108.695,846 33.939,847 11.771,848 149.931,850 153.024,851 202.869,853 32.22,855 153.024,858 28.345,859 91.087,860 83.438,861 32.22,862 153.024,863 86.378,864 148.71,867 153.024,868 46.838,869 104.813,871 83.438,872 153.024,873 86.378,874 148.71,876 0.588,877 0.346,878 0.192,879 0.103,880 24,881 9,882 0.07,883 3,884 2,885 1.167,886 3.943,887 230.999,888 0.167,889 24,890 122.211,891 1,894 15.354,895 6.114,896 2.841,897 2.776,898 83.438,899 19.487,900 21.742,904 3.563,905 1.756,907 388.113,908 43,916 39.44,917 43.654,918 0.307,919 0.691,920 0.872,921 0.977,922 0.977,923 0.977,924 5.007,925 1.406,926 5.844,927 4.36,928 4.466,929 5.176,930 2.913,931 6.661,932 4.357,933 6.246,934 1.365,935 7.399,936 3.804,937 4.007,938 5.007,940 7.526,941 3.828,942 7.569,943 1.15,944 9.051,945 3.15,946 6.066,947 7.503,948 5.027,949 10.631,950 5.852,951 8.931,952 0.761,953 10.76,954 2.982,955 6.447,956 8.204,958 12.335,959 6.163,960 10.325,961 0.694,962 12.506,963 1.789,964 7.946,965 10.116,966 7.185,967 14.928,968 7.63,969 11.741,970 0.612,971 14.278,972 1.65,973 8.715,974 11.23,976 16.978,977 8.334,978 13.175,979 -0.029,980 16.068,981 1.499,982 9.983,983 12.897,984 9.348,985 19.391,986 9.567,987 3.134,988 -0.485,989 17.872,990 -0.079,991 10.935,992 14.21,994 21.589,995 10.457,996 2.922,997 10.474,998 19.686,999 -1.219,1000 12.108,1001 15.772,1002 11.511,1003 23.938,1004 11.588,1005 2.813,1006 9.236,1007 21.509,1008 4.523,1009 13.145,1010 17.177,1012 26.203,1013 12.565,1014 2.328,1015 9.027,1016 23.339,1017 4.334,1018 14.28,1019 18.695,1020 13.675,1021 28.531,1022 13.652,1023 2.17,1024 6.992,1025 25.174,1026 3.852,1027 15.358,1028 20.145,1030 30.827,1031 14.671,1032 1.824,1033 6.072,1034 27.013,1035 3.121,1036 16.479,1037 21.646,1038 15.838,1039 33.151,1040 15.74,1041 1.618,1042 5.519,1043 28.856,1044 2.971,1045 17.577,1046 23.117,1048 35.464,1049 16.779,1050 8108,1051 13651,1052 20.978,1053 28.972,1054 46.04,1055 48.245,1056 46.067,1057 45.693,1058 45.596,1059 65.145,1060 5.9,1061 133.108,1062 43.118,1063 5.351,1064 6.573,1065 6.262,1066 5.224,1067 5.134,1068 7.523,1069 5.9,1070 17.234,1071 4.934,1072 6.8,1073 1.535,1074 1.608,1075 1.536,1076 1.523,1077 1.52,1078 2.172,1079 0.197,1080 4.437,1081 1.437,1082 4.118,1083 4.169,1084 4.196,1085 4.02,1086 5.211,1087 4.015,1088 4.029,1089 4.063,1090 4,1091 3.894,1092 4.988,1093 3.92,1094 3.863,1095 3.934,1096 3.851,1097 3.65,1098 4.941,1099 3.678,1100 3.454,1101 3.49,1102 3.584,1103 3.402,1104 4.449,1105 3.371,1106 3.268,1107 3.333,1108 3.218,1109 3.119,1110 4.346,1111 3.113,1112 3.032,1113 3.114,1114 3.007,1115 2.894,1116 3.96,1117 2.876,1118 2.979,1119 3.043,1120 2.85,1121 2.822,1122 3.908,1123 2.812,1124 2.742,1125 2.825,1126 2.736,1127 2.633,1128 3.743,1129 2.6,1130 0.153,1131 0.152,1132 0.219,1133 0.135,1134 0.104,1135 4.578,1136 0.151,1137 4.573,1138 0.098,1139 6.574,1140 0.349,1141 4.062,1142 0.098,1143 3.134,1144 4.523,1145 2.95,1146 10.474,1147 2.934,1148 2.027,1149 2.006,1150 2.094,1151 2.104,1152 1.213,1153 2.107,1154 1.863,1155 1.823,1156 1.926,1157 2.038,1158 1.02,1159 2.006,1160 1.502,1161 1.446,1162 1.724,1163 1.802,1164 0.777,1165 1.778,1166 1.461,1167 1.412,1168 1.599,1169 1.568,1170 0.671,1171 1.593,1172 1.347,1173 1.286,1174 1.482,1175 1.508,1176 0.568,1177 1.502,1178 1.169,1179 1.121,1180 1.196,1181 1.422,1182 0.305,1183 1.375,1184 0.962,1185 0.904,1186 1.125,1187 1.141,1188 0.204,1189 1.158,1190 0.772,1191 0.695,1192 1.076,1193 1.06,1194 0.049,1195 1.081,1196 4.111,1198 5.451,1199 3.045,1200 6.98,1201 5.352,1202 8.594,1203 7.391,1204 10.254,1206 1.886,1215 1.526,1222 27.917,1223 63.315,1224 142.505,1225 179.724,1226 201.376,1227 201.376,1228 201.376,1229 26.188,1230 8.031,1231 73.79,1232 99.09,1233 28,1234 12.623,1235 4.755,1236 3.807,1237 33.97,1238 97,1239 93,1240 0.169,1241 172.955,1242 270.13,1243 413.771,1244 36896,1246 17.51,1247 0.673,1248 0.563,1249 17.863,1250 14.629,1251 12.759,1252 0.425,1253 0.294,1254 7.949,1255 11.793,1256 7.697,1257 6.39,1258 13.167,1259 8.82,1260 11.732,1261 0.273,1262 0.16,1263 12.401,1264 6.874,1265 10.289,1266 0.174,1267 0.084,1268 11.046,1269 4.945,1270 8.893,1271 0.111,1272 0.045,1273 9.73,1274 3.598,1275 7.233,1276 0.072,1277 0.025,1278 8.181,1279 2.526,1280 0.266,1281 84.097,1282 0.218,1283 25.09,1284 0.465,1285 146,1286 422.376,1287 186.279,1288 439.426,1289 624.83,1290 414,1291 175,1292 478.65,1293 213.339,1294 498.75,1295 729.05,1296 469,1297 5}
{0 CHEMBL1241674,1 1.606,2 8.043,3 2.744,4 7.527,5 89.221,6 7.907,7 0.769,8 3.809,9 3.94,10 3.427,11 3.316,12 4.998,13 3.326,14 4.295,15 4.466,16 3.836,17 3.718,18 5.44,19 3.717,20 4.504,21 4.699,22 3.871,23 3.811,24 5.636,25 3.793,26 4.592,27 4.824,28 3.845,29 3.812,30 5.701,31 3.771,32 4.484,33 4.702,34 3.686,35 3.731,36 5.562,37 3.674,38 4.411,39 4.62,40 3.621,41 3.669,42 5.521,43 3.617,44 4.498,45 4.765,46 3.399,47 3.616,48 5.519,49 3.508,50 4.324,51 4.618,52 3.148,53 3.372,54 5.26,55 3.239,56 0.1,57 0.657,58 7.475,59 2.975,60 11.951,61 3.847,62 0.171,63 1.031,64 13.36,65 5.062,66 18.42,67 6.93,68 0.28,69 1.193,70 17.675,71 5.714,72 26.54,73 7.973,74 0.4,75 1.242,76 20.893,77 6.472,78 37.848,79 9.343,80 0.359,81 1.111,82 18.105,83 5.797,84 31.978,85 8.239,86 0.224,87 1.06,88 16.204,89 5.097,90 27.427,91 7.339,92 0.372,93 1.019,94 20.418,95 5.868,96 41.837,97 8.859,98 0.277,99 0.775,100 18.592,101 5.846,102 29.432,103 8.887,104 18,105 39,106 0.282,107 0.702,108 0.803,109 0.839,110 0.839,111 0.839,112 3.19,113 0.848,114 -4.06,115 -4.01,116 -3.79,118 41,119 2,125 1,136 4,137 2,138 1,140 1,141 1,142 1,146 2,152 1,154 1,155 1,156 1,157 1,161 3,163 2,164 6,165 1,166 1,168 6,169 4,171 1,172 1,173 3,175 1,177 5,179 4,182 2,183 4,184 3,185 4,187 1,189 4,193 5,195 2,196 2,197 1,199 1,200 2,201 1,203 7,207 5,208 3,209 3,211 5,214 1,216 3,217 2,218 2,220 2,222 1,224 1,226 4,227 1,231 2,232 1,234 1,235 2,238 675,239 15.378,240 15.378,241 15.378,242 15.378,243 15.378,244 13.109,245 11.643,246 8.753,247 15.732,248 12.838,249 12.838,250 12.838,251 12.838,252 12.838,253 9.309,254 8.663,255 4.155,256 13.432,257 3.68,258 1.282,259 0.705,260 0.5,261 0.5,262 0.5,263 3.883,265 1,266 1,267 1,268 405,269 2.739,271 79.825,272 106.169,275 156.45,279 1.18,280 21.386,281 1,282 1,283 1,284 1,285 1,286 0.6,288 1,289 1,290 0.8,291 50,292 185,293 4.771,294 3.382,295 7.042,296 4.309,297 3.347,298 4.748,300 12.1,301 3.22,302 4.463,303 3.022,304 6.332,305 3.962,306 2.989,307 4.406,309 9.716,310 2.907,311 3.836,312 2.672,313 6.055,314 3.501,315 2.546,316 3.272,318 8.473,319 2.426,320 3.744,321 2.507,322 5.668,323 3.321,324 2.369,325 3.18,327 7.328,328 2.252,329 3.449,330 2.19,331 4.963,332 3.001,333 2.053,334 2.816,336 5.799,337 1.939,338 3.037,339 1.815,340 4.818,341 2.681,342 1.741,343 2.303,345 4.817,346 1.633,347 3.02,348 1.535,349 4.427,350 2.519,351 1.535,352 2.158,354 4.303,355 1.51,356 2.891,357 1.421,358 4.369,359 2.346,360 1.412,361 2.066,363 3.836,364 1.315,365 2.468,366 1.019,367 3.854,368 1.967,369 1.015,370 1.454,372 2.718,373 0.964,374 2.109,375 0.819,376 3.482,377 1.728,378 0.777,379 1.003,381 1.991,382 0.737,383 1.944,384 0.536,385 3.159,386 1.432,387 0.468,388 0.683,389 1.177,390 0.449,391 1.061,392 -0.116,393 2.632,394 0.628,395 -0.288,396 -0.366,397 -0.674,398 -0.263,399 0.955,400 -0.167,401 2.421,402 0.521,403 -0.413,404 -0.534,405 -1.055,406 -0.38,407 0.697,408 -0.7,409 2.353,410 0.216,411 -0.728,412 -0.999,413 -2,414 -0.685,415 0.591,416 -0.825,417 2.252,418 0.087,419 -0.876,420 -1,421 -2.119,422 -0.837,423 10.733,424 0.467,425 0.716,426 0.031,427 32.75,428 1.424,429 17,430 0.739,431 15.75,432 0.685,433 16.793,434 0.73,435 24.067,436 0.617,437 22.778,438 0.99,439 6.282,440 0.273,441 4.76,442 0.207,443 0.161,445 0.457,449 1.009,450 1.225,451 0.768,452 0.935,453 1.097,454 0.83,455 0.707,456 1.175,457 0.646,458 0.946,459 0.518,460 0.808,461 1.125,462 1.194,463 0.951,464 0.996,465 0.924,466 0.947,467 0.89,468 0.927,469 0.911,470 0.904,471 0.813,472 0.903,473 0.975,474 0.991,475 1.113,476 1.034,477 0.84,478 1.079,479 1.131,480 1.349,481 1.193,482 1.211,483 1.004,484 1.199,485 1.029,486 0.872,487 1.191,488 0.955,489 0.928,490 1.057,491 0.691,492 0.823,493 0.841,494 0.918,495 0.8,496 0.906,497 5,498 0.012,499 2.889,500 2.333,501 1.932,502 0.674,503 0.671,504 0.317,505 0.24,506 0.119,507 5166,508 14062,509 2.115,510 41,512 5,514 1,515 4,517 6,520 1.663,521 1.944,522 3.012,523 1.865,524 1,525 1,526 1,528 62.621,529 1.606,530 4.003,531 4.58,532 4.785,533 4.785,534 4.785,535 2.442,536 4.263,537 4.496,538 3.132,539 792.445,540 7.772,541 8611.62,542 1,543 1,544 1,545 1,546 206.131,547 1.491,548 4.44,549 0.192,550 0.004,551 0.074,552 0.06,553 0.052,554 0.022,555 0.023,556 0.014,557 0.014,558 0.012,559 0.468,560 0.33,561 1,562 0.832,563 104.624,564 -0.111,565 -0.032,566 0.025,567 0.064,568 -0.225,569 0.065,570 0.103,571 -0.053,572 0.205,573 0.049,574 0.142,575 0.127,576 -0.131,577 -0.114,578 -0.044,579 -0.045,580 -0.067,581 -0.033,582 0.063,583 0.101,584 0.052,585 0.033,586 0.026,587 0.036,588 -0.032,589 0.056,590 -0.18,591 -0.087,592 -0.034,593 -0.147,594 -0.247,595 -0.282,596 -0.286,597 -0.269,598 -0.174,599 -0.279,600 -0.146,601 0.08,602 -0.184,603 -0.011,604 -0.093,605 -0.078,606 0.143,607 -0.007,608 0.231,609 0.096,610 0.112,611 0.171,612 1.441,613 3.629,614 0.783,615 16.246,616 1.009,617 1.135,618 2.827,619 7.994,620 0.674,621 3.296,622 3.689,623 4.025,624 4.382,625 4.644,626 4.804,627 4.942,628 5.124,629 5.136,630 5.187,631 4.958,632 0.653,633 308.38,634 3.296,635 4.875,636 5.765,637 6.688,638 7.602,639 8.531,640 9.454,641 10.385,642 11.312,643 12.245,644 15.4,648 1,652 2,654 3,656 4,657 5,658 3,659 1,662 4,663 1,664 20,673 1,676 1,679 39,680 20,681 1,682 26,684 42,685 16,686 13,687 3,688 3,690 4,691 6,694 2,700 1,702 13,703 3,714 1,715 1,718 16,719 5,720 4,721 7,726 6,729 0.5,730 1,737 1,740 1,741 1,744 2,745 2,748 2,766 2,770 2,774 23,775 1,779 1,784 1,795 2.6,797 1,801 11.833,802 7.583,803 4.861,804 2.289,805 4.053,806 1.54,807 1.016,808 3.112,809 11.553,810 3.611,811 4.35,812 5.075,813 5.798,814 6.388,815 6.861,816 7.364,817 7.905,818 8.215,819 8.637,820 1,821 39,822 8.444,823 3.687,824 7.768,825 15.992,826 13.421,827 2.268,828 52.167,832 141.253,833 81.021,834 101.693,836 42.683,839 81.021,840 183.937,841 101.693,842 17.65,844 70.802,845 106.404,846 35.083,847 7.229,848 129.482,850 141.253,851 182.714,852 42.683,855 70.627,856 113.31,858 49.303,859 83.177,860 50.234,862 141.253,863 144.377,864 81.021,867 141.253,868 16.847,869 65.951,870 16.786,871 125.815,872 141.253,873 144.377,874 81.021,876 0.6,877 0.356,878 0.204,879 0.118,880 22,881 10,882 0.048,883 2,884 2,885 1.222,886 3.409,887 201.251,888 0.222,889 18,890 102.042,894 14.182,895 5.047,896 2.186,897 3.268,898 125.815,899 8.566,900 13.105,901 3.313,904 2.154,905 1.839,906 92.366,907 366.651,908 36,916 39.356,917 44.275,918 0.304,919 0.757,920 0.867,921 0.905,922 0.905,923 0.905,924 4.868,925 1.412,926 5.79,927 4.303,928 4.369,929 5.037,931 6.681,932 4.284,933 6.134,934 1.015,935 7.398,936 3.836,937 4.111,938 5.047,940 7.716,941 3.989,942 7.486,943 0.777,944 9.105,945 2.718,946 6.038,947 7.423,949 10.871,950 5.878,951 8.878,952 0.468,953 10.869,954 1.991,955 6.581,956 8.274,958 12.752,959 6.386,960 10.302,961 -0.288,962 12.669,963 1.177,964 8.023,965 10.135,967 15.44,968 7.795,969 11.752,970 -0.413,971 14.496,972 -0.674,973 8.923,974 11.371,976 17.672,977 8.66,978 13.221,979 -0.728,980 16.344,981 -1.055,982 10.19,983 13.031,985 20.211,986 9.893,987 3.347,988 -0.876,989 18.206,990 -2,991 11.251,992 14.44,994 22.59,995 10.917,996 2.989,997 12.1,998 20.081,999 -2.119,1000 12.456,1001 16.023,1003 25.084,1004 12.089,1005 2.546,1006 9.716,1007 21.967,1008 4.748,1009 13.588,1010 17.507,1012 27.524,1013 13.182,1014 2.369,1015 8.473,1016 23.861,1017 4.406,1018 14.777,1019 19.061,1021 30.009,1022 14.335,1023 2.053,1024 7.328,1025 25.762,1026 3.272,1027 15.94,1028 20.577,1030 32.475,1031 15.461,1032 1.741,1033 5.799,1034 27.67,1035 3.18,1036 17.127,1037 22.121,1039 34.96,1040 16.61,1041 1.535,1042 4.817,1043 29.583,1044 2.816,1045 18.306,1046 23.652,1048 37.439,1049 17.751,1050 4956,1051 8299,1052 17.224,1053 26.296,1054 40.999,1055 40.431,1056 42.338,1057 40.548,1058 40.5,1059 56.182,1061 124.515,1062 38.702,1063 5.46,1064 5.382,1065 6.57,1066 5.382,1067 5.347,1068 7.748,1070 19.606,1071 5.22,1072 11.774,1073 1.577,1074 1.555,1075 1.628,1076 1.56,1077 1.558,1078 2.161,1080 4.789,1081 1.489,1082 4.187,1083 4.228,1084 4.164,1085 4.072,1086 6.471,1087 4.088,1088 4.008,1089 4.051,1090 3.978,1091 3.866,1092 5.26,1093 3.891,1094 3.578,1095 3.655,1096 3.445,1097 3.413,1098 4.947,1099 3.404,1100 3.437,1101 3.48,1102 3.372,1103 3.277,1104 4.811,1105 3.295,1106 3.135,1107 3.228,1108 3.032,1109 2.876,1110 4.494,1111 2.909,1112 2.985,1113 3.09,1114 2.868,1115 2.816,1116 4.14,1117 2.815,1118 2.954,1119 3.013,1120 2.829,1121 2.676,1122 3.985,1123 2.714,1124 2.874,1125 3.009,1126 2.499,1127 2.618,1128 3.737,1129 2.57,1130 0.183,1131 0.13,1132 0.271,1133 0.166,1134 0.129,1135 4.771,1136 0.183,1137 3.382,1139 7.042,1140 0.465,1141 4.309,1142 0.124,1143 3.347,1144 4.748,1146 12.1,1147 3.22,1148 1.919,1149 1.9,1150 2.002,1151 2.028,1152 1.148,1153 2.009,1154 1.846,1155 1.808,1156 1.95,1157 2.01,1158 1.126,1159 1.998,1160 1.68,1161 1.615,1162 1.839,1163 1.885,1164 0.961,1165 1.876,1166 1.458,1167 1.397,1168 1.595,1169 1.669,1170 0.625,1171 1.659,1172 1.021,1173 0.979,1174 1.417,1175 1.35,1176 0.469,1177 1.322,1178 1.003,1179 0.929,1180 1.218,1181 1.24,1182 0.246,1183 1.308,1184 0.934,1185 0.804,1186 1.184,1187 1.239,1188 0.15,1189 1.221,1190 0.828,1191 0.75,1192 1.087,1193 1.146,1194 0.04,1195 1.131,1196 3.97,1198 5.342,1199 3.045,1200 6.903,1201 5.476,1202 8.554,1203 7.662,1204 10.254,1206 4.079,1210 6.068,1211 9.629,1216 0.147,1222 25.477,1223 62.621,1224 156.115,1225 178.621,1226 186.621,1227 186.621,1228 186.621,1229 31.186,1230 7.5,1231 105.64,1232 105.64,1233 22,1234 12.746,1235 4.392,1236 3.459,1237 31.647,1238 67,1239 72,1240 0.236,1241 156.017,1242 245.99,1243 372.442,1244 16600,1246 16.137,1247 0.702,1248 0.556,1249 16.137,1250 12.778,1251 11.042,1252 0.425,1253 0.283,1254 7.241,1255 10.585,1256 7.031,1257 5.859,1258 11.042,1259 7.351,1260 10.627,1261 0.272,1262 0.149,1263 10.627,1264 5.799,1265 9.012,1266 0.164,1267 0.07,1268 9.012,1269 3.867,1270 8.025,1271 0.102,1272 0.035,1273 8.025,1274 2.792,1275 6.688,1276 0.065,1277 0.018,1278 6.688,1279 1.9,1280 0.354,1281 69.379,1282 0.241,1283 21.866,1284 0.703,1285 130,1286 360.375,1287 143.594,1288 357.391,1289 505.68,1290 334,1291 159,1292 399.577,1293 173.65,1294 404.341,1295 597.49,1296 381,1297 5}
{0 CHEMBL124660,1 1.513,2 18.659,3 4.674,4 21.849,5 160.828,6 6.781,7 0.378,8 4.504,9 4.634,10 3.996,11 3.959,12 5.494,13 3.939,14 5.097,15 5.3,16 4.334,17 4.349,18 6.041,19 4.305,20 5.358,21 5.586,22 4.406,23 4.521,24 6.247,25 4.445,26 5.406,27 5.651,28 4.362,29 4.536,30 6.305,31 4.436,32 5.403,33 5.647,34 4.34,35 4.538,36 6.32,37 4.425,38 5.395,39 5.648,40 4.265,41 4.494,42 6.233,43 4.371,44 5.334,45 5.596,46 4.214,47 4.386,48 6.216,49 4.276,50 5.196,51 5.433,52 4.174,53 4.308,54 6.094,55 4.223,56 0.024,57 1.222,58 19.498,59 7.398,60 11.437,61 10.634,62 0.525,63 1.928,64 37.858,65 11.851,66 41.638,67 17.627,68 0.686,69 2.317,70 49.892,71 15.383,72 52.388,73 23.063,74 0.658,75 2.371,76 52.334,77 16.533,78 64.144,79 24.92,80 0.805,81 2.338,82 52.247,83 17.276,84 75.439,85 25.516,86 0.566,87 2.283,88 51.688,89 16.851,90 57.591,91 25.38,92 0.884,93 2.115,94 49.652,95 14.519,96 73.048,97 22.414,98 0.548,99 1.914,100 42.617,101 12.756,102 48.867,103 19.345,104 22,105 61,106 0.229,107 0.508,108 0.715,109 0.799,110 0.824,111 0.824,112 3.741,113 0.984,114 -4.15,115 -4.09,116 -3.87,118 37.3,119 2,120 4,123 1,124 8,125 1,136 6,137 1,138 4,140 1,141 1,142 1,150 1,161 5,163 3,164 14,166 2,168 2,169 5,172 2,173 9,177 2,179 3,182 3,183 7,189 7,192 5,193 6,195 2,200 6,202 2,203 5,208 1,210 5,211 6,214 1,216 3,219 2,220 6,224 1,226 2,228 2,229 9,231 1,233 1,235 5,238 4089,239 28.093,240 28.093,241 28.093,242 28.093,243 28.093,244 26.004,245 40.814,246 16.851,247 29.056,248 22.201,249 22.201,250 22.201,251 22.201,252 22.201,253 18.876,254 55.107,255 7.968,256 23.635,257 4.862,258 3.028,259 1.661,260 1.106,261 0.943,262 0.943,263 4.448,267 1,268 1652,269 4.243,272 695.423,276 211.342,279 3.243,280 34.55,283 0.75,284 0.5,285 0.67,286 0.9,287 1,288 0.83,289 1,290 0.81,291 89,292 765,293 4.597,294 3.691,295 6.725,296 4.143,297 3.185,298 4.523,299 1.701,300 10.984,301 3.055,302 4.109,303 3.34,304 6.149,305 3.813,306 2.87,307 3.657,308 0.86,309 9.064,310 2.704,311 4.049,312 3.106,313 6.048,314 3.678,315 2.742,316 3.525,317 0.86,318 8.686,319 2.559,320 3.9,321 3.011,322 5.661,323 3.565,324 2.625,325 3.129,326 0.86,327 7.513,328 2.462,329 3.607,330 2.831,331 5.519,332 3.449,333 2.521,334 2.934,335 0.8,336 7.362,337 2.34,338 3.521,339 2.595,340 5.34,341 3.274,342 2.342,343 2.714,344 0.8,345 6.965,346 2.172,347 3.477,348 2.499,349 5.196,350 3.164,351 2.227,352 2.522,353 0.563,354 6.538,355 2.072,356 3.141,357 2.307,358 4.801,359 2.813,360 1.861,361 2.334,362 0.075,363 5.225,364 1.765,365 2.983,366 2.195,367 4.415,368 2.75,369 1.812,370 2.051,372 4.53,373 1.695,374 2.903,375 2.029,376 4.351,377 2.604,378 1.629,379 1.997,381 4.046,382 1.585,383 2.731,384 1.7,385 4.024,386 2.446,387 1.497,388 1.753,389 3.39,390 1.41,391 2.589,392 1.559,393 3.882,394 2.307,395 1.387,396 1.584,397 3.134,398 1.271,399 2.5,400 1.464,401 3.7,402 2.196,403 1.237,404 1.5,405 3.119,406 1.174,407 2.401,408 1.376,409 3.447,410 2.002,411 1.073,412 1.366,413 2.578,414 1,415 2.252,416 1.146,417 3.414,418 2,419 1,420 1.214,421 2.275,422 0.988,423 19.233,424 0.469,425 0.848,426 0.021,427 48,428 1.171,429 20,430 0.488,431 28,432 0.683,433 42.849,434 1.045,435 46.767,436 0.563,437 39.363,438 0.96,439 9.074,440 0.221,441 10.921,442 0.266,443 0.095,445 0.296,449 0.859,450 1.654,451 0.862,452 1.349,453 0.646,454 1.137,455 1.143,456 1.073,457 0.965,458 0.977,459 0.664,460 0.94,461 1.237,462 1.063,463 1.021,464 0.975,465 0.934,466 0.963,467 1.054,468 1.046,469 1.003,470 1.02,471 1.244,472 1.003,473 0.931,474 0.993,475 1.003,476 1.042,477 1.335,478 1.041,479 0.939,480 1.151,481 0.99,482 1.117,483 0.935,484 1.075,485 1.054,486 0.941,487 0.995,488 0.917,489 0.839,490 0.94,491 1.264,492 1.094,493 1.064,494 1.036,495 1.092,496 1.018,497 7.5,498 0.264,499 4,500 2.125,501 2.293,502 1.25,503 0.926,504 0.63,505 0.448,506 0.345,507 33017,508 72394,509 2.105,510 50.6,511 2,512 26,514 1,515 1,517 10,518 2,520 1.801,521 2,522 4.128,523 -0.376,528 125.561,529 1.513,530 3.347,531 4.714,532 5.269,533 5.432,534 5.432,535 3.647,536 4.87,537 5.318,538 4.34,539 3558.6,540 9.376,541 67410.3,546 529.128,547 1.282,548 5.302,549 0.167,550 0.006,551 0.066,552 0.033,553 0.038,554 0.022,555 0.017,556 0.013,557 0.009,558 0.007,559 0.377,560 0.33,561 0.63,562 0.801,563 239.147,564 -0.005,565 -0.347,566 0.084,567 -0.165,568 0.016,569 -0.047,571 0.083,572 0.041,573 0.044,574 0.121,575 0.049,576 -0.077,577 -0.008,578 -0.013,579 0.026,580 -0.003,581 0.019,582 -0.031,583 -0.02,584 -0.011,585 -0.023,586 -0.028,587 -0.015,588 0.082,589 0.019,590 -0.017,591 -0.03,592 -0.033,593 -0.042,594 0.006,595 -0.165,596 -0.012,597 -0.109,598 -0.047,599 -0.072,600 0.064,601 0.046,602 0.017,603 0.029,604 0.065,605 0.017,606 -0.094,607 -0.057,608 -0.052,609 -0.058,610 -0.065,611 -0.048,612 1.779,613 5.911,614 0.683,615 71.748,616 0.998,617 1.136,618 2.92,619 8.526,620 0.633,621 3.829,622 4.127,623 4.382,624 4.635,625 4.89,626 4.956,627 5.13,628 5.252,629 5.375,630 5.464,631 10.427,632 0.596,633 562.79,634 3.829,635 5.361,636 6.201,637 7.066,638 7.923,639 8.794,640 9.661,641 10.537,642 11.41,643 12.29,644 7.2,647 1,650 1,651 2,654 2,656 2,657 7,658 2,662 5,664 17,675 1,677 3,679 83,680 18,681 2,682 45,684 87,685 31,686 14,687 6,688 6,690 5,691 6,693 1,694 2,697 3,700 5,702 15,703 16,706 1,709 1,712 1,718 42,719 10,720 1,721 10,726 6,729 0.8,730 4,740 1,745 5,749 1,763 1,766 4,770 3,774 41,780 12,781 1,782 3,784 1,785 3,795 4.8,798 1,800 3,801 20.5,802 15.583,803 9.139,804 5.374,805 3.332,806 1.377,807 0.964,808 10.415,809 12.159,810 4.016,811 4.543,812 5.077,813 5.637,814 6.214,815 6.493,816 6.88,817 7.216,818 7.519,819 7.579,820 0.923,821 64,822 15.239,823 6.347,824 7.565,825 29.822,826 24.38,827 2.065,828 84.667,832 482.615,833 153.288,834 60.955,836 58.145,839 153.288,840 540.76,841 60.955,842 28.533,843 50.606,844 56.857,845 70.487,846 71.071,847 6.604,848 470.844,850 482.615,851 214.243,852 58.145,855 341.362,856 199.398,858 82.143,859 98.529,860 33.571,862 482.615,863 119.099,864 153.288,867 482.615,868 59.278,869 103.382,870 18.011,871 91.716,872 482.615,873 119.099,874 153.288,876 0.571,877 0.328,878 0.18,879 0.1,880 27,881 12,882 0.115,883 10,884 1,885 1.071,886 5.231,887 395.481,888 0.071,889 28,890 205.66,894 29.679,895 14.388,896 7.936,897 1.721,898 119.099,899 12.966,900 9.132,904 3.743,906 18.011,907 755.002,908 54.5,911 12.911,914 -0.113,916 82.825,917 94.301,918 0.237,919 0.525,920 0.74,921 0.827,922 0.852,923 0.852,924 5.259,925 1.861,926 6.163,927 6.538,928 4.812,929 5.231,930 2.549,931 6.938,932 4.694,933 6.417,934 1.812,935 7.696,936 5.225,937 4.29,938 4.977,939 1.494,940 7.766,941 4.108,942 7.699,943 1.629,944 9.328,945 4.53,946 6.368,947 7.35,948 2.805,949 10.856,950 6.134,951 9.014,952 1.497,953 11.02,954 4.046,955 6.673,956 7.967,957 2.523,958 12.537,959 6.376,960 10.367,961 1.387,962 12.752,963 3.39,964 8.193,965 9.83,966 3.483,967 15.139,968 7.854,969 11.744,970 1.237,971 14.513,972 3.134,973 8.899,974 10.877,975 3.619,976 17.193,977 8.503,978 13.142,979 1.073,980 16.294,981 3.119,982 10.179,983 12.529,984 4.385,985 19.632,986 9.745,987 3.185,988 1,989 18.092,990 2.578,991 11.09,992 13.8,993 4.719,994 21.859,995 10.606,996 2.87,997 10.984,998 19.903,999 2.275,1000 12.267,1001 15.361,1002 5.379,1003 24.249,1004 11.748,1005 2.742,1006 9.064,1007 21.724,1008 4.523,1009 13.283,1010 16.747,1011 5.808,1012 26.558,1013 12.72,1014 2.625,1015 8.686,1016 23.555,1017 3.657,1018 14.421,1019 18.27,1020 6.411,1021 28.936,1022 13.822,1023 2.521,1024 7.513,1025 25.394,1026 3.525,1027 15.492,1028 19.716,1029 6.887,1030 31.285,1031 14.852,1032 2.342,1033 7.362,1034 27.239,1035 3.129,1036 16.618,1037 21.225,1038 7.458,1039 33.664,1040 15.943,1041 2.227,1042 6.965,1043 29.091,1044 2.934,1045 17.719,1046 22.701,1047 7.96,1048 36.034,1049 17.005,1050 31085,1051 46350,1052 30.512,1053 52.557,1054 66.4,1055 67.816,1056 67.682,1057 66.189,1058 66.184,1059 80.073,1060 13.04,1061 184.219,1062 62.35,1063 5.597,1064 5.691,1065 6.527,1066 5.225,1067 5.185,1068 7.523,1069 2.972,1070 18.176,1071 5.055,1072 18.625,1073 1.476,1074 1.507,1075 1.504,1076 1.471,1077 1.471,1078 1.779,1079 0.29,1080 4.094,1081 1.386,1082 4.087,1083 4.12,1084 4.057,1085 3.977,1086 7.429,1087 3.992,1088 3.933,1089 3.964,1090 3.876,1091 3.834,1092 5.092,1093 3.838,1094 3.859,1095 3.928,1096 3.725,1097 3.701,1098 4.861,1099 3.696,1100 3.786,1101 3.843,1102 3.695,1103 3.589,1104 4.754,1105 3.606,1106 3.59,1107 3.651,1108 3.478,1109 3.414,1110 4.473,1111 3.406,1112 3.571,1113 3.63,1114 3.419,1115 3.398,1116 4.427,1117 3.393,1118 3.439,1119 3.488,1120 3.317,1121 3.221,1122 4.333,1123 3.25,1124 3.299,1125 3.351,1126 3.216,1127 3.02,1128 4.286,1129 3.065,1130 0.102,1131 0.082,1132 0.149,1133 0.092,1134 0.071,1135 4.597,1136 0.101,1137 3.691,1138 0.038,1139 6.725,1140 0.244,1141 4.143,1142 0.068,1143 3.185,1144 4.523,1145 1.701,1146 10.984,1147 3.055,1148 2.006,1149 1.984,1150 2.072,1151 2.138,1152 1.418,1153 2.118,1154 1.888,1155 1.863,1156 2.058,1157 2.029,1158 1.299,1159 2.043,1160 1.836,1161 1.77,1162 1.999,1163 2.017,1164 1.175,1165 2.011,1166 1.731,1167 1.667,1168 1.921,1169 1.94,1170 1.125,1171 1.938,1172 1.581,1173 1.517,1174 1.863,1175 1.787,1176 1.094,1177 1.813,1178 1.558,1179 1.496,1180 1.828,1181 1.762,1182 1.013,1183 1.785,1184 1.345,1185 1.3,1186 1.59,1187 1.616,1188 0.825,1189 1.6,1190 1.175,1191 1.12,1192 1.513,1193 1.484,1194 0.825,1195 1.456,1196 4.511,1198 5.814,1200 7.314,1202 8.905,1204 10.546,1206 5.633,1212 11.506,1213 2.991,1214 17.52,1216 0.106,1217 6.549,1222 49.47,1223 125.561,1224 277.832,1225 391.296,1226 437.354,1227 450.864,1228 450.864,1229 74.498,1230 8.828,1231 92.29,1232 92.29,1233 30,1234 12.828,1235 4.248,1236 3.392,1237 66.785,1238 251,1239 273,1240 0.125,1241 301.57,1242 527.76,1243 727.591,1244 110217,1246 28.606,1247 0.698,1248 0.597,1249 28.606,1250 24.473,1251 19.996,1252 0.444,1253 0.328,1254 14.497,1255 19.002,1256 14.139,1257 11.709,1258 19.996,1259 14.754,1260 17.611,1261 0.289,1262 0.179,1263 17.611,1264 10.917,1265 14.504,1266 0.184,1267 0.096,1268 14.504,1269 7.568,1270 12.161,1271 0.119,1272 0.053,1273 12.161,1274 5.441,1275 10.068,1276 0.076,1277 0.029,1278 10.068,1279 3.85,1280 0.205,1281 126.469,1282 0.181,1283 37.724,1284 0.32,1285 212,1286 603.501,1287 237.526,1288 565.996,1289 780.93,1290 536,1291 246,1292 578.93,1293 272.114,1294 578.441,1295 848.02,1296 544,1297 5}
{0 CHEMBL1287853,1 1.604,2 16.351,3 5.318,4 28.281,5 147.876,6 7.188,7 0.45,8 4.371,9 4.497,10 4.019,11 3.889,12 5.369,13 3.842,14 4.938,15 5.128,16 4.328,17 4.271,18 6.08,19 4.207,20 5.195,21 5.411,22 4.346,23 4.419,24 6.197,25 4.302,26 5.303,27 5.572,28 4.288,29 4.382,30 6.295,31 4.254,32 5.17,33 5.392,34 4.201,35 4.294,36 6.317,37 4.214,38 5.038,39 5.252,40 4.156,41 4.306,42 6.029,43 4.205,44 5.106,45 5.353,46 4.197,47 4.337,48 6.073,49 4.205,50 5.076,51 5.315,52 4.098,53 4.27,54 6.039,55 4.136,56 0.096,57 1.121,58 19.611,59 6.83,60 18.6,61 9.228,62 0.49,63 1.759,64 33.291,65 11.432,66 69.127,67 15.683,68 0.453,69 2.131,70 45.659,71 14.336,72 62.867,73 19.753,74 0.609,75 2.129,76 58.518,77 16.676,78 88.167,79 22.658,80 0.859,81 1.86,82 44.316,83 13.074,84 119.388,85 17.925,86 0.37,87 1.832,88 35.993,89 12.133,90 53.078,91 17.495,92 0.467,93 1.916,94 39.463,95 13.852,96 57.019,97 19.972,98 0.319,99 1.843,100 41.493,101 13.165,102 49.703,103 18.833,104 40,105 57,106 0.249,107 0.563,108 0.739,109 0.802,110 0.808,111 0.808,112 3.641,113 1.052,114 -4.36,115 -4.3,116 -4.05,118 37,119 4,120 2,124 4,127 1,136 8,137 1,138 4,139 1,141 1,144 1,161 6,163 2,164 6,166 5,168 8,169 8,172 1,173 8,177 6,179 3,183 14,185 1,186 1,187 3,189 2,193 11,195 3,196 1,197 2,200 9,203 5,207 4,208 7,210 4,211 3,214 1,216 7,217 12,220 3,222 1,224 2,226 10,228 2,229 4,231 4,232 1,235 9,238 2967,239 24.159,240 24.159,241 24.159,242 24.159,243 24.159,244 21.673,245 38.907,246 14.205,247 24.832,248 19.81,249 19.81,250 19.81,251 19.81,252 19.81,253 16.019,254 60.338,255 6.843,256 20.944,257 4.586,258 2.559,259 1.429,260 1.025,261 0.987,262 0.987,263 4.33,267 1,268 1286,269 4.69,271 129.463,272 413.698,279 2.793,280 37.72,283 0.75,284 0.5,285 0.67,286 0.9,287 1,288 0.67,289 0.5,290 0.71,291 80,292 605,293 4.875,294 4.691,295 7.355,296 4.393,297 3.462,298 4.71,299 0.86,300 12.764,301 3.215,302 4.278,303 3.18,304 6.348,305 3.927,306 2.968,307 3.92,308 0.8,309 9.713,310 2.825,311 4.053,312 3.08,313 6.116,314 3.85,315 2.905,316 3.635,317 0.4,318 8.997,319 2.743,320 4.028,321 2.946,322 5.584,323 3.632,324 2.674,325 3.424,326 0.4,327 7.669,328 2.563,329 3.829,330 2.827,331 5.38,332 3.469,333 2.541,334 3.019,336 7.068,337 2.356,338 3.611,339 2.666,340 5.354,341 3.387,342 2.427,343 2.921,345 6.985,346 2.339,347 3.53,348 2.481,349 5.274,350 3.225,351 2.282,352 2.599,354 6.721,355 2.133,356 3.302,357 2.094,358 4.901,359 2.867,360 1.93,361 2.526,363 5.645,364 1.799,365 3.055,366 1.746,367 4.679,368 2.6,369 1.625,370 2.249,372 4.64,373 1.581,374 2.795,375 1.615,376 4.159,377 2.38,378 1.414,379 1.915,381 3.671,382 1.361,383 2.61,384 1.465,385 3.609,386 2.301,387 1.353,388 1.654,389 3.011,390 1.278,391 2.5,392 1.208,393 3.514,394 2.108,395 1.114,396 1.5,397 2.545,398 1.105,399 2.449,400 1.176,401 3.414,402 2,403 1,404 1.448,405 2.275,406 1,407 1.996,408 1,409 3.281,410 1.865,411 0.942,412 0.978,413 2.074,414 0.861,415 1.628,416 0.744,417 3.222,418 1.591,419 0.618,420 0.618,421 1.372,422 0.6,423 17.733,424 0.479,425 1.187,426 0.032,427 46.5,428 1.257,429 22.5,430 0.608,431 24,432 0.649,433 36.06,434 0.975,435 41.667,436 0.571,437 38.172,438 1.032,439 8.57,440 0.232,441 9.001,442 0.243,443 0.15,444 0.075,445 0.22,449 0.719,450 1.52,451 0.881,452 1.309,453 0.729,454 1.07,455 0.79,456 1.115,457 0.851,458 0.985,459 0.506,460 0.939,461 1.222,462 1.245,463 1.186,464 1.163,465 0.945,466 1.153,467 1.121,468 0.95,469 1.18,470 1.079,471 1.11,472 0.835,473 1.818,474 0.874,475 1.063,476 0.797,477 2.326,478 0.883,479 1.125,480 1.135,481 0.958,482 0.987,483 0.964,484 1.074,485 0.508,486 1.033,487 0.805,488 0.961,489 0.459,490 1.012,491 0.81,492 1.214,493 1.129,494 1.266,495 0.742,496 1.167,497 10.5,498 0.301,499 3.556,500 2.66,501 1.801,502 1.08,503 0.94,504 0.66,505 0.432,506 0.325,507 24047,508 57016,509 2.026,510 49.3,511 3,512 16,514 1,515 3,517 13,520 1.776,521 1.881,522 3.948,523 0.809,528 117.093,529 1.604,530 3.63,531 4.761,532 5.165,533 5.203,534 5.203,535 3.422,536 4.757,537 5.176,538 4.193,539 2792.67,540 9.083,541 48931,546 451.857,547 1.595,548 5.121,549 0.262,550 0.008,551 0.062,552 0.051,553 0.035,554 0.022,555 0.02,556 0.014,557 0.01,558 0.009,559 0.493,560 0.17,561 0.63,562 0.989,563 209.085,564 0.058,565 -0.223,566 0.187,567 -0.097,568 -0.15,570 0.243,571 0.031,572 0.122,573 0.041,574 0.343,575 0.055,576 -0.14,577 -0.145,578 -0.125,579 -0.124,580 -0.057,581 -0.174,582 -0.014,583 0.021,584 0.056,585 0.021,586 0.093,587 0.154,588 -0.192,589 0.098,590 -0.094,591 0.122,592 -0.238,593 0.048,594 -0.171,595 -0.069,596 -0.098,597 -0.031,598 -0.155,599 -0.082,600 0.187,601 -0.006,602 0.083,603 0.011,604 0.127,605 -0.004,606 -0.015,607 -0.164,608 -0.103,609 -0.217,610 0.012,611 -0.156,612 4.57,613 5.733,614 0.622,615 54.171,616 0.999,617 1.134,618 3.134,619 9.82,620 0.65,621 3.714,622 4.06,623 4.205,624 4.443,625 4.575,626 4.585,627 4.745,628 4.836,629 4.963,630 5.037,631 9.572,632 0.608,633 524.76,634 3.714,635 5.273,636 6.089,637 6.971,638 7.801,639 8.682,640 9.52,641 10.401,642 11.244,643 12.124,644 8.2,646 1,647 1,652 2,654 2,657 9,658 2,662 7,664 18,674 2,677 1,679 73,680 20,681 2,682 40,684 76,685 27,686 16,687 4,688 8,690 4,691 4,694 4,697 2,700 2,702 16,703 11,704 1,706 2,708 1,709 2,718 36,719 9,720 3,721 10,722 1,726 6,729 1,730 3,740 1,742 1,744 1,745 3,763 1,766 4,768 1,770 4,774 37,778 1,780 6,781 3,782 1,785 1,786 1,795 4.1,798 2,800 1,801 19.667,802 14.017,803 7.861,804 4.35,805 3.545,806 1.437,807 0.964,808 8.705,809 11.661,810 3.951,811 4.549,812 4.968,813 5.486,814 5.979,815 6.102,816 6.499,817 6.833,818 7.231,819 7.58,820 0.909,821 52,822 13.95,823 6.082,824 7.712,825 26.502,826 21.758,827 2.212,828 81.833,832 388.446,833 161.664,834 89.122,836 55.313,838 5.807,839 155.857,840 443.759,841 89.122,842 35.301,843 15.979,844 98.022,845 89.655,846 74.686,847 4.227,848 376.675,850 388.446,851 244.979,852 55.313,853 5.807,855 235.422,856 208.337,858 117.777,859 93.631,860 39.378,862 388.446,863 144.435,864 161.664,866 5.807,867 388.446,868 35.699,869 123.283,870 52.426,871 88.884,872 388.446,873 144.435,874 161.664,876 0.591,877 0.311,878 0.164,879 0.083,880 26,881 12,882 0.145,883 11,885 1,886 4.817,887 337.331,889 23,890 175.995,893 1,894 27.337,895 11.782,896 8.141,898 144.435,899 16.084,900 8.979,904 4.288,906 52.426,907 694.546,908 51,910 -3.654,911 25.467,916 72.923,917 82.766,918 0.259,919 0.587,920 0.769,921 0.834,922 0.841,923 0.841,924 5.212,925 1.93,926 6.125,927 6.721,928 4.745,929 5.236,930 1.406,931 6.946,932 4.636,933 6.444,934 1.625,935 7.698,936 5.645,937 4.575,938 5.286,939 0.325,940 8.148,941 4.397,942 7.784,943 1.414,944 9.383,945 4.64,946 6.428,947 7.476,948 0.977,949 11.101,950 6.196,951 9.161,952 1.353,953 11.138,954 3.671,955 7.022,956 8.306,957 0.268,958 13.112,959 6.712,960 10.572,961 1.114,962 12.94,963 3.011,964 8.424,965 10.069,966 0.74,967 15.723,968 8.06,969 12.008,970 1,971 14.777,972 2.545,973 9.347,974 11.257,975 0.188,976 18.053,977 8.901,978 13.463,979 0.942,980 16.64,981 2.275,982 10.598,983 12.868,984 0.571,985 20.591,986 10.093,987 3.462,988 0.618,989 18.525,990 2.074,991 11.672,992 14.232,993 0.125,994 23.047,995 11.084,996 2.968,997 12.764,998 20.428,999 1.372,1000 12.878,1001 15.788,1002 0.439,1003 25.577,1004 12.224,1005 2.905,1006 9.713,1007 22.346,1008 4.71,1009 14.025,1010 17.241,1011 0.082,1012 28.084,1013 13.288,1014 2.674,1015 8.997,1016 24.277,1017 3.92,1018 15.225,1019 18.78,1020 0.334,1021 30.617,1022 14.416,1023 2.541,1024 7.669,1025 26.219,1026 3.635,1027 16.408,1028 20.277,1029 0.054,1030 33.145,1031 15.518,1032 2.427,1033 7.068,1034 28.169,1035 3.424,1036 17.614,1037 21.814,1038 0.252,1039 35.684,1040 16.648,1041 2.282,1042 6.985,1043 30.127,1044 3.019,1045 18.818,1046 23.334,1047 0.035,1048 38.221,1049 17.771,1050 23005,1051 35731,1052 26.118,1053 47.466,1054 59.697,1055 60.566,1056 59.67,1057 59.577,1058 59.554,1059 75.473,1060 4.92,1061 172.829,1062 56.49,1063 5.834,1064 6.691,1065 7.013,1066 5.484,1067 5.462,1068 7.71,1069 1.72,1070 20.441,1071 5.215,1072 20.779,1073 1.492,1074 1.514,1075 1.492,1076 1.489,1077 1.489,1078 1.887,1079 0.123,1080 4.321,1081 1.412,1082 4.095,1083 4.093,1084 4.737,1085 4.071,1086 7.717,1087 3.99,1088 3.952,1089 3.981,1090 3.925,1091 3.844,1092 6.999,1093 3.846,1094 3.856,1095 3.921,1096 3.803,1097 3.706,1098 5.025,1099 3.71,1100 3.819,1101 3.86,1102 3.714,1103 3.678,1104 4.832,1105 3.675,1106 3.721,1107 3.775,1108 3.664,1109 3.604,1110 4.699,1111 3.591,1112 3.509,1113 3.502,1114 3.491,1115 3.414,1116 4.406,1117 3.344,1118 3.405,1119 3.466,1120 3.252,1121 3.207,1122 4.367,1123 3.205,1124 3.19,1125 3.278,1126 3.055,1127 2.976,1128 4.255,1129 2.989,1130 0.122,1131 0.117,1132 0.184,1133 0.11,1134 0.087,1135 4.875,1136 0.118,1137 4.691,1138 0.022,1139 7.355,1140 0.319,1141 4.393,1142 0.08,1143 3.462,1144 4.71,1145 0.86,1146 12.764,1147 3.215,1148 1.972,1149 1.975,1150 2.011,1151 2.071,1152 1.224,1153 2.091,1154 1.892,1155 1.865,1156 1.989,1157 2.016,1158 1.211,1159 2.017,1160 1.774,1161 1.735,1162 1.955,1163 1.937,1164 1.152,1165 1.942,1166 1.71,1167 1.656,1168 1.868,1169 1.868,1170 1.108,1171 1.881,1172 1.59,1173 1.516,1174 1.86,1175 1.821,1176 1.058,1177 1.828,1178 1.577,1179 1.507,1180 1.824,1181 1.751,1182 0.954,1183 1.793,1184 1.358,1185 1.384,1186 1.511,1187 1.52,1188 0.787,1189 1.57,1190 1.206,1191 1.136,1192 1.423,1193 1.475,1194 0.553,1195 1.485,1196 4.394,1198 5.733,1199 2.398,1200 7.236,1201 4.443,1202 8.815,1203 6.26,1204 10.435,1206 7.312,1212 6.521,1213 9.113,1214 5.877,1217 2.425,1218 -0.579,1222 44.362,1223 117.093,1224 265.024,1225 347.553,1226 377.063,1227 379.818,1228 379.818,1229 82.179,1230 8.116,1231 108.48,1232 116.86,1233 23,1234 12.668,1235 4.392,1236 3.585,1237 65.257,1238 211,1239 223,1240 0.146,1241 277.729,1242 480.64,1243 669.419,1244 46497,1246 26.468,1247 0.715,1248 0.614,1249 26.718,1250 22.73,1251 17.571,1252 0.439,1253 0.351,1254 12.501,1255 16.151,1256 11.917,1257 9.999,1258 18.393,1259 14.027,1260 17.312,1261 0.304,1262 0.21,1263 18.598,1264 11.963,1265 12.314,1266 0.187,1267 0.115,1268 13.49,1269 7.56,1270 10.431,1271 0.124,1272 0.065,1273 11.676,1274 5.495,1275 7.585,1276 0.079,1277 0.033,1278 8.295,1279 3.138,1280 0.239,1281 118.193,1282 0.196,1283 34.67,1284 0.374,1285 194,1286 540.001,1287 250.97,1288 544.362,1289 743.53,1290 504,1291 220,1292 527.459,1293 286.601,1294 572.29,1295 826.19,1296 533,1297 5}
{0 CHEMBL1289926,1 1.585,2 12.286,3 4.493,4 20.186,5 114.788,6 8.402,7 0.71,8 3.933,9 4.041,10 3.653,11 3.596,12 5.11,13 3.55,14 4.385,15 4.525,16 4.009,17 3.968,18 5.533,19 3.895,20 4.58,21 4.752,22 4.064,23 4.071,24 5.68,25 3.961,26 4.574,27 4.747,28 4.008,29 3.986,30 5.713,31 3.882,32 4.522,33 4.712,34 3.866,35 3.941,36 5.584,37 3.83,38 4.549,39 4.75,40 3.804,41 3.926,42 5.609,43 3.818,44 4.533,45 4.753,46 3.746,47 3.841,48 5.597,49 3.752,50 4.411,51 4.634,52 3.583,53 3.705,54 5.489,55 3.601,56 0.044,57 0.663,58 7.861,59 3.899,60 7.206,61 4.667,62 0.109,63 1.04,64 14.352,65 6.503,66 16.07,67 7.766,68 0.116,69 1.248,70 23.017,71 9.306,72 23.968,73 10.629,74 0.237,75 1.254,76 24.376,77 8.717,78 35.504,79 9.532,80 0.169,81 1.163,82 21.084,83 8.362,84 26.663,85 10.076,86 0.138,87 1.195,88 22.736,89 8.907,90 26.506,91 10.807,92 0.162,93 1.168,94 20.446,95 7.871,96 30.645,97 9.879,98 0.226,99 1.051,100 18.187,101 6.853,102 31.972,103 8.636,104 7,105 42,106 0.266,107 0.591,108 0.757,109 0.886,110 0.91,111 0.91,112 3.374,113 0.931,114 -4.38,115 -4.31,116 -4.07,118 47.8,123 1,131 2,136 10,137 2,138 2,139 1,140 2,146 1,149 1,159 1,161 9,164 6,166 1,168 3,169 14,173 5,177 4,179 10,183 6,187 4,189 11,193 2,195 1,197 3,200 10,202 1,203 6,207 3,208 9,211 6,216 4,217 8,219 1,220 3,222 1,224 3,226 6,229 1,231 1,232 1,233 1,235 7,238 1178,239 19.438,240 19.438,241 19.438,242 19.438,243 19.438,244 16.609,245 7.851,246 11.647,247 19.808,248 15.264,249 15.264,250 15.264,251 15.264,252 15.264,253 10.964,254 5.913,255 5.468,256 15.815,257 3.938,258 2.002,259 1.016,260 0.25,261 0.103,262 0.103,263 4.076,266 1,267 1,268 746,269 3.24,271 63.273,272 256.996,275 111.673,279 2.265,280 17.309,283 1,284 1,285 1,286 0.6,288 1,289 1,290 0.8,291 59,292 344,293 4.558,294 4.574,295 6.542,296 4.073,297 3.099,298 4.514,299 2.95,300 10.339,301 3.022,302 4.339,303 3.57,304 6.453,305 3.958,306 2.983,307 3.946,308 1.058,309 9.959,310 2.909,311 3.95,312 3.158,313 5.473,314 3.497,315 2.529,316 3.516,318 7.261,319 2.446,320 3.75,321 2.951,322 5.34,323 3.322,324 2.391,325 3.191,327 6.948,328 2.203,329 3.413,330 2.514,331 5.075,332 2.987,333 2.009,334 2.665,336 5.806,337 1.949,338 3.249,339 1.95,340 4.823,341 2.759,342 1.796,343 2.538,345 5.113,346 1.717,347 3.003,348 1.832,349 4.209,350 2.495,351 1.508,352 2.214,354 3.78,355 1.488,356 2.901,357 1.509,358 3.877,359 2.422,360 1.451,361 2.071,363 3.193,364 1.397,365 2.805,366 1.441,367 3.634,368 2.324,369 1.348,370 1.936,372 3.112,373 1.309,374 2.578,375 1.318,376 3.574,377 2.115,378 1.127,379 1.571,381 2.6,382 1.109,383 2.5,384 1.087,385 3.271,386 1.959,387 1,388 1.5,389 2.136,390 0.956,391 2.379,392 1,393 3.247,394 1.761,395 0.775,396 1.189,397 1.809,398 0.763,399 2.025,400 0.825,401 3.073,402 1.439,403 0.47,404 0.712,405 1.123,406 0.452,407 1.491,408 0.772,409 2.904,410 1.222,411 0.264,412 0.308,413 0.431,414 0.248,415 1.36,416 0.554,417 2.467,418 0.925,423 13.767,424 0.492,425 0.516,426 0.018,427 40.75,428 1.455,429 23.5,430 0.839,431 17.25,432 0.616,433 19.057,434 0.681,435 27.633,436 0.601,437 29.3,438 1.046,439 8.308,440 0.297,441 5.433,442 0.194,443 0.061,445 0.291,449 0.701,450 0.947,451 0.711,452 0.794,453 0.605,454 0.785,455 0.78,456 1.016,457 0.846,458 0.875,459 0.654,460 0.878,461 0.986,462 1.052,463 1.185,464 1.11,465 0.91,466 0.971,467 1.434,468 1.148,469 1.327,470 1.247,471 1.576,472 1.084,473 0.966,474 1.005,475 1.076,476 1.072,477 1.032,478 1.033,479 0.836,480 1.124,481 1.134,482 1.167,483 0.77,484 1.067,485 1.14,486 1.06,487 0.859,488 0.893,489 1.043,490 0.942,491 1.026,492 0.963,493 0.953,494 0.92,495 0.935,496 1.012,497 4.5,498 0.082,499 2.889,500 1.667,501 1.067,502 0.761,503 0.515,504 0.327,505 0.271,506 0.158,507 10784,508 29751,509 2.137,510 39.1,512 15,514 1,515 2,520 1.707,521 2.049,522 3.561,523 0.212,525 1,528 72.918,529 1.585,530 3.522,531 4.508,532 5.273,533 5.42,534 5.42,535 3.067,536 4.084,537 4.775,538 3.752,539 1418.13,540 8.285,541 19263.3,543 1,545 1,546 254.084,547 1.198,548 4.76,549 0.145,550 0.005,551 0.069,552 0.04,553 0.029,554 0.022,555 0.015,556 0.01,557 0.01,558 0.008,559 0.352,560 0.17,561 1,562 0.787,563 142.529,564 0.024,565 0.09,566 0.053,567 0.077,568 -0.061,569 0.052,570 0.034,571 0.019,572 0.048,573 0.062,574 0.008,575 0.006,576 -0.072,577 -0.044,578 -0.017,579 -0.004,580 0.01,581 0.003,582 -0.161,583 -0.116,584 -0.125,585 -0.148,586 -0.173,587 -0.136,588 -0.034,589 -0.029,590 -0.055,591 -0.057,592 -0.078,593 -0.058,594 0.015,595 -0.151,596 -0.111,597 -0.154,598 0.034,599 -0.077,600 -0.097,601 -0.08,602 0.008,603 0.003,604 -0.037,605 0.023,606 0.023,607 0.044,608 -0.067,609 -0.022,610 0.002,611 -0.055,612 1.758,613 5.075,614 0.75,615 31.077,616 1,617 1.109,618 3.15,619 9.92,620 0.727,621 3.466,622 3.761,623 4.043,624 4.29,625 4.477,626 4.511,627 4.663,628 4.82,629 4.92,630 5.043,631 7.218,632 0.689,633 386.51,634 3.466,635 4.99,636 5.838,637 6.703,638 7.566,639 8.438,640 9.307,641 10.184,642 11.057,643 11.936,644 8.7,651 1,652 1,654 2,656 2,657 11,658 2,659 1,662 5,664 22,670 1,679 46,680 24,681 2,682 31,684 49,685 22,686 18,687 5,688 7,689 3,690 4,691 5,702 21,703 1,706 2,709 1,710 2,712 1,715 1,718 18,719 4,720 2,721 6,722 1,726 4,729 0.75,730 1,737 1,739 1,744 1,745 3,748 1,758 2,766 3,767 1,768 1,770 1,774 28,781 1,783 1,795 2.2,798 1,801 13.667,802 8.567,803 6.278,804 2.606,805 4.876,806 1.631,807 1.026,808 5.448,809 12.607,810 3.807,811 4.422,812 5.057,813 5.659,814 6.184,815 6.473,816 6.95,817 7.425,818 7.784,819 8.249,820 1,821 42,822 10.281,823 4.312,824 7.685,825 19.632,826 15.861,827 2.185,828 61.167,831 1,832 188.338,833 184.601,834 68.122,836 25.145,838 32.22,839 152.381,840 213.483,841 68.122,842 8.396,843 18.011,844 113.715,845 75.069,846 39.471,847 2.757,848 208.786,850 188.338,851 220.503,852 25.145,853 32.22,855 188.338,856 25.145,858 48.622,859 119.48,860 52.401,861 32.22,862 188.338,863 93.267,864 184.601,867 188.338,868 53.442,869 131.159,870 34.674,871 58.593,872 188.338,873 93.267,874 184.601,876 0.57,877 0.34,878 0.184,879 0.096,880 20,881 8,882 0.102,883 5,884 1,885 1.095,886 4.104,887 238.128,888 0.095,889 21,890 132.606,891 1,894 18.33,895 8.322,896 4.128,897 1.916,898 76.604,899 21.257,900 8.709,901 3.076,904 4.421,906 34.674,907 466.205,908 44,911 12.075,912 3.931,914 -0.092,916 45.996,917 51.029,918 0.287,919 0.638,920 0.816,921 0.955,922 0.981,923 0.981,924 5.007,925 1.451,926 5.796,927 3.78,928 4.443,929 5.109,930 3.027,931 6.581,932 4.374,933 6.215,934 1.348,935 7.334,936 3.193,937 3.892,938 4.796,940 7.434,941 3.786,942 7.513,943 1.127,944 8.974,945 3.112,946 6.004,947 7.347,948 5.043,949 10.536,950 5.873,951 8.853,952 1,953 10.677,954 2.6,955 6.33,956 7.933,958 12.263,959 6.166,960 10.226,961 0.775,962 12.422,963 2.136,964 7.856,965 9.887,966 7.187,967 14.856,968 7.673,969 11.624,970 0.47,971 14.196,972 1.809,973 8.595,974 10.918,976 16.934,977 8.384,978 13.042,979 0.264,980 15.991,981 1.123,982 9.877,983 12.61,984 9.348,985 19.354,986 9.647,987 3.099,989 17.802,990 0.431,991 10.814,992 13.87,994 21.575,995 10.559,996 2.983,997 10.339,998 19.625,1000 11.993,1001 15.445,1002 11.511,1003 23.933,1004 11.719,1005 2.529,1006 9.959,1007 21.458,1008 4.514,1009 13.024,1010 16.821,1012 26.212,1013 12.725,1014 2.391,1015 7.261,1016 23.298,1017 3.946,1018 14.161,1019 18.345,1020 13.675,1021 28.547,1022 13.841,1023 2.009,1024 6.948,1025 25.144,1026 3.516,1027 15.236,1028 19.78,1030 30.851,1031 14.892,1032 1.796,1033 5.806,1034 26.995,1035 3.191,1036 16.357,1037 21.285,1038 15.838,1039 33.179,1040 15.992,1041 1.508,1042 5.113,1043 28.85,1044 2.665,1045 17.453,1046 22.75,1048 35.493,1049 17.063,1050 10198,1051 17078,1052 21.266,1053 33.455,1054 46.139,1055 49.301,1056 47.116,1057 45.573,1058 45.498,1059 63.743,1060 8.017,1061 127.22,1062 43.936,1063 5.353,1064 6.574,1065 6.344,1066 5.207,1067 5.099,1068 7.514,1069 5.9,1070 17.118,1071 5.022,1072 10.021,1073 1.488,1074 1.59,1075 1.52,1076 1.47,1077 1.468,1078 2.056,1079 0.259,1080 4.104,1081 1.417,1082 4.114,1083 4.149,1084 4.161,1085 4.04,1086 7.429,1087 4.035,1088 3.914,1089 3.935,1090 3.946,1091 3.861,1092 5.09,1093 3.851,1094 3.863,1095 3.903,1096 3.805,1097 3.767,1098 4.896,1099 3.77,1100 3.473,1101 3.541,1102 3.551,1103 3.386,1104 4.699,1105 3.366,1106 3.449,1107 3.502,1108 3.342,1109 3.201,1110 4.362,1111 3.226,1112 3.18,1113 3.244,1114 3.169,1115 3.071,1116 4.18,1117 3.044,1118 2.988,1119 3.043,1120 2.982,1121 2.85,1122 4.151,1123 2.82,1124 2.919,1125 2.964,1126 2.789,1127 2.789,1128 3.826,1129 2.775,1130 0.147,1131 0.148,1132 0.211,1133 0.131,1134 0.1,1135 4.558,1136 0.146,1137 4.574,1138 0.095,1139 6.542,1140 0.334,1141 4.073,1142 0.097,1143 3.099,1144 4.514,1145 2.95,1146 10.339,1147 3.022,1148 1.957,1149 1.944,1150 2.015,1151 2.012,1152 1.18,1153 2.024,1154 1.883,1155 1.86,1156 1.98,1157 1.978,1158 1.081,1159 1.983,1160 1.831,1161 1.798,1162 1.936,1163 1.928,1164 0.976,1165 1.933,1166 1.509,1167 1.46,1168 1.681,1169 1.735,1170 0.691,1171 1.705,1172 1.385,1173 1.307,1174 1.646,1175 1.679,1176 0.679,1177 1.683,1178 1.107,1179 1.035,1180 1.297,1181 1.345,1182 0.324,1183 1.347,1184 0.986,1185 0.963,1186 1.196,1187 1.196,1188 0.241,1189 1.196,1190 0.95,1191 0.898,1192 1.109,1193 1.042,1194 0.222,1195 1.089,1196 4.143,1198 5.442,1199 2.398,1200 6.942,1201 4.727,1202 8.53,1203 6.823,1204 10.163,1206 1.638,1213 2.686,1215 1.55,1222 31.675,1223 72.918,1224 162.004,1225 207.355,1226 242.574,1227 249.329,1228 249.329,1229 38.591,1230 7.731,1231 70.67,1232 95.97,1233 23,1234 12.474,1235 4.644,1236 3.807,1237 42.629,1238 124,1239 118,1240 0.172,1241 199.404,1242 335.74,1243 478.306,1244 26432,1246 19.347,1247 0.691,1248 0.573,1249 19.7,1250 16.033,1251 13.742,1252 0.443,1253 0.31,1254 8.792,1255 12.917,1256 8.494,1257 7.093,1258 14.15,1259 9.623,1260 11.851,1261 0.282,1262 0.171,1263 12.52,1264 7.197,1265 10.313,1266 0.184,1267 0.095,1268 11.07,1269 5.317,1270 8.487,1271 0.118,1272 0.053,1273 9.367,1274 3.829,1275 6.761,1276 0.078,1277 0.031,1278 7.657,1279 2.697,1280 0.274,1281 89.029,1282 0.217,1283 27.141,1284 0.457,1285 146,1286 406.552,1287 180.387,1288 425.706,1289 591.47,1290 400,1291 171,1292 426.704,1293 201.784,1294 452.166,1295 657.62,1296 427,1297 5}
{0 CHEMBL1336,1 1.965,2 14.281,3 4.176,4 17.437,5 110.459,6 9.685,7 0.529,8 4.003,9 4.1,10 3.755,11 3.517,12 5.316,13 3.555,14 4.496,15 4.622,16 4.2,17 3.853,18 6.254,19 3.888,20 4.687,21 4.837,22 4.212,23 3.955,24 6.089,25 3.972,26 4.729,27 4.888,28 4.278,29 3.87,30 6.302,31 3.909,32 4.633,33 4.809,34 4.034,35 3.794,36 6.141,37 3.811,38 4.604,39 4.799,40 3.841,41 3.776,42 5.894,43 3.752,44 4.507,45 4.685,46 3.977,47 3.684,48 6.22,49 3.67,50 4.383,51 4.577,52 3.681,53 3.61,54 5.663,55 3.582,56 0.311,57 0.902,58 5.104,59 4.001,60 37.643,61 3.787,62 1.055,63 1.686,64 11.815,65 6.648,66 147.525,67 6.555,68 0.943,69 1.452,70 18.483,71 8.178,72 99.294,73 8.02,74 1.323,75 1.452,76 26.239,77 8.848,78 158.001,79 8.205,80 1.117,81 1.415,82 18.246,83 7.271,84 116.513,85 7.605,86 1.027,87 1.273,88 21.288,89 8.134,90 142.434,91 8.546,92 1.184,93 1.129,94 18.324,95 6.854,96 152.715,97 8.195,98 0.73,99 1.053,100 16.236,101 6.388,102 91.483,103 6.945,104 55,105 48,106 0.331,107 0.647,108 0.756,109 0.856,110 0.873,111 0.88,112 3.501,113 0.833,114 -3.51,115 -3.48,116 -3.33,118 43.8,123 1,129 1,136 9,137 1,138 5,139 1,140 1,149 1,150 1,161 4,164 6,166 3,167 1,168 4,169 7,172 1,173 3,175 1,177 5,179 6,182 1,183 4,187 4,189 4,192 1,193 5,195 2,197 6,200 4,203 2,208 4,210 1,211 5,214 1,216 5,217 8,220 2,224 2,226 4,229 4,231 1,233 2,235 2,238 1830,239 20.806,240 20.806,241 20.806,242 20.806,243 20.806,244 18.374,245 27.261,246 12.092,247 21.506,248 16.717,249 16.717,250 16.717,251 16.717,252 16.717,253 12.942,254 35.352,255 5.698,256 17.916,257 3.62,258 1.75,259 1.1,260 0.506,261 0.406,262 0.365,263 4.178,264 1,266 1,267 1,268 952,269 4.416,272 372.995,279 2.451,280 58.279,283 1,284 0.83,285 1,286 0.4,288 1,289 1,290 0.75,291 73.833,292 457,293 4.547,294 4.475,295 7.24,296 4.244,297 3.377,298 4.049,299 3.825,300 12.181,301 2.944,302 4.229,303 3.563,304 6.062,305 3.837,306 2.866,307 3.823,308 1.656,309 8.764,310 2.785,311 4.066,312 3.555,313 5.644,314 3.683,315 2.72,316 3.635,317 1.058,318 7.822,319 2.609,320 3.875,321 3.063,322 5.565,323 3.519,324 2.58,325 3.161,326 0.86,327 7.541,328 2.405,329 3.704,330 2.994,331 5.413,332 3.332,333 2.4,334 3.009,335 0.247,336 7.063,337 2.229,338 3.547,339 2.575,340 5.211,341 3.124,342 2.195,343 2.804,345 6.337,346 2.036,347 3.361,348 2.395,349 4.965,350 2.936,351 2.011,352 2.613,354 5.825,355 1.806,356 3.175,357 2.246,358 4.578,359 2.71,360 1.738,361 2.359,363 4.786,364 1.597,365 2.847,366 1.789,367 4.063,368 2.351,369 1.412,370 1.947,372 3.427,373 1.315,374 2.583,375 1.433,376 4.032,377 2.114,378 1.154,379 1.616,381 3.137,382 1.089,383 2.568,384 1.187,385 3.473,386 2.075,387 1.102,388 1.566,389 2.48,390 1.069,391 2.5,392 1.086,393 3.414,394 2,395 1,396 1.5,397 2.275,398 1,399 1.544,400 1,401 3.068,402 1.223,403 0.316,404 0.37,405 0.808,406 0.276,407 1.471,408 0.86,409 2.898,410 1.174,411 0.188,412 0.223,413 0.331,414 0.183,415 1.444,416 0.704,417 2.828,418 1.024,419 0.136,420 0.167,421 0.249,422 0.108,423 14.671,424 0.458,425 1.021,426 0.032,427 43.5,428 1.359,429 22.5,430 0.703,431 21,432 0.656,433 23.394,434 0.731,435 35.129,436 0.732,437 38.162,438 1.193,439 9.153,440 0.286,441 5.998,442 0.187,443 0.187,444 0.034,445 0.307,447 3,449 0.672,450 1.018,451 0.554,452 0.944,453 0.612,454 0.824,455 0.517,456 0.801,457 0.611,458 0.927,459 0.43,460 0.908,461 0.935,462 0.909,463 0.936,464 0.987,465 0.751,466 0.982,467 1.088,468 1.107,469 1.071,470 1.179,471 1.047,472 1.061,473 0.873,474 0.815,475 0.804,476 0.914,477 1.013,478 1.01,479 1.047,480 0.881,481 0.996,482 0.952,483 1.056,484 1.054,485 0.365,486 0.644,487 0.656,488 0.919,489 0.347,490 1.007,491 0.884,492 0.873,493 0.969,494 0.973,495 0.846,496 1.059,497 9,498 0.178,499 3.556,500 2.563,501 1.716,502 0.979,503 0.891,504 0.307,505 0.411,506 0.279,507 15376,508 65351,509 1.968,510 33.3,512 12,514 1,515 3,520 1.738,521 1.803,522 3.763,523 0.946,525 1,528 94.33,529 1.965,530 3.835,531 4.485,532 5.079,533 5.179,534 5.22,535 3.254,536 4.563,537 4.974,538 4.01,539 1989.05,540 8.658,541 31334,546 268.078,547 1.663,548 4.899,549 0.265,550 0.007,551 0.074,552 0.053,553 0.038,554 0.024,555 0.026,556 0.009,557 0.014,558 0.01,559 0.521,560 0.33,561 0.88,562 1.042,563 172.898,564 -0.085,565 -0.089,566 -0.005,567 -0.02,568 -0.105,569 0.022,570 0.329,571 0.244,572 0.097,573 0.014,574 0.36,575 -0.038,576 -0.142,577 -0.113,578 -0.055,579 -0.044,580 -0.061,581 -0.038,582 -0.065,583 -0.162,584 0.01,585 -0.189,586 -0.046,587 -0.097,588 0.026,589 0.089,590 -0.036,591 -0.003,592 -0.075,593 -0.064,594 -0.179,595 -0.018,596 -0.109,597 0.022,598 -0.185,599 -0.009,600 0.46,601 0.153,602 0.226,603 0.031,604 0.427,605 0.014,606 -0.126,607 -0.039,608 -0.089,609 -0.011,610 -0.106,611 -0.021,612 5.892,613 5.121,614 0.563,615 37.637,616 1.048,617 1.144,618 2.279,619 5.192,620 0.691,621 3.555,622 3.892,623 4.06,624 4.263,625 4.431,626 4.394,627 4.533,628 4.489,629 4.554,630 4.605,631 8.626,632 0.696,633 464.86,634 3.555,635 5.106,636 5.927,637 6.801,638 7.638,639 8.511,640 9.353,641 10.224,642 11.071,643 11.94,644 8.3,651 3,654 1,657 10,658 1,662 7,664 18,670 1,677 1,678 1,679 48,680 20,681 2,682 34,684 50,685 21,686 17,687 5,688 7,689 1,690 3,691 3,692 1,693 1,694 1,699 1,702 19,703 2,706 2,709 2,712 2,715 1,716 3,718 16,719 10,720 3,721 11,722 1,726 4,729 1,730 3,739 1,745 3,766 3,770 1,771 1,772 3,774 32,781 3,782 1,786 1,794 4,795 6.3,798 2,800 1,801 17.75,802 8.855,803 6.972,804 2.537,805 3.315,806 1.441,807 0.976,808 7.36,809 10.836,810 3.829,811 4.413,812 4.896,813 5.413,814 5.919,815 5.977,816 6.322,817 6.484,818 6.755,819 7.102,820 1,821 48,822 12.345,823 5.799,824 8.449,825 20.963,826 16.414,827 2.949,828 94.361,832 153.024,833 144.913,834 70.818,835 39.149,836 61.29,837 44.88,839 144.913,840 253.463,841 115.698,842 8.396,843 54.032,844 85.286,845 83.551,846 90.371,847 4.276,848 141.253,849 46.908,850 153.024,851 215.731,852 106.17,853 39.149,855 153.024,856 106.17,858 73.596,859 125.35,860 55.934,862 197.905,863 132.108,864 184.062,867 160.784,868 34.424,869 102.73,870 54.032,871 162.104,872 153.024,873 176.988,874 184.062,876 0.589,877 0.327,878 0.166,879 0.088,880 21,881 11,882 0.1,883 5,885 1,886 4.301,887 271.251,889 18,890 151.245,894 23.544,895 10.003,896 6.443,898 176.988,899 13.766,900 3.94,904 -0.192,906 54.032,907 514.074,908 45,911 23.764,914 -1.095,916 50.32,917 54.906,918 0.352,919 0.687,920 0.803,921 0.909,922 0.927,923 0.935,924 5.072,925 1.738,926 5.953,927 5.825,928 4.575,929 5.1,930 3.38,931 6.765,932 4.44,933 6.3,934 1.412,935 7.526,936 4.786,937 4.369,938 4.966,939 3.949,940 7.861,941 4.067,942 7.618,943 1.154,944 9.204,945 3.427,946 6.225,947 7.25,948 5.479,949 10.845,950 5.94,951 8.965,952 1.102,953 10.948,954 3.137,955 6.77,956 7.816,957 6.701,958 12.764,959 6.297,960 10.339,961 1,962 12.737,963 2.48,964 8.176,965 9.65,966 8.067,967 15.376,968 7.698,969 11.73,970 0.316,971 14.559,972 2.275,973 9.059,974 10.553,975 9.391,976 17.645,977 8.396,978 13.137,979 0.188,980 16.409,981 0.808,982 10.306,983 12.182,984 10.736,985 20.162,986 9.597,987 3.377,988 0.136,989 18.281,990 0.331,991 11.352,992 13.275,993 12.075,994 22.573,995 10.466,996 2.866,997 12.181,998 20.173,999 0.249,1000 12.548,1001 14.794,1002 13.417,1003 25.07,1004 11.579,1005 2.72,1006 8.764,1007 22.08,1008 4.049,1009 13.671,1010 15.999,1011 14.758,1012 27.535,1013 12.536,1014 2.58,1015 7.822,1016 24.001,1017 3.823,1018 14.857,1019 17.455,1020 16.1,1021 30.03,1022 13.611,1023 2.4,1024 7.541,1025 25.933,1026 3.635,1027 16.02,1028 18.729,1029 17.441,1030 32.516,1031 14.614,1032 2.195,1033 7.063,1034 27.875,1035 3.161,1036 17.21,1037 20.15,1038 18.783,1039 35.013,1040 15.673,1041 2.011,1042 6.337,1043 29.823,1044 3.009,1045 18.393,1046 21.465,1047 20.124,1048 37.507,1049 16.701,1050 15123,1051 31467,1052 21.671,1053 33.148,1054 51.216,1055 52.199,1056 52.202,1057 50.72,1058 50.392,1059 65.683,1060 15.294,1061 146.047,1062 46.9,1063 5.419,1064 6.475,1065 6.794,1066 5.319,1067 5.377,1068 7.049,1069 5.335,1070 19.593,1071 4.944,1072 20.629,1073 1.506,1074 1.535,1075 1.535,1076 1.492,1077 1.482,1078 1.932,1079 0.45,1080 4.296,1081 1.379,1082 3.988,1083 4.014,1084 4.047,1085 3.891,1086 8.513,1087 3.896,1088 3.924,1089 3.946,1090 3.912,1091 3.836,1092 7.999,1093 3.842,1094 3.837,1095 3.871,1096 3.792,1097 3.731,1098 7.999,1099 3.741,1100 3.482,1101 3.542,1102 3.491,1103 3.207,1104 7.432,1105 3.245,1106 3.442,1107 3.496,1108 3.387,1109 3.162,1110 7.428,1111 3.209,1112 3.276,1113 3.319,1114 3.356,1115 2.98,1116 4.97,1117 3.031,1118 3.003,1119 3.05,1120 3.172,1121 2.805,1122 4.902,1123 2.81,1124 2.947,1125 2.997,1126 2.861,1127 2.786,1128 4.739,1129 2.774,1130 0.134,1131 0.132,1132 0.213,1133 0.125,1134 0.099,1135 4.547,1136 0.119,1137 4.475,1138 0.113,1139 7.24,1140 0.358,1141 4.244,1142 0.087,1143 3.377,1144 4.049,1145 3.825,1146 12.181,1147 2.944,1148 1.911,1149 1.889,1150 1.999,1151 2.036,1152 1.099,1153 2.023,1154 1.886,1155 1.867,1156 1.957,1157 1.995,1158 1.065,1159 1.985,1160 1.8,1161 1.77,1162 1.896,1163 1.931,1164 0.937,1165 1.924,1166 1.382,1167 1.309,1168 1.674,1169 1.68,1170 0.677,1171 1.678,1172 1.278,1173 1.237,1174 1.373,1175 1.597,1176 0.329,1177 1.533,1178 1.076,1179 1.038,1180 1.205,1181 1.406,1182 0.258,1183 1.321,1184 0.961,1185 0.904,1186 1.196,1187 1.199,1188 0.238,1189 1.194,1190 0.887,1191 0.845,1192 1.181,1193 1.11,1194 0.218,1195 1.107,1196 4.234,1198 5.565,1200 7.072,1202 8.658,1204 10.285,1206 1.488,1207 5.568,1208 38.817,1213 7.288,1214 5.658,1218 -4.642,1222 33.422,1223 94.33,1224 184.065,1225 215.284,1226 243.814,1227 248.568,1228 250.568,1229 91.208,1230 7.521,1231 92.35,1232 92.35,1233 18,1234 12.488,1235 4.392,1236 3.585,1237 61.745,1238 169,1239 152,1240 0.177,1241 208.921,1242 376.83,1243 501.528,1244 20990,1245 8.3,1246 23.303,1247 0.728,1248 0.538,1249 21.303,1250 17.213,1251 15.151,1252 0.446,1253 0.278,1254 8.887,1255 14.02,1256 8.726,1257 7.21,1258 14.229,1259 9.441,1260 14.506,1261 0.302,1262 0.141,1263 12.882,1264 6.761,1265 10.793,1266 0.189,1267 0.077,1268 10.512,1269 4.398,1270 8.636,1271 0.123,1272 0.04,1273 7.83,1274 2.808,1275 6.703,1276 0.081,1277 0.021,1278 6.322,1279 1.759,1280 0.289,1281 100.132,1282 0.215,1283 30.681,1284 0.452,1285 164,1286 766.387,1287 212.555,1288 681.716,1289 873.99,1290 628,1291 187,1292 586.788,1293 223.738,1294 579.809,1295 860.84,1296 543,1297 5}
{0 CHEMBL1421,1 1.781,2 14.515,3 3.439,4 11.829,5 130.334,6 8.272,7 0.472,8 4.186,9 4.31,10 3.868,11 3.71,12 5.289,13 3.681,14 4.723,15 4.911,16 4.273,17 4.092,18 5.802,19 4.04,20 4.941,21 5.151,22 4.314,23 4.218,24 5.982,25 4.141,26 5.006,27 5.228,28 4.28,29 4.257,30 6.04,31 4.143,32 5.048,33 5.295,34 4.247,35 4.219,36 6.107,37 4.099,38 4.913,39 5.139,40 4.3,41 4.148,42 5.979,43 4.032,44 4.818,45 5.046,46 4.105,47 4.07,48 5.861,49 3.938,50 4.729,51 4.975,52 3.899,53 3.905,54 5.736,55 3.791,56 0.095,57 0.941,58 11.465,59 5.069,60 10.998,61 6.429,62 0.43,63 1.487,64 24.882,65 8.224,66 31.59,67 10.997,68 0.6,69 1.695,70 35.684,71 10.349,72 45.533,73 13.753,74 0.546,75 1.729,76 37.657,77 12.51,78 51.32,79 16.654,80 0.76,81 1.693,82 45.193,83 13.007,84 79.856,85 17.006,86 0.671,87 1.578,88 38.884,89 11.058,90 68.555,91 13.89,92 0.533,93 1.499,94 38.483,95 11.075,96 49.188,97 13.638,98 0.487,99 1.324,100 32.202,101 9.003,102 43.612,103 11.771,104 28,105 50,106 0.289,107 0.627,108 0.771,109 0.863,110 0.863,111 0.863,112 3.531,113 0.988,114 -4.5,115 -4.42,116 -4.17,118 37.3,119 2,124 6,136 4,137 1,138 2,139 1,141 2,143 1,146 1,149 1,153 1,161 4,163 2,164 6,166 3,168 3,169 4,172 1,173 1,175 1,177 5,179 4,182 3,183 4,185 3,187 2,189 5,192 1,193 5,195 1,196 1,200 1,202 2,203 5,205 1,208 5,210 2,211 6,214 2,216 2,217 1,220 1,222 1,224 5,228 3,229 3,231 2,233 2,235 1,238 2001,239 22.195,240 22.195,241 22.195,242 22.195,243 22.195,244 19.929,245 32.957,246 13.115,247 23.048,248 17.742,249 17.742,250 17.742,251 17.742,252 17.742,253 14.303,254 53.106,255 6.184,256 19.239,257 4.101,258 2.018,259 1.131,260 0.568,261 0.568,262 0.568,263 4.224,264 1,267 1,268 1026,269 3.464,271 97.808,272 357.583,279 2.349,280 33.625,283 1,284 0.67,285 1,286 1,287 0.5,288 1,289 1,290 0.88,291 71.833,292 479,293 4.372,294 3.598,295 6.427,296 3.97,297 3.025,298 4.012,299 1.058,300 9.81,301 2.855,302 4.278,303 3.209,304 6.209,305 3.89,306 2.963,307 3.905,308 0.8,309 9.352,310 2.742,311 4.182,312 3.187,313 6.053,314 3.729,315 2.816,316 3.795,317 0.8,318 8.741,319 2.583,320 3.731,321 2.874,322 5.56,323 3.499,324 2.572,325 2.948,326 0.4,327 7.535,328 2.377,329 3.573,330 2.712,331 5.322,332 3.261,333 2.344,334 2.8,336 6.886,337 2.131,338 3.377,339 2.486,340 5.139,341 3.091,342 2.175,343 2.481,345 6.287,346 1.978,347 3.232,348 2.379,349 4.841,350 2.799,351 1.879,352 2.478,354 5.178,355 1.722,356 3.232,357 2.119,358 4.717,359 2.782,360 1.854,361 2.446,363 5.104,364 1.638,365 2.898,366 1.66,367 4.254,368 2.451,369 1.484,370 2.064,372 3.876,373 1.433,374 2.623,375 1.578,376 4.184,377 2.329,378 1.39,379 1.628,381 3.748,382 1.3,383 2.572,384 1.558,385 3.789,386 2.079,387 1.12,388 1.553,389 2.808,390 1.051,391 2.17,392 1.399,393 3.414,394 1.967,395 1.025,396 1.055,397 2.275,398 0.965,399 2.062,400 1.146,401 3.275,402 1.935,403 1,404 1.003,405 1.824,406 0.926,407 2,408 1.064,409 3.163,410 1.528,411 0.688,412 1,413 1.676,414 0.566,415 1.58,416 0.727,417 2.952,418 1.216,419 0.302,420 0.362,421 0.714,422 0.248,423 16.014,424 0.485,425 0.835,426 0.025,427 41.75,428 1.265,429 19,430 0.576,431 22.75,432 0.689,433 31.371,434 0.951,435 36.186,436 0.613,437 31.424,438 0.952,439 8.116,440 0.246,441 7.807,442 0.237,443 0.149,445 0.331,449 0.871,450 1.516,451 0.673,452 0.997,453 0.729,454 0.939,455 0.846,456 1.116,457 0.718,458 0.852,459 0.638,460 0.832,461 1.049,462 1.094,463 0.974,464 0.982,465 0.885,466 0.963,467 0.792,468 1.051,469 0.939,470 1.061,471 0.784,472 1.089,473 1.031,474 0.858,475 0.993,476 0.89,477 0.99,478 0.89,479 1.204,480 0.956,481 0.805,482 0.815,483 1.435,484 0.852,485 0.825,486 1.14,487 1.308,488 1.304,489 0.675,490 1.059,491 0.943,492 1.085,493 1.039,494 1.08,495 0.788,496 0.962,497 7.5,498 0.133,499 3.556,500 2.222,501 1.899,502 1.181,503 0.688,504 0.518,505 0.28,506 0.313,507 16711,508 48685,509 2.061,510 44.1,511 3,512 16,514 1,515 3,516 3,520 1.749,521 1.922,522 3.77,523 0.922,528 105.106,529 1.781,530 3.865,531 4.752,532 5.315,533 5.315,534 5.315,535 3.242,536 4.62,537 5.014,538 3.973,539 2097.49,540 8.765,541 32631.5,546 347.076,547 1.434,548 4.971,549 0.208,550 0.004,551 0.071,552 0.044,553 0.04,554 0.026,555 0.016,556 0.013,557 0.008,558 0.01,559 0.443,560 0.17,561 0.88,562 0.871,563 178.143,564 -0.103,565 -0.284,566 0.036,567 -0.029,568 -0.079,569 -0.005,570 0.046,571 0.031,572 0.118,573 0.1,574 0.062,575 0.096,576 -0.089,577 -0.01,578 -0.037,579 -0.021,580 -0.048,581 -0.022,582 0.071,583 -0.045,584 -0.009,585 -0.095,586 0.049,587 -0.103,588 0.004,589 0.083,590 0.046,591 0.094,592 0.05,593 0.101,594 -0.092,595 0.057,596 0.17,597 0.214,598 -0.151,599 0.114,600 0.027,601 -0.048,602 -0.116,603 -0.117,604 0.047,605 -0.054,606 -0.055,607 -0.037,608 -0.057,609 -0.038,610 0.005,611 0.009,612 1.933,613 5.693,614 0.697,615 39.278,616 1.01,617 1.134,618 3.268,619 10.678,620 0.679,621 3.611,622 3.932,623 4.174,624 4.419,625 4.595,626 4.654,627 4.727,628 4.868,629 4.963,630 5.03,631 8.272,632 0.642,633 488.07,634 3.611,635 5.153,636 5.994,637 6.866,638 7.721,639 8.595,640 9.455,641 10.33,642 11.193,643 12.069,644 11.9,647 1,650 1,651 1,652 1,654 3,657 5,658 3,661 1,662 8,664 17,670 1,674 1,675 1,678 1,679 59,680 18,681 1,682 36,684 62,685 22,686 13,687 3,688 3,689 1,690 4,691 4,692 1,694 3,702 14,703 8,706 1,709 1,712 1,718 26,719 9,720 3,721 11,722 2,726 7,729 1,730 2,731 1,740 1,744 1,745 3,763 1,764 1,766 4,768 1,770 2,771 1,774 33,779 1,780 6,781 2,785 2,789 1,794 1,795 3.4,796 1,798 1,801 17.167,802 11.093,803 7.278,804 3.454,805 3.184,806 1.4,807 0.966,808 7.884,809 11.14,810 3.839,811 4.41,812 4.923,813 5.448,814 5.849,815 6.035,816 6.261,817 6.662,818 7.016,819 7.296,820 0.9,821 50,822 12.193,823 5.129,824 7.771,825 23.249,826 18.825,827 2.271,828 74.944,832 270.735,833 129.4,834 92.627,835 39.149,836 67.828,838 31.278,839 98.122,840 377.712,841 92.627,842 17.65,843 28.539,844 80.588,845 91.977,846 45.578,847 6.014,848 290.242,849 39.149,850 270.735,851 190.749,852 67.828,853 70.426,855 273.063,856 25.145,857 42.683,858 76.873,859 61.191,860 89.505,861 31.278,862 270.735,863 160.455,864 168.548,867 270.735,868 64.797,869 70.851,870 36.022,871 157.334,872 270.735,873 160.455,874 168.548,876 0.58,877 0.336,878 0.181,879 0.095,880 23,881 11,882 0.113,883 7,885 1,886 4.446,887 295.833,889 23,890 157.71,891 1,894 23.984,895 10.847,896 6.05,898 160.455,899 8.899,900 13.38,903 1.238,904 5.123,906 78.705,907 599.738,908 45.5,911 12.693,914 -0.267,916 59.603,917 66.923,918 0.303,919 0.657,920 0.808,921 0.903,922 0.903,923 0.903,924 5.083,925 1.854,926 5.979,927 5.178,928 4.615,929 5.097,930 1.701,931 6.765,932 4.459,933 6.275,934 1.484,935 7.525,936 5.104,937 4.205,938 4.89,939 0.57,940 7.582,941 3.955,942 7.573,943 1.39,944 9.164,945 3.876,946 6.192,947 7.225,948 1.5,949 10.652,950 5.89,951 8.9,952 1.12,953 10.857,954 3.748,955 6.567,956 7.811,957 0.479,958 12.26,959 6.171,960 10.257,961 1.025,962 12.583,963 2.808,964 8.028,965 9.634,966 1.472,967 14.832,968 7.584,969 11.634,970 1,971 14.333,972 2.275,973 8.766,974 10.595,975 0.346,976 16.784,977 8.236,978 13.027,979 0.688,980 16.099,981 1.824,982 10.009,983 12.196,984 1.501,985 19.165,986 9.429,987 3.025,988 0.302,989 17.878,990 1.676,991 10.924,992 13.348,993 0.237,994 21.277,995 10.265,996 2.963,997 9.81,998 19.668,999 0.714,1000 12.072,1001 14.841,1002 1.556,1003 23.582,1004 11.36,1005 2.816,1006 9.352,1007 21.465,1008 4.012,1009 13.074,1010 16.092,1011 0.158,1012 25.769,1013 12.288,1014 2.572,1015 8.741,1016 23.27,1017 3.905,1018 14.182,1019 17.529,1020 1.626,1021 28.043,1022 13.339,1023 2.344,1024 7.535,1025 25.08,1026 3.795,1027 15.226,1028 18.834,1029 0.104,1030 30.267,1031 14.314,1032 2.175,1033 6.886,1034 26.894,1035 2.948,1036 16.319,1037 20.242,1038 1.706,1039 32.531,1040 15.348,1041 1.879,1042 6.287,1043 28.713,1044 2.8,1045 17.383,1046 21.575,1047 0.068,1048 34.773,1049 16.347,1050 15991,1051 27529,1052 23.868,1053 40.068,1054 53.852,1055 54.91,1056 55.262,1057 53.389,1058 53.272,1059 67.06,1060 6.117,1061 151.631,1062 49.029,1063 5.372,1064 5.598,1065 6.197,1066 5.109,1067 5.025,1068 7.012,1069 2.117,1070 16.37,1071 4.855,1072 17.595,1073 1.496,1074 1.525,1075 1.535,1076 1.483,1077 1.48,1078 1.863,1079 0.17,1080 4.212,1081 1.362,1082 3.993,1083 4.038,1084 4.246,1085 3.912,1086 7.429,1087 3.896,1088 3.92,1089 3.959,1090 4.011,1091 3.82,1092 6.456,1093 3.802,1094 3.818,1095 3.859,1096 3.872,1097 3.722,1098 5.005,1099 3.706,1100 3.72,1101 3.768,1102 3.641,1103 3.54,1104 4.93,1105 3.553,1106 3.421,1107 3.49,1108 3.369,1109 3.194,1110 4.789,1111 3.196,1112 3.274,1113 3.332,1114 3.265,1115 3.052,1116 4.361,1117 3.062,1118 3.176,1119 3.256,1120 3.233,1121 3.035,1122 4.336,1123 3.014,1124 3.148,1125 3.223,1126 2.993,1127 2.957,1128 4.037,1129 2.958,1130 0.121,1131 0.1,1132 0.179,1133 0.11,1134 0.084,1135 4.372,1136 0.111,1137 3.598,1138 0.029,1139 6.427,1140 0.273,1141 3.97,1142 0.079,1143 3.025,1144 4.012,1145 1.058,1146 9.81,1147 2.855,1148 1.911,1149 1.888,1150 2.006,1151 2.062,1152 1.314,1153 2.049,1154 1.849,1155 1.791,1156 2.005,1157 1.998,1158 1.136,1159 2.007,1160 1.692,1161 1.628,1162 1.843,1163 1.911,1164 0.964,1165 1.898,1166 1.495,1167 1.496,1168 1.677,1169 1.655,1170 0.854,1171 1.659,1172 1.385,1173 1.315,1174 1.545,1175 1.646,1176 0.825,1177 1.631,1178 1.298,1179 1.238,1180 1.532,1181 1.521,1182 0.668,1183 1.532,1184 1.204,1185 1.129,1186 1.513,1187 1.407,1188 0.605,1189 1.459,1190 1.153,1191 1.064,1192 1.513,1193 1.376,1194 0.593,1195 1.429,1196 4.29,1198 5.609,1199 2.398,1200 7.111,1201 4.595,1202 8.696,1203 6.581,1204 10.323,1206 3.742,1207 6.22,1211 9.128,1212 4.286,1213 6.061,1217 4.441,1222 37.862,1223 105.106,1224 228.043,1225 280.347,1226 313.566,1227 313.566,1228 313.566,1229 60.808,1230 7.956,1231 106.51,1232 134.75,1233 23,1234 12.611,1235 4.248,1236 3.392,1237 54.607,1238 165,1239 182,1240 0.16,1241 240.898,1242 411.56,1243 579.551,1244 36058,1245 1.7,1246 23.372,1247 0.708,1248 0.608,1249 24.225,1250 20.08,1251 15.923,1252 0.442,1253 0.329,1254 10.585,1255 14.517,1256 10.203,1257 8.418,1258 16.62,1259 11.853,1260 14.445,1261 0.289,1262 0.184,1263 15.485,1264 9.189,1265 11.81,1266 0.185,1267 0.103,1268 12.975,1269 6.588,1270 9.89,1271 0.121,1272 0.056,1273 11.004,1274 4.619,1275 7.523,1276 0.077,1277 0.029,1278 8.334,1279 2.857,1280 0.258,1281 107.355,1282 0.205,1283 31.192,1284 0.419,1285 172,1286 521.84,1287 232.562,1288 553.559,1289 745.38,1290 518,1291 200,1292 507.292,1293 253.281,1294 537.185,1295 787.64,1296 505,1297 5}
{0 CHEMBL1614701,1 2.039,2 9.815,3 3.234,4 10.461,5 102.384,6 10.898,7 0.552,8 3.88,9 3.977,10 3.747,11 3.406,12 5.143,13 3.419,14 4.367,15 4.502,16 4.17,17 3.789,18 5.626,19 3.787,20 4.575,21 4.72,22 4.313,23 3.908,24 5.974,25 3.885,26 4.605,27 4.779,28 4.414,29 3.873,30 5.96,31 3.844,32 4.549,33 4.713,34 4.164,35 3.765,36 6.036,37 3.785,38 4.562,39 4.689,40 4.272,41 3.821,42 6.169,43 3.842,44 4.586,45 4.746,46 4.239,47 3.795,48 5.983,49 3.784,50 4.555,51 4.749,52 4.302,53 3.728,54 5.806,55 3.674,56 0.255,57 0.679,58 3.015,59 3.461,60 19.199,61 3.449,62 0.538,63 1.037,64 9.729,65 5.922,66 42.845,67 5.857,68 0.872,69 1.262,70 23.78,71 7.869,72 71.232,73 7.961,74 0.832,75 1.321,76 33.428,77 8.205,78 63.717,79 8.272,80 0.944,81 1.243,82 17.834,83 7.175,84 108.942,85 7.332,86 1.045,87 1.235,88 16.589,89 7.522,90 112.204,91 6.621,92 0.901,93 1.128,94 16.171,95 7.214,96 90.926,97 6.667,98 0.973,99 1.017,100 26.345,101 8.19,102 84.24,103 7.949,104 42,105 41,106 0.356,107 0.753,108 0.855,109 0.905,110 0.905,111 0.905,112 3.341,113 0.929,114 -4.17,115 -4.11,116 -3.89,117 1,118 40.5,123 1,124 2,136 4,137 1,138 5,140 1,146 1,149 1,151 1,159 1,161 2,163 1,164 2,166 1,168 3,169 4,172 1,173 4,175 1,177 5,179 3,183 2,185 2,186 2,189 3,192 1,195 3,197 1,200 4,202 2,203 2,205 2,207 2,208 3,210 1,211 8,216 4,217 1,220 6,223 1,226 1,229 2,231 1,233 1,238 1213,239 17.922,240 17.922,241 17.922,242 17.922,243 17.922,244 15.746,245 18.997,246 10.554,247 18.585,248 14.227,249 14.227,250 14.227,251 14.227,252 14.227,253 10.912,254 21.153,255 4.957,256 15.422,257 3.353,258 1.078,259 0.494,260 0.208,261 0.208,262 0.208,263 4.016,264 1,266 1,267 1,268 553,269 3.536,271 66.456,272 150.725,275 114.279,279 1.317,280 41.631,283 1,284 0.83,285 1,286 0.6,288 1,289 1,290 0.78,291 60.583,292 265,293 4.714,294 4.038,295 6.907,296 4.258,297 3.294,298 4.67,299 2.095,300 11.539,301 3.175,302 4.256,303 3.489,304 6.343,305 3.807,306 2.878,307 3.9,308 0.776,309 9.524,310 2.692,311 4.109,312 3.223,313 6.047,314 3.688,315 2.728,316 3.664,317 0.4,318 8.648,319 2.558,320 3.719,321 3.179,322 5.738,323 3.307,324 2.364,325 3.105,327 7.429,328 2.202,329 3.45,330 2.777,331 5.009,332 2.959,333 2.101,334 2.765,336 5.856,337 1.734,338 3.112,339 2.668,340 4.883,341 2.729,342 1.796,343 2.263,345 5.049,346 1.627,347 2.878,348 2.206,349 4.334,350 2.483,351 1.573,352 2.019,354 3.971,355 1.404,356 2.801,357 1.846,358 4.163,359 2.342,360 1.4,361 1.925,363 3.664,364 1.305,365 2.618,366 1.772,367 3.809,368 2.312,369 1.377,370 1.615,372 3.006,373 1.223,374 2.337,375 1.579,376 3.551,377 1.86,378 0.949,379 1.257,381 2.282,382 0.858,383 1.797,384 1.217,385 3.364,386 1.578,387 0.664,388 0.724,389 1.493,390 0.587,391 1.72,392 0.92,393 2.826,394 1.391,395 0.471,396 0.561,397 0.903,398 0.405,399 1.279,400 0.715,401 2.764,402 0.838,403 -0.006,404 -0.007,405 -0.014,406 -0.004,407 1.065,408 0.527,409 2.432,410 0.65,411 -0.266,412 -0.313,413 -0.551,414 -0.236,415 0.797,416 0.24,417 2.359,418 0.494,419 -0.44,420 -0.521,421 -0.847,422 -0.264,423 13.433,424 0.498,425 0.754,426 0.028,427 34,428 1.259,429 16,430 0.593,431 18,432 0.667,433 24.068,434 0.891,435 29.167,436 0.694,437 26.718,438 0.99,439 6.889,440 0.255,441 6.029,442 0.223,443 0.261,445 0.365,448 1,449 0.744,450 1.144,451 0.484,452 0.767,453 0.662,454 0.773,455 0.938,456 1.005,457 0.584,458 0.67,459 0.73,460 0.712,461 0.871,462 1.093,463 0.976,464 0.962,465 0.846,466 0.946,467 1.02,468 1.14,469 0.708,470 0.893,471 1.089,472 0.94,473 1.119,474 1.081,475 0.409,476 0.733,477 1.342,478 0.779,479 1.29,480 1.367,481 0.662,482 0.939,483 1.494,484 0.967,485 1.248,486 1.075,487 0.652,488 0.902,489 1.308,490 1.005,491 1.15,492 0.893,493 0.901,494 0.854,495 1.013,496 0.892,497 5.5,498 0.123,499 3.778,500 2.194,501 2.129,502 1.285,503 0.801,504 0.585,505 0.417,506 0.198,507 7560,508 31134,509 1.992,510 35.7,512 11,514 1,515 3,520 1.709,521 1.82,522 3.224,523 1.055,525 1,528 85.632,529 2.039,530 4.315,531 4.898,532 5.184,533 5.184,534 5.184,535 2.658,536 4.607,537 4.72,538 3.374,539 1184.36,540 8.245,541 14907.7,546 226.477,547 1.541,548 4.659,549 0.19,550 0.009,551 0.092,552 0.05,553 0.052,554 0.031,555 0.019,556 0.016,557 0.013,558 0.009,559 0.481,560 0.33,561 1,562 1.539,563 131.576,564 -0.069,565 -0.097,566 -0.007,567 0.02,568 -0.089,569 0.025,570 -0.134,571 -0.008,572 0.02,573 0.162,574 -0.061,575 0.145,576 0.06,577 -0.065,578 -0.074,579 -0.024,580 0.037,581 -0.036,582 -0.042,583 -0.023,584 0.063,585 0.006,586 -0.074,587 -0.021,588 0.034,589 0.095,590 0.039,591 0.085,592 0.007,593 0.106,594 0.004,595 -0.046,596 -0.061,597 -0.07,598 0.024,599 -0.135,600 -0.188,601 -0.075,602 -0.026,603 -0.059,604 -0.166,605 -0.131,606 -0.096,607 0.033,608 0.079,609 0.123,610 -0.086,611 0.107,612 2.362,613 7.137,614 0.556,615 23.923,616 1.039,617 1.135,618 2.942,619 8.656,620 0.711,621 3.401,622 3.738,623 4.025,624 4.29,625 4.533,626 4.673,627 4.771,628 4.89,629 4.92,630 4.868,631 5.818,632 0.694,633 457.71,634 3.401,635 4.949,636 5.808,637 6.698,638 7.585,639 8.487,640 9.386,641 10.293,642 11.199,643 12.111,644 9.5,651 1,652 2,654 1,656 2,657 5,658 1,662 6,663 1,664 16,674 1,678 3,679 42,680 17,681 2,682 29,683 1,684 44,685 17,686 13,687 8,688 4,689 1,690 3,691 4,692 1,694 1,702 14,703 3,706 1,709 1,712 1,715 1,716 1,718 15,719 7,720 3,721 10,722 2,724 1,726 4,729 0.667,730 3,731 1,744 1,745 2,748 1,761 1,764 1,766 2,769 1,770 1,771 1,772 1,774 27,779 1,780 2,781 2,782 1,794 3,795 7.1,796 1,798 1,799 1,801 14.833,802 7.779,803 6.028,804 2.231,805 3.269,806 1.449,807 0.962,808 6.34,809 10.541,810 3.664,811 4.314,812 4.943,813 5.554,814 6.11,815 6.5,816 6.891,817 7.294,818 7.528,819 7.756,820 0.857,821 44,822 10.009,823 4.336,824 8.143,825 18.167,826 14.449,827 2.643,828 71.361,831 1,832 141.253,833 92.881,834 103.275,835 39.149,836 79.047,837 14.96,839 138.835,840 259.449,841 72.281,842 8.396,843 25.217,844 80.588,845 78.244,846 46.43,847 17.104,848 129.482,849 85.103,850 141.253,851 150.202,852 94.007,853 39.149,854 45.954,855 156.213,856 25.145,857 53.902,858 55.89,859 77.526,860 55.934,861 45.954,862 156.213,863 136.367,864 177.984,867 141.253,868 37.961,869 56.819,870 84.59,871 149.941,872 141.253,873 151.328,874 177.984,876 0.582,877 0.344,878 0.181,879 0.102,880 19,881 10,882 0.136,883 6,884 1,885 1.133,886 3.693,887 233.122,888 0.133,889 15,890 128.382,894 20.044,895 8.541,896 4.253,897 0.549,898 149.429,899 7.978,900 4.044,904 0.733,905 1.597,906 81.319,907 470.565,908 38,911 12.504,914 -0.679,916 43.64,917 47.653,918 0.378,919 0.8,920 0.908,921 0.961,922 0.961,923 0.961,924 4.905,925 1.4,926 5.814,927 3.971,928 4.419,929 5.001,930 2.425,931 6.663,932 4.272,933 6.142,934 1.377,935 7.404,936 3.664,937 4.111,938 4.997,940 7.65,941 3.868,942 7.477,943 0.949,944 9.097,945 3.006,946 6.047,947 7.302,948 3.697,949 10.784,950 5.807,951 8.852,952 0.664,953 10.848,954 2.282,955 6.553,956 8.124,958 12.59,959 6.241,960 10.26,961 0.471,962 12.636,963 1.493,964 7.986,965 9.935,966 5.14,967 15.259,968 7.669,969 11.692,970 -0.006,971 14.45,972 0.903,973 8.854,974 11.129,976 17.407,977 8.483,978 13.142,979 -0.266,980 16.283,981 -0.014,982 10.104,983 12.757,984 6.612,985 19.918,986 9.717,987 3.294,988 -0.44,989 18.13,990 -0.551,991 11.136,992 14.125,994 22.219,995 10.705,996 2.878,997 11.539,998 19.988,999 -0.847,1000 12.322,1001 15.684,1002 8.09,1003 24.675,1004 11.869,1005 2.728,1006 9.524,1007 21.855,1008 4.67,1009 13.428,1010 17.135,1012 27.047,1013 12.937,1014 2.364,1015 8.648,1016 23.73,1017 3.9,1018 14.596,1019 18.671,1020 9.57,1021 29.486,1022 14.078,1023 2.101,1024 7.429,1025 25.611,1026 3.664,1027 15.737,1028 20.163,1030 31.892,1031 15.185,1032 1.796,1033 5.856,1034 27.497,1035 3.105,1036 16.904,1037 21.693,1038 11.049,1039 34.328,1040 16.322,1041 1.573,1042 5.049,1043 29.388,1044 2.765,1045 18.062,1046 23.206,1048 36.751,1049 17.448,1050 7581,1051 15494,1052 18.611,1053 29.864,1054 43.574,1055 47.308,1056 46.09,1057 43.577,1058 43.192,1059 56.939,1060 6.542,1061 126.727,1062 39.542,1063 5.603,1064 6.038,1065 6.817,1066 5.307,1067 5.294,1068 7.67,1069 4.191,1070 19.207,1071 5.175,1072 16.18,1073 1.503,1074 1.631,1075 1.589,1076 1.503,1077 1.489,1078 1.963,1079 0.226,1080 4.37,1081 1.364,1082 4.134,1083 4.172,1084 6.88,1085 4.012,1086 8.201,1087 4.031,1088 3.893,1089 3.915,1090 4.119,1091 3.855,1092 7.429,1093 3.837,1094 3.624,1095 3.663,1096 3.944,1097 3.385,1098 6.457,1099 3.42,1100 3.497,1101 3.548,1102 3.569,1103 3.265,1104 4.996,1105 3.279,1106 3.25,1107 3.298,1108 3.38,1109 3.012,1110 4.923,1111 3.034,1112 3.021,1113 3.104,1114 3.238,1115 2.915,1116 4.634,1117 2.872,1118 2.893,1119 2.954,1120 3.16,1121 2.789,1122 4.366,1123 2.763,1124 2.877,1125 2.922,1126 2.813,1127 2.615,1128 4.248,1129 2.65,1130 0.163,1131 0.139,1132 0.238,1133 0.147,1134 0.114,1135 4.714,1136 0.161,1137 4.038,1138 0.072,1139 6.907,1140 0.398,1141 4.258,1142 0.109,1143 3.294,1144 4.67,1145 2.095,1146 11.539,1147 3.175,1148 1.956,1149 1.936,1150 1.996,1151 2.066,1152 1.174,1153 2.048,1154 1.841,1155 1.826,1156 1.887,1157 1.912,1158 1.049,1159 1.922,1160 1.498,1161 1.426,1162 1.738,1163 1.788,1164 0.946,1165 1.766,1166 1.461,1167 1.403,1168 1.693,1169 1.742,1170 0.754,1171 1.729,1172 1.205,1173 1.178,1174 1.302,1175 1.494,1176 0.261,1177 1.436,1178 0.995,1179 0.949,1180 1.179,1181 1.243,1182 0.256,1183 1.226,1184 0.868,1185 0.824,1186 1.129,1187 1.149,1188 0.172,1189 1.176,1190 0.855,1191 0.758,1192 1.085,1193 1.015,1194 0.126,1195 1.058,1196 4.078,1198 5.407,1199 2.398,1200 6.932,1201 4.727,1202 8.558,1203 6.823,1204 10.241,1205 3.304,1206 1.692,1207 6.201,1208 15.137,1211 8.767,1212 -0.363,1213 5.044,1214 4.853,1222 29.154,1223 85.632,1224 181.216,1225 205.722,1226 217.722,1227 217.722,1228 217.722,1229 68.247,1230 7.272,1231 88.41,1232 88.41,1233 17,1234 12.626,1235 4.17,1236 3.322,1237 46.543,1238 89,1239 120,1240 0.25,1241 188.852,1242 322.69,1243 452.558,1244 12800,1245 7.1,1246 19.552,1247 0.724,1248 0.609,1249 20.181,1250 16.435,1251 12.918,1252 0.445,1253 0.31,1254 7.712,1255 11.365,1256 7.489,1257 6.157,1258 13.356,1259 8.977,1260 11.669,1261 0.285,1262 0.169,1263 12.426,1264 6.912,1265 9.859,1266 0.179,1267 0.083,1268 10.171,1269 4.56,1270 7.964,1271 0.111,1272 0.044,1273 8.532,1274 3.189,1275 6.314,1276 0.069,1277 0.022,1278 6.491,1279 2.012,1280 0.38,1281 94.181,1282 0.232,1283 25.445,1284 0.728,1285 140,1286 554.546,1287 239.385,1288 566.313,1289 730.5,1290 524,1291 166,1292 471.144,1293 225.954,1294 489.793,1295 717.91,1296 458,1297 5}
{0 CHEMBL162,1 1.512,2 8.057,3 3.82,4 14.59,5 131.874,6 7.649,7 0.571,8 4.263,9 4.37,10 3.882,11 3.832,12 5.286,13 3.826,14 4.873,15 5.021,16 4.374,17 4.318,18 5.859,19 4.309,20 5.178,21 5.337,22 4.61,23 4.573,24 6.149,25 4.556,26 5.369,27 5.531,28 4.757,29 4.756,30 6.333,31 4.727,32 5.532,33 5.717,34 4.778,35 4.847,36 6.495,37 4.794,38 5.585,39 5.797,40 4.686,41 4.848,42 6.518,43 4.761,44 5.533,45 5.767,46 4.425,47 4.709,48 6.463,49 4.58,50 5.314,51 5.575,52 3.935,53 4.389,54 6.201,55 4.21,56 0.027,57 0.917,58 12.149,59 5.573,60 11.265,61 6.965,62 0.37,63 1.627,64 25.463,65 9.887,66 30.97,67 12.55,68 0.571,69 2.159,70 35.68,71 13.607,72 40.408,73 17.155,74 0.443,75 2.615,76 42.815,77 17.103,78 43.837,79 21.674,80 0.654,81 3.038,82 52.426,83 19.901,84 53.811,85 25.674,86 0.548,87 3.117,88 57.473,89 22.265,90 66.036,91 29.664,92 0.67,93 2.864,94 56.948,95 21.781,96 84.94,97 29.533,98 0.536,99 2.232,100 47.876,101 17.849,102 74.079,103 24.601,104 21,105 68,106 0.238,107 0.589,108 0.78,109 0.837,110 0.857,111 0.878,112 3.592,113 0.875,114 -3.69,115 -3.66,116 -3.48,118 45.9,119 1,120 1,123 2,124 1,125 2,126 1,128 1,136 8,137 6,146 4,149 1,161 13,163 2,164 11,166 1,168 3,169 14,172 3,173 12,175 1,177 2,179 13,183 16,185 3,187 3,189 17,192 2,193 15,195 2,197 2,200 19,202 1,203 13,207 10,208 18,210 1,211 8,214 1,216 10,217 12,220 4,222 1,224 2,226 10,228 1,229 1,231 1,232 1,235 4,238 1554,239 24.479,240 24.479,241 24.479,242 24.479,243 24.479,244 21.802,245 28.268,246 13.618,247 25.037,248 20.655,249 20.655,250 20.655,251 20.655,252 20.655,253 16.241,254 43.083,255 6.255,256 21.485,257 4.419,258 2.197,259 0.988,260 0.627,261 0.496,262 0.365,263 4.332,267 1,268 655,269 3.606,271 83.28,272 145.816,273 35.366,275 304.128,276 103.607,277 57.287,278 460.14,279 0.986,280 31.918,283 1,284 0.67,285 1,286 0.8,287 0.5,288 1,289 1,290 0.85,291 75,292 282,293 5.131,294 4.031,295 8.018,296 4.73,297 3.785,298 5.285,299 1.157,300 15.502,301 3.602,302 4.747,303 3.722,304 7.443,305 4.418,306 3.454,307 4.71,308 1.081,309 13.599,310 3.307,311 4.507,312 3.378,313 6.984,314 4.144,315 3.178,316 3.952,317 0.86,318 11.874,319 3.072,320 4.188,321 3.256,322 6.655,323 3.852,324 2.872,325 3.612,326 0.473,327 10.548,328 2.807,329 3.861,330 2.75,331 6.172,332 3.462,333 2.505,334 3.412,335 0.4,336 8.784,337 2.39,338 3.691,339 2.678,340 6.05,341 3.365,342 2.389,343 3.043,344 0.297,345 8.42,346 2.333,347 3.521,348 2.532,349 5.844,350 3.181,351 2.236,352 2.862,354 7.654,355 2.107,356 3.408,357 2.327,358 5.654,359 3.06,360 2.07,361 2.62,363 7.069,364 2.039,365 3.126,366 2.011,367 5.264,368 2.736,369 1.766,370 2.23,372 5.664,373 1.703,374 2.932,375 1.901,376 4.97,377 2.54,378 1.589,379 2.097,381 4.926,382 1.508,383 2.867,384 1.705,385 4.719,386 2.428,387 1.435,388 1.997,389 4.264,390 1.418,391 2.855,392 1.494,393 4.14,394 2.38,395 1.381,396 1.957,397 3.045,398 1.378,399 2.662,400 1.399,401 4.027,402 2.198,403 1.228,404 1.722,405 2.917,406 1.19,407 2.371,408 1.286,409 3.853,410 2.063,411 1.138,412 1.342,413 2.822,414 1.044,415 2.126,416 1.149,417 3.658,418 1.879,419 0.939,420 1.064,421 2.394,422 0.876,423 16.6,424 0.474,425 1.022,426 0.029,427 44.25,428 1.264,429 19.5,430 0.557,431 24.75,432 0.707,433 38.341,434 1.095,435 36.2,436 0.593,437 38.554,438 1.102,439 8.525,440 0.244,441 8.555,442 0.244,443 0.11,444 0.03,445 0.47,449 0.835,450 1.254,451 0.724,452 1.006,453 0.653,454 0.868,455 1.08,456 0.99,457 0.771,458 0.782,459 0.702,460 0.734,461 1.178,462 0.948,463 0.845,464 0.816,465 0.866,466 0.782,467 1.13,468 1.078,469 0.889,470 0.967,471 0.838,472 0.905,473 1.163,474 1.028,475 1.047,476 1.013,477 0.793,478 1.007,479 0.983,480 1.072,481 1.033,482 1.076,483 0.852,484 1.062,485 0.911,486 1.07,487 1.128,488 1.151,489 1.067,490 1.171,491 0.945,492 1.048,493 1.216,494 1.192,495 1.274,496 1.241,497 5.5,498 0.025,499 4.667,500 4.84,501 3.922,502 2.588,503 2.086,504 0.973,505 0.411,506 0.147,507 14300,508 32464,509 2.268,510 42.6,512 18,513 1,515 2,518 3,519 2,520 1.784,521 2.111,522 2.956,523 0.134,528 92.203,529 1.512,530 3.734,531 4.943,532 5.303,533 5.435,534 5.566,535 2.248,536 4.879,537 5.104,538 3.062,539 1821.68,540 9.056,541 24785.1,546 361.775,547 1.549,548 5.058,549 0.131,550 0.006,551 0.069,552 0.057,553 0.04,554 0.027,555 0.024,556 0.015,557 0.012,558 0.009,559 0.39,560 0.5,561 0.75,562 0.74,563 176.229,564 -0.039,565 -0.127,566 0.085,567 -0.022,568 -0.069,569 0.039,570 0.025,571 0.11,572 0.133,573 0.176,574 0.003,575 0.171,576 0.021,577 0.123,578 0.086,579 0.145,580 -0.019,581 0.13,582 -0.05,583 -0.027,584 0.031,585 0.007,586 -0.01,587 0.025,588 -0.078,589 0.018,590 -0.099,591 -0.05,592 -0.007,593 -0.072,594 -0.06,595 -0.083,596 -0.068,597 -0.089,598 0.009,599 -0.08,600 -0.002,601 -0.123,602 -0.134,603 -0.156,604 0.019,605 -0.163,606 -0.054,607 -0.137,608 -0.187,609 -0.192,610 -0.098,611 -0.208,612 2.01,613 6.322,614 0.829,615 25.211,616 1.002,617 1.118,618 2.464,619 6.07,620 0.685,621 3.761,622 4.234,623 4.727,624 5.226,625 5.652,626 6.045,627 6.441,628 6.802,629 7.081,630 7.347,631 5.059,632 0.656,633 466.58,634 3.761,635 5.398,636 6.365,637 7.357,638 8.348,639 9.353,640 10.354,641 11.364,642 12.369,643 13.381,644 6.6,646 1,651 1,652 2,656 8,657 8,662 2,663 2,664 24,670 1,679 61,680 25,681 3,682 42,684 68,685 28,686 18,687 10,688 8,689 1,690 8,691 80,694 1,697 4,700 4,702 19,703 9,706 1,709 1,712 1,718 26,719 5,720 2,721 7,726 4,729 0.125,730 3,741 2,744 3,745 4,746 1,748 6,749 2,750 1,751 7,762 1,765 2,766 1,770 3,774 35,780 2,781 2,782 2,784 3,786 1,795 4.9,798 1,799 2,801 16.583,802 12.067,803 7.347,804 3.789,805 5.329,806 1.503,807 1.089,808 3.859,809 15.919,810 4.025,811 4.787,812 5.612,813 6.453,814 7.231,815 7.931,816 8.645,817 9.319,818 9.871,819 10.431,820 0.667,821 85,822 13.078,823 6.105,824 7.545,825 25.55,826 23.506,827 2.045,828 71.583,832 282.506,833 138.499,834 39.82,836 47.145,839 138.499,840 329.651,841 39.82,842 28.105,843 22.651,844 93.821,845 51.849,846 20.461,847 20.348,848 270.735,850 282.506,851 178.319,852 47.145,855 247.193,856 60.458,857 22,858 53.285,859 125.034,862 282.506,863 86.964,864 138.499,867 282.506,868 34.584,869 107.713,870 36.022,871 47.145,872 282.506,873 86.964,874 138.499,876 0.603,877 0.395,878 0.252,879 0.152,880 43,881 18,882 0.029,883 2,884 10,885 1.586,886 4.034,887 446.328,888 0.69,889 26,890 177.525,894 20.312,895 6.65,896 2.213,897 8.778,898 83.166,899 16.886,904 1.884,905 4.7,906 36.022,907 507.97,908 55,911 13.322,914 0.004,916 61.109,917 68.189,918 0.255,919 0.63,920 0.833,921 0.894,922 0.916,923 0.938,924 5.357,925 2.07,926 6.425,927 7.654,928 4.92,929 5.476,930 2.133,931 7.461,932 4.844,933 6.635,934 1.766,935 8.118,936 7.069,937 4.796,938 5.602,940 8.844,941 4.675,942 8.027,943 1.589,944 9.919,945 5.664,946 6.744,947 7.923,948 2.149,949 12.085,950 6.587,951 9.463,952 1.435,953 11.786,954 4.926,955 7.468,956 8.919,958 14.301,959 7.255,960 10.937,961 1.381,962 13.695,963 4.264,964 8.937,965 10.764,966 2.286,967 17.129,968 8.689,969 12.438,970 1.228,971 15.635,972 3.045,973 10.007,974 12.137,976 19.656,977 9.702,978 13.961,979 1.138,980 17.596,981 2.917,982 11.334,983 13.829,984 2.465,985 22.381,986 10.988,987 3.785,988 0.939,989 19.575,990 2.822,991 12.541,992 15.361,994 25.023,995 12.139,996 3.454,997 15.502,998 21.568,999 2.394,1000 13.834,1001 17.009,1002 2.668,1003 27.73,1004 13.386,1005 3.178,1006 13.599,1007 23.573,1008 5.285,1009 15.094,1010 18.606,1012 30.416,1013 14.592,1014 2.872,1015 11.874,1016 25.587,1017 4.71,1018 16.385,1019 20.245,1020 2.888,1021 33.125,1022 15.834,1023 2.505,1024 10.548,1025 27.61,1026 3.952,1027 17.669,1028 21.871,1030 35.831,1031 17.065,1032 2.389,1033 8.784,1034 29.639,1035 3.612,1036 18.965,1037 23.512,1038 3.12,1039 38.547,1040 18.311,1041 2.236,1042 8.42,1043 31.674,1044 3.412,1045 20.262,1046 25.151,1048 41.264,1049 19.555,1050 12834,1051 19467,1052 28.668,1053 41.762,1054 67.299,1055 68.73,1056 71.374,1057 67.01,1058 67.063,1059 87.688,1060 8.536,1061 226.373,1062 64.499,1063 6.131,1064 6.031,1065 7.696,1066 5.862,1067 5.785,1068 8.285,1069 2.315,1070 24.331,1071 5.602,1072 14.98,1073 1.602,1074 1.636,1075 1.699,1076 1.595,1077 1.597,1078 2.088,1079 0.203,1080 5.39,1081 1.536,1082 4.366,1083 4.389,1084 4.351,1085 4.286,1086 7.429,1087 4.299,1088 4.019,1089 4.046,1090 3.986,1091 3.953,1092 5.093,1093 3.957,1094 3.852,1095 3.888,1096 3.781,1097 3.692,1098 4.812,1099 3.707,1100 3.726,1101 3.764,1102 3.658,1103 3.623,1104 4.7,1105 3.624,1106 3.488,1107 3.552,1108 3.401,1109 3.305,1110 4.465,1111 3.324,1112 3.397,1113 3.461,1114 3.272,1115 3.228,1116 4.409,1117 3.23,1118 3.27,1119 3.347,1120 3.134,1121 3.066,1122 4.253,1123 3.067,1124 3.221,1125 3.293,1126 3.042,1127 2.985,1128 4.076,1129 2.985,1130 0.122,1131 0.096,1132 0.191,1133 0.113,1134 0.09,1135 5.131,1136 0.126,1137 4.031,1138 0.028,1139 8.018,1140 0.369,1141 4.73,1142 0.086,1143 3.785,1144 5.285,1145 1.157,1146 15.502,1147 3.602,1148 2.036,1149 2.028,1150 2.08,1151 2.088,1152 1.366,1153 2.075,1154 1.955,1155 1.93,1156 2.053,1157 2.068,1158 1.349,1159 2.07,1160 1.889,1161 1.856,1162 1.955,1163 2.019,1164 1.166,1165 2.003,1166 1.787,1167 1.751,1168 1.944,1169 1.937,1170 1.137,1171 1.944,1172 1.39,1173 1.33,1174 1.675,1175 1.663,1176 0.845,1177 1.656,1178 1.379,1179 1.319,1180 1.604,1181 1.634,1182 0.758,1183 1.632,1184 1.293,1185 1.223,1186 1.577,1187 1.55,1188 0.67,1189 1.553,1190 1.195,1191 1.115,1192 1.54,1193 1.493,1194 0.591,1195 1.517,1196 4.443,1198 5.878,1199 3.434,1200 7.529,1201 6.009,1202 9.284,1203 8.32,1204 11.098,1206 5.922,1212 1.286,1213 6.64,1214 13.258,1216 -0.335,1218 -0.76,1222 40.025,1223 92.203,1224 227.775,1225 301.51,1226 323.51,1227 331.51,1228 339.51,1229 51.729,1230 10.59,1231 69.45,1232 69.45,1233 46,1234 13.834,1235 4.7,1236 3.807,1237 39.627,1238 112,1239 104,1240 0.19,1241 230.101,1242 383.55,1243 553.206,1244 628354,1246 23.637,1247 0.675,1248 0.568,1249 23.637,1250 19.884,1251 17.08,1252 0.407,1253 0.292,1254 12.073,1255 16.441,1256 11.765,1257 9.596,1258 17.08,1259 12.253,1260 16.322,1261 0.24,1262 0.149,1263 16.322,1264 10.137,1265 15.926,1266 0.142,1267 0.077,1268 15.926,1269 8.596,1270 15.835,1271 0.086,1272 0.04,1273 15.835,1274 7.334,1275 14.487,1276 0.051,1277 0.02,1278 14.487,1279 5.703,1280 0.273,1281 106.923,1282 0.187,1283 29.807,1284 0.616,1285 220,1286 539.163,1287 239.789,1288 517.065,1289 750.66,1290 492,1291 290,1292 592.552,1293 312.869,1294 597.473,1295 923.77,1296 568,1297 5}
{0 CHEMBL1721885,1 1.672,2 13.219,3 1.477,4 2.182,5 119.219,6 7.501,7 0.314,8 4.185,9 4.306,10 3.74,11 3.66,12 5.304,13 3.661,14 4.749,15 4.924,16 4.121,17 4.065,18 5.87,19 4.049,20 4.994,21 5.19,22 4.166,23 4.207,24 6.128,25 4.159,26 5.082,27 5.314,28 4.121,29 4.214,30 6.167,31 4.135,32 5.078,33 5.306,34 4.098,35 4.128,36 6.304,37 4.069,38 5.032,39 5.27,40 4.038,41 4.095,42 6.228,43 4.026,44 4.95,45 5.189,46 4.002,47 4.053,48 6.049,49 3.982,50 4.921,51 5.134,52 3.934,53 3.971,54 6.219,55 3.912,56 0.129,57 0.935,58 12.267,59 5.279,60 17.348,61 6.821,62 0.457,63 1.484,64 24.332,65 8.676,66 43.105,67 11.737,68 0.745,69 1.768,70 32.893,71 11.091,72 76.178,73 14.938,74 0.645,75 1.804,76 36.882,77 12.412,78 78.284,79 17.496,80 0.989,81 1.7,82 38.43,83 11.551,84 138.129,85 16.051,86 0.998,87 1.624,88 36.999,89 11.059,90 136.547,91 15.668,92 0.68,93 1.529,94 33.085,95 10.501,96 72.144,97 15.142,98 0.893,99 1.494,100 32.436,101 9.999,102 129.414,103 13.339,104 37,105 50,106 0.272,107 0.637,108 0.797,109 0.866,110 0.866,111 0.866,112 3.502,113 0.91,114 -2.31,115 -2.34,116 -2.31,118 39,119 2,124 6,125 1,131 1,132 1,136 3,137 3,138 2,146 2,149 2,161 6,164 2,166 2,168 8,169 7,172 1,173 3,175 1,176 1,177 6,179 8,183 4,185 2,186 1,187 3,189 7,193 3,195 2,196 1,197 4,200 5,202 1,203 4,205 1,207 5,208 4,211 3,214 1,215 1,216 5,217 4,219 1,220 3,222 3,223 1,224 2,226 3,228 1,229 3,233 2,235 1,238 1848,239 21.223,240 21.223,241 21.223,242 21.223,243 21.223,244 19.391,245 27.43,246 12.368,247 21.716,248 17.25,249 17.25,250 17.25,251 17.25,252 17.25,253 14.312,254 32.432,255 5.9,256 18.022,257 4.211,258 1.97,259 0.988,260 0.568,261 0.568,262 0.568,263 4.192,266 1,267 1,268 916,269 3.873,271 171.946,272 218.907,275 145.076,279 2.219,280 48.49,283 1,284 1,285 1,286 1,287 1,288 1,289 1,290 1,291 71.5,292 423,293 4.619,294 3.668,295 6.845,296 4.246,297 3.256,298 4.332,299 1.058,300 11.258,301 3.22,302 4.49,303 3.636,304 6.721,305 4.136,306 3.146,307 4.111,308 1.058,309 10.906,310 3.113,311 3.83,312 3.004,313 5.706,314 3.555,315 2.629,316 3.258,317 0.86,318 7.539,319 2.437,320 3.66,321 2.972,322 5.487,323 3.399,324 2.421,325 2.903,326 0.8,327 7.378,328 2.358,329 3.587,330 2.95,331 5.451,332 3.262,333 2.293,334 2.626,336 6.677,337 2.216,338 3.323,339 2.546,340 4.967,341 3.048,342 2.109,343 2.56,345 5.747,346 1.966,347 3.196,348 2.495,349 4.912,350 2.883,351 1.917,352 2.351,354 5.55,355 1.826,356 3.087,357 2.204,358 4.775,359 2.782,360 1.804,361 2.149,363 5.012,364 1.753,365 3.032,366 2.075,367 4.706,368 2.634,369 1.639,370 2.111,372 4.753,373 1.619,374 2.707,375 1.951,376 4.375,377 2.331,378 1.429,379 1.732,381 3.768,382 1.306,383 2.419,384 1.554,385 3.644,386 2.242,387 1.311,388 1.412,389 3.007,390 1.188,391 2.357,392 1.256,393 3.577,394 1.952,395 1,396 1.179,397 2.188,398 0.946,399 2,400 1.19,401 3.247,402 1.799,403 0.819,404 1,405 2.136,406 0.799,407 1.625,408 0.939,409 3.146,410 1.438,411 0.483,412 0.519,413 1.121,414 0.457,415 1.511,416 0.82,417 2.92,418 1.085,419 0.113,420 0.149,421 0.285,422 0.108,423 14.719,424 0.46,425 0.929,426 0.029,427 36.25,428 1.133,429 15,430 0.469,431 21.25,432 0.664,433 31.146,434 0.973,435 36.281,436 0.615,437 30.786,438 0.962,439 7.488,440 0.234,441 7.842,442 0.245,443 0.155,445 0.401,448 1,449 0.768,450 1.261,451 0.784,452 1.135,453 0.625,454 0.986,455 0.859,456 1.071,457 0.836,458 0.962,459 0.593,460 0.899,461 1.034,462 1.034,463 1.058,464 1.015,465 0.954,466 1.035,467 0.774,468 1.001,469 0.944,470 1.111,471 0.819,472 1.074,473 1.077,474 0.887,475 0.994,476 0.936,477 1.208,478 0.949,479 0.972,480 0.899,481 0.956,482 0.883,483 1.028,484 0.906,485 0.772,486 0.885,487 0.855,488 0.976,489 0.761,490 0.943,491 1.213,492 1.039,493 1.15,494 1.063,495 1.377,496 1.096,497 7,498 0.18,499 3.778,500 3.431,501 1.814,502 1.022,503 0.88,504 0.638,505 0.43,506 0.274,507 15023,508 43244,509 2.045,510 45.8,511 3,512 17,515 4,516 3,520 1.743,521 1.882,522 3.644,523 1.601,525 1,528 98.652,529 1.672,530 3.913,531 4.895,532 5.315,533 5.315,534 5.315,535 3.082,536 4.813,537 4.969,538 3.863,539 1916.02,540 8.683,541 28585.6,543 1,546 347.076,547 1.505,548 4.914,549 0.2,550 0.007,551 0.076,552 0.069,553 0.039,554 0.023,555 0.021,556 0.016,557 0.012,558 0.009,559 0.471,560 0.17,561 1,562 0.609,563 169.78,564 -0.086,565 -0.109,566 0.026,567 -0.008,568 -0.065,569 0.031,570 -0.043,571 -0.023,572 0.057,573 0.075,574 0.03,575 0.088,576 -0.095,577 0.002,578 -0.12,579 -0.003,580 -0.069,581 -0.057,582 -0.002,583 -0.071,584 -0.005,585 -0.119,586 0.003,587 -0.071,588 -0.029,589 -0.008,590 0.006,591 0.017,592 -0.032,593 0.015,594 0.022,595 0.023,596 0.041,597 0.076,598 0.027,599 0.068,600 0.049,601 -0.01,602 0.105,603 -0.002,604 0.031,605 0.053,606 -0.06,607 -0.081,608 -0.145,609 -0.1,610 -0.054,611 -0.145,612 2.096,613 5.816,614 0.625,615 36,616 1.014,617 1.138,618 1.078,619 1.163,620 0.643,621 3.584,622 3.932,623 4.205,624 4.489,625 4.644,626 4.663,627 4.82,628 4.934,629 4.942,630 5.011,631 7.755,632 0.621,633 442.54,634 3.584,635 5.142,636 5.999,637 6.891,638 7.767,639 8.663,640 9.55,641 10.449,642 11.342,643 12.245,644 6.8,647 1,651 2,652 1,657 3,659 1,662 7,664 11,670 1,678 1,679 59,680 14,681 1,682 35,684 62,685 23,686 10,687 3,688 3,689 4,690 4,691 5,694 2,700 1,702 14,703 9,706 3,709 2,710 1,712 3,715 1,716 1,718 27,719 8,720 4,721 9,726 4,729 0.75,730 4,732 1,741 1,744 2,745 2,748 1,755 1,758 1,759 1,763 1,764 1,765 1,766 3,770 2,772 1,774 32,779 1,780 6,781 2,782 1,784 1,785 1,794 1,795 6.8,796 1,798 2,799 1,801 17,802 10.96,803 6.944,804 3.472,805 2.828,806 1.362,807 0.959,808 6.767,809 10.638,810 3.795,811 4.366,812 4.917,813 5.478,814 5.914,815 6.203,816 6.615,817 7.018,818 7.292,819 7.613,820 0.889,821 50,822 11.977,823 5.266,824 8,825 22.41,826 18.613,827 2.5,828 80,832 270.735,833 112.706,834 55.931,836 103.973,837 14.96,839 112.706,840 374.708,841 70.891,842 17.65,843 53.629,844 80.588,845 70.699,846 44.53,847 20.474,848 270.735,850 270.735,851 168.637,852 118.933,855 285.695,856 50.29,857 53.683,858 91.189,859 67.972,860 9.476,862 285.695,863 159.904,864 112.706,867 270.735,868 57.15,869 58.68,870 52.807,871 118.933,872 270.735,873 174.865,874 112.706,876 0.59,877 0.345,878 0.19,879 0.1,880 24,881 12,882 0.097,883 6,884 1,885 1.1,886 4.303,887 289.601,888 0.1,889 20,890 156,894 22.679,895 9.549,896 4.968,898 158.079,899 4.132,901 3.144,904 2.994,906 95.49,907 558.306,908 43.5,911 25.206,912 1.632,914 -0.296,916 59.832,917 67.153,918 0.284,919 0.665,920 0.832,921 0.903,922 0.903,923 0.903,924 5.067,925 1.804,926 6.004,927 5.55,928 4.615,929 5.053,930 2.069,931 6.838,932 4.542,933 6.273,934 1.639,935 7.581,936 5.012,937 4.29,938 4.966,939 0.325,940 7.781,941 4.213,942 7.589,943 1.429,944 9.258,945 4.753,946 6.232,947 7.206,948 2.025,949 10.91,950 6.115,951 8.94,952 1.311,953 10.992,954 3.768,955 6.711,956 7.948,957 0.268,958 12.717,959 6.605,960 10.326,961 1,962 12.766,963 3.007,964 8.156,965 9.709,966 2.041,967 15.374,968 8.018,969 11.738,970 0.819,971 14.568,972 2.188,973 9.009,974 10.833,975 0.188,976 17.545,977 8.884,978 13.171,979 0.483,980 16.392,981 2.136,982 10.268,983 12.41,984 2.087,985 20.041,986 10.122,987 3.256,988 0.113,989 18.234,990 1.121,991 11.294,992 13.711,993 0.125,994 22.358,995 11.155,996 3.146,997 11.258,998 20.09,999 0.285,1000 12.485,1001 15.212,1002 2.152,1003 24.797,1004 12.332,1005 2.629,1006 10.906,1007 21.957,1008 4.332,1009 13.588,1010 16.593,1011 0.082,1012 27.17,1013 13.436,1014 2.421,1015 7.539,1016 23.834,1017 4.111,1018 14.757,1019 18.064,1020 2.229,1021 29.589,1022 14.595,1023 2.293,1024 7.378,1025 25.719,1026 3.258,1027 15.894,1028 19.481,1029 0.054,1030 31.984,1031 15.728,1032 2.109,1033 6.677,1034 27.609,1035 2.903,1036 17.057,1037 20.94,1038 2.315,1039 34.397,1040 16.883,1041 1.917,1042 5.747,1043 29.505,1044 2.626,1045 18.209,1046 22.374,1047 0.035,1048 36.8,1049 18.029,1050 14279,1051 24393,1052 22.887,1053 37.915,1054 53.6,1055 55.464,1056 55.242,1057 52.785,1058 52.738,1059 64.783,1060 7.553,1061 154.651,1062 50.627,1063 5.619,1064 5.668,1065 6.647,1066 5.349,1067 5.256,1068 7.332,1069 2.117,1070 18.421,1071 5.22,1072 18.061,1073 1.531,1074 1.585,1075 1.578,1076 1.508,1077 1.507,1078 1.851,1079 0.216,1080 4.419,1081 1.446,1082 4.086,1083 4.116,1084 4.051,1085 3.991,1086 8.201,1087 4.002,1088 3.94,1089 3.971,1090 3.904,1091 3.84,1092 7.431,1093 3.85,1094 3.828,1095 3.888,1096 3.711,1097 3.614,1098 7.427,1099 3.629,1100 3.59,1101 3.647,1102 3.481,1103 3.377,1104 6.449,1105 3.392,1106 3.465,1107 3.49,1108 3.409,1109 3.317,1110 4.819,1111 3.329,1112 3.241,1113 3.3,1114 3.157,1115 3.024,1116 4.647,1117 3.008,1118 3.202,1119 3.284,1120 2.989,1121 2.947,1122 4.623,1123 2.985,1124 3.111,1125 3.206,1126 2.879,1127 2.941,1128 4.083,1129 2.91,1130 0.132,1131 0.105,1132 0.196,1133 0.121,1134 0.093,1135 4.619,1136 0.124,1137 3.668,1138 0.03,1139 6.845,1140 0.322,1141 4.246,1142 0.092,1143 3.256,1144 4.332,1145 1.058,1146 11.258,1147 3.22,1148 1.891,1149 1.872,1150 1.97,1151 2.002,1152 1.274,1153 1.995,1154 1.766,1155 1.718,1156 1.966,1157 1.97,1158 1.114,1159 1.97,1160 1.708,1161 1.672,1162 1.852,1163 1.871,1164 1.06,1165 1.861,1166 1.644,1167 1.598,1168 1.794,1169 1.835,1170 0.983,1171 1.823,1172 1.5,1173 1.443,1174 1.75,1175 1.723,1176 0.873,1177 1.734,1178 1.346,1179 1.302,1180 1.545,1181 1.582,1182 0.825,1183 1.56,1184 1.153,1185 1.064,1186 1.513,1187 1.418,1188 0.612,1189 1.429,1190 1.094,1191 1.024,1192 1.382,1193 1.376,1194 0.551,1195 1.409,1196 4.263,1198 5.602,1199 3.045,1200 7.119,1201 5.533,1202 8.718,1203 7.703,1204 10.363,1206 3.56,1208 13.696,1211 10.286,1212 3.421,1213 5.511,1214 5.301,1216 -0.688,1217 2.102,1222 36.65,1223 98.652,1224 230.856,1225 288.811,1226 313.566,1227 313.566,1228 313.566,1229 82.082,1230 7.81,1231 110.45,1232 110.45,1233 22,1234 12.767,1235 3.907,1236 3.248,1237 52.053,1238 148,1239 158,1240 0.169,1241 222.762,1242 399.33,1243 535.299,1244 29143,1245 1.7,1246 22.828,1247 0.713,1248 0.566,1249 21.957,1250 18.127,1251 15.329,1252 0.438,1253 0.303,1254 10.421,1255 14.566,1256 10.17,1257 8.35,1258 14.936,1259 10.617,1260 14.264,1261 0.285,1262 0.163,1263 13.63,1264 8.143,1265 11.755,1266 0.178,1267 0.088,1268 11.413,1269 5.827,1270 10.057,1271 0.114,1272 0.047,1273 9.845,1274 4.152,1275 7.72,1276 0.075,1277 0.025,1278 7.391,1279 2.626,1280 0.27,1281 97.458,1282 0.209,1283 30.254,1284 0.45,1285 170,1286 578.111,1287 191.152,1288 521.376,1289 690.62,1290 486,1291 201,1292 484.825,1293 221.263,1294 482.895,1295 710.76,1296 454,1297 5}
{0 CHEMBL1789941,1 1.454,2 8.217,3 2.741,4 7.514,5 87.719,6 7.473,7 0.577,8 3.83,9 3.964,10 3.419,11 3.379,12 4.917,13 3.361,14 4.393,15 4.579,16 3.766,17 3.812,18 5.342,19 3.761,20 4.662,21 4.912,22 3.726,23 3.893,24 5.519,25 3.793,26 4.671,27 4.931,28 3.794,29 3.896,30 5.617,31 3.814,32 4.649,33 4.893,34 3.712,35 3.876,36 5.675,37 3.777,38 4.555,39 4.837,40 3.475,41 3.656,42 5.585,43 3.543,44 4.166,45 4.425,46 3.14,47 3.392,48 5.114,49 3.28,50 4.06,51 4.274,52 3.265,53 3.408,54 5.073,55 3.326,56 0.041,57 0.682,58 8.241,59 3.401,60 9.986,61 4.712,62 0.131,63 1.111,64 15.972,65 6.023,66 16.474,67 8.592,68 0.168,69 1.289,70 23.327,71 7.929,72 29.134,73 11.904,74 0.319,75 1.31,76 24.085,77 7.725,78 35.496,79 11.607,80 0.191,81 1.284,82 22.816,83 7.672,84 37.649,85 11.491,86 0.341,87 1.111,88 22.197,89 6.431,90 46.383,91 9.929,92 0.152,93 0.763,94 14.408,95 4.675,96 28.391,97 7.021,98 0.105,99 0.743,100 11.964,101 4.393,102 18.547,103 6.355,104 4,105 36,106 0.253,107 0.65,108 0.797,109 0.84,110 0.84,111 0.84,112 3.189,113 0.93,114 -3.52,115 -3.5,116 -3.34,118 41.5,120 5,121 1,125 1,136 1,137 2,139 1,140 1,142 1,145 2,149 1,152 1,157 1,161 6,163 1,164 8,166 1,168 2,169 7,173 6,179 3,182 3,183 8,185 1,187 1,189 4,192 1,193 6,200 2,202 2,203 5,205 2,208 4,211 2,217 4,219 1,220 5,224 2,226 4,229 3,233 2,235 2,238 634,239 16.215,240 16.215,241 16.215,242 16.215,243 16.215,244 14.344,245 6.822,246 9.756,247 16.506,248 12.839,249 12.839,250 12.839,251 12.839,252 12.839,253 10.007,254 4.471,255 4.518,256 13.317,257 3.904,258 1.625,259 0.78,260 0.537,261 0.537,262 0.537,263 3.888,265 1,266 1,267 1,268 419,269 2.828,271 170.596,272 59.764,275 89.897,279 1.338,280 15.978,281 1,282 1,283 1,284 1,285 1,286 0.8,287 0.5,288 1,289 1,290 0.9,291 49,292 189,293 4.587,294 4.046,295 6.708,296 4.141,297 3.169,298 4.516,299 2.308,300 10.904,301 3.079,302 4.226,303 3.197,304 6.498,305 3.961,306 2.991,307 3.803,309 10.176,310 2.904,311 3.822,312 3.047,313 5.787,314 3.498,315 2.526,316 3.076,318 7.9,319 2.452,320 3.452,321 2.526,322 5.228,323 3.085,324 2.119,325 2.582,327 6.277,328 2.044,329 3.369,330 2.156,331 4.594,332 2.625,333 1.661,334 2.322,336 4.488,337 1.598,338 3.048,339 1.721,340 4.13,341 2.479,342 1.548,343 2.077,345 3.65,346 1.438,347 2.878,348 1.548,349 3.907,350 2.216,351 1.255,352 1.857,354 3.132,355 1.202,356 2.5,357 1.345,358 3.404,359 2.076,360 1.09,361 1.5,363 2.231,364 1.073,365 2.395,366 1.107,367 3.312,368 1.947,369 1,370 1.287,372 2.201,373 0.945,374 2.169,375 1,376 3.28,377 1.666,378 0.73,379 1.035,381 1.733,382 0.681,383 1.922,384 0.737,385 3.122,386 1.618,387 0.618,388 0.652,389 1.372,390 0.618,391 1.735,392 0.618,393 3,394 1.389,395 0.447,396 0.618,397 1.129,398 0.42,399 1.618,400 0.443,401 2.786,402 1.273,403 0.315,404 0.42,405 0.628,406 0.301,407 0.902,408 0.204,409 2.429,410 0.402,411 -0.539,412 -0.751,413 -1.225,414 -0.505,415 0.693,416 -0.551,417 2.188,418 0.209,419 -0.743,420 -1.039,421 -1.489,422 -0.705,423 10.9,424 0.474,425 0.393,426 0.017,427 30.5,428 1.326,429 15,430 0.652,431 15.5,432 0.674,433 18.157,434 0.789,435 23.9,436 0.583,437 18.79,438 0.817,439 5.394,440 0.235,441 5.971,442 0.26,443 0.037,445 0.312,449 0.766,450 1.309,451 0.758,452 1.077,453 0.43,454 0.944,455 0.858,456 1.159,457 0.92,458 1.086,459 0.486,460 1.025,461 0.927,462 1.137,463 0.95,464 1.069,465 0.691,466 1.023,467 0.927,468 0.81,469 0.856,470 0.799,471 0.718,472 0.814,473 0.971,474 1.162,475 1.026,476 1.129,477 0.966,478 1.093,479 1.158,480 0.826,481 1.069,482 0.89,483 1.744,484 0.954,485 1.165,486 0.874,487 1.085,488 0.927,489 1.718,490 0.983,491 0.894,492 1.064,493 1.019,494 1.098,495 0.791,496 1.08,497 3,498 0.037,499 2.667,500 1.215,501 0.733,502 0.647,503 0.376,504 0.172,505 0.136,506 0.096,507 5727,508 13930,509 2.196,510 43.9,511 8,512 2,513 2,514 2,515 1,516 2,517 1,520 1.66,521 2.123,522 3.049,523 -0.284,524 1,525 1,526 1,528 59.604,529 1.454,530 3.732,531 4.577,532 4.821,533 4.821,534 4.821,535 2.392,536 3.762,537 4.498,538 3.233,539 817.862,540 7.757,541 9238.71,542 1,543 1,545 1,546 219.66,547 1.121,548 4.483,549 0.115,550 0.004,551 0.074,552 0.037,553 0.02,554 0.02,555 0.016,556 0.01,557 0.006,558 0.005,559 0.308,560 0.33,561 1,562 0.787,563 106.314,564 0.081,565 -0.125,566 0.074,567 -0.046,568 0.165,569 0.003,570 0.035,571 -0.064,572 -0.03,573 -0.078,574 0.037,575 -0.066,576 -0.043,577 -0.179,578 0.016,579 -0.073,580 0.018,581 -0.029,582 0.102,583 0.166,584 0.135,585 0.167,586 0.055,587 0.157,588 -0.037,589 -0.184,590 -0.064,591 -0.146,592 0.006,593 -0.115,594 0.014,595 0.129,596 -0.044,597 0.033,598 -0.207,599 -0.006,600 -0.215,601 0.088,602 -0.107,603 0.053,604 -0.279,606 -0.033,607 -0.032,608 -0.1,609 -0.089,610 0.035,611 -0.101,612 1.167,613 3.18,614 0.826,615 17.149,616 0.998,617 1.134,618 2.291,619 5.25,620 0.673,621 3.296,622 3.611,623 3.951,624 4.263,625 4.357,626 4.489,627 4.625,628 4.71,629 4.71,630 4.787,631 5.368,632 0.641,633 306.41,634 3.296,635 4.828,636 5.7,637 6.589,638 7.478,639 8.373,640 9.267,641 10.164,642 11.061,643 11.959,644 14.6,652 2,653 1,654 3,656 2,657 5,658 3,659 1,662 2,663 1,664 15,679 41,680 16,682 26,684 44,685 17,686 9,690 4,691 5,697 4,698 1,700 6,701 1,702 9,703 7,704 1,714 1,715 1,718 18,719 4,720 1,721 6,726 6,729 0.75,737 1,740 1,741 1,744 3,745 1,748 1,754 1,766 3,774 23,780 5,784 2,787 1,791 1,793 1,801 10.833,802 7.333,803 5.139,804 2.704,805 3.068,806 1.427,807 1.004,808 3.749,809 10.256,810 3.597,811 4.167,812 4.804,813 5.449,814 5.872,815 6.293,816 6.75,817 7.161,818 7.331,819 7.705,820 1,821 33,822 8.479,823 3.648,824 7.623,825 16.561,826 14.166,827 2.123,828 48.833,831 1,832 200.109,833 84.742,834 99.856,839 84.742,840 200.109,841 99.856,843 12.673,844 27.571,845 92.093,846 75.803,847 23.542,848 153.024,850 200.109,851 184.598,855 188.338,856 11.771,858 84.432,859 49.931,860 50.234,862 200.109,863 99.856,864 84.742,867 200.109,868 22.903,869 47.014,870 33.387,871 81.293,872 200.109,873 99.856,874 84.742,876 0.568,877 0.35,878 0.21,879 0.101,880 19,881 7,882 0.091,883 4,884 1,885 1.105,886 3.584,887 191.674,888 0.105,889 19,890 100.042,894 14.267,895 6.043,896 2.59,897 1.817,898 81.293,899 9.272,900 13.183,901 3.103,904 1.85,905 1.967,906 16.786,907 384.706,908 35.5,916 40.912,917 46.481,918 0.271,919 0.697,920 0.854,921 0.9,922 0.9,923 0.9,924 4.834,925 1.09,926 5.666,927 3.132,928 4.29,929 4.852,930 2.456,931 6.503,932 4.221,933 6.03,934 1,935 7.231,936 2.231,937 3.761,938 4.543,940 7.455,941 3.677,942 7.332,943 0.73,944 8.903,945 2.201,946 5.889,947 7.063,948 4.057,949 10.603,950 5.76,951 8.675,952 0.618,953 10.642,954 1.733,955 6.312,956 7.752,958 12.43,959 6.168,960 10.056,961 0.447,962 12.425,963 1.372,964 7.808,965 9.634,966 5.715,967 15.058,968 7.624,969 11.462,970 0.315,971 14.236,972 1.129,973 8.636,974 10.767,976 17.205,977 8.432,978 12.888,979 -0.539,980 16.067,981 0.628,982 9.902,983 12.41,984 7.386,985 19.668,986 9.663,987 3.169,988 -0.743,989 17.911,990 -1.225,991 10.903,992 13.744,994 21.942,995 10.64,996 2.991,997 10.904,998 19.764,999 -1.489,1000 12.082,1001 15.294,1002 9.058,1003 24.345,1004 11.787,1005 2.526,1006 10.176,1007 21.625,1008 4.516,1009 13.157,1010 16.718,1012 26.673,1013 12.836,1014 2.119,1015 7.9,1016 23.491,1017 3.803,1018 14.306,1019 18.234,1020 10.731,1021 29.055,1022 13.954,1023 1.661,1024 6.277,1025 25.362,1026 3.076,1027 15.414,1028 19.698,1030 31.406,1031 15.034,1032 1.548,1033 4.488,1034 27.237,1035 2.582,1036 16.552,1037 21.202,1038 12.404,1039 33.782,1040 16.143,1041 1.255,1042 3.65,1043 29.114,1044 2.322,1045 17.675,1046 22.686,1048 36.144,1049 17.238,1050 5381,1051 8528,1052 18.087,1053 27.603,1054 39.944,1055 41.503,1056 39.513,1057 38.945,1058 38.937,1059 51.489,1060 4.616,1061 111.644,1062 37.51,1063 5.535,1064 6.046,1065 6.468,1066 5.219,1067 5.169,1068 7.516,1069 4.616,1070 18.123,1071 5.04,1072 6.146,1073 1.536,1074 1.596,1075 1.52,1076 1.498,1077 1.498,1078 1.98,1079 0.178,1080 4.294,1081 1.443,1082 4.127,1083 4.174,1084 4.094,1085 3.992,1086 6.818,1087 4.012,1088 3.958,1089 4.016,1090 3.884,1091 3.825,1092 5.142,1093 3.825,1094 3.765,1095 3.828,1096 3.661,1097 3.603,1098 4.892,1099 3.616,1100 3.473,1101 3.534,1102 3.382,1103 3.327,1104 4.472,1105 3.33,1106 3.275,1107 3.356,1108 3.202,1109 3.035,1110 4.253,1111 3.067,1112 2.972,1113 3.048,1114 2.871,1115 2.787,1116 3.92,1117 2.795,1118 2.869,1119 2.979,1120 2.675,1121 2.671,1122 3.676,1123 2.635,1124 2.775,1125 2.857,1126 2.583,1127 2.544,1128 3.345,1129 2.571,1130 0.176,1131 0.156,1132 0.258,1133 0.159,1134 0.122,1135 4.587,1136 0.174,1137 4.046,1138 0.089,1139 6.708,1140 0.419,1141 4.141,1142 0.118,1143 3.169,1144 4.516,1145 2.308,1146 10.904,1147 3.079,1148 1.858,1149 1.826,1150 1.968,1151 2.003,1152 1.375,1153 1.982,1154 1.778,1155 1.726,1156 1.888,1157 1.952,1158 1.211,1159 1.943,1160 1.577,1161 1.507,1162 1.86,1163 1.751,1164 1.022,1165 1.793,1166 1.473,1167 1.402,1168 1.64,1169 1.708,1170 0.853,1171 1.697,1172 1.367,1173 1.305,1174 1.608,1175 1.568,1176 0.604,1177 1.585,1178 1.315,1179 1.271,1180 1.459,1181 1.456,1182 0.55,1183 1.453,1184 1.145,1185 1.058,1186 1.287,1187 1.442,1188 0.259,1189 1.414,1190 0.868,1191 0.789,1192 1.089,1193 1.123,1194 0.094,1195 1.12,1196 3.97,1198 5.283,1199 3.434,1200 6.788,1201 5.638,1202 8.389,1203 7.609,1204 10.043,1212 5.413,1216 0.722,1220 9.18,1221 2.326,1222 26.289,1223 59.604,1224 153.03,1225 187.66,1226 197.66,1227 197.66,1228 197.66,1229 30.916,1230 7.188,1231 83.18,1232 83.18,1233 21,1234 12.483,1235 4.087,1236 3.392,1237 31.766,1238 76,1239 62,1240 0.213,1241 161.613,1242 265.4,1243 386.096,1244 11900,1246 15.648,1247 0.68,1248 0.557,1249 15.648,1250 12.813,1251 11.365,1252 0.437,1253 0.31,1254 7.965,1255 10.956,1256 7.841,1257 6.475,1258 11.365,1259 8.061,1260 9.78,1261 0.272,1262 0.171,1263 9.78,1264 6.145,1265 8.732,1266 0.171,1267 0.094,1268 8.732,1269 4.813,1270 7.808,1271 0.112,1272 0.052,1273 7.808,1274 3.656,1275 5.501,1276 0.071,1277 0.026,1278 5.501,1279 1.983,1280 0.326,1281 70.932,1282 0.235,1283 22.279,1284 0.606,1285 124,1286 324.558,1287 134.102,1288 323.385,1289 451.16,1290 304,1291 149,1292 343.124,1293 160.435,1294 347.666,1295 506.56,1296 328,1297 5}
{0 CHEMBL180022,1 1.64,2 15.75,3 5.095,4 25.957,5 155.746,6 8.074,7 0.535,8 4.323,9 4.436,10 3.953,11 3.866,12 5.504,13 3.856,14 4.823,15 4.99,16 4.287,17 4.211,18 5.95,19 4.188,20 5.034,21 5.207,22 4.416,23 4.356,24 6.189,25 4.313,26 5.116,27 5.33,28 4.384,29 4.375,30 6.215,31 4.307,32 5.087,33 5.277,34 4.401,35 4.408,36 6.257,37 4.343,38 5.11,39 5.304,40 4.487,41 4.433,42 6.295,43 4.382,44 5.143,45 5.327,46 4.498,47 4.435,48 6.404,49 4.376,50 5.1,51 5.3,52 4.403,53 4.344,54 6.311,55 4.271,56 0.063,57 0.996,58 12.243,59 5.847,60 13.293,61 7.294,62 0.342,63 1.527,64 24.666,65 9.35,66 31.741,67 11.878,68 0.569,69 1.813,70 33.334,71 11.829,72 56.824,73 14.934,74 0.594,75 1.909,76 38.801,77 13.573,78 68.673,79 17.944,80 0.671,81 1.869,82 38.318,83 13.487,84 71.405,85 17.429,86 0.482,87 1.956,88 36.057,89 13.018,90 59.248,91 17.037,92 0.673,93 1.965,94 39.088,95 13.007,96 100.549,97 16.255,98 0.668,99 1.79,100 42.208,101 13.335,102 93.345,103 17.149,104 54,105 58,106 0.254,107 0.623,108 0.82,109 0.883,110 0.883,111 0.883,112 3.717,113 0.905,114 -2.49,115 -2.52,116 -2.46,118 43.5,119 1,123 2,124 3,131 2,136 8,137 2,138 6,139 2,140 2,149 2,161 5,164 11,166 1,168 6,169 5,172 1,173 9,175 1,177 5,179 4,182 2,183 4,185 2,187 2,189 8,192 2,193 6,195 3,196 1,197 2,200 9,203 11,205 1,208 12,210 1,211 8,214 2,216 3,217 8,219 2,220 8,222 1,224 4,226 7,228 3,229 5,233 2,235 2,238 3800,239 27.101,240 27.101,241 27.101,242 27.101,243 27.101,244 23.885,245 36.005,246 16.333,247 27.862,248 21.167,249 21.167,250 21.167,251 21.167,252 21.167,253 16.155,254 48.297,255 7.659,256 22.361,257 4.469,258 2.092,259 0.815,260 0.41,261 0.41,262 0.41,263 4.412,264 1,267 1,268 1326,269 4.583,272 520.413,276 202.84,279 2.538,280 40.681,283 0.75,284 0.5,285 0.67,286 0.7,287 0.5,288 0.67,289 0.5,290 0.61,291 86.333,292 630,293 4.64,294 4.073,295 6.741,296 4.181,297 3.204,298 4.576,299 2.035,300 11.049,301 3.129,302 4.25,303 3.496,304 6.168,305 3.816,306 2.883,307 3.896,308 1.151,309 9.17,310 2.703,311 4.14,312 3.298,313 6.069,314 3.727,315 2.778,316 3.663,317 1.058,318 8.761,319 2.599,320 3.892,321 3.22,322 5.639,323 3.468,324 2.509,325 3.442,326 0.916,327 7.373,328 2.404,329 3.79,330 2.953,331 5.344,332 3.363,333 2.374,334 3.134,335 0.86,336 6.969,337 2.345,338 3.629,339 2.787,340 5.227,341 3.179,342 2.239,343 2.897,344 0.4,345 6.516,346 2.107,347 3.553,348 2.644,349 5.063,350 3.114,351 2.168,352 2.842,353 0.172,354 6.092,355 2.037,356 3.309,357 2.445,358 4.806,359 3.064,360 2.106,361 2.605,363 5.27,364 1.986,365 3.217,366 2.227,367 4.641,368 2.779,369 1.815,370 2.238,372 5.093,373 1.744,374 3.004,375 2.123,376 4.281,377 2.503,378 1.564,379 2.107,381 3.896,382 1.473,383 2.939,384 2.053,385 4.184,386 2.36,387 1.439,388 1.962,389 3.72,390 1.314,391 2.83,392 1.723,393 3.636,394 2.339,395 1.414,396 1.766,397 3.122,398 1.232,399 2.712,400 1.594,401 3.567,402 2.003,403 1.024,404 1.5,405 2.197,406 0.997,407 2.525,408 1.509,409 3.247,410 1.959,411 1,412 1.357,413 2.136,414 0.956,415 2.5,416 1.244,417 3.208,418 1.916,419 0.972,420 1.258,421 1.951,422 0.909,423 19.114,424 0.478,425 0.886,426 0.022,427 56,428 1.4,429 30,430 0.75,431 26,432 0.65,433 34.223,434 0.856,435 42.086,436 0.61,437 49.468,438 1.237,439 11.336,440 0.283,441 8.035,442 0.201,443 0.154,445 0.309,449 0.812,450 1.347,451 0.661,452 1.053,453 0.589,454 0.927,455 1.113,456 1.073,457 0.756,458 0.854,459 0.61,460 0.818,461 1.153,462 1.14,463 0.956,464 1.028,465 0.886,466 0.994,467 0.955,468 0.926,469 0.848,470 0.911,471 0.862,472 0.891,473 0.94,474 0.913,475 1.058,476 0.981,477 1.136,478 0.952,479 0.996,480 1.081,481 0.816,482 0.923,483 1.059,484 0.889,485 1.393,486 1.024,487 1.151,488 0.945,489 1.792,490 0.987,491 1.184,492 1.015,493 1.235,494 1.086,495 1.258,496 1.026,497 8,498 0.355,499 4,500 2.125,501 2.533,502 1.528,503 1.093,504 0.887,505 0.639,506 0.338,507 26029,508 75280,509 2.036,510 42,512 22,514 2,515 2,517 3,520 1.803,521 1.905,522 3.876,523 0.149,528 113.135,529 1.64,530 4.016,531 5.293,532 5.699,533 5.699,534 5.699,535 3.383,536 5.072,537 5.283,538 4.088,539 3188.76,540 9.348,541 56274.5,546 421.488,547 1.406,548 5.251,549 0.186,550 0.008,551 0.069,552 0.034,553 0.042,554 0.024,555 0.016,556 0.014,557 0.011,558 0.007,559 0.412,560 0.33,561 0.75,562 1.572,563 227.222,564 -0.049,565 -0.194,566 0.03,567 -0.081,568 -0.03,569 -0.017,570 -0.093,571 0.013,572 0.062,573 0.098,574 0.032,575 0.103,576 -0.029,577 -0.095,578 -0.031,579 -0.061,580 -0.027,581 -0.061,582 0.037,583 0.065,584 0.1,585 0.071,586 0.032,587 0.091,588 0.086,589 0.09,590 -0.032,591 0.024,592 -0.013,593 0.024,594 -0.027,595 -0.049,596 0.1,597 0.051,598 0.007,599 0.071,600 -0.166,601 0.017,602 -0.08,603 0.026,604 -0.18,605 -0.058,606 -0.001,607 -0.04,608 -0.028,609 -0.072,610 0.026,611 -0.049,612 1.964,613 5.613,614 0.55,615 59.85,616 1.008,617 1.124,618 1.264,619 1.598,620 0.687,621 3.784,622 4.078,623 4.317,624 4.575,625 4.852,626 4.977,627 5.13,628 5.313,629 5.447,630 5.485,631 8.962,632 0.658,633 557.1,634 3.784,635 5.313,636 6.146,637 7.013,638 7.871,639 8.749,640 9.621,641 10.505,642 11.386,643 12.276,644 8.7,647 1,651 1,652 1,653 1,654 2,656 2,657 10,658 2,662 8,664 23,665 1,674 1,677 2,678 1,679 69,680 26,681 2,682 43,684 72,685 30,686 20,687 7,688 5,689 3,690 4,691 5,692 1,694 1,701 1,702 23,703 6,706 2,709 1,710 2,712 1,718 29,719 9,720 2,721 10,722 1,726 6,729 0.75,730 3,739 2,745 4,749 1,755 1,758 2,763 1,766 3,770 3,771 1,774 40,780 3,781 2,782 2,785 1,787 1,791 1,793 1,794 1,795 4.3,798 1,800 2,801 21,802 13.443,803 9.056,804 4,805 4.651,806 1.551,807 0.969,808 10.068,809 13.085,810 4.086,811 4.659,812 5.242,813 5.83,814 6.444,815 6.803,816 7.251,817 7.731,818 8.173,819 8.415,820 0.909,821 62,822 14.727,823 6.097,824 7.811,825 27.684,826 21.684,827 2.311,828 92.444,832 317.82,833 203.989,834 103.776,835 39.149,836 47.145,839 203.989,840 404.113,841 103.776,842 25.618,843 29.301,844 94.762,845 103.565,846 125.206,848 294.278,849 39.149,850 317.82,851 307.766,852 47.145,853 39.149,855 282.506,856 82.458,858 113.317,859 141.925,860 91.672,862 317.82,863 150.921,864 243.138,867 317.82,868 48.912,869 141.6,870 52.623,871 150.924,872 317.82,873 150.921,874 243.138,876 0.567,877 0.321,878 0.174,879 0.101,880 24,881 12,882 0.153,883 11,884 1,885 1.091,886 4.906,887 386.957,888 0.091,889 22,890 208.877,894 29.007,895 13.884,896 7.791,897 1.217,898 150.921,899 17.568,900 8.696,904 4.116,906 36.022,907 711.879,908 58.5,911 12.613,912 3.245,914 -0.297,916 69.52,917 77.544,918 0.268,919 0.657,920 0.867,921 0.933,922 0.933,923 0.933,924 5.312,925 2.106,926 6.116,927 6.092,928 4.762,929 5.347,930 2.861,931 6.897,932 4.66,933 6.52,934 1.815,935 7.654,936 5.27,937 4.29,938 5.121,939 0.325,940 7.743,941 4.141,942 7.82,943 1.564,944 9.291,945 5.093,946 6.323,947 7.555,948 3.77,949 10.836,950 6.14,951 9.155,952 1.439,953 10.989,954 3.896,955 6.661,956 8.168,957 0.393,958 12.525,959 6.432,960 10.52,961 1.414,962 12.725,963 3.72,964 8.154,965 10.068,966 5.023,967 15.143,968 7.899,969 11.909,970 1.024,971 14.489,972 3.122,973 8.885,974 11.102,975 0.384,976 17.206,977 8.59,978 13.317,979 1,980 16.274,981 2.197,982 10.155,983 12.772,984 6.395,985 19.662,986 9.836,987 3.204,988 0.972,989 18.076,990 2.136,991 11.087,992 14.032,993 0.351,994 21.898,995 10.735,996 2.883,997 11.049,998 19.891,999 1.951,1000 12.265,1001 15.601,1002 7.802,1003 24.3,1004 11.891,1005 2.778,1006 9.17,1007 21.717,1008 4.576,1009 13.299,1010 16.981,1011 0.312,1012 26.618,1013 12.899,1014 2.509,1015 8.761,1016 23.552,1017 3.896,1018 14.443,1019 18.508,1020 9.219,1021 29.006,1022 14.022,1023 2.374,1024 7.373,1025 25.396,1026 3.663,1027 15.529,1028 19.951,1029 0.273,1030 31.362,1031 15.087,1032 2.239,1033 6.969,1034 27.247,1035 3.442,1036 16.664,1037 21.464,1038 10.639,1039 33.749,1040 16.203,1041 2.168,1042 6.516,1043 29.103,1044 3.134,1045 17.778,1046 22.94,1047 0.236,1048 36.124,1049 17.297,1050 25305,1051 43287,1052 28.433,1053 47.392,1054 64.58,1055 67.325,1056 65.003,1057 62.683,1058 62.595,1059 83.308,1060 13.185,1061 174.359,1062 59.164,1063 5.473,1064 6.073,1065 6.543,1066 5.248,1067 5.204,1068 7.576,1069 4.069,1070 18.277,1071 5.129,1072 21.907,1073 1.502,1074 1.566,1075 1.512,1076 1.458,1077 1.456,1078 1.937,1079 0.307,1080 4.055,1081 1.376,1082 4.107,1083 4.132,1084 4.095,1085 4.025,1086 7.43,1087 4.036,1088 3.92,1089 3.945,1090 3.986,1091 3.835,1092 6.82,1093 3.837,1094 3.839,1095 3.874,1096 3.799,1097 3.747,1098 5.035,1099 3.749,1100 3.752,1101 3.809,1102 3.675,1103 3.594,1104 4.96,1105 3.604,1106 3.61,1107 3.655,1108 3.546,1109 3.461,1110 4.872,1111 3.475,1112 3.479,1113 3.546,1114 3.349,1115 3.25,1116 4.609,1117 3.25,1118 3.388,1119 3.448,1120 3.326,1121 3.205,1122 4.422,1123 3.209,1124 3.247,1125 3.291,1126 3.244,1127 3.05,1128 4.416,1129 3.062,1130 0.108,1131 0.095,1132 0.157,1133 0.097,1134 0.075,1135 4.64,1136 0.106,1137 4.073,1138 0.047,1139 6.741,1140 0.257,1141 4.181,1142 0.073,1143 3.204,1144 4.576,1145 2.035,1146 11.049,1147 3.129,1148 2.044,1149 2.024,1150 2.09,1151 2.14,1152 1.241,1153 2.127,1154 1.875,1155 1.855,1156 1.973,1157 1.996,1158 1.067,1159 1.992,1160 1.818,1161 1.783,1162 1.919,1163 1.928,1164 1.046,1165 1.93,1166 1.702,1167 1.652,1168 1.902,1169 1.901,1170 1.001,1171 1.907,1172 1.553,1173 1.516,1174 1.799,1175 1.76,1176 0.936,1177 1.765,1178 1.438,1179 1.363,1180 1.673,1181 1.69,1182 0.709,1183 1.689,1184 1.371,1185 1.305,1186 1.558,1187 1.544,1188 0.638,1189 1.556,1190 1.193,1191 1.147,1192 1.448,1193 1.431,1194 0.601,1195 1.433,1196 4.466,1198 5.765,1200 7.258,1202 8.848,1204 10.495,1206 5.7,1207 6.517,1212 1.309,1213 6.183,1214 11.605,1217 1.948,1220 9.839,1221 2.187,1222 45.422,1223 113.135,1224 277.11,1225 365.224,1226 393.224,1227 393.224,1228 393.224,1229 86.834,1230 8.434,1231 112.4,1232 112.4,1233 24,1234 12.807,1235 4.755,1236 4.044,1237 73.126,1238 206,1239 248,1240 0.166,1241 286.144,1242 502.5,1243 689.95,1244 62043,1245 1.4,1246 28.485,1247 0.712,1248 0.58,1249 28.985,1250 23.197,1251 19.372,1252 0.451,1253 0.302,1254 12.423,1255 18.312,1256 12.009,1257 10.045,1258 19.66,1259 12.966,1260 17.013,1261 0.293,1262 0.162,1263 17.384,1264 9.398,1265 13.615,1266 0.184,1267 0.081,1268 13.969,1269 5.986,1270 11.259,1271 0.117,1272 0.042,1273 11.592,1274 4.067,1275 9.3,1276 0.073,1277 0.021,1278 9.503,1279 2.713,1280 0.264,1281 124.66,1282 0.188,1283 36.24,1284 0.444,1285 202,1286 636.656,1287 236.478,1288 646.965,1289 867.74,1290 604,1291 233,1292 606.662,1293 264.931,1294 627.993,1295 909.28,1296 587,1297 5}
{0 CHEMBL1908391,1 1.54,2 16.667,3 4.475,4 20.029,5 146.666,6 7.556,7 0.575,8 4.28,9 4.407,10 3.903,11 3.864,12 5.339,13 3.817,14 4.812,15 4.999,16 4.255,17 4.246,18 5.814,19 4.182,20 5.037,21 5.241,22 4.236,23 4.383,24 6.005,25 4.278,26 5.175,27 5.434,28 4.202,29 4.381,30 6.092,31 4.232,32 5.086,33 5.353,34 4.21,35 4.309,36 5.994,37 4.17,38 4.875,39 5.072,40 4.12,41 4.257,42 5.876,43 4.129,44 4.947,45 5.191,46 3.976,47 4.197,48 5.882,49 4.063,50 4.807,51 5.025,52 3.998,53 4.113,54 5.832,55 4.011,56 0.043,57 1.016,58 13.973,59 5.934,60 9.96,61 7.836,62 0.303,63 1.668,64 27.936,65 9.47,66 24.758,67 13.038,68 0.251,69 1.964,70 33.846,71 12.832,72 34.462,73 17.464,74 0.369,75 2.105,76 42.94,77 15.603,78 55.382,79 21.355,80 0.403,81 1.937,82 44.21,83 14.615,84 51.009,85 19.32,86 0.315,87 1.685,88 33.664,89 12.227,90 36.653,91 15.636,92 0.338,93 1.669,94 35.001,95 12.794,96 42.861,97 17.207,98 0.283,99 1.47,100 28.205,101 10.532,102 40.085,103 14.224,104 10,105 55,106 0.242,107 0.57,108 0.746,109 0.823,110 0.855,111 0.855,112 3.615,113 0.972,114 -4.35,115 -4.29,116 -4.05,118 42.4,119 1,123 1,124 5,136 9,137 4,138 2,139 2,140 1,145 1,149 1,153 1,161 11,164 6,166 2,168 6,169 11,172 1,173 6,177 5,179 7,182 1,183 9,186 1,187 5,189 5,193 7,197 3,200 8,203 4,205 3,207 3,208 10,210 1,211 3,214 1,216 2,217 11,219 1,220 5,224 3,226 11,229 6,233 2,235 8,238 2730,239 24.549,240 24.549,241 24.549,242 24.549,243 24.549,244 21.675,245 30.255,246 14.579,247 25.183,248 19.776,249 19.776,250 19.776,251 19.776,252 19.776,253 15.497,254 48.345,255 7.021,256 20.793,257 4.505,258 2.417,259 1.296,260 0.803,261 0.599,262 0.599,263 4.323,267 1,268 1323,269 3.317,271 108.605,272 541.861,279 2.722,280 22.582,283 1,284 0.83,285 1,286 0.8,287 0.5,288 1,289 1,290 0.88,291 76,292 600,293 4.332,294 3.573,295 6.199,296 3.932,297 2.973,298 3.988,299 1.058,300 9.294,301 2.887,302 4.249,303 3.081,304 6.114,305 3.861,306 2.885,307 3.88,308 0.916,309 8.965,310 2.802,311 4.164,312 3.044,313 6.032,314 3.785,315 2.797,316 3.759,317 0.8,318 8.625,319 2.757,320 3.818,321 2.885,322 5.588,323 3.604,324 2.657,325 3.253,326 0.4,327 7.698,328 2.52,329 3.73,330 2.687,331 5.31,332 3.337,333 2.386,334 3.117,335 0.172,336 6.852,337 2.266,338 3.544,339 2.445,340 5.205,341 3.227,342 2.311,343 2.782,345 6.481,346 2.111,347 3.434,348 2.334,349 5.127,350 3.08,351 2.123,352 2.55,354 6.247,355 2.002,356 3.128,357 2.269,358 4.806,359 2.861,360 1.928,361 2.366,363 5.438,364 1.785,365 3.033,366 1.869,367 4.376,368 2.667,369 1.719,370 2.052,372 4.299,373 1.624,374 2.831,375 1.795,376 4.126,377 2.377,378 1.414,379 1.965,381 3.631,382 1.352,383 2.744,384 1.509,385 4.045,386 2.282,387 1.265,388 1.75,389 3.363,390 1.276,391 2.527,392 1.146,393 3.485,394 2.01,395 1.058,396 1.54,397 2.587,398 1,399 2.5,400 1.085,401 3.414,402 2,403 1,404 1.5,405 2.275,406 0.999,407 2.5,408 1,409 3.414,410 1.967,411 1,412 1.5,413 2.275,414 0.965,415 2.169,416 1,417 3.265,418 1.954,419 1,420 1.007,421 2.136,422 0.951,423 17.567,424 0.488,425 0.814,426 0.023,427 48.25,428 1.34,429 24.5,430 0.681,431 23.75,432 0.66,433 30.923,434 0.859,435 37.633,436 0.57,437 37.039,438 1.029,439 9.517,440 0.264,441 8.013,442 0.223,443 0.076,445 0.302,449 0.847,450 1.335,451 0.773,452 0.989,453 0.621,454 0.935,455 1.017,456 1.057,457 0.905,458 0.904,459 0.59,460 0.866,461 1.054,462 1.176,463 1.004,464 1.09,465 0.864,466 1.136,467 0.966,468 0.962,469 0.868,470 0.927,471 0.981,472 0.975,473 1.191,474 0.818,475 0.961,476 0.818,477 1.229,478 0.738,479 0.919,480 1.09,481 1.331,482 1.281,483 1.023,484 1.152,485 0.965,486 0.934,487 0.988,488 0.989,489 1.209,490 0.973,491 1.103,492 1.006,493 0.833,494 0.954,495 1.479,496 0.981,497 7.5,498 0.197,499 3.556,500 1.847,501 1.779,502 0.934,503 0.696,504 0.635,505 0.349,506 0.263,507 23949,508 56104,509 2.137,510 45.5,511 3,512 22,513 1,514 2,515 2,520 1.769,521 2.038,522 3.996,523 0.148,528 101.608,529 1.54,530 3.627,531 4.748,532 5.241,533 5.446,534 5.446,535 3.51,536 4.649,537 5.137,538 4.174,539 2629.52,540 9.002,541 45020.9,546 398.93,547 1.256,548 5.118,549 0.188,550 0.006,551 0.065,552 0.035,553 0.038,554 0.019,555 0.015,556 0.015,557 0.009,558 0.007,559 0.396,560 0.17,561 0.75,562 0.442,563 201.777,564 -0.023,565 -0.183,566 0.073,567 -0.017,568 -0.025,569 0.008,570 0.017,571 0.069,572 0.045,573 0.057,574 0.085,575 0.067,576 -0.093,577 -0.138,578 -0.136,579 -0.159,580 0.003,581 -0.182,582 0.029,583 -0.016,584 0.082,585 0.03,586 0.076,587 0.014,588 -0.053,589 0.147,590 0.193,591 0.243,592 0.016,593 0.266,594 0.04,595 -0.031,596 -0.178,597 -0.164,598 -0.035,599 -0.156,600 0.046,601 0.015,602 -0.012,603 0.003,604 -0.014,605 0.026,606 0.039,607 -0.039,608 0.045,609 -0.014,610 -0.003,611 -0.007,612 1.788,613 5.903,614 0.806,615 51.028,616 0.994,617 1.123,618 3.124,619 9.76,620 0.686,621 3.714,622 4.025,623 4.263,624 4.489,625 4.71,626 4.718,627 4.844,628 4.977,629 5.043,630 5.142,631 9.392,632 0.642,633 498.71,634 3.714,635 5.252,636 6.089,637 6.95,638 7.799,639 8.661,640 9.516,641 10.378,642 11.235,643 12.098,644 9.1,647 2,651 1,652 1,654 2,657 12,658 2,661 1,662 8,664 23,670 1,674 1,679 66,680 24,681 2,682 40,684 70,685 28,686 20,687 5,688 7,689 1,690 5,691 5,694 1,702 21,703 7,706 1,709 1,712 1,718 30,719 7,720 2,721 8,722 1,726 6,729 1,730 1,739 1,744 1,745 4,763 2,766 5,768 1,770 2,774 36,780 5,781 2,785 2,789 1,795 1.5,798 1,801 17.667,802 12.383,803 7.833,804 3.857,805 4.188,806 1.501,807 1.011,808 7.711,809 12.546,810 3.98,811 4.551,812 5.082,813 5.617,814 6.097,815 6.281,816 6.643,817 7.001,818 7.329,819 7.661,820 1,821 53,822 13.307,823 5.595,824 7.565,825 25.904,826 21.283,827 2.065,828 74.333,832 329.591,833 196.276,834 75.841,836 25.145,838 31.278,839 164.998,840 354.736,841 75.841,842 17.222,843 28.539,844 92.935,845 86.963,846 63.868,847 11.771,848 325.555,850 329.591,851 240.839,852 25.145,853 31.278,855 329.591,856 25.145,858 82.976,859 124.292,860 33.571,861 31.278,862 329.591,863 100.986,864 196.276,867 329.591,868 68.024,869 134.5,870 36.022,871 58.716,872 329.591,873 100.986,874 196.276,876 0.581,877 0.331,878 0.172,879 0.097,880 26,881 11,882 0.1,883 7,885 1,886 4.888,887 331.774,889 29,890 178.117,891 1,894 24.572,895 11.297,896 6.371,898 100.986,899 23.234,900 8.849,903 1.535,904 7.236,906 36.022,907 626.853,908 52.5,911 12.903,914 -0.121,916 65.618,917 74.102,918 0.255,919 0.6,920 0.786,921 0.867,922 0.901,923 0.901,924 5.208,925 1.928,926 6.057,927 6.247,928 4.71,929 5.239,930 1.796,931 6.812,932 4.62,933 6.393,934 1.719,935 7.58,936 5.438,937 4.205,938 4.89,939 0.57,940 7.554,941 4.092,942 7.676,943 1.414,944 9.195,945 4.299,946 6.26,947 7.355,948 1.605,949 10.608,950 6.097,951 8.99,952 1.265,953 10.863,954 3.631,955 6.553,956 7.817,957 0.581,958 12.146,959 6.372,960 10.333,961 1.058,962 12.565,963 3.363,964 8.054,965 9.736,966 1.567,967 14.684,968 7.834,969 11.696,970 1,971 14.29,972 2.587,973 8.721,974 10.592,975 0.515,976 16.567,977 8.486,978 13.075,979 1,980 16.03,981 2.275,982 9.983,983 12.258,984 1.582,985 18.907,986 9.714,987 2.973,988 1,989 17.783,990 2.275,991 10.841,992 13.328,993 0.441,994 20.953,995 10.556,996 2.885,997 9.294,998 19.546,999 2.136,1000 11.991,1001 14.86,1002 1.624,1003 23.211,1004 11.676,1005 2.797,1006 8.965,1007 21.316,1008 3.988,1009 12.947,1010 16.052,1011 0.373,1012 25.337,1013 12.614,1014 2.657,1015 8.625,1016 23.091,1017 3.88,1018 14.047,1019 17.51,1020 1.682,1021 27.561,1022 13.686,1023 2.386,1024 7.698,1025 24.873,1026 3.759,1027 15.054,1028 18.772,1029 0.314,1030 29.726,1031 14.672,1032 2.311,1033 6.852,1034 26.658,1035 3.253,1036 16.131,1037 20.189,1038 1.752,1039 31.937,1040 15.723,1041 2.123,1042 6.481,1043 28.447,1044 3.117,1045 17.165,1046 21.494,1047 0.264,1048 34.122,1049 16.734,1050 22116,1051 34149,1052 27.334,1053 45.273,1054 60.044,1055 60.427,1056 60.336,1057 59.378,1058 59.424,1059 77.22,1060 6.694,1061 166.135,1062 56.659,1063 5.332,1064 5.573,1065 6.001,1066 5.046,1067 4.973,1068 6.988,1069 2.117,1070 15.614,1071 4.887,1072 14.416,1073 1.501,1074 1.511,1075 1.508,1076 1.484,1077 1.486,1078 1.93,1079 0.167,1080 4.153,1081 1.416,1082 4.027,1083 4.062,1084 4.233,1085 3.955,1086 7.429,1087 3.943,1088 3.942,1089 3.977,1090 3.933,1091 3.88,1092 4.977,1093 3.865,1094 3.89,1095 3.928,1096 3.835,1097 3.821,1098 4.798,1099 3.816,1100 3.794,1101 3.855,1102 3.742,1103 3.604,1104 4.711,1105 3.614,1106 3.634,1107 3.667,1108 3.683,1109 3.589,1110 4.654,1111 3.535,1112 3.41,1113 3.465,1114 3.336,1115 3.213,1116 4.378,1117 3.233,1118 3.241,1119 3.334,1120 3.081,1121 3.036,1122 4.033,1123 3.029,1124 3.111,1125 3.206,1126 2.911,1127 2.941,1128 3.913,1129 2.91,1130 0.108,1131 0.089,1132 0.155,1133 0.098,1134 0.074,1135 4.332,1136 0.1,1137 3.573,1138 0.026,1139 6.199,1140 0.232,1141 3.932,1142 0.072,1143 2.973,1144 3.988,1145 1.058,1146 9.294,1147 2.887,1148 1.953,1149 1.927,1150 2.065,1151 2.068,1152 1.323,1153 2.07,1154 1.903,1155 1.874,1156 2.02,1157 2.021,1158 1.16,1159 2.023,1160 1.847,1161 1.814,1162 1.951,1163 1.963,1164 1.125,1165 1.962,1166 1.752,1167 1.681,1168 1.947,1169 1.937,1170 0.997,1171 1.947,1172 1.352,1173 1.319,1174 1.591,1175 1.595,1176 0.825,1177 1.589,1178 1.3,1179 1.283,1180 1.547,1181 1.491,1182 0.735,1183 1.504,1184 1.254,1185 1.198,1186 1.513,1187 1.466,1188 0.619,1189 1.461,1190 1.22,1191 1.134,1192 1.398,1193 1.376,1194 0.559,1195 1.429,1196 4.394,1198 5.707,1199 2.398,1200 7.201,1201 4.595,1202 8.771,1203 6.581,1204 10.379,1206 4.194,1212 5.273,1213 6.421,1217 4.81,1222 42.352,1223 101.608,1224 239.381,1225 313.381,1226 345.91,1227 359.42,1228 359.42,1229 53.723,1230 8.358,1231 73.39,1232 101.63,1233 29,1234 12.647,1235 4.644,1236 3.755,1237 54.839,1238 202,1239 216,1240 0.127,1241 263.153,1242 449.18,1243 633.854,1244 63861,1246 24.907,1247 0.692,1248 0.594,1249 25.261,1250 21.386,1251 17.53,1252 0.438,1253 0.324,1254 12.011,1255 16.537,1256 11.568,1257 9.629,1258 17.984,1259 12.961,1260 15.845,1261 0.288,1262 0.182,1263 16.422,1264 10.023,1265 13.209,1266 0.189,1267 0.102,1268 13.848,1269 7.174,1270 10.592,1271 0.12,1272 0.056,1273 11.326,1274 4.889,1275 8.735,1276 0.079,1277 0.032,1278 9.366,1279 3.524,1280 0.209,1281 113.333,1282 0.191,1283 33.937,1284 0.326,1285 190,1286 491.842,1287 227.044,1288 508.434,1289 702.74,1290 478,1291 220,1292 505.346,1293 253.356,1294 534.756,1295 775.35,1296 500,1297 5}
{0 CHEMBL1908392,1 1.468,2 14.139,3 4.725,4 22.326,5 143.007,6 7.189,7 0.55,8 4.296,9 4.422,10 3.839,11 3.839,12 5.374,13 3.814,14 4.829,15 5.017,16 4.193,17 4.236,18 5.841,19 4.191,20 5.082,21 5.287,22 4.266,23 4.404,24 6.091,25 4.326,26 5.194,27 5.429,28 4.24,29 4.417,30 6.189,31 4.315,32 5.191,33 5.436,34 4.277,35 4.386,36 6.24,37 4.315,38 5.107,39 5.294,40 4.281,41 4.439,42 6.214,43 4.362,44 5.207,45 5.442,46 4.18,47 4.463,48 6.186,49 4.337,50 5.154,51 5.421,52 3.926,53 4.318,54 6.018,55 4.158,56 0.05,57 0.996,58 14.24,59 5.91,60 11.343,61 8.044,62 0.309,63 1.633,64 26.445,65 9.271,66 23.903,67 13.296,68 0.387,69 1.987,70 35.058,71 12.805,72 38.967,73 17.929,74 0.358,75 2.094,76 40.579,77 15.014,78 57.73,79 21.288,80 0.497,81 2.048,82 41.823,83 13.987,84 72.416,85 19.646,86 0.429,87 1.978,88 35.939,89 13.536,90 64.075,91 18.251,92 0.348,93 2.119,94 40.822,95 15.806,96 62.944,97 22.335,98 0.384,99 1.941,100 40.207,101 14.942,102 58.33,103 21.447,104 17,105 56,106 0.23,107 0.542,108 0.68,109 0.797,110 0.838,111 0.838,112 3.616,113 0.916,114 -4.14,115 -4.09,116 -3.87,118 43.3,123 2,124 5,136 13,137 3,138 2,146 1,147 1,148 1,149 1,161 13,163 1,164 6,167 1,168 4,169 14,172 3,173 7,177 3,179 12,183 5,185 2,187 5,189 10,192 1,193 7,197 6,200 17,202 2,203 3,207 8,208 20,210 1,211 2,216 6,217 19,219 1,220 5,226 12,229 7,231 2,235 3,238 2470,239 24.499,240 24.499,241 24.499,242 24.499,243 24.499,244 21.627,245 26.138,246 14.482,247 24.952,248 19.744,249 19.744,250 19.744,251 19.744,252 19.744,253 15.418,254 36.272,255 6.91,256 20.467,257 4.598,258 2.6,259 1.72,260 0.972,261 0.709,262 0.709,263 4.321,267 1,268 1121,269 3.937,271 90.437,272 513.421,275 169.554,279 2.179,280 27.518,283 1,284 0.83,285 1,286 0.8,287 0.5,288 1,289 1,290 0.88,291 76.5,292 509,293 4.707,294 3.757,295 6.985,296 4.271,297 3.294,298 4.626,299 1.989,300 11.89,301 3.219,302 4.238,303 3.412,304 6.342,305 3.919,306 2.962,307 3.835,308 0.835,309 9.444,310 2.832,311 4.139,312 2.936,313 6.132,314 3.722,315 2.746,316 3.642,317 0.8,318 8.965,319 2.683,320 3.821,321 2.898,322 5.49,323 3.546,324 2.61,325 3.167,326 0.6,327 7.348,328 2.458,329 3.605,330 2.71,331 5.401,332 3.371,333 2.4,334 3.006,335 0.543,336 6.867,337 2.306,338 3.553,339 2.444,340 5.322,341 3.11,342 2.14,343 2.712,345 6.439,346 2.079,347 3.347,348 2.365,349 5.01,350 3.045,351 2.109,352 2.537,354 5.9,355 1.977,356 3.205,357 2.27,358 4.795,359 2.777,360 1.822,361 2.432,363 5.119,364 1.724,365 3.016,366 1.915,367 4.77,368 2.698,369 1.732,370 2.213,372 4.998,373 1.659,374 2.96,375 1.566,376 4.279,377 2.5,378 1.51,379 1.984,381 3.765,382 1.492,383 2.83,384 1.396,385 3.612,386 2.339,387 1.354,388 1.982,389 2.934,390 1.329,391 2.564,392 1.327,393 3.548,394 2.019,395 1.04,396 1.524,397 2.583,398 1.015,399 2.5,400 1.146,401 3.526,402 2,403 1,404 1.5,405 2.275,406 1,407 2.5,408 1.117,409 3.414,410 2,411 1,412 1.5,413 2.275,414 1,415 2.064,416 1,417 3.414,418 1.967,419 1,420 1,421 2.136,422 0.965,423 17.167,424 0.477,425 0.853,426 0.024,427 48.25,428 1.34,429 24.5,430 0.681,431 23.75,432 0.66,433 30.662,434 0.852,435 38.033,436 0.568,437 40.849,438 1.135,439 9.805,440 0.272,441 7.686,442 0.213,443 0.097,445 0.332,449 0.878,450 1.391,451 0.825,452 1.08,453 0.734,454 0.966,455 0.94,456 1.047,457 0.906,458 0.863,459 0.574,460 0.858,461 1.059,462 1.034,463 1.051,464 1.027,465 0.964,466 1.03,467 0.91,468 1.088,469 0.935,470 1.062,471 0.993,472 1.013,473 1.435,474 0.779,475 0.875,476 0.728,477 1.506,478 0.729,479 1.401,480 1.029,481 1.141,482 1.047,483 1.583,484 1.068,485 0.829,486 1.04,487 1.031,488 1.092,489 0.783,490 1.09,491 0.866,492 0.931,493 1.045,494 1.013,495 0.914,496 1.048,497 6.5,498 0.231,499 4,500 2.729,501 2.178,502 1.427,503 0.791,504 0.415,505 0.41,506 0.335,507 20863,508 47913,509 2.12,510 46.3,512 29,515 2,520 1.774,521 2,522 3.681,523 0.121,528 98.357,529 1.468,530 3.466,531 4.346,532 5.094,533 5.357,534 5.357,535 3.155,536 4.649,537 5.14,538 3.925,539 2473.04,540 9.034,541 39940,546 406.428,547 1.352,548 5.109,549 0.162,550 0.007,551 0.071,552 0.047,553 0.04,554 0.024,555 0.013,556 0.008,557 0.011,558 0.01,559 0.394,560 0.33,561 0.75,562 0.496,563 197.391,564 -0.04,565 -0.214,566 0.056,567 -0.047,568 -0.066,569 0.003,570 0.009,571 0.109,572 0.035,573 0.104,574 0.043,575 0.082,576 -0.033,577 0.041,578 -0.092,579 -0.046,580 -0.017,581 -0.07,582 0.058,583 -0.104,584 0.044,585 -0.069,586 0.063,587 -0.024,588 -0.106,589 0.207,590 0.151,591 0.232,592 -0.03,593 0.229,594 -0.143,595 0.014,596 -0.174,597 -0.045,598 -0.145,599 -0.105,600 -0.012,601 -0.063,602 -0.073,603 -0.079,604 0.012,605 -0.083,606 -0.053,607 0.006,608 -0.062,609 -0.016,610 -0.096,611 -0.038,612 1.593,613 5.87,614 0.75,615 40.701,616 0.995,617 1.124,618 2.914,619 8.489,620 0.669,621 3.714,622 4.043,623 4.331,624 4.605,625 4.852,626 4.89,627 5.043,628 5.17,629 5.236,630 5.303,631 8.169,632 0.633,633 481.65,634 3.714,635 5.263,636 6.12,637 7.002,638 7.879,639 8.768,640 9.653,641 10.546,642 11.437,643 12.333,644 7.5,647 2,651 1,652 1,653 1,656 2,657 13,659 1,662 5,664 22,666 1,676 1,679 67,680 24,681 3,682 40,684 71,685 29,686 20,687 5,688 13,689 1,690 5,691 6,702 22,703 7,706 2,709 1,711 1,712 2,718 31,719 6,720 2,721 7,726 5,729 0.8,730 2,741 1,744 1,745 4,748 1,756 1,763 2,766 4,770 2,774 36,779 1,780 5,785 3,795 3,797 1,798 1,801 18,802 12.5,803 7.861,804 3.921,805 3.698,806 1.46,807 0.995,808 7.19,809 11.742,810 3.989,811 4.588,812 5.194,813 5.81,814 6.368,815 6.687,816 7.187,817 7.655,818 7.991,819 8.398,820 1,821 58,822 13.343,823 5.685,824 7.639,825 25.778,826 21.313,827 2.139,828 77,832 341.362,833 174.576,834 42.944,836 67.828,839 174.576,840 409.19,841 42.944,842 16.793,843 13.653,844 123.191,845 75.29,846 54.277,847 2.144,848 341.362,850 341.362,851 217.52,852 67.828,855 341.362,856 67.828,858 53.473,859 164.047,862 341.362,863 110.772,864 174.576,867 341.362,868 34.592,869 149.357,870 16.786,871 84.614,872 341.362,873 110.772,874 174.576,876 0.582,877 0.343,878 0.187,879 0.107,880 27,881 12,882 0.085,883 6,884 1,885 1.074,886 4.645,887 350.416,888 0.074,889 27,890 174.117,894 24.262,895 10.668,896 5.39,897 1.757,898 93.987,899 25.284,901 3.059,904 3.22,906 59.469,907 626.71,908 53,911 12.87,913 4.949,914 0.752,916 66.65,917 75.308,918 0.242,919 0.571,920 0.716,921 0.84,922 0.883,923 0.883,924 5.228,925 1.822,926 6.103,927 5.9,928 4.727,929 5.276,930 2.386,931 6.919,932 4.658,933 6.43,934 1.732,935 7.663,936 5.119,937 4.29,938 5.017,939 1.803,940 7.832,941 4.167,942 7.733,943 1.51,944 9.326,945 4.998,946 6.323,947 7.469,948 3.144,949 10.965,950 6.185,951 9.072,952 1.354,953 11.051,954 3.765,955 6.723,956 8.087,957 3.237,958 12.764,959 6.54,960 10.447,961 1.04,962 12.817,963 2.934,964 8.215,965 9.999,966 4.307,967 15.426,968 8.017,969 11.848,970 1,971 14.613,972 2.583,973 9.009,974 11.061,975 4.691,976 17.605,977 8.776,978 13.271,979 1,980 16.432,981 2.275,982 10.286,983 12.742,984 5.594,985 20.119,986 10.036,987 3.294,988 1,989 18.269,990 2.275,991 11.273,992 14.035,993 6.118,994 22.463,995 10.995,996 2.962,997 11.89,998 20.121,999 2.136,1000 12.467,1001 15.615,1002 6.925,1003 24.935,1004 12.171,1005 2.746,1006 9.444,1007 21.985,1008 4.626,1009 13.547,1010 17.026,1011 7.524,1012 27.349,1013 13.226,1014 2.61,1015 8.965,1016 23.86,1017 3.835,1018 14.714,1019 18.566,1020 8.277,1021 29.812,1022 14.374,1023 2.4,1024 7.348,1025 25.744,1026 3.642,1027 15.838,1028 20.036,1029 8.915,1030 32.257,1031 15.477,1032 2.14,1033 6.867,1034 27.635,1035 3.167,1036 17.001,1037 21.562,1038 9.639,1039 34.721,1040 16.619,1041 2.109,1042 6.439,1043 29.533,1044 3.006,1045 18.149,1046 23.06,1047 10.3,1048 37.181,1049 17.747,1050 19451,1051 29678,1052 27.046,1053 44.836,1054 60.927,1055 61.273,1056 61.936,1057 60.111,1058 59.98,1059 78.56,1060 9.532,1061 172.334,1062 57.922,1063 5.707,1064 5.757,1065 6.787,1066 5.338,1067 5.294,1068 7.626,1069 3.465,1070 19.314,1071 5.219,1072 16.344,1073 1.523,1074 1.532,1075 1.548,1076 1.503,1077 1.5,1078 1.964,1079 0.238,1080 4.308,1081 1.448,1082 4.148,1083 4.176,1084 4.116,1085 4.064,1086 7.427,1087 4.073,1088 3.951,1089 3.992,1090 3.895,1091 3.862,1092 6.473,1093 3.864,1094 3.866,1095 3.916,1096 3.795,1097 3.796,1098 4.953,1099 3.791,1100 3.83,1101 3.881,1102 3.724,1103 3.639,1104 4.806,1105 3.651,1106 3.545,1107 3.6,1108 3.462,1109 3.347,1110 4.708,1111 3.363,1112 3.434,1113 3.477,1114 3.352,1115 3.286,1116 4.398,1117 3.3,1118 3.248,1119 3.348,1120 3.122,1121 3.014,1122 4.323,1123 3.029,1124 3.128,1125 3.206,1126 2.998,1127 2.941,1128 4.131,1129 2.934,1130 0.118,1131 0.094,1132 0.175,1133 0.107,1134 0.082,1135 4.707,1136 0.116,1137 3.757,1138 0.05,1139 6.985,1140 0.297,1141 4.271,1142 0.08,1143 3.294,1144 4.626,1145 1.989,1146 11.89,1147 3.219,1148 1.975,1149 1.953,1150 2.062,1151 2.061,1152 1.307,1153 2.061,1154 1.901,1155 1.872,1156 2.011,1157 2.028,1158 1.181,1159 2.029,1160 1.864,1161 1.835,1162 1.997,1163 1.991,1164 1.097,1165 1.995,1166 1.783,1167 1.71,1168 1.973,1169 1.949,1170 1.06,1171 1.96,1172 1.515,1173 1.478,1174 1.689,1175 1.733,1176 0.831,1177 1.716,1178 1.444,1179 1.39,1180 1.584,1181 1.679,1182 0.825,1183 1.657,1184 1.214,1185 1.115,1186 1.561,1187 1.502,1188 0.678,1189 1.527,1190 1.153,1191 1.064,1192 1.513,1193 1.376,1194 0.643,1195 1.429,1196 4.394,1198 5.72,1199 2.398,1200 7.241,1201 4.844,1202 8.845,1203 7.034,1204 10.493,1206 3.925,1211 10.784,1212 4.209,1217 6.191,1222 42.385,1223 98.357,1224 232.217,1225 291.203,1226 341.309,1227 358.918,1228 358.918,1229 61.566,1230 8.044,1231 75.17,1232 75.17,1233 29,1234 12.859,1235 4.644,1236 3.807,1237 54.555,1238 177,1239 206,1240 0.148,1241 258.817,1242 445.76,1243 623.272,1244 36506,1246 25.07,1247 0.696,1248 0.575,1249 25.07,1250 20.685,1251 17.491,1252 0.437,1253 0.305,1254 12.052,1255 16.916,1256 11.711,1257 9.728,1258 17.491,1259 12.211,1260 15.775,1261 0.282,1262 0.166,1263 15.775,1264 9.269,1265 13.522,1266 0.18,1267 0.09,1268 13.522,1269 6.777,1270 11.163,1271 0.113,1272 0.046,1273 11.163,1274 4.555,1275 9.392,1276 0.074,1277 0.026,1278 9.392,1279 3.272,1280 0.236,1281 108.85,1282 0.192,1283 33.139,1284 0.396,1285 192,1286 496.799,1287 206.781,1288 490.006,1289 679.96,1290 460,1291 227,1292 507.779,1293 243.115,1294 520.327,1295 761.28,1296 489,1297 5}
{0 CHEMBL1908393,1 1.667,2 20.217,3 3.792,4 14.379,5 168.034,6 7.741,7 0.333,8 4.52,9 4.625,10 4.112,11 4.011,12 5.635,13 4.019,14 5.08,15 5.239,16 4.456,17 4.378,18 6.203,19 4.372,20 5.337,21 5.525,22 4.583,23 4.5,24 6.516,25 4.488,26 5.359,27 5.562,28 4.48,29 4.493,30 6.572,31 4.447,32 5.34,33 5.554,34 4.478,35 4.514,36 6.429,37 4.459,38 5.335,39 5.522,40 4.52,41 4.524,42 6.537,43 4.482,44 5.379,45 5.593,46 4.468,47 4.472,48 6.584,49 4.422,50 5.262,51 5.485,52 4.382,53 4.361,54 6.46,55 4.315,56 0.166,57 1.298,58 15.93,59 7.845,60 19.124,61 9.393,62 0.692,63 2.065,64 32.94,65 12.666,66 64.573,67 15.58,68 1.234,69 2.512,70 46.336,71 15.613,72 111.312,73 19.578,74 1.411,75 2.441,76 48.588,77 16.33,78 155.365,79 20.867,80 1.157,81 2.373,82 48.211,83 17.455,84 115.804,85 22.674,86 1.093,87 2.488,88 45.714,89 17.118,90 133.185,91 21.413,92 1.484,93 2.589,94 50.732,95 16.613,96 165.059,97 21.527,98 1.227,99 2.366,100 45.289,101 15.112,102 150.791,103 19.548,104 27,105 72,106 0.251,107 0.603,108 0.802,109 0.876,110 0.879,111 0.879,112 3.853,113 0.904,114 -3.05,115 -3.05,116 -2.93,118 41.5,120 4,122 1,123 1,124 6,125 1,131 3,133 1,136 6,137 1,138 6,139 1,140 1,149 2,161 7,164 12,166 2,168 6,169 5,172 2,173 11,177 7,179 5,182 4,183 6,185 2,186 1,189 8,192 2,193 6,195 1,200 17,202 1,203 8,207 4,208 10,210 3,211 8,216 5,217 2,219 1,220 7,224 1,226 5,228 1,229 5,231 2,233 1,235 8,238 5294,239 31.349,240 31.349,241 31.349,242 31.349,243 31.349,244 28.666,245 42.521,246 18.361,247 32.28,248 25.074,249 25.074,250 25.074,251 25.074,252 25.074,253 20.775,254 55.757,255 8.624,256 26.493,257 4.69,258 2.354,259 1.034,260 0.546,261 0.521,262 0.521,263 4.557,267 1,268 2039,269 4.743,270 97.418,272 820.877,276 247.167,279 3.28,280 71.18,283 0.75,284 0.33,285 0.67,286 0.9,287 1,288 0.67,289 0.5,290 0.69,291 103,292 930,293 4.765,294 4.332,295 7.978,296 4.682,297 3.677,298 4.513,299 2.166,300 15.051,301 3.692,302 4.577,303 3.406,304 6.59,305 4.103,306 3.14,307 3.952,308 1.722,309 10.546,310 3.025,311 4.245,312 3.365,313 6.116,314 3.817,315 2.874,316 3.864,317 1.013,318 8.963,319 2.705,320 3.982,321 3.227,322 6.003,323 3.591,324 2.634,325 3.488,326 0.86,327 8.521,328 2.529,329 3.963,330 3.11,331 5.567,332 3.565,333 2.618,334 3.267,335 0.86,336 7.375,337 2.452,338 3.605,339 2.927,340 5.387,341 3.435,342 2.519,343 2.926,344 0.86,345 6.965,346 2.305,347 3.521,348 2.883,349 5.34,350 3.248,351 2.299,352 2.757,353 0.86,354 6.956,355 2.17,356 3.409,357 2.606,358 5.181,359 3.073,360 2.134,361 2.522,362 0.8,363 6.095,364 1.989,365 3.3,366 2.406,367 5.063,368 2.932,369 1.989,370 2.393,371 0.215,372 5.845,373 1.867,374 3.101,375 2.35,376 4.848,377 2.685,378 1.751,379 2.241,380 0.109,381 4.758,382 1.664,383 3.025,384 2.313,385 4.569,386 2.645,387 1.642,388 2.144,389 4.565,390 1.587,391 2.834,392 2.232,393 4.535,394 2.48,395 1.553,396 1.966,397 3.9,398 1.453,399 2.786,400 2.156,401 4.146,402 2.451,403 1.431,404 1.805,405 3.633,406 1.435,407 2.746,408 1.808,409 3.928,410 2.366,411 1.417,412 1.734,413 3.371,414 1.33,415 2.581,416 1.501,417 3.7,418 2.285,419 1.386,420 1.587,421 3.127,422 1.232,423 21.171,424 0.46,425 1.089,426 0.024,427 54.75,428 1.19,429 24,430 0.522,431 30.75,432 0.668,433 46.072,434 1.002,435 51.429,436 0.627,437 51.461,438 1.119,439 10.944,440 0.238,441 11.396,442 0.248,443 0.082,444 0.024,445 0.302,446 1,448 1,449 0.714,450 1.192,451 0.719,452 1.181,453 0.549,454 0.995,455 0.996,456 1.092,457 0.902,458 1.042,459 0.696,460 0.963,461 1.116,462 1.072,463 0.971,464 1,465 1.01,466 0.948,467 1.028,468 0.842,469 1.059,470 0.958,471 1.04,472 1.004,473 0.853,474 0.804,475 0.834,476 0.894,477 0.885,478 0.874,479 0.983,480 1.11,481 0.982,482 1.127,483 0.916,484 1.077,485 1.027,486 1.04,487 1.021,488 0.983,489 0.994,490 0.998,491 0.994,492 1.073,493 0.953,494 1.007,495 1.061,496 0.97,497 10,498 0.396,499 5,500 3.201,501 2.874,502 1.626,503 1.044,504 0.959,505 0.6,506 0.345,507 46200,508 129162,509 2.112,510 43.9,511 4,512 25,514 1,515 2,517 2,518 2,520 1.829,521 1.993,522 4.232,523 0.127,528 136.718,529 1.667,530 4.003,531 5.323,532 5.812,533 5.836,534 5.836,535 3.754,536 4.942,537 5.488,538 4.441,539 4596.73,540 9.714,541 94747.1,546 521.319,547 1.434,548 5.459,549 0.196,550 0.007,551 0.072,552 0.043,553 0.044,554 0.024,555 0.015,556 0.015,557 0.01,558 0.006,559 0.432,560 0.33,561 0.5,562 0.588,563 277.171,564 -0.044,565 -0.128,566 0.054,567 -0.078,568 -0.027,569 -0.001,570 -0.088,571 -0.08,572 -0.007,573 -0.023,574 -0.006,575 0.001,576 -0.057,577 -0.054,578 -0.001,579 -0.021,580 -0.033,581 0.005,582 -0.019,583 0.095,584 -0.083,585 0.01,586 0.009,587 -0.042,588 0.027,589 0.071,590 0.13,591 0.115,592 -0.009,593 0.142,594 -0.024,595 -0.144,596 -0.035,597 -0.104,598 0.03,599 -0.082,600 0.01,601 -0.055,602 -0.022,603 -0.012,604 0.029,605 -0.026,606 0.037,607 0.001,608 0.052,609 -0.023,610 0.03,611 0.013,612 2.507,613 7.243,614 0.674,615 81.323,616 1.017,617 1.134,618 1.816,619 3.297,620 0.653,621 3.951,622 4.29,623 4.554,624 4.771,625 4.984,626 5.05,627 5.159,628 5.318,629 5.451,630 5.472,631 11.185,632 0.635,633 634.74,634 3.951,635 5.509,636 6.372,637 7.256,638 8.137,639 9.029,640 9.92,641 10.817,642 11.714,643 12.617,644 4.9,647 1,651 2,654 1,656 2,657 7,658 1,662 6,664 17,677 3,678 1,679 82,680 21,681 2,682 51,684 87,685 34,686 15,687 7,688 5,689 4,690 6,691 7,695 1,696 1,697 4,700 5,702 21,703 13,705 1,706 4,709 2,710 3,712 3,716 2,718 36,719 12,720 2,721 12,726 4,729 0.833,730 6,739 1,743 1,745 5,749 1,755 2,758 4,763 1,765 1,766 5,770 1,772 2,774 46,780 10,781 2,782 4,784 1,785 1,786 1,794 2,795 7.3,798 2,799 1,800 3,801 23.083,802 14.852,803 10.111,804 4.986,805 3.889,806 1.434,807 0.978,808 10.07,809 12.846,810 4.167,811 4.727,812 5.264,813 5.791,814 6.328,815 6.629,816 7.005,817 7.429,818 7.833,819 8.028,820 0.929,821 75,822 17.28,823 7.691,824 7.933,825 32.375,826 27.057,827 2.433,828 111.917,832 400.217,833 187.363,834 55.931,836 94.289,837 29.92,839 187.363,840 494.507,841 85.852,842 10.883,843 68.433,844 85.286,845 102.012,846 82.74,847 29.92,848 388.446,850 400.217,851 243.294,852 124.21,855 383.053,856 130.374,857 11,858 82.749,859 112.574,860 47.971,862 430.138,863 150.221,864 187.363,867 402.397,868 79.967,869 108.341,870 36.022,871 140.995,872 400.217,873 180.141,874 187.363,876 0.583,877 0.341,878 0.178,879 0.094,880 34,881 15,882 0.138,883 12,884 1,885 1.065,886 5.607,887 473.184,888 0.065,889 31,890 245.329,894 32.235,895 14.37,896 7.822,897 1.186,898 180.141,899 10.76,900 4.438,904 0.821,906 36.022,907 767.721,908 63.5,911 25.921,912 4.417,914 -0.552,916 83.418,917 92.987,918 0.262,919 0.63,920 0.837,921 0.914,922 0.918,923 0.918,924 5.435,925 2.134,926 6.372,927 6.956,928 4.977,929 5.416,930 3.133,931 7.223,932 4.881,933 6.64,934 1.989,935 7.964,936 6.095,937 4.691,938 5.301,939 2.221,940 8.48,941 4.586,942 7.965,943 1.751,944 9.674,945 5.845,946 6.655,947 7.585,948 3.91,949 11.566,950 6.505,951 9.326,952 1.642,953 11.464,954 4.758,955 7.223,956 8.289,957 3.846,958 13.783,959 7.094,960 10.725,961 1.553,962 13.313,963 4.565,964 8.695,965 10.089,966 5.098,967 16.534,968 8.54,969 12.15,970 1.431,971 15.208,972 3.9,973 9.656,974 11.176,975 5.417,976 19.092,977 9.534,978 13.597,979 1.417,980 17.141,981 3.633,982 10.965,983 12.784,984 6.463,985 21.793,986 10.84,987 3.677,988 1.386,989 19.104,990 3.371,991 12.105,992 14.063,993 6.969,994 24.456,995 12.008,996 3.14,997 15.051,998 21.091,999 3.127,1000 13.373,1001 15.591,1002 7.905,1003 27.156,1004 13.286,1005 2.874,1006 10.546,1007 23.098,1008 4.513,1009 14.591,1010 16.967,1011 8.515,1012 29.85,1013 14.527,1014 2.634,1015 8.963,1016 25.12,1017 3.952,1018 15.857,1019 18.463,1020 9.386,1021 32.555,1022 15.807,1023 2.618,1024 8.521,1025 27.154,1026 3.864,1027 17.112,1028 19.892,1029 10.059,1030 35.26,1031 17.08,1032 2.519,1033 7.375,1034 29.197,1035 3.488,1036 18.385,1037 21.378,1038 10.891,1039 37.968,1040 18.367,1041 2.299,1042 6.965,1043 31.248,1044 3.267,1045 19.659,1046 22.835,1047 11.602,1048 40.677,1049 19.655,1050 42766,1051 71800,1052 34.383,1053 53.569,1054 76.341,1055 79.08,1056 78.836,1057 75.474,1058 75.53,1059 93.03,1060 18.932,1061 220.144,1062 71.614,1063 5.765,1064 6.332,1065 7.78,1066 5.786,1067 5.677,1068 7.513,1069 3.858,1070 22.84,1071 5.692,1072 21.761,1073 1.497,1074 1.551,1075 1.546,1076 1.48,1077 1.481,1078 1.824,1079 0.371,1080 4.317,1081 1.404,1082 4.096,1083 4.115,1084 4.064,1085 4.003,1086 8.201,1087 4.015,1088 4.005,1089 4.033,1090 3.951,1091 3.895,1092 8.191,1093 3.903,1094 3.882,1095 3.913,1096 3.835,1097 3.789,1098 7.443,1099 3.794,1100 3.836,1101 3.882,1102 3.758,1103 3.744,1104 7.413,1105 3.741,1106 3.818,1107 3.868,1108 3.696,1109 3.61,1110 5.071,1111 3.621,1112 3.572,1113 3.609,1114 3.487,1115 3.392,1116 4.773,1117 3.408,1118 3.444,1119 3.489,1120 3.3,1121 3.278,1122 4.662,1123 3.273,1124 3.246,1125 3.3,1126 3.193,1127 2.971,1128 4.624,1129 3.009,1130 0.093,1131 0.085,1132 0.156,1133 0.092,1134 0.072,1135 4.765,1136 0.088,1137 4.332,1138 0.042,1139 7.978,1140 0.295,1141 4.682,1142 0.072,1143 3.677,1144 4.513,1145 2.166,1146 15.051,1147 3.692,1148 2.021,1149 2.007,1150 2.076,1151 2.124,1152 1.292,1153 2.109,1154 1.868,1155 1.844,1156 1.998,1157 2,1158 1.207,1159 1.997,1160 1.852,1161 1.817,1162 1.976,1163 1.992,1164 1.203,1165 1.991,1166 1.755,1167 1.692,1168 1.946,1169 1.973,1170 1.07,1171 1.966,1172 1.524,1173 1.49,1174 1.779,1175 1.749,1176 1.047,1177 1.756,1178 1.492,1179 1.469,1180 1.621,1181 1.702,1182 0.836,1183 1.664,1184 1.41,1185 1.368,1186 1.577,1187 1.622,1188 0.825,1189 1.619,1190 1.158,1191 1.087,1192 1.513,1193 1.432,1194 0.825,1195 1.448,1196 4.635,1197 1.946,1198 5.969,1199 3.932,1200 7.506,1201 5.938,1202 9.137,1203 7.917,1204 10.818,1206 1.547,1208 28.582,1212 6.493,1213 5.345,1214 22.96,1216 -1.089,1217 2.344,1218 -1.257,1222 52.097,1223 136.718,1224 328.286,1225 436.525,1226 476.564,1227 478.564,1228 478.564,1229 123.444,1230 8.957,1231 111.25,1232 111.25,1233 33,1234 13.139,1235 4.459,1236 3.755,1237 71.162,1238 309,1239 328,1240 0.109,1241 310.972,1242 567.1,1243 750.532,1244 132058,1245 2.4,1246 32.097,1247 0.698,1248 0.555,1249 30.357,1250 25.522,1251 22.341,1252 0.438,1253 0.301,1254 15.063,1255 21.133,1256 14.836,1257 12.11,1258 21.536,1259 15.369,1260 20.088,1261 0.279,1262 0.16,1263 18.936,1264 11.493,1265 17.005,1266 0.181,1267 0.086,1268 16.135,1269 8.051,1270 13.747,1271 0.117,1272 0.045,1273 13.212,1274 5.31,1275 10.793,1276 0.074,1277 0.024,1278 10.293,1279 3.49,1280 0.179,1281 142.653,1282 0.171,1283 41.253,1284 0.279,1285 246,1286 886.591,1287 279.508,1288 775.37,1289 1032.91,1290 728,1291 292,1292 729.6,1293 326.08,1294 717.558,1295 1060.64,1296 676,1297 5}
{0 CHEMBL1908394,1 1.781,2 14,3 5.126,4 26.275,5 142.371,6 8.237,7 0.5,8 4.305,9 4.42,10 3.979,11 3.839,12 5.432,13 3.824,14 4.882,15 5.053,16 4.445,17 4.25,18 6.339,19 4.225,20 5.081,21 5.26,22 4.476,23 4.406,24 6.175,25 4.345,26 5.233,27 5.449,28 4.486,29 4.459,30 6.363,31 4.371,32 5.253,33 5.486,34 4.449,35 4.41,36 6.462,37 4.328,38 5.122,39 5.328,40 4.368,41 4.368,42 6.288,43 4.284,44 5.089,45 5.295,46 4.428,47 4.346,48 6.281,49 4.281,50 5.093,51 5.291,52 4.487,53 4.302,54 6.332,55 4.253,56 0.146,57 1.213,58 12.176,59 6.276,60 25.48,61 7.263,62 1.048,63 2.299,64 27.961,65 10.371,66 153.195,67 12.329,68 0.631,69 2.227,70 36.147,71 13.907,72 55.298,73 16.555,74 0.855,75 2.571,76 45.904,77 17.185,78 97.719,79 20.983,80 1.474,81 2.549,82 49.52,83 16.836,84 147.462,85 19.783,86 0.948,87 2.313,88 42.715,89 15.232,90 117.928,91 17.04,92 0.727,93 2.187,94 40.393,95 13.693,96 80.509,97 16.586,98 0.783,99 2.434,100 41.697,101 13.851,102 82.239,103 15.347,104 54,105 62,106 0.281,107 0.61,108 0.759,109 0.821,110 0.856,111 0.861,112 3.668,113 0.932,114 -4.6,115 -4.52,116 -4.25,118 40.9,119 1,123 1,124 5,125 1,129 1,136 8,137 3,138 1,140 1,146 2,147 1,149 1,151 1,154 1,155 1,156 1,161 9,163 1,164 8,165 1,166 1,169 10,172 1,173 10,177 1,179 6,181 1,182 2,183 8,184 1,185 1,187 1,189 6,190 1,192 2,193 2,194 1,195 1,200 9,202 2,203 7,207 2,208 6,209 2,210 1,211 10,213 1,214 1,216 3,217 3,218 3,219 1,220 9,224 4,226 3,227 4,228 2,229 5,233 2,235 6,237 2,238 2898,239 25.004,240 25.004,241 25.004,242 25.004,243 25.004,244 22.511,245 33.041,246 14.351,247 25.903,248 20.743,249 20.743,250 20.743,251 20.743,252 20.743,253 16.823,254 41.717,255 6.836,256 22.329,257 4.263,258 2.175,259 1.228,260 0.834,261 0.61,262 0.58,263 4.366,267 1,268 1148,269 4.416,271 194.633,272 371.666,275 164.75,279 2.316,280 56.813,283 0.75,284 0.83,285 0.83,286 0.7,287 0.5,288 0.83,289 1,290 0.78,291 85,292 532,293 4.641,294 4.473,295 7.279,296 4.289,297 3.398,298 4.57,299 3.825,300 12.394,301 3.083,302 4.564,303 3.584,304 6.752,305 4.148,306 3.222,307 4.074,308 1.151,309 11.077,310 3.001,311 4.366,312 3.267,313 6.444,314 3.923,315 2.981,316 4.014,317 0.98,318 9.953,319 2.789,320 3.838,321 3.225,322 6.05,323 3.607,324 2.677,325 3.216,326 0.916,327 8.522,328 2.496,329 3.782,330 3.022,331 5.72,332 3.539,333 2.63,334 2.938,335 0.8,336 7.828,337 2.321,338 3.633,339 2.775,340 5.539,341 3.337,342 2.388,343 2.921,344 0.172,345 7.312,346 2.254,347 3.462,348 2.627,349 5.128,350 3.146,351 2.198,352 2.547,354 6.312,355 2.077,356 3.294,357 2.37,358 4.984,359 2.9,360 1.96,361 2.495,363 5.529,364 1.819,365 3.084,366 2.151,367 4.799,368 2.821,369 1.894,370 2.288,372 5.413,373 1.746,374 3.007,375 1.983,376 4.636,377 2.657,378 1.68,379 2.051,381 4.546,382 1.63,383 2.875,384 1.499,385 4.485,386 2.366,387 1.424,388 2.006,389 4.055,390 1.331,391 2.607,392 1.349,393 3.975,394 2.134,395 1.18,396 1.65,397 3.021,398 1.106,399 2.583,400 1.314,401 3.794,402 2.061,403 1.131,404 1.617,405 2.833,406 1.043,407 2.384,408 1.146,409 3.585,410 1.967,411 1,412 1.313,413 2.461,414 0.965,415 2.256,416 1.109,417 3.529,418 1.941,419 0.985,420 1.128,421 2.275,422 0.933,423 17.857,424 0.47,425 1.248,426 0.033,427 45.5,428 1.197,429 20,430 0.526,431 25.5,432 0.671,433 38.98,434 1.026,435 42.143,436 0.639,437 41.255,438 1.086,439 9.07,440 0.239,441 9.027,442 0.238,443 0.145,444 0.028,445 0.347,447 3,449 0.645,450 1.117,451 0.69,452 1.031,453 0.599,454 0.946,455 0.627,456 0.744,457 0.742,458 0.8,459 0.348,460 0.791,461 0.77,462 0.936,463 0.928,464 1.116,465 0.563,466 1.062,467 0.724,468 1.043,469 0.924,470 1.13,471 0.677,472 1.052,473 0.993,474 0.888,475 0.968,476 0.85,477 0.963,478 0.877,479 1.134,480 0.996,481 1.215,482 1.072,483 1.136,484 1.034,485 0.789,486 0.914,487 1.018,488 1.049,489 0.751,490 0.934,491 1.024,492 1.203,493 1.046,494 1.221,495 1.051,496 1.067,497 9.5,498 0.344,499 4.889,500 3.326,501 2.541,502 1.379,503 1.061,504 0.966,505 0.688,506 0.423,507 22818,508 68915,509 2.059,510 42.4,512 22,514 1,515 2,517 3,520 1.789,521 1.892,522 3.737,523 0.201,528 117.578,529 1.781,530 3.87,531 4.817,532 5.211,533 5.434,534 5.465,535 3.249,536 4.86,537 5.218,538 3.944,539 2772.43,540 9.202,541 45852.4,546 398.93,547 1.636,548 5.156,549 0.226,550 0.008,551 0.079,552 0.054,553 0.041,554 0.023,555 0.019,556 0.016,557 0.012,558 0.009,559 0.487,560 0.17,561 0.75,562 0.811,563 210.842,564 -0.048,565 -0.132,566 0.053,567 -0.025,568 -0.086,569 0.006,570 0.257,571 0.285,572 0.153,573 0.179,574 0.405,575 0.141,576 -0.05,577 -0.086,578 0.001,579 -0.093,580 0.006,581 -0.074,582 0.067,583 -0.15,584 0.072,585 -0.091,586 0.054,587 -0.023,588 0.062,589 0.101,590 0.062,591 0.152,592 0.009,593 0.119,594 -0.147,595 0.034,596 -0.139,597 0.008,598 -0.137,599 -0.038,600 -0.043,601 -0.083,602 0.029,603 -0.008,604 0.005,605 0.055,606 -0.082,607 -0.212,608 0.026,609 -0.173,610 -0.084,611 -0.104,612 5.78,613 5.548,614 0.684,615 45.186,616 1.019,617 1.14,618 3.366,619 11.329,620 0.671,621 3.761,622 4.143,623 4.407,624 4.7,625 4.92,626 5.017,627 5.198,628 5.38,629 5.529,630 5.642,631 8.21,632 0.647,633 543.67,634 3.761,635 5.342,636 6.205,637 7.111,638 7.993,639 8.9,640 9.792,641 10.7,642 11.597,643 12.506,644 7.6,647 2,651 1,652 1,654 1,656 2,657 9,658 1,661 1,662 6,663 1,664 21,669 1,677 1,679 66,680 22,681 2,682 42,684 70,685 27,686 17,687 5,688 7,689 1,690 5,691 6,694 2,699 1,700 1,702 18,703 9,706 1,709 1,712 1,716 3,718 28,719 9,720 2,721 11,722 1,724 1,726 5,729 0.8,730 2,744 2,745 3,748 1,763 2,766 4,768 1,770 2,772 3,774 38,775 1,780 5,782 1,784 1,785 2,786 1,790 1,794 3,795 3,798 1,800 1,801 20.083,802 12.395,803 8.028,804 3.861,805 4.1,806 1.47,807 1.007,808 7.607,809 12.823,810 3.998,811 4.625,812 5.222,813 5.841,814 6.335,815 6.727,816 7.193,817 7.658,818 8.009,819 8.375,820 1,821 62,822 14.647,823 6.863,824 8.037,825 26.503,826 22.211,827 2.537,828 96.417,832 306.049,833 177.297,834 57.83,836 36.145,837 44.88,838 31.278,839 146.019,840 342.193,841 102.711,842 17.222,843 43.426,844 75.81,845 67.025,846 81.902,847 3.503,848 325.555,849 7.76,850 306.049,851 203.85,852 81.025,853 31.278,855 270.735,856 116.338,858 79.85,859 107.214,860 16.786,861 31.278,862 350.929,863 93.975,864 177.297,867 313.808,868 67.887,869 109.798,871 130.708,872 306.049,873 138.856,874 177.297,876 0.599,877 0.341,878 0.184,879 0.102,880 31,881 15,882 0.1,883 7,884 1,885 1.077,886 4.667,887 384.094,888 0.077,889 26,890 190.666,891 1,894 26.826,895 10.776,896 5.817,897 1.645,898 136.956,899 14.639,900 4.491,903 1.114,904 1.236,905 1.848,906 32.897,907 622.201,908 53.5,911 12.25,914 -0.715,916 67.265,917 75.247,918 0.295,919 0.64,920 0.797,921 0.862,922 0.899,923 0.904,924 5.279,925 1.96,926 6.24,927 6.312,928 4.828,929 5.313,930 3.328,931 7.111,932 4.686,933 6.512,934 1.894,935 7.843,936 5.529,937 4.635,938 5.247,939 3.919,940 8.244,941 4.355,942 7.844,943 1.68,944 9.552,945 5.413,946 6.518,947 7.539,948 5.45,949 11.307,950 6.224,951 9.211,952 1.424,953 11.324,954 4.546,955 7.107,956 8.299,957 6.691,958 13.253,959 6.67,960 10.612,961 1.18,962 13.138,963 4.055,964 8.525,965 10.107,966 8.06,967 15.9,968 8.06,969 12.036,970 1.131,971 14.981,972 3.021,973 9.449,974 11.249,975 9.389,976 18.164,977 8.855,978 13.48,979 1,980 16.847,981 2.833,982 10.706,983 12.865,984 10.734,985 20.689,986 10.061,987 3.398,988 0.985,989 18.729,990 2.461,991 11.777,992 14.19,993 12.074,994 23.082,995 11.019,996 3.222,997 12.394,998 20.626,999 2.275,1000 12.98,1001 15.727,1002 13.417,1003 25.575,1004 12.154,1005 2.981,1006 11.077,1007 22.534,1008 4.57,1009 14.117,1010 17.139,1011 14.758,1012 28.023,1013 13.188,1014 2.677,1015 9.953,1016 24.452,1017 4.074,1018 15.306,1019 18.645,1020 16.1,1021 30.511,1022 14.298,1023 2.63,1024 8.522,1025 26.377,1026 4.014,1027 16.473,1028 20.099,1029 17.441,1030 32.984,1031 15.368,1032 2.388,1033 7.828,1034 28.309,1035 3.216,1036 17.662,1037 21.596,1038 18.783,1039 35.475,1040 16.471,1041 2.198,1042 7.312,1043 30.247,1044 2.938,1045 18.845,1046 23.072,1047 20.124,1048 37.962,1049 17.559,1050 21602,1051 37959,1052 27.452,1053 44.296,1054 65.578,1055 64.755,1056 66.344,1057 64.856,1058 64.588,1059 81.685,1060 15.689,1061 194.998,1062 59.984,1063 5.641,1064 6.473,1065 6.957,1066 5.456,1067 5.398,1068 7.57,1069 5.335,1070 20.104,1071 5.083,1072 22.432,1073 1.561,1074 1.542,1075 1.58,1076 1.544,1077 1.538,1078 1.945,1079 0.374,1080 4.643,1081 1.428,1082 4.148,1083 4.182,1084 4.307,1085 4.061,1086 8.513,1087 4.054,1088 3.967,1089 3.99,1090 3.997,1091 3.892,1092 7.999,1093 3.893,1094 3.859,1095 3.918,1096 3.916,1097 3.834,1098 7.999,1099 3.786,1100 3.804,1101 3.824,1102 3.711,1103 3.617,1104 7.437,1105 3.629,1106 3.461,1107 3.525,1108 3.376,1109 3.279,1110 5.053,1111 3.295,1112 3.401,1113 3.46,1114 3.347,1115 3.228,1116 4.898,1117 3.217,1118 3.314,1119 3.362,1120 3.257,1121 3.01,1122 4.774,1123 3.065,1124 3.26,1125 3.334,1126 3.21,1127 3,1128 4.62,1129 3.028,1130 0.111,1131 0.107,1132 0.173,1133 0.102,1134 0.081,1135 4.641,1136 0.109,1137 4.473,1138 0.091,1139 7.279,1140 0.295,1141 4.289,1142 0.073,1143 3.398,1144 4.57,1145 3.825,1146 12.394,1147 3.083,1148 1.953,1149 1.925,1150 2.056,1151 2.069,1152 1.326,1153 2.07,1154 1.932,1155 1.911,1156 2.036,1157 2.028,1158 1.203,1159 2.028,1160 1.756,1161 1.683,1162 1.95,1163 1.961,1164 1.167,1165 1.963,1166 1.57,1167 1.554,1168 1.722,1169 1.755,1170 0.831,1171 1.733,1172 1.523,1173 1.507,1174 1.615,1175 1.7,1176 0.825,1177 1.686,1178 1.37,1179 1.309,1180 1.574,1181 1.599,1182 0.788,1183 1.606,1184 1.281,1185 1.202,1186 1.513,1187 1.54,1188 0.687,1189 1.555,1190 1.153,1191 1.064,1192 1.503,1193 1.44,1194 0.639,1195 1.429,1196 4.443,1198 5.808,1199 3.045,1200 7.349,1201 5.416,1202 8.971,1203 7.535,1204 10.636,1206 3.64,1208 40.644,1210 5.623,1212 4.865,1214 5.918,1216 -0.969,1217 4.717,1218 -4.53,1222 42.722,1223 117.578,1224 255.404,1225 317.91,1226 343.91,1227 358.665,1228 360.665,1229 88.952,1230 8.723,1231 76.62,1232 104.86,1233 28,1234 13.024,1235 4.524,1236 3.644,1237 59.042,1238 186,1239 217,1240 0.153,1241 260.212,1242 453.16,1243 626.678,1244 87950,1245 4.5,1246 27.026,1247 0.711,1248 0.575,1249 24.88,1250 21.85,1251 18.096,1252 0.431,1253 0.311,1254 12.07,1255 16.772,1256 11.729,1257 9.633,1258 17.293,1259 13.052,1260 17.739,1261 0.286,1262 0.17,1263 16.36,1264 10.535,1265 13.964,1266 0.172,1267 0.098,1268 14.135,1269 7.898,1270 11.905,1271 0.109,1272 0.052,1273 12.072,1274 5.622,1275 9.733,1276 0.072,1277 0.029,1278 9.676,1279 3.94,1280 0.241,1281 118.894,1282 0.191,1283 34.394,1284 0.415,1285 208,1286 772.557,1287 266.999,1288 683.72,1289 908,1290 636,1291 247,1292 633.799,1293 300.972,1294 638.183,1295 962.17,1296 598,1297 5}
{0 CHEMBL1908395,1 1.503,2 13.5,3 3.328,4 11.073,5 132.718,6 6.979,7 0.297,8 4.265,9 4.401,10 3.774,11 3.783,12 5.32,13 3.752,14 4.844,15 5.048,16 4.12,17 4.201,18 5.813,19 4.138,20 5.129,21 5.356,22 4.19,23 4.389,24 6.129,25 4.279,26 5.226,27 5.479,28 4.177,29 4.391,30 6.2,31 4.275,32 5.188,33 5.43,34 4.146,35 4.364,36 6.187,37 4.261,38 5.159,39 5.396,40 4.153,41 4.392,42 6.14,43 4.276,44 5.238,45 5.501,46 4.101,47 4.409,48 6.093,49 4.27,50 5.236,51 5.509,52 4.051,53 4.347,54 6.12,55 4.207,56 0.035,57 1.005,58 14.504,59 5.794,60 10.727,61 8.282,62 0.316,63 1.619,64 27.893,65 9.817,66 25.899,67 14.536,68 0.511,69 1.97,70 38.107,71 14.189,72 61.819,73 20.389,74 0.358,75 2.026,76 42.966,77 15.222,78 66.898,79 22.212,80 0.49,81 1.968,82 41.722,83 13.786,84 85.309,85 20.083,86 0.372,87 2.01,88 39.397,89 14.14,90 71.509,91 20.777,92 0.343,93 2.071,94 43.402,95 15.464,96 58.696,97 22.954,98 0.434,99 1.991,100 44.144,101 15.101,102 72.165,103 22.404,104 32,105 51,106 0.238,107 0.596,108 0.789,109 0.834,110 0.843,111 0.843,112 3.561,113 0.971,114 -3.56,115 -3.54,116 -3.37,118 39.4,120 6,121 1,123 2,124 3,131 1,132 1,136 3,137 2,138 1,140 1,145 1,149 3,152 1,161 14,163 1,164 2,166 2,168 2,169 18,172 4,173 1,175 2,176 1,177 3,179 17,183 5,185 1,187 3,189 13,193 10,197 5,200 11,202 1,203 10,205 1,207 6,208 10,211 10,216 3,217 6,220 14,222 1,224 3,226 2,229 11,233 3,238 2378,239 22.955,240 22.955,241 22.955,242 22.955,243 22.955,244 21.126,245 30.676,246 13.561,247 23.298,248 18.202,249 18.202,250 18.202,251 18.202,252 18.202,253 15.135,254 33.548,255 6.375,256 18.738,257 4.541,258 2.28,259 1.065,260 0.78,261 0.72,262 0.72,263 4.253,267 1,268 976,269 4,271 110.516,272 361.297,279 2.176,280 33.048,283 1,284 0.83,285 1,286 1,287 0.5,288 1,289 1,290 0.9,291 73,292 459,293 4.442,294 4.059,295 6.555,296 4.093,297 3.103,298 4.07,299 2.035,300 10.408,301 3.073,302 4.263,303 3.737,304 6.14,305 3.856,306 2.888,307 3.881,308 1.989,309 9.02,310 2.797,311 4.009,312 3.581,313 6.076,314 3.799,315 2.834,316 3.231,317 1.058,318 8.807,319 2.732,320 3.869,321 3.199,322 5.988,323 3.628,324 2.64,325 3.101,326 0.835,327 8.479,328 2.596,329 3.782,330 2.947,331 5.315,332 3.309,333 2.331,334 3.008,335 0.543,336 6.723,337 2.271,338 3.504,339 2.54,340 5.144,341 3.113,342 2.146,343 2.706,345 6.088,346 2.095,347 3.154,348 2.514,349 4.754,350 3.013,351 2.076,352 2.16,354 5.341,355 1.924,356 3.094,357 2.393,358 4.438,359 2.579,360 1.592,361 1.903,363 4.362,364 1.565,365 2.821,366 2.238,367 4.157,368 2.544,369 1.55,370 1.825,372 3.658,373 1.539,374 2.751,375 1.685,376 3.894,377 2.188,378 1.212,379 1.733,381 3.038,382 1.17,383 2.479,384 1.656,385 3.801,386 2.068,387 1.075,388 1.29,389 2.816,390 1.057,391 2.365,392 1.462,393 3.479,394 2,395 1,396 1.264,397 2.474,398 1,399 2.343,400 1.293,401 3.414,402 2,403 1,404 1.033,405 2.275,406 1,407 2.161,408 1.077,409 3.273,410 1.984,411 1,412 1.007,413 2.136,414 0.983,415 2.052,416 1.056,417 3.247,418 1.608,419 0.682,420 1,421 1.665,422 0.629,423 16.067,424 0.473,425 0.818,426 0.024,427 40.25,428 1.184,429 18,430 0.529,431 22.25,432 0.654,433 34.026,434 1.001,435 37.333,436 0.566,437 32.335,438 0.951,439 7.5,440 0.221,441 8.94,442 0.263,443 0.129,445 0.33,449 0.737,450 1.47,451 0.845,452 1.185,453 0.485,454 1.048,455 0.754,456 1.065,457 0.905,458 0.973,459 0.45,460 0.95,461 0.685,462 0.972,463 0.988,464 1.099,465 0.697,466 1.093,467 0.918,468 1.033,469 0.895,470 1.046,471 0.942,472 0.987,473 1.375,474 0.945,475 1.05,476 0.93,477 1.293,478 0.952,479 0.818,480 1.08,481 1.022,482 1.118,483 0.611,484 1.101,485 0.777,486 1.02,487 0.96,488 1.062,489 0.67,490 1.04,491 0.936,492 0.966,493 0.94,494 0.992,495 0.909,496 0.977,497 7,498 0.205,499 4,500 1.972,501 1.722,502 1.354,503 0.843,504 0.446,505 0.441,506 0.346,507 16678,508 41855,509 2.059,510 48.5,511 9,512 16,513 1,515 2,517 4,520 1.762,521 1.925,522 3.695,523 0.177,528 99.209,529 1.503,530 3.765,531 4.98,532 5.264,533 5.325,534 5.325,535 3.257,536 4.558,537 5.051,538 3.878,539 2175.75,540 8.878,541 33647.9,546 398.93,547 1.419,548 5.016,549 0.189,550 0.006,551 0.078,552 0.038,553 0.034,554 0.027,555 0.017,556 0.009,557 0.01,558 0.009,559 0.417,560 0.33,561 0.88,562 1.096,563 182.986,564 -0.027,565 -0.21,566 0.052,567 -0.06,568 0.031,569 -0.004,570 0.073,571 0.081,572 0.04,573 0.062,574 0.077,575 0.051,576 0.173,577 0.065,578 -0.036,579 -0.058,580 0.078,581 -0.077,582 0.017,583 -0.082,584 0.079,585 -0.026,586 0.018,587 0.026,588 -0.184,589 0.035,590 -0.052,591 0.067,592 -0.113,593 0.031,595 -0.056,596 -0.07,597 -0.088,598 0.093,599 -0.088,600 -0.022,601 -0.059,602 -0.003,603 -0.042,604 -0.001,605 -0.021,606 -0.02,607 -0.043,608 0.041,609 0.005,610 -0.023,611 0.026,612 2.028,613 5.767,614 0.676,615 42.291,616 0.996,617 1.133,618 2.332,619 5.438,620 0.649,621 3.638,622 3.951,623 4.205,624 4.443,625 4.654,626 4.754,627 4.898,628 5.037,629 5.187,630 5.298,631 7.819,632 0.612,633 460.64,634 3.638,635 5.176,636 6.019,637 6.889,638 7.75,639 8.625,640 9.494,641 10.373,642 11.247,643 12.127,644 9.1,647 1,651 2,652 1,653 1,654 1,657 4,658 1,659 1,662 5,664 11,665 1,670 1,679 66,680 15,681 1,682 37,684 69,685 26,686 9,687 3,688 3,689 3,690 4,691 4,697 6,698 1,700 6,701 1,702 13,703 12,704 1,706 3,709 2,710 1,712 3,718 32,719 7,720 2,721 8,724 1,726 6,729 1,730 2,744 1,745 3,756 1,758 1,759 1,763 1,766 4,770 2,774 34,780 9,781 1,784 1,785 2,787 1,791 1,793 1,795 3,798 2,801 17.667,802 12.383,803 7.556,804 4.199,805 2.276,806 1.292,807 0.969,808 7.824,809 10.072,810 3.882,811 4.379,812 4.899,813 5.389,814 5.796,815 6.096,816 6.336,817 6.63,818 6.949,819 7.285,820 1,821 52,822 12.638,823 5.36,824 7.755,825 24.414,826 20.272,827 2.255,828 76.667,832 353.133,833 128.679,834 88.89,836 50.29,839 128.679,840 403.423,841 88.89,842 16.793,843 42.659,844 46.952,845 95.414,846 66.039,847 11.771,848 341.362,850 353.133,851 217.568,852 50.29,855 306.049,856 97.374,858 98.713,859 92.593,860 26.262,862 353.133,863 139.18,864 128.679,867 353.133,868 48.332,869 69.994,870 51.398,871 98.135,872 353.133,873 139.18,874 128.679,876 0.578,877 0.333,878 0.177,879 0.095,880 23,881 11,882 0.087,883 6,885 1,886 4.449,887 313.904,889 23,890 166.974,894 24.198,895 10.994,896 5.961,898 122.394,899 7.721,900 4.019,901 2.768,904 3.383,906 34.796,907 620.991,908 47.5,911 25.175,912 2.279,914 1.089,916 65.752,917 74.806,918 0.249,919 0.623,920 0.824,921 0.871,922 0.881,923 0.881,924 5.14,925 1.592,926 5.999,927 5.341,928 4.635,929 5.066,930 2.981,931 6.79,932 4.582,933 6.325,934 1.55,935 7.548,936 4.362,937 4.205,938 4.808,939 1.738,940 7.653,941 4.133,942 7.617,943 1.212,944 9.195,945 3.658,946 6.213,947 7.137,948 4.082,949 10.726,950 6.111,951 8.94,952 1.075,953 10.899,954 3.038,955 6.594,956 7.728,957 3.224,958 12.405,959 6.476,960 10.295,961 1,962 12.64,963 2.816,964 8.063,965 9.516,966 5.387,967 14.982,968 7.921,969 11.672,970 1,971 14.406,972 2.474,973 8.813,974 10.495,975 4.689,976 16.998,977 8.657,978 13.065,979 1,980 16.189,981 2.275,982 10.061,983 12.061,984 6.756,985 19.398,986 9.885,987 3.103,988 0.682,989 17.986,990 2.136,991 10.989,992 13.234,993 6.118,994 21.568,995 10.799,996 2.888,997 10.408,998 19.792,999 1.665,1000 12.144,1001 14.703,1002 8.147,1003 23.904,1004 11.937,1005 2.834,1006 9.02,1007 21.606,1008 4.07,1009 13.157,1010 15.975,1011 7.524,1012 26.147,1013 12.939,1014 2.64,1015 8.807,1016 23.426,1017 3.881,1018 14.275,1019 17.4,1020 9.547,1021 28.463,1022 14.042,1023 2.331,1024 8.479,1025 25.251,1026 3.231,1027 15.332,1028 18.725,1029 8.915,1030 30.743,1031 15.087,1032 2.146,1033 6.723,1034 27.08,1035 3.101,1036 16.436,1037 20.13,1038 10.952,1039 33.056,1040 16.18,1041 2.076,1042 6.088,1043 28.914,1044 3.008,1045 17.515,1046 21.484,1047 10.3,1048 35.356,1049 17.249,1050 16131,1051 25792,1052 24.561,1053 42.841,1054 57.336,1055 59.698,1056 56.936,1057 54.994,1058 55.039,1059 67.878,1060 12.918,1061 155.887,1062 53.585,1063 5.442,1064 6.059,1065 6.357,1066 5.143,1067 5.103,1068 7.07,1069 4.069,1070 17.274,1071 5.073,1072 18.175,1073 1.55,1074 1.613,1075 1.539,1076 1.486,1077 1.488,1078 1.835,1079 0.349,1080 4.213,1081 1.448,1082 4.056,1083 4.093,1084 4,1085 3.982,1086 7.431,1087 3.979,1088 3.92,1089 3.974,1090 3.882,1091 3.729,1092 7.426,1093 3.762,1094 3.85,1095 3.904,1096 3.749,1097 3.726,1098 6.821,1099 3.721,1100 3.733,1101 3.788,1102 3.626,1103 3.589,1104 4.892,1105 3.593,1106 3.601,1107 3.68,1108 3.465,1109 3.397,1110 4.746,1111 3.405,1112 3.332,1113 3.377,1114 3.283,1115 3.103,1116 4.357,1117 3.141,1118 3.222,1119 3.268,1120 3.114,1121 3.009,1122 4.308,1123 3.023,1124 3.111,1125 3.206,1126 2.952,1127 2.945,1128 4.207,1129 2.935,1130 0.12,1131 0.11,1132 0.177,1133 0.111,1134 0.084,1135 4.442,1136 0.11,1137 4.059,1138 0.055,1139 6.555,1140 0.281,1141 4.093,1142 0.083,1143 3.103,1144 4.07,1145 2.035,1146 10.408,1147 3.073,1148 2.011,1149 1.984,1150 2.135,1151 2.103,1152 1.457,1153 2.114,1154 1.845,1155 1.794,1156 2.045,1157 2.002,1158 1.393,1159 2.016,1160 1.709,1161 1.657,1162 1.885,1163 1.892,1164 1.073,1165 1.895,1166 1.574,1167 1.502,1168 1.825,1169 1.827,1170 0.982,1171 1.826,1172 1.513,1173 1.462,1174 1.632,1175 1.741,1176 0.825,1177 1.72,1178 1.458,1179 1.417,1180 1.513,1181 1.654,1182 0.73,1183 1.617,1184 1.197,1185 1.134,1186 1.504,1187 1.45,1188 0.648,1189 1.448,1190 1.153,1191 1.064,1192 1.447,1193 1.376,1194 0.603,1195 1.429,1196 4.317,1198 5.631,1199 2.398,1200 7.132,1201 4.595,1202 8.714,1203 6.581,1204 10.341,1206 3.835,1212 8.225,1213 2.991,1216 0.388,1217 3.879,1220 8.981,1221 1.934,1222 40.406,1223 99.209,1224 248.469,1225 328.665,1226 347.42,1227 351.42,1228 351.42,1229 72.414,1230 7.796,1231 105.12,1232 105.12,1233 23,1234 12.664,1235 4,1236 3.524,1237 56.78,1238 153,1239 174,1240 0.174,1241 250.082,1242 444.3,1243 601.96,1244 25148,1246 24.079,1247 0.708,1248 0.586,1249 24.079,1250 19.933,1251 16.44,1252 0.444,1253 0.324,1254 11.816,1255 15.858,1256 11.495,1257 9.558,1258 16.44,1259 11.97,1260 14.737,1261 0.289,1262 0.184,1263 14.737,1264 9.373,1265 12.113,1266 0.184,1267 0.1,1268 12.113,1269 6.607,1270 9.955,1271 0.119,1272 0.057,1273 9.955,1274 4.783,1275 7.72,1276 0.074,1277 0.033,1278 7.72,1279 3.444,1280 0.275,1281 102.775,1282 0.202,1283 31.59,1284 0.474,1285 176,1286 482.717,1287 190.836,1288 472.942,1289 637.26,1290 440,1291 205,1292 458.949,1293 220.948,1294 469.617,1295 680.35,1296 439,1297 5}
{0 CHEMBL1908396,1 1.725,2 13.882,3 3.467,4 12.019,5 127.926,6 8.286,7 0.595,8 4.179,9 4.273,10 3.865,11 3.695,12 5.365,13 3.691,14 4.676,15 4.82,16 4.21,17 4.029,18 5.836,19 4.019,20 4.81,21 4.952,22 4.267,23 4.128,24 5.969,25 4.117,26 4.908,27 5.054,28 4.256,29 4.189,30 6.087,31 4.155,32 5.014,33 5.2,34 4.236,35 4.199,36 6.198,37 4.144,38 4.963,39 5.171,40 4.112,41 4.147,42 6.037,43 4.08,44 4.901,45 5.101,46 4.059,47 4.096,48 5.988,49 4.024,50 4.825,51 5.018,52 4.052,53 4.041,54 5.849,55 3.962,56 0.12,57 0.839,58 10.643,59 5.373,60 9.758,61 5.983,62 0.542,63 1.287,64 23.313,65 8.563,66 38.93,67 9.636,68 0.646,69 1.464,70 26.135,71 9.446,72 43.65,73 10.616,74 0.671,75 1.578,76 29.749,77 11.1,78 45.753,79 12.502,80 1.021,81 1.662,82 33.575,83 11.797,84 80.173,85 14.557,86 0.681,87 1.573,88 32.873,89 11.964,90 57.179,91 15.044,92 0.762,93 1.482,94 30.187,95 10.886,96 69.801,97 13.307,98 0.632,99 1.381,100 29.803,101 10.812,102 44.617,103 12.91,104 35,105 51,106 0.279,107 0.614,108 0.773,109 0.835,110 0.848,111 0.877,112 3.56,113 0.911,114 -1.72,115 -1.79,116 -1.81,118 41.4,119 1,123 3,125 1,136 6,137 1,138 6,139 2,140 1,145 1,150 1,152 1,161 2,164 11,166 2,167 1,168 2,169 3,172 1,173 8,175 2,177 3,179 4,182 3,183 5,187 2,189 5,192 4,193 4,195 3,197 3,200 4,202 1,203 5,208 4,210 1,211 6,214 1,216 2,217 4,219 2,220 7,224 1,226 2,228 1,229 4,231 1,233 3,238 2118,239 23.281,240 23.281,241 23.281,242 23.281,243 23.281,244 20.546,245 29.158,246 13.636,247 24.349,248 18.084,249 18.084,250 18.084,251 18.084,252 18.084,253 13.753,254 39.065,255 6.209,256 19.529,257 4.133,258 2.056,259 1.074,260 0.69,261 0.608,262 0.431,263 4.254,267 1,268 1012,269 4.062,271 111.91,272 315.11,276 169.572,279 2.256,280 34.222,283 1,284 0.67,285 1,286 0.6,288 1,289 1,290 0.75,291 75,292 472,293 4.575,294 3.585,295 6.585,296 4.099,297 3.135,298 4.513,299 1.659,300 10.529,301 3.023,302 4.283,303 3.329,304 6.197,305 3.886,306 2.933,307 3.921,308 0.86,309 9.273,310 2.789,311 4.08,312 3.15,313 6.044,314 3.726,315 2.81,316 3.575,317 0.86,318 8.662,319 2.571,320 3.991,321 3.027,322 6.037,323 3.582,324 2.652,325 3.493,326 0.86,327 8.625,328 2.457,329 3.678,330 2.961,331 5.4,332 3.277,333 2.335,334 2.994,335 0.86,336 7.015,337 2.184,338 3.509,339 2.549,340 5.092,341 3.085,342 2.15,343 2.798,344 0.564,345 6.11,346 1.993,347 3.327,348 2.228,349 4.97,350 2.859,351 1.908,352 2.63,353 0.133,354 5.701,355 1.809,356 2.999,357 1.967,358 4.488,359 2.581,360 1.663,361 2.22,363 4.379,364 1.511,365 2.956,366 1.932,367 4.354,368 2.532,369 1.588,370 2.073,372 4.164,373 1.495,374 2.854,375 1.827,376 4.074,377 2.425,378 1.464,379 1.959,381 3.582,382 1.392,383 2.692,384 1.471,385 3.886,386 2.256,387 1.347,388 1.751,389 3.079,390 1.214,391 2.123,392 1.014,393 3.263,394 1.684,395 0.772,396 1.005,397 1.833,398 0.692,399 2.118,400 1,401 3.2,402 1.569,403 0.67,404 0.927,405 1.446,406 0.595,407 1.909,408 0.959,409 3,410 1.444,411 0.618,412 0.804,413 1.372,414 0.486,415 1.771,416 0.94,417 2.977,418 1.415,419 0.542,420 0.639,421 1.01,422 0.481,423 16.1,424 0.474,425 0.742,426 0.022,427 46.75,428 1.375,429 24,430 0.706,431 22.75,432 0.669,433 28.055,434 0.825,435 36.7,436 0.633,437 38.204,438 1.124,439 9.515,440 0.28,441 7.001,442 0.206,443 0.145,445 0.342,449 0.889,450 1.317,451 0.716,452 1.061,453 0.703,454 0.93,455 1.188,456 0.982,457 0.848,458 0.845,459 0.783,460 0.747,461 1.216,462 1.052,463 0.999,464 0.989,465 1.11,466 0.924,467 1.146,468 1.216,469 1.165,470 1.213,471 1.102,472 1.135,473 0.994,474 0.925,475 0.891,476 0.934,477 1.316,478 1.037,479 0.962,480 0.997,481 0.833,482 0.92,483 1.075,484 0.962,485 1.112,486 0.892,487 0.919,488 0.848,489 1.257,490 0.978,491 1.043,492 1.013,493 0.97,494 1.013,495 0.692,496 1.022,497 7,498 0.227,499 3.778,500 2.153,501 2.441,502 1.052,503 0.879,504 0.572,505 0.365,506 0.298,507 17564,508 54100,509 2.059,510 41.4,512 16,513 1,514 2,515 2,517 3,520 1.758,521 1.925,522 3.74,523 0.235,525 1,528 100.075,529 1.725,530 3.802,531 4.784,532 5.168,533 5.25,534 5.427,535 3.282,536 4.676,537 5.058,538 3.941,539 2211.08,540 8.859,541 34684.5,546 339.763,547 1.419,548 5.016,549 0.189,550 0.008,551 0.074,552 0.04,553 0.046,554 0.021,555 0.019,556 0.014,557 0.009,558 0.008,559 0.429,560 0.33,561 0.88,562 0.865,563 184.239,564 -0.076,565 -0.185,566 0.065,567 -0.071,568 -0.078,569 -0.016,570 -0.08,571 0.08,572 0.102,573 0.15,574 0.039,575 0.176,576 -0.094,577 0.023,578 -0.087,579 -0.028,580 -0.113,581 -0.021,582 -0.065,583 -0.17,584 -0.221,585 -0.221,586 -0.061,587 -0.207,588 0.097,589 0.043,590 -0.037,591 -0.041,592 0.021,593 -0.091,594 -0.025,595 -0.062,596 0.037,597 -0.005,598 -0.001,599 0.031,600 -0.085,601 0.065,602 -0.046,603 0.058,604 -0.113,605 -0.012,606 -0.049,607 -0.057,608 0.005,609 -0.02,610 -0.018,611 -0.028,612 2.032,613 5.46,614 0.618,615 39.27,616 1.016,617 1.123,618 0.49,619 0.24,620 0.682,621 3.638,622 3.951,623 4.234,624 4.489,625 4.682,626 4.762,627 4.868,628 4.977,629 5.088,630 5.136,631 8.16,632 0.657,633 480.59,634 3.638,635 5.176,636 6.028,637 6.905,638 7.773,639 8.653,640 9.527,641 10.408,642 11.285,643 12.168,644 6.9,651 2,654 2,656 2,657 9,658 2,661 1,662 7,664 22,677 4,679 58,680 23,681 2,682 37,684 61,685 24,686 18,687 7,688 5,690 4,691 5,693 1,694 1,700 1,702 19,703 5,706 1,709 1,712 1,718 24,719 9,720 2,721 10,722 1,726 4,729 0.75,730 5,739 1,744 1,745 3,749 1,766 3,768 1,770 4,774 34,781 2,782 4,784 1,789 1,795 8.6,798 1,800 4,801 17.667,802 11.733,803 7.722,804 3.101,805 3.986,806 1.499,807 0.965,808 7.824,809 11.975,810 3.912,811 4.525,812 5.122,813 5.715,814 6.236,815 6.548,816 6.921,817 7.324,818 7.728,819 7.939,820 1,821 54,822 12.504,823 5.192,824 7.789,825 23.479,826 18.432,827 2.289,828 77.833,832 258.964,833 194.25,834 69.593,836 69.144,838 31.278,839 162.972,840 328.109,841 69.593,842 41.474,843 36.022,844 64.507,845 83.188,846 95.785,847 16.047,848 254.929,850 258.964,851 232.565,852 69.144,853 31.278,855 223.651,856 104.458,858 66.015,859 132.978,860 33.571,861 31.278,862 258.964,863 138.737,864 194.25,867 258.964,868 70.174,869 124.076,870 36.022,871 102.716,872 258.964,873 138.737,874 194.25,876 0.572,877 0.35,878 0.194,879 0.1,880 23,881 11,882 0.131,883 8,884 1,885 1.095,886 4.459,887 312.161,888 0.095,889 21,890 172.974,891 1,894 24.198,895 10.994,896 5.6,897 1.461,898 138.737,899 15.766,900 8.611,903 1.481,904 4.05,906 36.022,907 591.951,908 49,911 12.46,914 -0.365,916 58.956,917 65.112,918 0.295,919 0.649,920 0.817,921 0.882,922 0.896,923 0.926,924 5.139,925 1.663,926 6.009,927 5.701,928 4.635,929 5.212,930 2.506,931 6.817,932 4.497,933 6.348,934 1.588,935 7.567,936 4.379,937 4.205,938 5.037,939 1.195,940 7.703,941 4.04,942 7.658,943 1.464,944 9.222,945 4.164,946 6.229,947 7.442,948 2.765,949 10.786,950 5.982,951 9.005,952 1.347,953 10.933,954 3.582,955 6.621,956 8.102,957 2.324,958 12.471,959 6.332,960 10.383,961 0.772,962 12.68,963 3.079,964 8.089,965 9.965,966 3.378,967 15.06,968 7.749,969 11.781,970 0.67,971 14.451,972 1.833,973 8.858,974 11.027,975 3.415,976 17.084,977 8.469,978 13.196,979 0.618,980 16.238,981 1.446,982 10.105,983 12.668,984 4.209,985 19.497,986 9.678,987 3.135,988 0.542,989 18.038,990 1.372,991 11.052,992 13.937,993 4.478,994 21.676,995 10.578,996 2.933,997 10.529,998 19.847,999 1.01,1000 12.21,1001 15.484,1002 5.142,1003 24.025,1004 11.703,1005 2.81,1006 9.273,1007 21.664,1008 4.513,1009 13.241,1010 16.86,1011 5.522,1012 26.278,1013 12.691,1014 2.652,1015 8.662,1016 23.488,1017 3.921,1018 14.365,1019 18.369,1020 6.117,1021 28.607,1022 13.783,1023 2.335,1024 8.625,1025 25.316,1026 3.575,1027 15.436,1028 19.801,1029 6.554,1030 30.898,1031 14.816,1032 2.15,1033 7.015,1034 27.149,1035 3.493,1036 16.549,1037 21.297,1038 7.11,1039 33.224,1040 15.898,1041 1.908,1042 6.11,1043 28.986,1044 2.994,1045 17.642,1046 22.76,1047 7.577,1048 35.536,1049 16.955,1050 16807,1051 29673,1052 24.561,1053 39.557,1054 54.563,1055 56.017,1056 56.598,1057 54.04,1058 54.31,1059 71.879,1060 11.591,1061 155.338,1062 50.362,1063 5.483,1064 5.585,1065 6.182,1066 5.196,1067 5.135,1068 7.513,1069 2.921,1070 17.464,1071 5.023,1072 17.822,1073 1.475,1074 1.514,1075 1.53,1076 1.461,1077 1.468,1078 1.943,1079 0.313,1080 4.198,1081 1.361,1082 4.084,1083 4.1,1084 4.213,1085 3.997,1086 7.431,1087 4.008,1088 3.92,1089 3.947,1090 4.053,1091 3.847,1092 5.084,1093 3.828,1094 3.844,1095 3.869,1096 3.867,1097 3.804,1098 4.887,1099 3.755,1100 3.544,1101 3.57,1102 3.5,1103 3.372,1104 4.847,1105 3.392,1106 3.492,1107 3.537,1108 3.447,1109 3.286,1110 4.722,1111 3.293,1112 3.26,1113 3.32,1114 3.12,1115 3.003,1116 4.51,1117 3.025,1118 3.246,1119 3.312,1120 3.065,1121 2.961,1122 4.473,1123 2.975,1124 3.225,1125 3.294,1126 3.058,1127 2.958,1128 4.234,1129 2.969,1130 0.124,1131 0.097,1132 0.178,1133 0.111,1134 0.085,1135 4.575,1136 0.122,1137 3.585,1138 0.045,1139 6.585,1140 0.285,1141 4.099,1142 0.082,1143 3.135,1144 4.513,1145 1.659,1146 10.529,1147 3.023,1148 2.02,1149 2.006,1150 2.075,1151 2.123,1152 1.207,1153 2.108,1154 1.866,1155 1.848,1156 1.953,1157 1.994,1158 1.066,1159 1.979,1160 1.636,1161 1.59,1162 1.822,1163 1.834,1164 1.035,1165 1.836,1166 1.462,1167 1.439,1168 1.646,1169 1.678,1170 0.658,1171 1.664,1172 1.356,1173 1.325,1174 1.576,1175 1.525,1176 0.575,1177 1.54,1178 1.198,1179 1.144,1180 1.569,1181 1.521,1182 0.573,1183 1.531,1184 1.192,1185 1.12,1186 1.482,1187 1.504,1188 0.556,1189 1.517,1190 1.176,1191 1.117,1192 1.456,1193 1.459,1194 0.518,1195 1.449,1196 4.317,1198 5.631,1199 2.398,1200 7.141,1201 4.443,1202 8.745,1203 6.293,1204 10.4,1206 6.548,1213 5.667,1214 22.373,1216 -0.218,1222 38.115,1223 100.075,1224 220.499,1225 277.459,1226 299.724,1227 304.479,1228 314.743,1229 60.341,1230 7.989,1231 103.83,1232 132.07,1233 23,1234 12.703,1235 4.585,1236 3.7,1237 57.09,1238 168,1239 156,1240 0.165,1241 237.501,1242 408.14,1243 571.262,1244 35855,1246 24.079,1247 0.708,1248 0.586,1249 24.432,1250 19.934,1251 16.516,1252 0.446,1253 0.304,1254 10.199,1255 15.129,1256 9.788,1257 8.188,1258 16.97,1259 11.235,1260 14.365,1261 0.282,1262 0.159,1263 14.948,1264 8.114,1265 12.349,1266 0.182,1267 0.088,1268 13.065,1269 5.984,1270 10.392,1271 0.118,1272 0.046,1273 11.002,1274 4.013,1275 7.966,1276 0.074,1277 0.022,1278 8.266,1279 2.392,1280 0.264,1281 110.101,1282 0.202,1283 31.799,1284 0.437,1285 176,1286 605.494,1287 221.611,1288 585.618,1289 798.79,1290 552,1291 207,1292 570.1,1293 248.567,1294 587.54,1295 855.08,1296 548,1297 5}
{0 CHEMBL1908397,1 1.472,2 11.68,3 2.724,4 7.42,5 100.285,6 7.388,7 0.571,8 3.911,9 4.039,10 3.483,11 3.483,12 4.988,13 3.457,14 4.433,15 4.608,16 3.812,17 3.874,18 5.459,19 3.825,20 4.685,21 4.91,22 3.823,23 3.981,24 5.672,25 3.893,26 4.685,27 4.917,28 3.663,29 3.874,30 5.729,31 3.773,32 4.528,33 4.765,34 3.498,35 3.747,36 5.542,37 3.635,38 4.405,39 4.635,40 3.443,41 3.711,42 5.33,43 3.589,44 4.418,45 4.68,46 3.334,47 3.628,48 5.309,49 3.496,50 4.195,51 4.446,52 3.138,53 3.439,54 5.085,55 3.309,56 0.056,57 0.685,58 9.145,59 3.907,60 6.95,61 5.242,62 0.163,63 1.109,64 16.808,65 6.318,66 14.143,67 8.8,68 0.19,69 1.317,70 23.453,71 8.784,72 25.75,73 12.338,74 0.264,75 1.236,76 24.534,77 8.639,78 46.309,79 11.83,80 0.283,81 1.045,82 21.099,83 7.671,84 42.677,85 10.556,86 0.095,87 0.972,88 17.651,89 7.21,90 22.002,91 10.165,92 0.154,93 0.962,94 18.868,95 6.932,96 25.382,97 10.013,98 0.117,99 0.767,100 14.848,101 5.646,102 18.257,103 8.044,104 2,105 38,106 0.251,107 0.576,108 0.695,109 0.809,110 0.831,111 0.831,112 3.266,113 0.913,114 -3.62,115 -3.59,116 -3.42,118 44.4,124 4,131 2,136 8,137 3,140 1,146 1,149 1,159 1,161 12,163 1,164 4,168 2,169 14,173 7,175 1,177 3,179 11,183 6,187 3,189 7,193 3,195 1,197 3,200 7,203 4,207 4,208 7,211 4,216 3,217 8,220 1,224 1,226 7,229 2,231 2,233 1,235 4,238 873,239 17.413,240 17.413,241 17.413,242 17.413,243 17.413,244 15.36,245 10.372,246 10.451,247 17.65,248 13.826,249 13.826,250 13.826,251 13.826,252 13.826,253 10.67,254 13.198,255 4.96,256 14.164,257 4.019,258 2.116,259 1.422,260 0.756,261 0.622,262 0.622,263 3.97,265 1,266 1,267 1,268 649,269 2.828,271 58.768,272 241.746,275 109.851,279 1.904,280 16.341,282 1,283 1,284 1,285 1,286 0.8,287 0.5,288 1,289 1,290 0.9,291 53,292 292,293 4.533,294 3.693,295 6.526,296 4.045,297 3.063,298 4.486,299 1.2,300 10.265,301 3.005,302 4.264,303 3.063,304 6.391,305 3.957,306 2.973,307 3.811,308 0.4,309 9.667,310 2.926,311 3.864,312 2.578,313 5.42,314 3.499,315 2.514,316 3.237,317 0.293,318 7.116,319 2.476,320 3.467,321 2.419,322 5.171,323 3.108,324 2.139,325 2.815,327 6.188,328 2.064,329 3.281,330 2.034,331 5.073,332 2.949,333 1.972,334 2.43,336 5.877,337 1.923,338 3.046,339 1.838,340 4.186,341 2.528,342 1.546,343 2.318,345 3.765,346 1.516,347 2.775,348 1.667,349 3.899,350 2.45,351 1.497,352 1.81,354 3.319,355 1.423,356 2.66,357 1.546,358 3.593,359 2.197,360 1.205,361 1.671,363 2.815,364 1.194,365 2.5,366 1.203,367 3.414,368 2,369 1,370 1.5,372 2.275,373 1,374 2.405,375 1.146,376 3.377,377 1.967,378 1,379 1.25,381 2.136,382 0.965,383 2.112,384 1,385 3.247,386 1.868,387 0.878,388 1,389 2.07,390 0.863,391 2,392 0.809,393 3.232,394 1.716,395 0.709,396 0.944,397 1.681,398 0.709,399 1.958,400 0.435,401 2.97,402 1.38,403 0.386,404 0.595,405 0.917,406 0.383,407 1.027,408 -0.101,409 2.373,410 0.626,411 -0.379,412 -0.488,413 -0.904,414 -0.378,415 0.7,416 -0.405,417 2.104,418 0.247,419 -0.745,420 -0.814,421 -1.61,422 -0.734,423 11.933,424 0.477,425 0.448,426 0.018,427 33,428 1.32,429 17,430 0.68,431 16,432 0.64,433 17.41,434 0.696,435 25.867,436 0.575,437 22.991,438 0.92,439 6.78,440 0.271,441 5.53,442 0.221,443 0.028,445 0.285,449 0.734,450 1.155,451 0.787,452 0.975,453 0.562,454 0.897,455 0.922,456 1.128,457 0.961,458 0.983,459 0.639,460 0.965,461 0.925,462 0.999,463 0.955,464 1.013,465 0.777,466 0.986,467 1.561,468 1.006,469 1.127,470 1.021,471 1.881,472 1.032,473 1.349,474 0.855,475 1.065,476 0.91,477 1.781,478 0.961,479 0.638,480 1.112,481 0.969,482 1.138,483 0.634,484 1.105,485 0.81,486 0.936,487 0.956,488 0.954,489 0.671,490 0.966,491 0.821,492 0.942,493 0.989,494 1.002,495 0.821,496 1.013,497 3.5,498 0.115,499 2.889,500 1.479,501 0.796,502 0.486,503 0.372,504 0.205,505 0.108,506 0.128,507 8527,508 20263,509 2.179,510 44.4,512 18,515 2,520 1.672,521 2.113,522 3.504,523 0.233,524 1,525 1,528 66.256,529 1.472,530 3.376,531 4.07,532 4.736,533 4.87,534 4.87,535 2.919,536 4.214,537 4.618,538 3.671,539 1101.36,540 7.942,541 13891,543 1,545 1,546 247.133,547 1.078,548 4.606,549 0.125,550 0.007,551 0.076,552 0.04,553 0.027,554 0.019,555 0.015,556 0.009,557 0.006,558 0.008,559 0.332,560 0.5,561 1,562 0.372,563 123.075,564 0.04,565 0.001,566 0.056,567 0.017,568 -0.012,569 0.033,570 -0.022,571 -0.012,572 -0.06,573 -0.021,574 -0.008,575 -0.038,576 -0.011,577 0.005,578 0.001,579 -0.033,580 0.068,581 -0.013,582 -0.198,583 -0.056,584 -0.117,585 -0.049,586 -0.166,587 -0.07,588 -0.095,589 0.077,590 -0.061,591 0.081,592 -0.173,593 0.021,594 0.01,595 -0.164,596 -0.033,597 -0.117,598 0.013,599 -0.089,600 -0.04,601 0.006,602 0.027,603 0.036,604 0.015,605 0.04,606 -0.05,607 -0.003,608 -0.019,610 -0.061,611 -0.003,612 1.559,613 5.469,614 0.84,615 23.357,616 0.996,617 1.123,618 2.39,619 5.71,620 0.679,621 3.367,622 3.664,623 3.951,624 4.174,625 4.344,626 4.317,627 4.419,628 4.489,629 4.489,630 4.595,631 6.868,632 0.645,633 332.44,634 3.367,635 4.89,636 5.74,637 6.6,638 7.461,639 8.326,640 9.191,641 10.057,642 10.924,643 11.792,644 8.9,646 1,651 1,652 1,654 1,656 2,657 8,658 1,659 1,662 3,664 16,671 1,679 45,680 18,681 2,682 28,684 48,685 20,686 13,687 4,688 8,689 3,690 4,691 5,702 16,703 4,706 2,709 1,710 2,712 1,714 1,715 1,718 20,719 4,720 2,721 5,726 4,729 0.75,730 1,737 1,744 1,745 3,748 1,758 2,762 1,766 3,774 25,780 4,781 1,785 1,795 2.2,798 1,801 11.833,802 7.9,803 5.528,804 2.725,805 3.813,806 1.518,807 1.03,808 4.53,809 11.177,810 3.664,811 4.245,812 4.878,813 5.45,814 5.943,815 6.239,816 6.66,817 7.041,818 7.276,819 7.737,820 0.875,821 37,822 9.239,823 3.93,824 7.62,825 17.912,826 14.845,827 2.12,828 53,831 1,832 211.88,833 121.735,834 54.461,836 25.145,839 121.735,840 237.025,841 54.461,843 11.547,844 112.773,845 46.513,846 27.751,847 2.757,848 211.88,850 211.88,851 176.196,852 25.145,855 211.88,856 25.145,858 48.365,859 92.215,860 35.616,862 211.88,863 79.606,864 121.735,867 211.88,868 26.972,869 97.887,870 34.674,871 41.808,872 211.88,873 79.606,874 121.735,876 0.574,877 0.342,878 0.184,879 0.095,880 19,881 7,882 0.063,883 3,884 1,885 1.095,886 3.92,887 202.21,888 0.095,889 21,890 105.342,894 15.915,895 7.116,896 3.444,897 2.059,898 62.943,899 15.767,900 4.288,901 3.053,904 2.776,906 34.674,907 413.221,908 38,911 12.469,912 4.043,914 0.108,916 44.803,917 50.524,918 0.268,919 0.615,920 0.741,921 0.862,922 0.887,923 0.887,924 4.875,925 1.205,926 5.694,927 3.319,928 4.344,929 4.931,930 1.435,931 6.472,932 4.302,933 6.061,934 1,935 7.229,936 2.815,937 3.761,938 4.605,939 0.325,940 7.318,941 3.705,942 7.352,943 1,944 8.869,945 2.275,946 5.9,947 7.139,948 1.523,949 10.419,950 5.82,951 8.684,952 0.878,953 10.574,954 2.136,955 6.217,956 7.757,957 0.653,958 12.144,959 6.126,960 10.054,961 0.709,962 12.322,963 2.07,964 7.755,965 9.684,966 1.741,967 14.73,968 7.641,969 11.452,970 0.386,971 14.099,972 1.681,973 8.489,974 10.749,975 1.001,976 16.798,977 8.363,978 12.87,979 -0.379,980 15.896,981 0.917,982 9.775,983 12.423,984 1.993,985 19.211,986 9.629,987 3.063,988 -0.745,989 17.709,990 -0.904,991 10.707,992 13.707,993 1.37,994 21.419,995 10.546,996 2.973,997 10.265,998 19.533,999 -1.61,1000 11.886,1001 15.272,1002 2.264,1003 23.769,1004 11.706,1005 2.514,1006 9.667,1007 21.366,1008 4.486,1009 12.91,1010 16.664,1011 1.754,1012 26.035,1013 12.714,1014 2.139,1015 7.116,1016 23.205,1017 3.811,1018 14.044,1019 18.183,1020 2.551,1021 28.361,1022 13.83,1023 1.972,1024 6.188,1025 25.05,1026 3.237,1027 15.112,1028 19.627,1029 2.143,1030 30.653,1031 14.88,1032 1.546,1033 5.877,1034 26.899,1035 2.815,1036 16.228,1037 21.129,1038 2.851,1039 32.971,1040 15.978,1041 1.497,1042 3.765,1043 28.751,1044 2.43,1045 17.316,1046 22.598,1047 2.535,1048 35.274,1049 17.048,1050 7883,1051 12265,1052 19.474,1053 30.569,1054 42.444,1055 42.775,1056 42.43,1057 41.793,1058 41.765,1059 55.734,1060 3.786,1061 116.181,1062 40.892,1063 5.533,1064 5.693,1065 6.328,1066 5.112,1067 5.063,1068 7.486,1069 2.293,1070 17.009,1071 5.005,1072 6.241,1073 1.516,1074 1.528,1075 1.515,1076 1.493,1077 1.492,1078 1.991,1079 0.135,1080 4.149,1081 1.46,1082 4.111,1083 4.149,1084 4.074,1085 4.016,1086 7.428,1087 4.024,1088 3.95,1089 3.984,1090 3.896,1091 3.874,1092 5.093,1093 3.874,1094 3.771,1095 3.838,1096 3.659,1097 3.58,1098 4.728,1099 3.591,1100 3.477,1101 3.528,1102 3.387,1103 3.366,1104 4.413,1105 3.364,1106 3.271,1107 3.323,1108 3.197,1109 3.072,1110 4.377,1111 3.094,1112 3.111,1113 3.206,1114 2.952,1115 2.941,1116 4.124,1117 2.91,1118 3.054,1119 3.126,1120 2.866,1121 2.832,1122 3.703,1123 2.852,1124 2.866,1125 2.931,1126 2.733,1127 2.735,1128 3.674,1129 2.725,1130 0.162,1131 0.132,1132 0.233,1133 0.144,1134 0.109,1135 4.533,1136 0.16,1137 3.693,1138 0.043,1139 6.526,1140 0.367,1141 4.045,1142 0.107,1143 3.063,1144 4.486,1145 1.2,1146 10.265,1147 3.005,1148 1.964,1149 1.942,1150 2.059,1151 2.053,1152 1.255,1153 2.054,1154 1.904,1155 1.881,1156 2.007,1157 1.994,1158 1.163,1159 2.001,1160 1.731,1161 1.66,1162 1.941,1163 1.932,1164 1.091,1165 1.942,1166 1.521,1167 1.47,1168 1.657,1169 1.742,1170 0.825,1171 1.712,1172 1.168,1173 1.118,1174 1.513,1175 1.432,1176 0.704,1177 1.429,1178 1.153,1179 1.064,1180 1.318,1181 1.376,1182 0.395,1183 1.402,1184 0.993,1185 0.934,1186 1.212,1187 1.262,1188 0.291,1189 1.255,1190 0.886,1191 0.821,1192 1.181,1193 1.062,1194 0.218,1195 1.107,1196 4.043,1198 5.342,1199 2.398,1200 6.845,1201 4.727,1202 8.431,1203 6.823,1204 10.057,1212 3.274,1213 3.262,1217 1.901,1222 29.015,1223 66.256,1224 151.914,1225 183.133,1226 213.133,1227 219.133,1228 219.133,1229 33.477,1230 7.364,1231 61.02,1232 61.02,1233 23,1234 12.337,1235 4.248,1236 3.459,1237 36.262,1238 105,1239 88,1240 0.168,1241 177.871,1242 301.45,1243 425.764,1244 17016,1246 17.062,1247 0.682,1248 0.556,1249 17.062,1250 13.905,1251 12.31,1252 0.44,1253 0.304,1254 8.427,1255 11.939,1256 8.276,1257 6.842,1258 12.31,1259 8.524,1260 10.661,1261 0.281,1262 0.162,1263 10.661,1264 6.152,1265 9.456,1266 0.185,1267 0.088,1268 9.456,1269 4.495,1270 7.713,1271 0.121,1272 0.048,1273 7.713,1274 3.073,1275 6.066,1276 0.08,1277 0.027,1278 6.066,1279 2.055,1280 0.271,1281 76.418,1282 0.227,1283 24.812,1284 0.439,1285 132,1286 343.691,1287 141.458,1288 339.888,1289 473.47,1290 320,1291 155,1292 355.031,1293 165.624,1294 361.553,1295 527.98,1296 342,1297 5}
{0 CHEMBL215152,1 1.681,2 17.459,3 3.771,4 14.22,5 139.919,6 7.577,7 0.55,8 4.307,9 4.435,10 3.872,11 3.771,12 5.458,13 3.774,14 4.827,15 5.009,16 4.192,17 4.127,18 5.96,19 4.108,20 5.066,21 5.289,22 4.202,23 4.231,24 6.134,25 4.185,26 5.098,27 5.335,28 4.193,29 4.241,30 6.171,31 4.167,32 5.13,33 5.377,34 4.134,35 4.209,36 6.206,37 4.136,38 5.077,39 5.331,40 4.092,41 4.138,42 6.191,43 4.06,44 4.929,45 5.166,46 3.994,47 4.054,48 5.984,49 3.995,50 4.815,51 5.039,52 3.982,53 4.027,54 5.903,55 3.96,56 0.144,57 1.088,58 13.616,59 5.607,60 16.068,61 7.417,62 0.443,63 1.651,64 25.778,65 8.954,66 42.252,67 12.355,68 0.745,69 1.9,70 35.981,71 10.775,72 73.434,73 15.28,74 0.757,75 1.89,76 37.31,77 12.071,78 69.112,79 17.533,80 0.771,81 1.811,82 39.939,83 12.191,84 98.061,85 17.545,86 0.945,87 1.666,88 38.803,89 11.702,90 116.811,91 17.129,92 0.766,93 1.581,94 32.383,95 9.258,96 76.09,97 13.442,98 0.524,99 1.523,100 26.96,101 8.899,102 47.555,103 13.035,104 27,105 53,106 0.264,107 0.627,108 0.817,109 0.91,110 0.91,111 0.91,112 3.641,113 0.908,114 -4.34,115 -4.28,116 -4.04,118 38.8,119 1,120 2,124 5,136 8,137 1,138 3,140 1,141 2,142 1,146 1,149 1,159 1,161 4,163 1,164 10,166 3,168 7,169 7,173 4,175 1,176 1,177 2,179 2,182 3,183 9,185 2,186 1,187 5,189 6,192 1,193 2,195 2,197 3,200 3,202 2,203 9,205 2,206 1,207 3,208 7,211 3,214 2,216 3,217 2,219 3,220 6,222 1,224 5,226 5,229 2,231 1,233 4,235 1,238 3142,239 25.342,240 25.342,241 25.342,242 25.342,243 25.342,244 22.558,245 34.329,246 15.396,247 26.028,248 19.724,249 19.724,250 19.724,251 19.724,252 19.724,253 15.519,254 51.895,255 7.238,256 20.792,257 4.385,258 2.082,259 0.87,260 0.28,261 0.28,262 0.28,263 4.338,267 1,268 1367,269 4.472,271 108.317,272 361.786,276 188.83,279 3.229,280 42.761,283 0.75,284 0.5,285 0.67,286 0.7,287 0.5,288 0.67,289 0.5,290 0.61,291 82,292 646,293 4.526,294 3.63,295 6.529,296 4.042,297 3.075,298 4.464,299 1.987,300 10.306,301 2.975,302 4.148,303 3.155,304 5.728,305 3.759,306 2.788,307 3.75,308 0.86,309 8.122,310 2.706,311 4.055,312 2.951,313 5.572,314 3.626,315 2.667,316 3.657,317 0.8,318 7.651,319 2.553,320 3.774,321 2.876,322 5.43,323 3.401,324 2.478,325 3.213,326 0.4,327 7.171,328 2.298,329 3.616,330 2.804,331 5.299,332 3.36,333 2.423,334 2.867,335 0.324,336 6.787,337 2.259,338 3.466,339 2.709,340 5.15,341 3.232,342 2.266,343 2.655,345 6.375,346 2.172,347 3.34,348 2.319,349 4.961,350 2.925,351 1.993,352 2.466,354 5.729,355 1.848,356 3.206,357 2.24,358 4.757,359 2.769,360 1.816,361 2.442,363 5.211,364 1.715,365 3.039,366 1.87,367 4.44,368 2.567,369 1.597,370 2.252,372 4.417,373 1.537,374 2.96,375 1.693,376 4.148,377 2.482,378 1.543,379 2.119,381 3.725,382 1.442,383 2.657,384 1.567,385 3.617,386 2.369,387 1.417,388 1.728,389 3.03,390 1.342,391 2.518,392 1.476,393 3.479,394 2.171,395 1.18,396 1.52,397 2.587,398 1.165,399 2.385,400 1.275,401 3.402,402 2.02,403 1.099,404 1.341,405 2.224,406 1.003,407 2.206,408 1.022,409 3.28,410 1.904,411 0.947,412 1.102,413 1.822,414 0.904,415 2.103,416 0.864,417 3.13,418 1.71,419 0.728,420 1.064,421 1.738,422 0.714,423 17.086,424 0.462,425 0.724,426 0.02,427 47.5,428 1.284,429 23,430 0.622,431 24.5,432 0.662,433 31.584,434 0.854,435 41.114,436 0.614,437 38.653,438 1.045,439 9.642,440 0.261,441 8.391,442 0.227,443 0.085,445 0.287,448 1,449 0.795,450 1.298,451 0.782,452 1.15,453 0.658,454 0.992,455 0.887,456 1.151,457 0.895,458 1.079,459 0.658,460 1.003,461 1.179,462 1.024,463 1.052,464 0.934,465 1.017,466 0.953,467 0.727,468 0.948,469 0.91,470 1.057,471 0.646,472 1.032,473 1.015,474 0.92,475 0.957,476 0.977,477 1.099,478 0.96,479 0.83,480 0.823,481 0.828,482 0.857,483 0.7,484 0.857,485 1.144,486 0.934,487 1.035,488 0.836,489 0.938,490 0.894,491 0.648,492 1.004,493 0.948,494 1.095,495 0.546,496 1.084,497 7.5,498 0.206,499 2.667,500 2.444,501 1.449,502 0.962,503 0.534,504 0.481,505 0.303,506 0.306,507 24809,508 71439,509 2.071,510 44.8,512 18,514 1,515 4,516 2,517 3,518 2,520 1.775,521 1.965,522 4.047,523 1.525,528 112.603,529 1.681,530 3.984,531 5.196,532 5.786,533 5.786,534 5.786,535 3.517,536 5.155,537 5.172,538 4.276,539 2847.78,540 9.075,541 51192.2,546 406.428,547 1.283,548 5.153,549 0.188,550 0.006,551 0.05,552 0.047,553 0.029,554 0.02,555 0.012,556 0.011,557 0.007,558 0.008,559 0.379,561 0.75,562 1.56,563 210.706,564 -0.06,565 -0.137,566 0.034,567 -0.049,568 -0.055,569 0.002,570 -0.027,571 -0.09,572 0.003,573 -0.056,574 0.023,575 -0.031,576 -0.162,577 -0.012,578 -0.081,579 0.039,580 -0.102,581 0.007,582 0.112,583 -0.005,584 0.047,585 -0.064,586 0.09,587 -0.034,588 -0.053,589 -0.032,590 0.036,591 -0.003,592 -0.059,593 0.03,594 0.131,595 0.002,596 0.179,597 0.113,598 0.14,599 0.142,600 -0.124,601 0.019,602 -0.044,603 0.12,604 -0.099,605 0.068,606 0.095,607 -0.009,608 -0.026,609 -0.097,610 0.068,611 -0.093,612 2.084,613 5.319,614 0.568,615 61.746,616 1.012,617 1.141,618 3.115,619 9.701,620 0.649,621 3.714,622 3.989,623 4.205,624 4.454,625 4.605,626 4.673,627 4.787,628 4.942,629 5.05,630 5.124,631 10.066,632 0.627,633 507.63,634 3.714,635 5.231,636 6.052,637 6.907,638 7.743,639 8.604,640 9.448,641 10.314,642 11.164,643 12.034,644 10.4,647 1,651 1,652 2,654 3,656 2,657 9,658 3,659 1,662 6,664 22,674 1,677 1,678 1,679 67,680 23,681 2,682 40,684 70,685 26,686 17,687 5,688 7,690 4,691 5,694 2,700 2,702 18,703 8,706 1,709 1,712 1,716 1,718 30,719 10,720 4,721 11,726 7,729 0.75,730 3,731 1,737 1,740 1,744 1,745 3,749 1,755 1,763 1,764 1,766 3,770 1,772 1,774 37,779 1,780 7,781 2,782 1,785 1,794 1,795 4.5,796 1,798 1,800 1,801 18.833,802 11.976,803 8.389,804 4.04,805 4.241,806 1.511,807 0.961,808 9.52,809 12.544,810 3.97,811 4.535,812 5.07,813 5.663,814 6.143,815 6.418,816 6.796,817 7.218,818 7.598,819 7.779,820 0.917,821 52,822 13.677,823 5.722,824 7.892,825 25.769,826 20.475,827 2.392,828 88.5,832 306.049,833 143.188,834 106.043,836 78.828,837 14.96,839 143.188,840 384.877,841 121.003,842 8.825,843 33.989,844 118.493,845 91.855,846 79.255,847 22.373,848 294.278,850 306.049,851 249.231,852 93.788,855 262.153,856 95,857 42.683,858 91.375,859 107.621,860 50.234,862 321.009,863 184.871,864 143.188,867 306.049,868 49.934,869 96.378,870 52.685,871 144.022,872 306.049,873 199.831,874 143.188,876 0.563,877 0.32,878 0.176,879 0.089,880 22,881 10,882 0.186,883 13,884 1,885 1.095,886 4.954,887 329.043,888 0.095,889 21,890 192.75,894 26.642,895 13.221,896 7.782,897 1.513,898 183.168,899 14.521,900 12.897,901 2.832,904 2.348,906 95.368,907 649.068,908 52,911 12.293,914 -0.295,916 67.81,917 76.438,918 0.277,919 0.657,920 0.857,921 0.954,922 0.954,923 0.954,924 5.179,925 1.816,926 6.004,927 5.729,928 4.673,929 5.223,930 2.373,931 6.744,932 4.575,933 6.358,934 1.597,935 7.512,936 5.211,937 4.111,938 4.945,939 1.668,940 7.466,941 3.966,942 7.641,943 1.543,944 9.113,945 4.417,946 6.196,947 7.39,948 3.17,949 10.538,950 6.013,951 8.959,952 1.417,953 10.769,954 3.725,955 6.447,956 7.962,957 3.181,958 12.104,959 6.224,960 10.307,961 1.18,962 12.463,963 3.03,964 7.967,965 9.866,966 4.326,967 14.676,968 7.711,969 11.679,970 1.099,971 14.183,972 2.587,973 8.621,974 10.869,975 4.656,976 16.637,977 8.331,978 13.069,979 0.947,980 15.924,981 2.224,982 9.892,983 12.535,984 5.604,985 19.036,986 9.572,987 3.075,988 0.728,989 17.682,990 1.822,991 10.756,992 13.769,993 6.091,994 21.191,995 10.405,996 2.788,997 10.306,998 19.454,999 1.738,1000 11.917,1001 15.327,1002 6.928,1003 23.533,1004 11.537,1005 2.667,1006 8.122,1007 21.239,1008 4.464,1009 12.89,1010 16.682,1011 7.501,1012 25.78,1013 12.481,1014 2.478,1015 7.651,1016 23.035,1017 3.75,1018 14.005,1019 18.193,1020 8.273,1021 28.107,1022 13.568,1023 2.423,1024 7.171,1025 24.841,1026 3.657,1027 15.036,1028 19.611,1029 8.894,1030 30.397,1031 14.57,1032 2.266,1033 6.787,1034 26.656,1035 3.213,1036 16.135,1037 21.105,1038 9.631,1039 32.722,1040 15.641,1041 1.993,1042 6.375,1043 28.478,1044 2.867,1045 17.198,1046 22.556,1047 10.279,1048 35.033,1049 16.675,1050 23907,1051 40870,1052 26.929,1053 43.478,1054 57.72,1055 59.01,1056 59.7,1057 57.527,1058 57.475,1059 74.798,1060 8.742,1061 156.512,1062 54.599,1063 5.452,1064 5.63,1065 6.311,1066 5.126,1067 5.075,1068 7.464,1069 3.497,1070 17.2,1071 4.975,1072 17.777,1073 1.443,1074 1.475,1075 1.492,1076 1.438,1077 1.437,1078 1.87,1079 0.219,1080 3.913,1081 1.365,1082 4.079,1083 4.117,1084 4.047,1085 3.972,1086 8.201,1087 3.985,1088 3.943,1089 3.985,1090 3.896,1091 3.833,1092 7.429,1093 3.839,1094 3.875,1095 3.921,1096 3.827,1097 3.721,1098 6.456,1099 3.743,1100 3.771,1101 3.844,1102 3.637,1103 3.574,1104 5.109,1105 3.578,1106 3.525,1107 3.577,1108 3.435,1109 3.317,1110 4.966,1111 3.333,1112 3.436,1113 3.483,1114 3.361,1115 3.219,1116 4.674,1117 3.235,1118 3.35,1119 3.418,1120 3.214,1121 3.144,1122 4.659,1123 3.167,1124 3.331,1125 3.406,1126 3.108,1127 3.124,1128 4.275,1129 3.106,1130 0.113,1131 0.091,1132 0.163,1133 0.101,1134 0.077,1135 4.526,1136 0.112,1137 3.63,1138 0.05,1139 6.529,1140 0.258,1141 4.042,1142 0.074,1143 3.075,1144 4.464,1145 1.987,1146 10.306,1147 2.975,1148 2.002,1149 1.978,1150 2.064,1151 2.118,1152 1.267,1153 2.102,1154 1.882,1155 1.854,1156 1.986,1157 2.001,1158 1.171,1159 1.996,1160 1.724,1161 1.654,1162 1.961,1163 1.951,1164 1.063,1165 1.959,1166 1.641,1167 1.602,1168 1.788,1169 1.82,1170 1.024,1171 1.809,1172 1.486,1173 1.425,1174 1.769,1175 1.73,1176 0.975,1177 1.733,1178 1.389,1179 1.323,1180 1.677,1181 1.636,1182 0.871,1183 1.629,1184 1.339,1185 1.259,1186 1.524,1187 1.598,1188 0.549,1189 1.614,1190 1.235,1191 1.178,1192 1.378,1193 1.486,1194 0.469,1195 1.456,1196 4.394,1198 5.68,1199 2.398,1200 7.146,1201 4.595,1202 8.7,1203 6.555,1204 10.305,1206 2.07,1208 13.319,1211 9.089,1212 4.032,1213 5.819,1214 5.889,1217 2.173,1222 41.999,1223 112.603,1224 266.902,1225 348.163,1226 387.673,1227 387.673,1228 387.673,1229 80.399,1230 8.303,1231 128.29,1232 128.29,1233 23,1234 12.582,1235 4.585,1236 3.7,1237 65.309,1238 220,1239 236,1240 0.14,1241 259.143,1242 445.72,1243 624.07,1244 59378,1245 1.5,1246 26.037,1247 0.704,1248 0.556,1249 25.167,1250 20.576,1251 18.034,1252 0.451,1253 0.303,1254 11.89,1255 17.112,1256 11.684,1257 9.668,1258 17.64,1259 12.113,1260 15.637,1261 0.295,1262 0.158,1263 15.003,1264 8.4,1265 12.456,1266 0.189,1267 0.086,1268 12.136,1269 5.696,1270 10.618,1271 0.125,1272 0.045,1273 10.267,1274 3.856,1275 7.92,1276 0.08,1277 0.024,1278 7.79,1279 2.327,1280 0.23,1281 114.505,1282 0.193,1283 34.912,1284 0.355,1285 186,1286 639.311,1287 210.266,1288 585.122,1289 784.3,1290 548,1291 212,1292 563.94,1293 234.712,1294 559.909,1295 810.57,1296 527,1297 5}
{0 CHEMBL221959,1 1.567,2 8.696,3 1.372,4 1.883,5 87.831,6 7.266,7 0.4,8 3.858,9 3.998,10 3.408,11 3.334,12 4.964,13 3.324,14 4.432,15 4.643,16 3.762,17 3.746,18 5.408,19 3.709,20 4.697,21 4.92,22 3.855,23 3.924,24 5.691,25 3.859,26 4.853,27 5.103,28 3.837,29 3.998,30 5.874,31 3.897,32 4.905,33 5.183,34 3.72,35 4.009,36 5.772,37 3.869,38 4.827,39 5.104,40 3.663,41 3.916,42 5.78,43 3.789,44 4.681,45 4.945,46 3.517,47 3.743,48 5.755,49 3.62,50 4.465,51 4.769,52 3.189,53 3.443,54 5.493,55 3.305,56 0.02,57 0.693,58 9.09,59 3.332,60 9.916,61 4.976,62 0.278,63 1.085,64 18.121,65 5.65,66 22.406,67 8.677,68 0.25,69 1.31,70 24.153,71 7.443,72 39.951,73 11.503,74 0.483,75 1.411,76 29.517,77 9.021,78 72.937,79 13.754,80 0.428,81 1.405,82 31.822,83 9.981,84 54.136,85 15.511,86 0.334,87 1.307,88 29.314,89 8.631,90 58.293,91 13.766,92 0.462,93 1.106,94 25.547,95 7.42,96 68.581,97 11.408,98 0.26,99 0.837,100 21.112,101 5.624,102 40.757,103 9.33,104 20,105 35,106 0.274,107 0.644,108 0.86,109 0.876,110 0.876,111 0.876,112 3.189,113 0.933,114 -3,115 -3.01,116 -2.9,118 37.2,119 1,120 2,121 1,123 1,124 2,125 1,136 1,137 1,141 1,142 1,145 1,149 2,152 1,161 3,163 3,164 8,166 1,168 2,169 1,172 1,173 6,182 3,183 3,185 2,189 2,192 2,193 5,200 4,203 4,207 1,208 3,210 3,211 5,214 1,216 2,217 1,220 2,226 1,228 2,229 2,231 1,233 1,238 709,239 15.56,240 15.56,241 15.56,242 15.56,243 15.56,244 14.091,245 16.291,246 9.16,247 15.944,248 12.26,249 12.26,250 12.26,251 12.26,252 12.26,253 9.988,254 21.804,255 4.2,256 12.86,257 3.859,258 1.738,259 0.5,260 0.407,261 0.407,262 0.407,263 3.866,265 1,266 1,267 1,268 426,269 3.317,271 47.145,272 133.048,275 88.881,279 1.361,280 22.725,283 1,284 1,285 1,286 0.8,287 0.5,288 1,289 1,290 0.9,291 50,292 200,293 4.557,294 4.093,295 6.803,296 4.155,297 3.205,298 4.474,299 2.65,300 11.145,301 3.046,302 4.076,303 3.667,304 6.327,305 3.883,306 2.919,307 3.218,308 1.749,309 9.527,310 2.813,311 3.838,312 3.345,313 5.963,314 3.58,315 2.613,316 3.056,317 0.8,318 8.302,319 2.528,320 3.477,321 2.888,322 5.451,323 3.125,324 2.176,325 2.619,326 0.547,327 6.657,328 2.054,329 3.365,330 2.381,331 4.576,332 2.508,333 1.554,334 2.321,336 4.315,337 1.481,338 3.048,339 2.038,340 4.211,341 2.485,342 1.543,343 1.92,345 3.807,346 1.46,347 2.703,348 1.614,349 4.104,350 2.479,351 1.52,352 1.708,354 3.61,355 1.437,356 2.521,357 1.547,358 3.659,359 1.947,360 1,361 1.5,363 2.362,364 0.945,365 2.5,366 1.512,367 3.396,368 1.868,369 0.917,370 1.283,372 2.222,373 0.869,374 2.103,375 1.046,376 3.069,377 1.839,378 0.848,379 1.031,381 1.399,382 0.831,383 1.723,384 1,385 2.957,386 1.323,387 0.392,388 0.523,389 0.97,390 0.364,391 1.18,392 0.458,393 2.508,394 0.849,395 -0.127,396 -0.135,397 -0.278,398 -0.123,399 0.963,400 0.157,401 2.291,402 0.419,403 -0.585,404 -0.785,405 -0.922,406 -0.552,407 0.772,408 -0.22,409 2.249,410 0.316,411 -0.614,412 -0.841,413 -1.49,414 -0.594,415 0.5,416 -0.501,417 1.95,418 0.112,419 -0.829,420 -1,421 -2.428,422 -0.78,423 10.733,424 0.467,425 0.559,426 0.024,427 29,428 1.261,429 13,430 0.565,431 16,432 0.696,433 19.759,434 0.859,435 25.267,436 0.588,437 19.773,438 0.86,439 5.462,440 0.237,441 5.651,442 0.246,443 0.161,445 0.354,449 0.785,450 1.683,451 0.793,452 1.281,453 0.477,454 1.069,455 0.81,456 1.013,457 0.86,458 0.91,459 0.488,460 0.885,461 1.057,462 1.244,463 1.01,464 1.144,465 0.839,466 1.079,467 1.012,468 0.926,469 1.059,470 1.027,471 0.787,472 1.054,473 0.811,474 0.904,475 0.977,476 0.993,477 0.721,478 1.012,479 0.939,480 0.99,481 1.011,482 1.021,483 0.943,484 1.02,485 1.186,486 0.907,487 1.136,488 1.024,489 1.404,490 1.08,491 0.98,492 0.917,493 0.952,494 0.928,495 0.899,496 0.923,497 4,498 0.041,499 3.333,500 1.75,501 1.217,502 0.903,503 0.469,504 0.359,505 0.131,506 0.091,507 5072,508 14465,509 2.041,510 46.5,511 3,512 9,513 1,514 1,515 1,516 2,517 3,520 1.662,521 1.89,522 3.116,523 -0.241,524 1,525 1,526 1,528 67.381,529 1.567,530 3.688,531 4.926,532 5.019,533 5.019,534 5.019,535 2.541,536 4.35,537 4.496,538 3.239,539 819.495,540 7.766,541 9094.07,543 1,546 233.329,547 1.478,548 4.443,549 0.16,550 0.007,551 0.095,552 0.047,553 0.035,554 0.029,555 0.016,556 0.015,557 0.008,558 0.008,559 0.42,560 0.5,561 1,562 1.226,563 105.892,564 -0.038,565 -0.402,566 0.063,567 -0.16,568 0.051,569 -0.052,570 0.09,571 0.131,572 0.072,573 0.099,574 0.039,575 0.086,576 -0.099,577 -0.183,578 -0.065,579 -0.131,580 -0.015,581 -0.098,582 0.006,583 0.061,584 -0.087,585 -0.041,586 0.074,587 -0.077,588 0.01,589 0.008,590 -0.006,591 0.009,592 -0.035,594 -0.091,595 -0.06,596 -0.036,597 -0.042,598 -0.079,599 -0.027,600 -0.041,601 0.02,602 -0.136,603 -0.062,604 -0.145,605 -0.115,606 -0.062,607 -0.056,608 0.059,609 0.002,610 0.016,611 0.052,612 1.757,613 5.035,614 0.652,615 16.253,616 1.003,617 1.142,618 1.775,619 3.15,620 0.647,621 3.258,622 3.584,623 3.892,624 4.143,625 4.317,626 4.382,627 4.454,628 4.5,629 4.431,630 4.443,631 5.258,632 0.617,633 312.42,634 3.258,635 4.796,636 5.659,637 6.544,638 7.427,639 8.318,640 9.208,641 10.101,642 10.994,643 11.889,644 14,650 1,651 1,652 1,653 1,654 2,656 2,657 3,658 2,659 1,662 1,664 10,675 1,679 43,680 12,682 25,684 45,685 16,686 6,690 3,691 4,694 1,697 2,698 1,700 3,701 1,702 7,703 8,704 1,706 1,709 1,712 1,714 1,715 1,718 20,719 6,720 1,721 7,726 6,729 0.667,730 1,740 1,741 1,744 1,745 2,748 1,754 1,756 1,766 2,770 2,774 23,780 4,784 2,785 2,787 1,791 1,793 1,795 2.3,798 1,801 12.167,802 8.333,803 5.167,804 2.635,805 2.176,806 1.315,807 0.951,808 4.495,809 9.091,810 3.526,811 4.047,812 4.606,813 5.172,814 5.559,815 5.842,816 6.175,817 6.484,818 6.31,819 6.53,820 0.833,821 37,822 8.495,823 3.583,824 7.819,825 16.252,826 13.401,827 2.319,828 53.333,832 223.651,833 81.567,834 87.665,836 25.145,839 81.567,840 248.796,841 87.665,842 17.222,843 12.405,844 18.524,845 93.509,846 62.161,847 14.099,848 200.109,850 223.651,851 169.231,852 25.145,855 188.338,856 60.458,858 79.409,859 56.252,860 33.571,862 223.651,863 112.809,864 81.567,867 223.651,868 20.601,869 50.612,870 33.387,871 89.775,872 223.651,873 112.809,874 81.567,876 0.578,877 0.355,878 0.194,879 0.099,880 17,881 8,882 0.067,883 3,884 1,885 1.133,886 3.412,887 186.366,888 0.133,889 15,890 104.042,894 15.766,895 6.557,896 3.02,897 1.783,898 96.024,899 5.369,900 8.656,901 3.094,904 0.864,906 16.786,907 418.027,908 33,911 12.035,914 -0.09,916 43.123,917 49.106,918 0.289,919 0.68,920 0.908,921 0.925,922 0.925,923 0.925,924 4.783,925 1,926 5.652,927 3.61,928 4.263,929 4.732,930 3.059,931 6.497,932 4.171,933 5.978,934 0.917,935 7.238,936 2.362,937 3.892,938 4.511,939 1.738,940 7.483,941 3.769,942 7.281,943 0.848,944 8.928,945 2.222,946 5.883,947 6.879,948 4.68,949 10.61,950 5.702,951 8.618,952 0.392,953 10.679,954 1.399,955 6.365,956 7.584,957 3.393,958 12.417,959 6.15,960 9.988,961 -0.127,962 12.469,963 0.97,964 7.817,965 9.418,966 6.518,967 15.061,968 7.548,969 11.383,970 -0.585,971 14.283,972 -0.278,973 8.668,974 10.557,975 5.294,976 17.192,977 8.358,978 12.797,979 -0.614,980 16.115,981 -0.922,982 9.918,983 12.188,984 8.412,985 19.673,986 9.557,987 3.205,988 -0.829,989 17.96,990 -1.49,991 10.929,992 13.527,993 7.317,994 21.945,995 10.524,996 2.919,997 11.145,998 19.814,999 -2.428,1000 12.105,1001 15.077,1002 10.325,1003 24.369,1004 11.648,1005 2.613,1006 9.527,1007 21.676,1008 4.474,1009 13.187,1010 16.505,1011 9.381,1012 26.705,1013 12.682,1014 2.176,1015 8.302,1016 23.545,1017 3.218,1018 14.337,1019 18.023,1020 12.246,1021 29.11,1022 13.781,1023 1.554,1024 6.657,1025 25.418,1026 3.056,1027 15.452,1028 19.49,1029 11.448,1030 31.479,1031 14.846,1032 1.543,1033 4.315,1034 27.295,1035 2.619,1036 16.596,1037 20.996,1038 14.171,1039 33.879,1040 15.938,1041 1.52,1042 3.807,1043 29.176,1044 2.321,1045 17.727,1046 22.481,1047 13.507,1048 36.264,1049 17.017,1050 5032,1051 8585,1052 16.414,1053 27.819,1054 38.783,1055 41.043,1056 39.434,1057 37.352,1058 37.373,1059 47.31,1060 11.491,1061 108.632,1062 35.657,1063 5.557,1064 6.093,1065 6.572,1066 5.236,1067 5.205,1068 7.474,1069 5.231,1070 18.665,1071 4.985,1072 11.679,1073 1.551,1074 1.642,1075 1.577,1076 1.494,1077 1.495,1078 1.892,1079 0.46,1080 4.345,1081 1.426,1082 4.1,1083 4.15,1084 4.064,1085 3.952,1086 7.428,1087 3.974,1088 3.895,1089 3.952,1090 3.8,1091 3.741,1092 6.817,1093 3.745,1094 3.595,1095 3.642,1096 3.517,1097 3.418,1098 5.122,1099 3.435,1100 3.408,1101 3.495,1102 3.296,1103 3.18,1104 4.498,1105 3.195,1106 3.22,1107 3.308,1108 3.103,1109 2.993,1110 4.354,1111 3.006,1112 3.213,1113 3.304,1114 3.067,1115 2.99,1116 4.065,1117 2.993,1118 3.001,1119 3.104,1120 2.761,1121 2.799,1122 3.811,1123 2.773,1124 2.844,1125 2.903,1126 2.703,1127 2.558,1128 3.731,1129 2.591,1130 0.182,1131 0.164,1132 0.272,1133 0.166,1134 0.128,1135 4.557,1136 0.179,1137 4.093,1138 0.106,1139 6.803,1140 0.446,1141 4.155,1142 0.122,1143 3.205,1144 4.474,1145 2.65,1146 11.145,1147 3.046,1148 1.902,1149 1.851,1150 2.07,1151 2.081,1152 1.441,1153 2.077,1154 1.773,1155 1.729,1156 1.856,1157 1.957,1158 0.99,1159 1.931,1160 1.53,1161 1.486,1162 1.709,1163 1.742,1164 0.847,1165 1.73,1166 1.466,1167 1.396,1168 1.641,1169 1.696,1170 0.804,1171 1.692,1172 1.289,1173 1.199,1174 1.601,1175 1.535,1176 0.679,1177 1.563,1178 1.196,1179 1.104,1180 1.534,1181 1.45,1182 0.604,1183 1.481,1184 1.036,1185 0.935,1186 1.421,1187 1.284,1188 0.593,1189 1.337,1190 0.869,1191 0.79,1192 1.09,1193 1.123,1194 0.256,1195 1.121,1196 3.932,1198 5.252,1199 2.398,1200 6.779,1201 4.595,1202 8.402,1203 6.605,1204 10.075,1206 4.205,1212 2.206,1216 0.606,1217 3.925,1220 8.739,1221 1.943,1222 26.531,1223 67.381,1224 158.574,1225 211.82,1226 215.82,1227 215.82,1228 215.82,1229 41.059,1230 6.915,1231 88.91,1232 88.91,1233 17,1234 12.415,1235 3.7,1236 3.17,1237 36.646,1238 71,1239 84,1240 0.255,1241 166.338,1242 282.79,1243 397.625,1244 8339,1246 16.397,1247 0.713,1248 0.581,1249 16.397,1250 13.359,1251 11.113,1252 0.445,1253 0.311,1254 7.64,1255 10.602,1256 7.414,1257 6.159,1258 11.113,1259 7.771,1260 9.789,1261 0.28,1262 0.173,1263 9.789,1264 6.056,1265 8.578,1266 0.179,1267 0.097,1268 8.578,1269 4.666,1270 7.119,1271 0.115,1272 0.053,1273 7.119,1274 3.256,1275 5.314,1276 0.072,1277 0.03,1278 5.314,1279 2.188,1280 0.387,1281 70.171,1282 0.247,1283 22.155,1284 0.736,1285 120,1286 352.294,1287 133.066,1288 343.07,1289 463.41,1290 320,1291 143,1292 336.58,1293 157.178,1294 341.037,1295 495.21,1296 319,1297 5}
{0 CHEMBL223360,1 1.634,2 11.429,3 4.169,4 17.383,5 107.914,6 8.162,7 0.71,8 3.95,9 4.077,10 3.584,11 3.517,12 5.182,13 3.516,14 4.409,15 4.555,16 3.957,17 3.901,18 5.658,19 3.881,20 4.647,21 4.824,22 4,23 4.007,24 5.876,25 3.969,26 4.721,27 4.936,28 3.93,29 3.963,30 5.904,31 3.912,32 4.667,33 4.882,34 3.863,35 3.86,36 6.017,37 3.812,38 4.591,39 4.828,40 3.641,41 3.733,42 5.779,43 3.668,44 4.397,45 4.639,46 3.447,47 3.569,48 5.514,49 3.493,50 4.231,51 4.463,52 3.433,53 3.458,54 5.408,55 3.397,56 0.108,57 0.782,58 7.914,59 3.697,60 11.726,61 4.413,62 0.223,63 1.204,64 13.556,65 6.439,66 22.404,67 8.066,68 0.344,69 1.489,70 19.254,71 7.879,72 40.825,73 9.722,74 0.337,75 1.507,76 23.161,77 8.716,78 48.52,79 11.124,80 0.537,81 1.362,82 22.441,83 7.743,84 80.827,85 10.011,86 0.435,87 1.257,88 22.255,89 7.478,90 67.431,91 9.409,92 0.323,93 1.008,94 18.15,95 6.136,96 46.423,97 8.048,98 0.256,99 0.927,100 15.067,101 5.878,102 32.921,103 7.568,104 17,105 44,106 0.276,107 0.606,108 0.745,109 0.86,110 0.877,111 0.877,112 3.374,113 0.84,114 -5.45,115 -5.33,116 -4.98,118 45.7,119 1,136 10,137 4,138 3,141 1,146 1,150 1,154 1,155 1,156 1,159 1,161 13,164 1,165 1,166 3,167 1,168 6,169 16,171 1,173 2,176 1,177 7,178 1,179 13,181 1,183 6,187 11,189 7,190 3,193 6,197 10,200 4,201 3,203 5,207 9,208 4,209 2,211 1,216 2,217 6,220 2,222 1,223 2,224 3,225 1,226 9,229 1,233 1,235 7,238 1148,239 18.809,240 18.809,241 18.809,242 18.809,243 18.809,244 15.963,245 17.267,246 10.95,247 19.05,248 15.292,249 15.292,250 15.292,251 15.292,252 15.292,253 11.074,254 22.095,255 5.201,256 15.696,257 3.889,258 1.931,259 1.103,260 0.424,261 0.321,262 0.321,263 4.07,266 1,267 1,268 700,269 3.082,271 65.692,272 273.275,275 123.126,279 1.939,280 29.165,282 1,283 0.75,284 1,285 1,286 0.6,288 1,289 1,290 0.76,291 61,292 320,293 4.661,294 3.575,295 6.879,296 4.209,297 3.223,298 4.621,299 1.656,300 11.471,301 3.18,302 4.252,303 3.24,304 6.094,305 3.851,306 2.89,307 3.891,308 0.247,309 8.874,310 2.77,311 4.074,312 3.12,313 5.886,314 3.656,315 2.677,316 3.693,318 8.159,319 2.619,320 3.76,321 2.672,322 5.452,323 3.402,324 2.427,325 3.118,327 7.243,328 2.359,329 3.492,330 2.42,331 4.956,332 3.11,333 2.126,334 2.805,336 5.769,337 2.085,338 3.362,339 2.347,340 4.932,341 2.94,342 1.963,343 2.703,345 5.421,346 1.902,347 3.342,348 1.983,349 4.804,350 2.87,351 1.911,352 2.608,354 5.315,355 1.83,356 2.967,357 1.801,358 4.459,359 2.486,360 1.507,361 2.173,363 4.198,364 1.473,365 2.805,366 1.535,367 4.109,368 2.347,369 1.365,370 1.914,372 3.599,373 1.33,374 2.631,375 1.185,376 3.817,377 2.138,378 1.157,379 1.692,381 2.803,382 1.132,383 2.5,384 1,385 3.414,386 2,387 1,388 1.5,389 2.275,390 1,391 2.174,392 0.794,393 3.327,394 1.703,395 0.721,396 1.031,397 1.751,398 0.706,399 1.536,400 0.764,401 3.006,402 1.209,403 0.288,404 0.342,405 0.673,406 0.26,407 1.337,408 0.578,409 2.605,410 0.978,411 0.009,412 0.011,413 0.022,414 0.009,415 1,416 0.219,417 2.391,418 0.655,419 -0.332,420 -0.412,421 -0.849,422 -0.324,423 13.119,424 0.469,425 0.75,426 0.027,427 40.75,428 1.455,429 23,430 0.821,431 17.75,432 0.634,433 18.905,434 0.675,435 28.881,436 0.628,437 31.015,438 1.108,439 8.341,440 0.298,441 5.167,442 0.185,443 0.116,445 0.381,448 1,449 0.717,450 0.909,451 0.729,452 0.816,453 0.639,454 0.77,455 0.502,456 1.016,457 0.71,458 1.005,459 0.516,460 0.932,461 0.951,462 1.066,463 1.02,464 1.089,465 0.93,466 1.075,467 1.056,468 1.148,469 1.011,470 1.107,471 0.99,472 1.058,473 0.972,474 0.955,475 1.028,476 1.025,477 0.951,478 1.031,479 1.381,480 1.015,481 1.167,482 0.97,483 1.412,484 1.008,485 1.091,486 0.88,487 1.067,488 0.899,489 1.064,490 0.956,491 0.921,492 0.98,493 0.846,494 0.985,495 0.97,496 0.93,497 6,498 0.127,499 3.333,500 2.222,501 1.559,502 0.847,503 0.532,504 0.339,505 0.207,506 0.208,507 10812,508 31589,509 2.094,510 39.1,511 3,512 10,515 5,520 1.705,521 1.953,522 3.45,523 2.467,525 1,528 75.177,529 1.634,530 3.593,531 4.421,532 5.099,533 5.203,534 5.203,535 2.833,536 4.28,537 4.783,538 3.697,539 1397.53,540 8.283,541 19134.4,543 1,545 1,546 254.084,547 1.432,548 4.736,549 0.194,550 0.006,551 0.076,552 0.051,553 0.039,554 0.024,555 0.018,556 0.014,557 0.009,558 0.01,559 0.44,560 0.17,561 0.88,562 0.573,563 142.488,564 -0.07,565 0.119,566 0.005,567 0.129,568 -0.107,569 0.099,570 0.173,571 -0.028,572 0.081,573 -0.026,574 0.084,575 -0.009,576 -0.045,577 -0.047,578 -0.138,579 -0.12,580 -0.059,581 -0.145,582 -0.099,583 -0.158,584 -0.043,585 -0.126,586 -0.048,587 -0.08,588 0.068,589 -0.046,590 -0.04,591 -0.074,592 0.141,593 -0.075,594 -0.216,595 -0.025,596 -0.122,597 0.005,598 -0.185,599 -0.024,600 -0.156,601 -0.021,602 -0.047,603 0.067,604 -0.117,605 0.043,606 0.092,607 0.034,608 0.175,609 0.036,610 0.047,611 0.099,612 2.182,613 5.783,614 0.75,615 26.857,616 1.012,617 1.129,618 4.218,619 17.792,620 0.69,621 3.466,622 3.807,623 4.078,624 4.357,625 4.554,626 4.533,627 4.635,628 4.771,629 4.762,630 4.852,631 7.166,632 0.672,633 375.44,634 3.466,635 5.017,636 5.872,637 6.758,638 7.629,639 8.516,640 9.393,641 10.281,642 11.162,643 12.051,644 10.9,648 1,651 2,652 1,654 1,656 2,657 10,658 1,659 1,662 7,664 22,673 1,678 1,679 46,680 23,681 3,682 31,684 49,685 21,686 19,687 8,688 10,690 4,691 5,693 1,694 1,702 20,703 1,706 1,709 1,712 1,715 1,716 1,718 18,719 6,720 5,721 7,726 5,729 0.75,730 1,737 1,744 1,745 3,748 1,766 3,770 1,772 1,774 28,775 1,781 2,794 1,795 2.2,798 1,801 14.333,802 8.426,803 6.056,804 2.525,805 4.156,806 1.543,807 1.046,808 4.82,809 11.808,810 3.784,811 4.446,812 5.059,813 5.692,814 6.224,815 6.466,816 6.88,817 7.326,818 7.533,819 7.893,820 1,821 44,822 10.322,823 4.475,824 7.935,825 19.23,826 15.741,827 2.435,828 68.167,831 1,832 153.024,833 139.1,834 102.245,836 25.145,837 14.96,839 139.1,840 178.169,841 117.205,842 8.825,843 36.022,844 127.66,845 41.808,846 43.427,847 23.708,848 153.024,850 153.024,851 241.344,852 40.105,855 167.984,856 25.145,858 61.51,859 163.172,860 16.663,862 167.984,863 127.39,864 139.1,867 153.024,868 35.512,869 103.588,870 52.685,871 89.665,872 153.024,873 142.35,874 139.1,876 0.588,877 0.344,878 0.19,879 0.104,880 22,881 10,882 0.061,883 3,884 1,885 1.095,886 4.019,887 241.433,888 0.095,889 21,890 130.606,894 18.169,895 7.428,896 3.771,897 1.715,898 125.687,899 17.643,900 4.049,901 2.896,904 3.414,906 85.582,907 434.474,908 43,911 12.167,914 -0.515,916 46.534,917 51.947,918 0.296,919 0.65,920 0.8,921 0.923,922 0.942,923 0.942,924 5.014,925 1.507,926 5.866,927 5.315,928 4.489,929 5.133,930 1.758,931 6.683,932 4.438,933 6.249,934 1.365,935 7.43,936 4.198,937 4.111,938 4.997,939 1.195,940 7.594,941 4.027,942 7.569,943 1.157,944 9.09,945 3.599,946 6.089,947 7.403,948 2.415,949 10.705,950 5.992,951 8.926,952 1,953 10.809,954 2.803,955 6.509,956 8.091,957 2.324,958 12.482,959 6.38,960 10.312,961 0.721,962 12.567,963 2.275,964 7.973,965 9.976,966 3.244,967 15.123,968 7.835,969 11.721,970 0.288,971 14.354,972 1.751,973 8.77,974 11.075,975 3.407,976 17.278,977 8.606,978 13.15,979 0.009,980 16.164,981 0.673,982 10.03,983 12.741,984 4.156,985 19.767,986 9.856,987 3.223,988 -0.332,989 17.991,990 0.022,991 11.01,992 14.051,993 4.464,994 22.085,995 10.815,996 2.89,997 11.471,998 19.834,999 -0.849,1000 12.19,1001 15.623,1002 5.111,1003 24.529,1004 11.984,1005 2.677,1006 8.874,1007 21.688,1008 4.621,1009 13.257,1010 17.039,1011 5.504,1012 26.914,1013 13.035,1014 2.427,1015 8.159,1016 23.554,1017 3.891,1018 14.409,1019 18.574,1020 6.091,1021 29.348,1022 14.176,1023 2.126,1024 7.243,1025 25.428,1026 3.693,1027 15.518,1028 20.043,1029 6.531,1030 31.763,1031 15.272,1032 1.963,1033 5.769,1034 27.31,1035 3.118,1036 16.664,1037 21.566,1038 7.083,1039 34.196,1040 16.408,1041 1.911,1042 5.421,1043 29.198,1044 2.805,1045 17.795,1046 23.062,1047 7.551,1048 36.623,1049 17.527,1050 10184,1051 17540,1052 20.69,1053 31.75,1054 47.051,1055 48.091,1056 48.466,1057 46.518,1058 46.524,1059 64.205,1060 3.806,1061 135.147,1062 45.305,1063 5.532,1064 5.575,1065 6.408,1066 5.253,1067 5.223,1068 7.621,1069 2.912,1070 18.697,1071 5.18,1072 13.914,1073 1.518,1074 1.551,1075 1.563,1076 1.501,1077 1.501,1078 2.071,1079 0.123,1080 4.36,1081 1.461,1082 4.134,1083 4.17,1084 4.103,1085 4.049,1086 8.201,1087 4.056,1088 3.946,1089 3.979,1090 3.9,1091 3.858,1092 7.431,1093 3.861,1094 3.851,1095 3.888,1096 3.796,1097 3.761,1098 5.248,1099 3.765,1100 3.449,1101 3.503,1102 3.394,1103 3.201,1104 4.796,1105 3.237,1106 3.356,1107 3.422,1108 3.266,1109 3.151,1110 4.688,1111 3.177,1112 3.176,1113 3.249,1114 3.048,1115 2.999,1116 4.648,1117 2.998,1118 3.027,1119 3.111,1120 2.933,1121 2.871,1122 4.321,1123 2.878,1124 2.865,1125 2.962,1126 2.723,1127 2.735,1128 4.023,1129 2.715,1130 0.15,1131 0.115,1132 0.222,1133 0.136,1134 0.104,1135 4.661,1136 0.149,1137 3.575,1138 0.053,1139 6.879,1140 0.37,1141 4.209,1142 0.103,1143 3.223,1144 4.621,1145 1.656,1146 11.471,1147 3.18,1148 2.013,1149 1.995,1150 2.089,1151 2.08,1152 1.241,1153 2.084,1154 1.906,1155 1.88,1156 2.014,1157 2.013,1158 1.122,1159 2.012,1160 1.785,1161 1.755,1162 1.895,1163 1.896,1164 0.989,1165 1.896,1166 1.356,1167 1.283,1168 1.534,1169 1.694,1170 0.589,1171 1.64,1172 1.292,1173 1.231,1174 1.484,1175 1.587,1176 0.408,1177 1.557,1178 1.146,1179 1.079,1180 1.365,1181 1.39,1182 0.311,1183 1.407,1184 1.039,1185 0.975,1186 1.249,1187 1.298,1188 0.273,1189 1.295,1190 0.897,1191 0.835,1192 1.181,1193 1.099,1194 0.218,1195 1.112,1196 4.143,1198 5.476,1199 2.398,1200 6.999,1201 4.727,1202 8.609,1203 6.823,1204 10.266,1206 1.828,1208 13.783,1210 5.968,1213 5.219,1222 30.893,1223 75.177,1224 165.281,1225 203.355,1226 234.574,1227 239.329,1228 239.329,1229 49.071,1230 7.652,1231 95.83,1232 95.83,1233 23,1234 12.583,1235 4.585,1236 3.7,1237 42.749,1238 124,1239 98,1240 0.17,1241 189.601,1242 319.64,1243 454.385,1244 23921,1245 2.2,1246 19.673,1247 0.703,1248 0.539,1249 18.803,1250 15.084,1251 13.508,1252 0.436,1253 0.28,1254 8.57,1255 13.033,1256 8.368,1257 6.971,1258 13.097,1259 8.682,1260 12.5,1261 0.284,1262 0.147,1263 11.982,1264 6.477,1265 10.363,1266 0.179,1267 0.077,1268 9.814,1269 4.441,1270 8.806,1271 0.114,1272 0.04,1273 8.653,1274 3.091,1275 7.23,1276 0.077,1277 0.022,1278 6.696,1279 2.037,1280 0.273,1281 84.505,1282 0.22,1283 27.066,1284 0.448,1285 150,1286 479.803,1287 164.843,1288 449.791,1289 612.41,1290 418,1291 177,1292 456.773,1293 191.021,1294 460.28,1295 669.85,1296 433,1297 5}
{0 CHEMBL230011,1 1.675,2 7.885,3 2.637,4 6.954,5 95.202,6 8.659,7 0.793,8 3.843,9 3.954,10 3.515,11 3.384,12 5.164,13 3.411,14 4.25,15 4.376,16 3.905,17 3.754,18 5.605,19 3.767,20 4.496,21 4.657,22 3.98,23 3.858,24 5.801,25 3.863,26 4.507,27 4.696,28 3.942,29 3.821,30 5.799,31 3.817,32 4.496,33 4.674,34 3.931,35 3.849,36 5.791,37 3.846,38 4.514,39 4.684,40 3.954,41 3.893,42 5.791,43 3.878,44 4.559,45 4.734,46 3.901,47 3.861,48 5.867,49 3.837,50 4.566,51 4.771,52 3.675,53 3.667,54 5.923,55 3.619,56 0.151,57 0.65,58 6.242,59 2.923,60 22.572,61 3.025,62 0.206,63 0.992,64 9.428,65 4.932,66 19.459,67 5.714,68 0.38,69 1.197,70 14.477,71 5.901,72 42.394,73 6.727,74 0.385,75 1.197,76 16.05,77 6.158,78 47.359,79 7.601,80 0.445,81 1.192,82 15.109,83 5.438,84 53.866,85 6.345,86 0.349,87 1.188,88 15.003,89 6.25,90 38.169,91 7.587,92 0.335,93 1.202,94 15.847,95 6.594,96 35.346,97 7.887,98 0.528,99 1.095,100 18.861,101 6.686,102 68.064,103 8.135,104 17,105 42,106 0.29,107 0.593,108 0.706,109 0.801,110 0.81,111 0.827,112 3.306,113 0.797,114 -3.67,115 -3.64,116 -3.47,118 45,136 8,137 2,138 2,140 3,141 1,143 1,144 1,154 2,155 2,156 2,161 8,163 2,164 2,165 3,166 3,168 4,169 8,172 3,173 6,174 1,175 1,177 4,179 5,182 1,183 7,184 3,185 3,186 1,187 2,188 2,189 4,191 1,193 8,194 1,195 3,197 1,200 6,201 1,203 8,205 2,207 6,208 6,209 4,211 5,214 1,216 10,217 5,218 6,220 3,222 2,223 1,224 7,225 1,226 2,227 5,229 1,231 1,232 3,233 5,234 2,235 1,237 3,238 968,239 17.394,240 17.394,241 17.394,242 17.394,243 17.394,244 14.631,245 10.638,246 10.119,247 17.75,248 14.347,249 14.347,250 14.347,251 14.347,252 14.347,253 10.22,254 9.826,255 4.859,256 14.991,257 3.647,258 1.9,259 1.25,260 0.7,261 0.65,262 0.55,263 4.001,265 1,266 1,267 1,268 444,269 2.236,272 260.282,276 105.77,279 1.142,280 32.774,282 1,283 0.75,284 0.83,285 0.83,286 0.3,288 0.67,289 0.5,290 0.55,291 57,292 205,293 4.649,294 3.248,295 6.774,296 4.196,297 3.234,298 4.578,300 11.176,301 3.116,302 4.297,303 2.941,304 6.389,305 3.854,306 2.895,307 3.974,309 9.753,310 2.771,311 4.054,312 2.762,313 5.838,314 3.636,315 2.654,316 3.67,318 8.121,319 2.605,320 3.737,321 2.534,322 5.176,323 3.282,324 2.329,325 3.237,327 6.384,328 2.213,329 3.499,330 2.232,331 5.075,332 3.033,333 2.109,334 2.888,336 5.993,337 1.951,338 3.423,339 2.164,340 5.002,341 2.969,342 2.03,343 2.787,345 5.823,346 1.895,347 3.269,348 1.989,349 4.888,350 2.826,351 1.889,352 2.538,354 5.438,355 1.761,356 2.868,357 1.492,358 4.383,359 2.382,360 1.411,361 2.03,363 3.928,364 1.365,365 2.697,366 1.285,367 3.972,368 2.215,369 1.236,370 1.786,372 3.058,373 1.208,374 2.571,375 1.091,376 3.484,377 2.068,378 1.08,379 1.606,381 2.53,382 1.066,383 2.459,384 1.031,385 3.472,386 1.935,387 1,388 1.441,389 2.497,390 0.932,391 1.461,392 0.159,393 3.09,394 1.02,395 0.087,396 0.116,397 0.245,398 0.081,399 1.126,400 -0.057,401 2.816,402 0.631,403 -0.302,404 -0.416,405 -0.804,406 -0.281,407 0.937,408 -0.057,409 2.555,410 0.527,411 -0.404,412 -0.51,413 -0.901,414 -0.37,415 0.92,416 -0.258,417 2.37,418 0.502,419 -0.42,420 -0.529,421 -1.023,422 -0.382,423 12.067,424 0.464,425 0.75,426 0.029,427 41.5,428 1.596,429 24,430 0.923,431 17.5,432 0.673,433 15.646,434 0.602,435 26.333,436 0.658,437 31.77,438 1.222,439 8.228,440 0.316,441 4.28,442 0.165,443 0.122,445 0.414,449 1.119,450 1.065,451 0.755,452 0.753,453 1.21,454 0.682,455 0.562,456 1.047,457 0.628,458 1.018,459 0.518,460 0.881,461 1.035,462 1.088,463 0.925,464 0.99,465 1,466 0.948,467 0.828,468 1.029,469 0.824,470 0.956,471 0.731,472 0.902,473 1.021,474 0.943,475 1.012,476 0.816,477 0.916,478 0.871,479 0.794,480 1.068,481 0.897,482 1.019,483 0.708,484 0.978,485 0.958,486 1.221,487 1.072,488 1.267,489 0.896,490 1.202,491 1.214,492 1.162,493 1.277,494 1.301,495 1.326,496 1.311,497 6,498 0.012,499 2.889,500 2,501 1.933,502 1.035,503 0.773,504 0.606,505 0.358,506 0.144,507 6983,508 22132,509 2.101,510 35,512 8,515 6,520 1.701,521 1.95,522 2.983,523 3.468,524 1,525 1,526 1,528 67.006,529 1.675,530 3.422,531 4.072,532 4.622,533 4.672,534 4.772,535 2.411,536 3.594,537 4.672,538 3.145,539 1022,540 8.154,541 12426.2,542 1,543 1,544 1,545 1,546 212.877,547 1.46,548 4.624,549 0.207,550 0.006,551 0.069,552 0.045,553 0.046,554 0.025,555 0.018,556 0.016,557 0.013,558 0.01,559 0.455,560 0.33,561 1,562 0.596,563 123.35,564 -0.263,565 0.048,566 -0.044,567 0.188,568 -0.341,569 0.139,570 0.154,571 0.046,572 0.108,573 -0.061,574 0.123,575 -0.014,576 -0.091,577 -0.037,578 -0.068,579 -0.051,580 -0.13,581 -0.062,582 0.035,583 -0.001,584 0.095,585 -0.006,586 0.064,587 0.038,588 -0.124,589 0.136,590 -0.139,591 0.102,592 -0.108,593 0.013,594 0.003,595 -0.043,596 -0.032,597 -0.048,598 0.022,599 -0.04,600 -0.078,601 -0.225,602 -0.173,603 -0.296,604 -0.018,605 -0.256,606 -0.045,607 -0.243,608 -0.23,609 -0.323,610 -0.068,611 -0.32,612 1.67,613 3.83,614 0.846,615 19.941,616 1.02,617 1.127,618 2.443,619 5.967,620 0.7,621 3.401,622 3.761,623 4.043,624 4.369,625 4.673,626 4.82,627 4.997,628 5.165,629 5.288,630 5.252,631 5.233,632 0.692,633 346.38,634 3.401,635 4.963,636 5.826,637 6.727,638 7.612,639 8.521,640 9.417,641 10.33,642 11.232,643 12.147,644 15,648 2,654 4,656 2,657 8,658 4,662 8,664 23,673 2,676 2,679 40,680 23,681 2,682 29,684 43,685 18,686 18,687 4,688 8,690 4,691 5,702 18,714 1,715 1,718 14,719 8,720 6,721 8,726 6,729 0.75,730 2,736 1,740 1,745 4,749 1,766 3,774 26,775 2,779 2,795 5,797 2,801 13.333,802 7.033,803 5.556,804 2.09,805 4.41,806 1.585,807 0.998,808 3.88,809 11.946,810 3.726,811 4.425,812 5.075,813 5.749,814 6.417,815 6.84,816 7.373,817 7.9,818 8.391,819 8.697,820 1,821 44,822 9.529,823 4.18,824 7.987,825 17.529,826 14.367,827 2.487,828 64.667,831 1,832 94.169,833 95.781,834 132.936,836 85.367,839 95.781,840 179.536,841 132.936,844 141.604,845 152.509,846 15.744,847 4.227,848 94.169,850 94.169,851 228.718,852 85.367,855 95.884,856 85.367,858 9.557,859 150.303,860 67.142,862 94.169,863 218.303,864 95.781,867 94.169,868 19.971,869 75.81,871 218.303,872 94.169,873 218.303,874 95.781,876 0.591,877 0.339,878 0.192,879 0.113,880 22,881 10,882 0.047,883 2,884 1,885 1.091,886 3.637,887 235.083,888 0.091,889 22,890 112.211,894 16.21,895 6.224,896 3.048,897 0.554,898 218.303,899 13.226,900 17.142,904 2.499,906 151.161,907 408.253,908 40.5,916 40.8,917 45.069,918 0.315,919 0.643,920 0.765,921 0.868,922 0.878,923 0.897,924 4.961,925 1.411,926 5.832,927 5.438,928 4.443,929 5.112,931 6.671,932 4.356,933 6.212,934 1.236,935 7.405,936 3.928,937 4.111,938 5.007,940 7.591,941 3.968,942 7.542,943 1.08,944 9.076,945 3.058,946 6.061,947 7.417,949 10.724,950 5.9,951 8.906,952 1,953 10.802,954 2.53,955 6.494,956 8.089,958 12.468,959 6.282,960 10.299,961 0.087,962 12.566,963 2.497,964 7.958,965 9.993,967 15.131,968 7.727,969 11.712,970 -0.302,971 14.356,972 0.245,973 8.76,974 11.063,976 17.239,977 8.483,978 13.143,979 -0.404,980 16.166,981 -0.804,982 10.025,983 12.741,985 19.729,986 9.724,987 3.234,988 -0.42,989 17.992,990 -0.901,991 11.008,992 14.022,994 21.999,995 10.665,996 2.895,997 11.176,998 19.831,999 -1.023,1000 12.195,1001 15.597,1003 24.426,1004 11.822,1005 2.654,1006 9.753,1007 21.681,1008 4.578,1009 13.266,1010 16.989,1012 26.766,1013 12.853,1014 2.329,1015 8.121,1016 23.539,1017 3.974,1018 14.425,1019 18.52,1021 29.172,1022 13.978,1023 2.109,1024 6.384,1025 25.404,1026 3.67,1027 15.539,1028 19.969,1030 31.545,1031 15.053,1032 2.03,1033 5.993,1034 27.275,1035 3.237,1036 16.691,1037 21.483,1039 33.945,1040 16.17,1041 1.889,1042 5.823,1043 29.151,1044 2.888,1045 17.827,1046 22.963,1048 36.334,1049 17.267,1050 6705,1051 12062,1052 19.304,1053 27.989,1054 44.451,1055 43.771,1056 45.569,1057 43.99,1058 43.908,1059 61.301,1061 129.891,1062 41.928,1063 5.346,1064 5.248,1065 6.327,1066 5.279,1067 5.234,1068 7.578,1070 18.39,1071 5.116,1072 12.864,1073 1.533,1074 1.509,1075 1.571,1076 1.517,1077 1.514,1078 2.114,1080 4.479,1081 1.446,1082 4.091,1083 4.128,1084 4.075,1085 3.982,1086 6.473,1087 3.997,1088 3.852,1089 3.882,1090 3.805,1091 3.787,1092 6.468,1093 3.785,1094 3.845,1095 3.874,1096 3.793,1097 3.712,1098 5.34,1099 3.735,1100 3.378,1101 3.439,1102 3.336,1103 3.197,1104 4.99,1105 3.223,1106 3.104,1107 3.219,1108 3.003,1109 2.81,1110 4.887,1111 2.846,1112 2.946,1113 2.98,1114 2.846,1115 2.747,1116 4.591,1117 2.758,1118 2.936,1119 2.973,1120 2.819,1121 2.746,1122 4.555,1123 2.749,1124 2.872,1125 2.944,1126 2.757,1127 2.724,1128 4.15,1129 2.724,1130 0.16,1131 0.112,1132 0.234,1133 0.145,1134 0.112,1135 4.649,1136 0.158,1137 3.248,1139 6.774,1140 0.385,1141 4.196,1142 0.107,1143 3.234,1144 4.578,1146 11.176,1147 3.116,1148 2.008,1149 1.982,1150 2.064,1151 2.14,1152 1.164,1153 2.112,1154 1.847,1155 1.826,1156 1.957,1157 1.939,1158 1.03,1159 1.943,1160 1.786,1161 1.749,1162 1.845,1163 1.937,1164 0.844,1165 1.923,1166 1.286,1167 1.239,1168 1.397,1169 1.52,1170 0.407,1171 1.488,1172 0.989,1173 0.892,1174 1.263,1175 1.373,1176 0.185,1177 1.352,1178 0.883,1179 0.84,1180 1.142,1181 1.146,1182 0.144,1183 1.132,1184 0.883,1185 0.839,1186 1.138,1187 1.142,1188 0.106,1189 1.131,1190 0.845,1191 0.792,1192 1.059,1193 1.062,1195 1.071,1196 4.078,1198 5.425,1200 6.973,1202 8.617,1204 10.312,1210 11.587,1211 19.658,1222 27.665,1223 67.006,1224 136.877,1225 162.877,1226 184.877,1227 186.877,1228 190.877,1229 42.163,1230 7.536,1231 144.06,1232 144.06,1233 24,1234 12.661,1235 4.585,1236 3.644,1237 37.551,1238 80,1239 74,1240 0.231,1241 170.416,1242 281.46,1243 407.575,1244 17492,1246 18.259,1247 0.702,1248 0.518,1249 18.259,1250 13.457,1251 12.508,1252 0.431,1253 0.266,1254 7.597,1255 12.051,1256 7.471,1257 6.185,1258 12.508,1259 7.706,1260 11.841,1261 0.282,1262 0.135,1263 11.841,1264 5.661,1265 9.65,1266 0.172,1267 0.068,1268 9.65,1269 3.815,1270 8.595,1271 0.11,1272 0.035,1273 8.595,1274 2.695,1275 7.121,1276 0.067,1277 0.017,1278 7.121,1279 1.843,1280 0.345,1281 78.413,1282 0.228,1283 24.278,1284 0.696,1285 142,1286 433.504,1287 156.754,1288 431.088,1289 596.14,1290 400,1291 169,1292 455.018,1293 183.285,1294 462.753,1295 679.33,1296 436,1297 8.102}
{0 CHEMBL2309006,1 1.547,2 7.727,3 3.097,4 9.588,5 120.91,6 8.139,7 0.6,8 4.166,9 4.257,10 3.825,11 3.754,12 5.256,13 3.76,14 4.761,15 4.88,16 4.355,17 4.261,18 5.837,19 4.266,20 5.105,21 5.244,22 4.581,23 4.502,24 6.247,25 4.5,26 5.272,27 5.421,28 4.66,29 4.645,30 6.369,31 4.624,32 5.354,33 5.532,34 4.675,35 4.696,36 6.412,37 4.657,38 5.343,39 5.511,40 4.583,41 4.661,42 6.447,43 4.604,44 5.32,45 5.527,46 4.257,47 4.47,48 6.426,49 4.363,50 5.075,51 5.343,52 3.604,53 4.018,54 6.113,55 3.844,56 0.099,57 0.784,58 9.631,59 4.91,60 17.601,61 5.507,62 0.341,63 1.418,64 19.436,65 8.823,66 35.052,67 10.31,68 0.718,69 1.945,70 30.363,71 12.462,72 77.919,73 14.241,74 0.757,75 2.287,76 36.384,77 14.993,78 73.412,79 17.333,80 0.663,81 2.483,82 41.505,83 17.22,84 56.009,85 21.179,86 0.509,87 2.417,88 39.468,89 17.223,90 55.808,91 20.833,92 0.759,93 2.258,94 43.8,95 17.535,96 98.068,97 21.867,98 0.716,99 1.704,100 40.317,101 14.344,102 102.389,103 18.88,104 18,105 67,106 0.249,107 0.619,108 0.763,109 0.835,110 0.859,111 0.883,112 3.535,113 0.847,114 -3.29,115 -3.28,116 -3.14,118 48.1,119 1,120 1,124 2,126 1,127 1,128 1,136 8,137 6,146 4,149 1,161 13,163 2,164 11,166 1,168 3,169 14,172 1,173 11,175 2,176 1,177 4,179 14,183 15,185 3,187 3,189 16,192 1,193 12,195 3,197 5,200 21,202 1,203 9,207 13,208 18,210 1,211 4,214 1,216 14,217 11,220 2,223 1,224 5,226 9,231 1,232 1,233 1,235 4,238 1301,239 22.786,240 22.786,241 22.786,242 22.786,243 22.786,244 20.109,245 22.317,246 12.437,247 23.145,248 19.686,249 19.686,250 19.686,251 19.686,252 19.686,253 15.274,254 33.429,255 5.793,256 20.376,257 4.207,258 1.911,259 1.014,260 0.57,261 0.421,262 0.273,263 4.275,266 1,267 1,268 598,269 3.742,271 107.303,272 102.591,273 33.756,274 42.206,275 238.345,276 98.475,277 169.706,278 368.985,279 1.025,280 40.781,283 1,284 0.83,285 1,286 0.8,287 0.5,288 1,289 1,290 0.88,291 71.5,292 255,293 5.167,294 4.216,295 8.578,296 4.888,297 3.95,298 5.287,299 1.157,300 17.076,301 3.709,302 4.839,303 3.743,304 7.514,305 4.519,306 3.541,307 4.711,308 1.081,309 13.895,310 3.461,311 4.621,312 3.401,313 7.068,314 4.173,315 3.205,316 4.017,317 0.473,318 12.128,319 3.106,320 4.243,321 3.28,322 6.721,323 3.89,324 2.912,325 3.728,326 0.297,327 10.751,328 2.842,329 3.864,330 2.802,331 6.325,332 3.386,333 2.428,334 3.484,336 9.099,337 2.344,338 3.687,339 2.622,340 6.05,341 3.362,342 2.392,343 3.086,345 8.432,346 2.292,347 3.523,348 2.507,349 5.903,350 3.181,351 2.232,352 2.849,354 7.831,355 2.111,356 3.4,357 2.32,358 5.647,359 3.021,360 2.037,361 2.668,363 6.962,364 1.991,365 3.066,366 1.989,367 5.228,368 2.707,369 1.742,370 2.168,372 5.578,373 1.667,374 2.886,375 1.703,376 4.884,377 2.433,378 1.453,379 2.04,381 4.482,382 1.422,383 2.863,384 1.513,385 4.715,386 2.419,387 1.433,388 1.976,389 4.192,390 1.405,391 2.817,392 1.399,393 4.075,394 2.379,395 1.381,396 1.922,397 3.037,398 1.376,399 2.631,400 1.286,401 3.877,402 2.175,403 1.19,404 1.676,405 2.904,406 1.17,407 2.223,408 1.147,409 3.713,410 1.925,411 0.966,412 1.163,413 2.683,414 0.923,415 2.062,416 1.134,417 3.63,418 1.632,419 0.655,420 0.887,421 1.776,422 0.637,423 15.533,424 0.471,425 1.119,426 0.034,427 42.75,428 1.295,429 19.5,430 0.591,431 23.25,432 0.705,433 34.432,434 1.043,435 33.667,436 0.623,437 36.631,438 1.11,439 8.087,440 0.245,441 7.896,442 0.239,443 0.097,444 0.064,445 0.438,449 0.873,450 1.118,451 0.699,452 0.879,453 0.808,454 0.775,455 0.825,456 1.051,457 0.693,458 0.845,459 0.691,460 0.759,461 1.093,462 0.987,463 0.858,464 0.84,465 0.862,466 0.806,467 1.119,468 1.032,469 0.986,470 0.932,471 0.985,472 0.929,473 0.889,474 0.944,475 0.887,476 0.946,477 0.753,478 0.918,479 0.949,480 1.184,481 1.091,482 1.231,483 0.858,484 1.195,485 1.025,486 1.148,487 1.246,488 1.279,489 1.134,490 1.305,491 1.099,492 0.946,493 1.221,494 1.106,495 1.371,496 1.179,497 6,499 5.333,500 5.167,501 3.731,502 2.737,503 2.031,504 0.847,505 0.293,506 0.06,507 12383,508 30965,509 2.278,510 38.9,512 12,513 1,515 3,518 3,519 2,520 1.769,521 2.106,522 2.893,523 0.802,525 1,528 83.559,529 1.547,530 3.843,531 4.741,532 5.185,533 5.334,534 5.482,535 2.28,536 4.681,537 5.021,538 2.988,539 1577.92,540 8.884,541 20584.4,543 1,546 310.764,547 1.668,548 4.965,549 0.15,551 0.08,552 0.063,553 0.042,554 0.031,555 0.026,556 0.017,557 0.013,558 0.007,559 0.428,560 0.5,561 0.88,562 0.675,563 162.632,564 -0.104,565 -0.042,566 0.043,567 0.07,568 -0.137,569 0.081,570 0.047,571 0.028,572 0.121,573 0.097,574 -0.033,575 0.114,576 0.007,577 0.063,578 0.036,579 0.103,580 0.026,581 0.081,582 -0.077,583 0.006,584 -0.084,585 0.019,586 -0.078,587 -0.024,588 -0.006,589 0.069,590 0.045,591 0.027,592 0.009,593 0.043,594 -0.066,595 -0.193,596 -0.176,597 -0.255,598 -0.005,599 -0.238,600 -0.033,601 -0.213,602 -0.226,603 -0.282,604 -0.023,605 -0.29,606 -0.063,607 -0.06,608 -0.069,609 -0.083,610 -0.09,611 -0.079,612 2.727,613 6.164,614 0.848,615 22.498,616 1.011,617 1.112,618 2.064,619 4.261,620 0.698,621 3.714,622 4.22,623 4.718,624 5.204,625 5.635,626 6.038,627 6.441,628 6.798,629 7.076,630 7.337,631 4.824,632 0.679,633 439.5,634 3.714,635 5.371,636 6.347,637 7.349,638 8.351,639 9.363,640 10.374,641 11.39,642 12.405,643 13.422,644 5.6,651 1,652 2,656 8,657 8,662 2,663 2,664 24,670 1,679 54,680 25,681 3,682 40,684 61,685 26,686 18,687 10,688 8,689 1,690 8,691 80,694 2,697 2,698 1,700 2,702 19,703 7,704 1,706 1,709 1,712 1,715 1,718 21,719 5,720 3,721 7,726 3,729 0.125,730 4,731 1,733 1,735 1,741 2,744 4,745 3,746 1,747 1,748 5,749 2,750 3,751 6,764 2,765 1,766 1,770 1,774 33,779 2,780 3,781 1,782 1,784 1,786 2,795 7.4,796 2,798 1,799 1,801 15.667,802 10.133,803 6.715,804 3.335,805 5.324,806 1.509,807 1.053,808 3.14,809 15.789,810 3.989,811 4.779,812 5.608,813 6.449,814 7.231,815 7.937,816 8.655,817 9.327,818 9.884,819 10.444,820 1,821 82,822 12.431,823 6.082,824 7.732,825 23.765,826 22.398,827 2.232,828 73.667,831 1,832 211.88,833 119.22,834 21.809,836 121.512,839 119.22,840 333.391,841 21.809,842 8.825,843 22.651,844 161.177,845 40.849,846 20.461,847 20.348,848 200.109,850 211.88,851 141.029,852 121.512,855 176.567,856 60.458,857 96.367,858 35.274,859 105.754,862 211.88,863 143.32,864 119.22,867 211.88,868 34.584,869 88.433,870 18.011,871 121.512,872 211.88,873 143.32,874 119.22,876 0.617,877 0.402,878 0.244,879 0.147,880 44,881 18,882 0.016,883 1,884 10,885 1.607,886 3.91,887 416.917,888 0.714,889 25,890 166.465,894 18.522,895 5.594,896 1.829,897 7.694,898 139.522,899 16.104,904 1.713,905 4.203,906 103.377,907 474.42,908 53,911 13.164,914 -0.056,916 54.567,917 60.069,918 0.269,919 0.668,920 0.824,921 0.901,922 0.927,923 0.953,924 5.338,925 2.037,926 6.435,927 7.831,928 4.905,929 5.468,930 1.893,931 7.505,932 4.834,933 6.64,934 1.742,935 8.157,936 6.962,937 4.89,938 5.645,940 9.032,941 4.765,942 8.052,943 1.453,944 9.995,945 5.578,946 6.792,947 7.938,948 2.006,949 12.272,950 6.638,951 9.507,952 1.433,953 11.906,954 4.482,955 7.611,956 8.954,958 14.629,959 7.394,960 10.999,961 1.381,962 13.864,963 4.192,964 9.076,965 10.788,966 2.199,967 17.511,968 8.823,969 12.517,970 1.19,971 15.858,972 3.037,973 10.22,974 12.165,976 20.164,977 9.902,978 14.056,979 0.966,980 17.879,981 2.904,982 11.571,983 13.851,984 2.413,985 22.975,986 11.207,987 3.95,988 0.655,989 19.921,990 2.683,991 12.835,992 15.382,994 25.733,995 12.408,996 3.541,997 17.076,998 21.98,999 1.776,1000 14.165,1001 17.027,1002 2.637,1003 28.541,1004 13.683,1005 3.205,1006 13.895,1007 24.055,1008 5.287,1009 15.476,1010 18.622,1012 31.338,1013 14.93,1014 2.912,1015 12.128,1016 26.141,1017 4.711,1018 16.81,1019 20.26,1020 2.87,1021 34.154,1022 16.204,1023 2.428,1024 10.751,1025 28.237,1026 4.017,1027 18.142,1028 21.884,1030 36.969,1031 17.471,1032 2.392,1033 9.099,1034 30.342,1035 3.728,1036 19.483,1037 23.524,1038 3.109,1039 39.792,1040 18.749,1041 2.232,1042 8.432,1043 32.453,1044 3.484,1045 20.827,1046 25.162,1048 42.616,1049 20.028,1050 11023,1051 17519,1052 27.164,1053 37.688,1054 65.351,1055 66.741,1056 68.402,1057 64.967,1058 65.008,1059 85.638,1060 6.016,1061 225.989,1062 62.704,1063 6.094,1064 6.216,1065 8.256,1066 6.014,1067 5.95,1068 8.287,1069 2.315,1070 26.593,1071 5.709,1072 14.183,1073 1.634,1074 1.669,1075 1.71,1076 1.624,1077 1.625,1078 2.141,1079 0.15,1080 5.65,1081 1.568,1082 4.369,1083 4.392,1084 4.355,1085 4.288,1086 7.429,1087 4.301,1088 4.016,1089 4.043,1090 3.984,1091 3.951,1092 6.497,1093 3.956,1094 3.851,1095 3.874,1096 3.791,1097 3.698,1098 6.402,1099 3.716,1100 3.722,1101 3.756,1102 3.654,1103 3.622,1104 5.083,1105 3.623,1106 3.447,1107 3.491,1108 3.371,1109 3.277,1110 4.809,1111 3.296,1112 3.307,1113 3.372,1114 3.208,1115 3.166,1116 4.562,1117 3.169,1118 3.179,1119 3.234,1120 3.026,1121 2.976,1122 4.426,1123 2.964,1124 3.08,1125 3.134,1126 2.958,1127 2.902,1128 4.082,1129 2.916,1130 0.129,1131 0.105,1132 0.214,1133 0.122,1134 0.099,1135 5.167,1136 0.132,1137 4.216,1138 0.029,1139 8.578,1140 0.427,1141 4.888,1142 0.093,1143 3.95,1144 5.287,1145 1.157,1146 17.076,1147 3.709,1148 2.037,1149 2.029,1150 2.08,1151 2.081,1152 1.367,1153 2.073,1154 1.937,1155 1.914,1156 2.027,1157 2.047,1158 1.279,1159 2.042,1160 1.917,1161 1.883,1162 1.995,1163 2.024,1164 1.176,1165 2.024,1166 1.622,1167 1.593,1168 1.788,1169 1.791,1170 1.021,1171 1.786,1172 1.473,1173 1.427,1174 1.678,1175 1.704,1176 0.907,1177 1.694,1178 1.351,1179 1.294,1180 1.567,1181 1.637,1182 0.755,1183 1.615,1184 1.218,1185 1.181,1186 1.427,1187 1.442,1188 0.568,1189 1.438,1190 1.039,1191 0.982,1192 1.271,1193 1.275,1194 0.422,1195 1.287,1196 4.394,1198 5.855,1199 3.714,1200 7.523,1201 6.304,1202 9.29,1203 8.608,1204 11.114,1206 1.867,1211 22.117,1212 0.278,1213 3.05,1214 6.686,1216 -0.487,1218 -2.667,1222 36.665,1223 83.559,1224 207.545,1225 256.009,1226 280.009,1227 288.009,1228 296.009,1229 56.6,1230 10.465,1231 88.65,1232 88.65,1233 45,1234 13.871,1235 4.7,1236 3.807,1237 36.592,1238 101,1239 91,1240 0.195,1241 208.118,1242 346.74,1243 499.568,1244 536347,1246 22.275,1247 0.675,1248 0.543,1249 22.275,1250 17.923,1251 15.983,1252 0.4,1253 0.282,1254 11.14,1255 15.441,1256 10.929,1257 8.821,1258 15.983,1259 11.287,1260 15.933,1261 0.238,1262 0.144,1263 15.933,1264 9.672,1265 15.77,1266 0.142,1267 0.074,1268 15.77,1269 8.234,1270 15.019,1271 0.083,1272 0.037,1273 15.019,1274 6.732,1275 13.834,1276 0.05,1277 0.019,1278 13.834,1279 5.24,1280 0.28,1281 99.877,1282 0.192,1283 28.323,1284 0.639,1285 214,1286 539.394,1287 233.73,1288 518.616,1289 746.46,1290 490,1291 285,1292 587.334,1293 307.921,1294 590.154,1295 917.05,1296 563,1297 5}
{0 CHEMBL2309609,1 1.495,2 10.884,3 5.28,4 27.873,5 161.613,6 7.818,7 0.588,8 4.432,9 4.533,10 4.067,11 4.023,12 5.496,13 4.016,14 5.025,15 5.167,16 4.544,17 4.493,18 6.056,19 4.483,20 5.333,21 5.485,22 4.773,23 4.738,24 6.359,25 4.721,26 5.534,27 5.691,28 4.914,29 4.904,30 6.564,31 4.88,32 5.692,33 5.865,34 4.973,35 5.013,36 6.721,37 4.969,38 5.784,39 5.982,40 4.947,41 5.063,42 6.789,43 4.989,44 5.803,45 6.024,46 4.802,47 5.003,48 6.787,49 4.902,50 5.655,51 5.887,52 4.571,53 4.828,54 6.63,55 4.71,56 0.025,57 1.045,58 13.58,59 6.639,60 11.439,61 8.089,62 0.432,63 1.864,64 28.35,65 11.59,66 33.192,67 14.33,68 0.591,69 2.488,70 40.031,71 16.026,72 47.117,73 19.605,74 0.59,75 3.015,76 49.661,77 19.899,78 68.572,79 24.119,80 0.87,81 3.522,82 59.91,83 23.293,84 83.434,85 28.77,86 0.845,87 3.793,88 68.123,89 27.096,90 96.013,91 34.924,92 0.914,93 3.759,94 73.598,95 28.599,96 122.862,97 37.189,98 0.723,99 3.236,100 64.383,101 24.864,102 97.084,103 32.687,104 27,105 81,106 0.226,107 0.55,108 0.729,109 0.82,110 0.857,111 0.873,112 3.789,113 0.868,114 -4.65,115 -4.57,116 -4.3,118 47.9,119 1,120 1,123 2,124 1,125 2,126 1,128 1,136 13,137 7,146 4,149 2,161 19,163 3,164 14,166 1,168 2,169 20,172 4,173 16,177 2,179 16,182 3,183 22,187 2,189 18,192 3,193 18,195 2,197 2,200 21,202 4,203 25,207 4,208 21,210 1,211 22,214 1,216 4,217 15,220 19,222 1,226 18,228 2,229 10,231 1,235 23,238 2814,239 29.799,240 29.799,241 29.799,242 29.799,243 29.799,244 26.304,245 30.079,246 16.787,247 30.356,248 25.135,249 25.135,250 25.135,251 25.135,252 25.135,253 19.497,254 44.101,255 7.85,256 25.984,257 4.695,258 2.551,259 1.37,260 0.766,261 0.524,262 0.415,263 4.529,267 1,268 1091,269 4.301,271 117.954,272 292.693,273 48.012,275 428.391,276 142.616,277 80.078,278 647.113,279 1.484,280 43.775,283 0.75,284 0.67,285 0.83,286 0.7,287 0.5,288 0.83,289 1,290 0.75,291 92,292 468,293 5.131,294 4.04,295 8.023,296 4.733,297 3.789,298 5.285,299 1.2,300 15.525,301 3.603,302 4.749,303 3.739,304 7.445,305 4.427,306 3.461,307 4.71,308 1.157,309 13.614,310 3.318,311 4.521,312 3.685,313 6.996,314 4.161,315 3.195,316 3.954,317 1.081,318 11.917,319 3.089,320 4.265,321 3.376,322 6.686,323 3.971,324 2.997,325 3.728,326 0.86,327 10.657,328 2.92,329 4.164,330 3.251,331 6.556,332 3.829,333 2.846,334 3.608,335 0.473,336 10.109,337 2.791,338 3.861,339 2.781,340 6.122,341 3.474,342 2.503,343 3.413,344 0.297,345 8.641,346 2.417,347 3.73,348 2.684,349 6.05,350 3.375,351 2.4,352 3.062,353 0.293,354 8.415,355 2.342,356 3.548,357 2.551,358 5.872,359 3.227,360 2.274,361 2.88,363 7.822,364 2.15,365 3.515,366 2.334,367 5.689,368 3.078,369 2.086,370 2.804,372 7.135,373 2.064,374 3.28,375 2.204,376 5.368,377 2.851,378 1.875,379 2.536,381 5.862,382 1.827,383 3.078,384 2.048,385 5.049,386 2.695,387 1.723,388 2.206,389 5.157,390 1.668,391 2.934,392 1.976,393 4.776,394 2.538,395 1.575,396 2.1,397 4.576,398 1.508,399 2.867,400 1.705,401 4.719,402 2.429,403 1.436,404 1.998,405 4.263,406 1.419,407 2.856,408 1.522,409 4.126,410 2.38,411 1.381,412 1.96,413 3.115,414 1.378,415 2.677,416 1.399,417 4.035,418 2.291,419 1.334,420 1.735,421 3.029,422 1.269,423 20.433,424 0.475,425 1.252,426 0.029,427 56.75,428 1.32,429 27,430 0.628,431 29.75,432 0.692,433 48.198,434 1.121,435 43.767,436 0.6,437 54.516,438 1.268,439 11.085,440 0.258,441 9.85,442 0.229,443 0.106,444 0.024,445 0.45,449 0.753,450 1.239,451 0.699,452 0.997,453 0.577,454 0.863,455 0.972,456 0.994,457 0.77,458 0.8,459 0.617,460 0.757,461 1.129,462 1.017,463 0.863,464 0.884,465 0.809,466 0.836,467 1.278,468 1.087,469 0.951,470 0.968,471 1.15,472 0.918,473 1.218,474 1.054,475 1.055,476 1.012,477 0.954,478 1.003,479 0.979,480 1.088,481 1.037,482 1.082,483 0.821,484 1.069,485 1.065,486 1.038,487 1.087,488 1.073,489 1.104,490 1.084,491 1.045,492 1.016,493 1.122,494 1.093,495 1.017,496 1.115,497 6.5,498 0.252,499 5.778,500 5.528,501 4.473,502 3.053,503 2.468,504 1.458,505 0.89,506 0.532,507 26543,508 63347,509 2.243,510 41.1,512 23,513 1,515 1,518 3,519 2,520 1.829,521 2.089,522 3.324,523 -0.438,528 109.126,529 1.495,530 3.639,531 4.82,532 5.424,533 5.666,534 5.775,535 2.751,536 5.101,537 5.395,538 3.484,539 3146.34,540 9.625,541 49138.1,546 451.857,547 1.534,548 5.355,549 0.127,550 0.006,551 0.071,552 0.055,553 0.039,554 0.026,555 0.022,556 0.015,557 0.012,558 0.009,559 0.384,560 0.33,561 0.75,562 0.613,563 234.301,564 -0.021,565 -0.151,566 0.081,567 -0.038,568 -0.053,569 0.023,570 0.058,571 0.098,572 0.112,573 0.141,574 0.011,575 0.134,576 0.013,577 0.047,578 0.054,579 0.064,580 -0.004,581 0.066,582 -0.099,583 -0.041,584 -0.018,585 -0.015,586 -0.088,587 -0.008,588 -0.056,589 -0.008,590 -0.101,591 -0.061,592 -0.031,593 -0.082,594 0.012,595 -0.087,596 -0.067,597 -0.104,598 0.032,599 -0.098,600 -0.039,601 -0.079,602 -0.072,603 -0.078,604 -0.027,605 -0.08,606 -0.071,607 -0.062,608 -0.098,609 -0.095,610 -0.036,611 -0.098,612 2.23,613 6.883,614 0.814,615 41.589,616 1.003,617 1.113,618 3.423,619 11.715,620 0.695,621 3.951,622 4.407,623 4.875,624 5.342,625 5.759,626 6.131,627 6.525,628 6.891,629 7.185,630 7.475,631 6.34,632 0.668,633 570.69,634 3.951,635 5.58,636 6.532,637 7.509,638 8.488,639 9.48,640 10.471,641 11.471,642 12.47,643 13.474,644 5.5,651 2,652 2,656 8,657 13,662 3,663 2,664 30,670 1,671 1,679 73,680 32,681 4,682 51,684 81,685 35,686 24,687 11,688 13,689 2,690 9,691 81,694 1,697 4,700 4,702 26,703 9,706 2,709 2,712 2,718 30,719 6,720 1,721 8,726 4,729 0.222,730 4,741 2,744 3,745 5,746 1,748 6,749 2,750 1,751 7,765 2,766 2,770 3,774 43,780 2,781 1,782 2,784 3,785 1,786 1,795 5.5,798 2,799 2,801 20.583,802 14.35,803 9.014,804 4.487,805 6.057,806 1.543,807 1.076,808 5.202,809 17.206,810 4.234,811 4.966,812 5.754,813 6.552,814 7.305,815 7.968,816 8.673,817 9.34,818 9.897,819 10.463,820 0.75,821 100,822 16.107,823 7.503,824 7.626,825 31.088,826 28.16,827 2.126,828 91.417,832 341.362,833 193.771,834 24.933,836 72.29,839 193.771,840 413.652,841 24.933,842 28.105,843 25.775,844 123.191,845 81.699,846 23.647,847 20.348,848 329.591,850 341.362,851 218.704,852 72.29,855 306.049,856 85.603,857 22,858 38.399,859 180.305,862 341.362,863 97.223,864 193.771,867 341.362,868 42.475,869 158.218,870 18.011,871 72.29,872 341.362,873 97.223,874 193.771,876 0.602,877 0.387,878 0.237,879 0.141,880 49,881 21,882 0.037,883 3,884 10,885 1.486,886 4.618,887 578.002,888 0.571,889 32,890 227.329,894 25.494,895 8.774,896 3.102,897 8.149,898 93.425,899 25.993,904 2.401,905 4.568,906 18.011,907 632.355,908 68,911 27.424,914 -0.107,916 73.203,917 81.228,918 0.242,919 0.588,920 0.779,921 0.876,922 0.915,923 0.933,924 5.551,925 2.274,926 6.583,927 8.415,928 5.094,929 5.656,930 2.398,931 7.595,932 5.028,933 6.818,934 2.086,935 8.263,936 7.822,937 4.934,938 5.712,939 0.325,940 8.936,941 4.821,942 8.196,943 1.875,944 10.052,945 7.135,946 6.891,947 8.054,948 2.49,949 12.174,950 6.748,951 9.616,952 1.723,953 11.907,954 5.862,955 7.586,956 8.993,957 0.653,958 14.362,959 7.385,960 11.075,961 1.575,962 13.806,963 5.157,964 9.055,965 10.847,966 2.676,967 17.185,968 8.823,969 12.563,970 1.436,971 15.736,972 4.576,973 10.105,974 12.183,975 1.001,976 19.696,977 9.813,978 14.073,979 1.381,980 17.688,981 4.263,982 11.427,983 13.876,984 2.896,985 22.418,986 11.095,987 3.789,988 1.334,989 19.658,990 3.115,991 12.619,992 15.388,993 1.37,994 25.051,995 12.23,996 3.461,997 15.525,998 21.642,999 3.029,1000 13.905,1001 17.034,1002 3.137,1003 27.756,1004 13.47,1005 3.195,1006 13.614,1007 23.639,1008 5.285,1009 15.157,1010 18.621,1011 1.754,1012 30.439,1013 14.666,1014 2.997,1015 11.917,1016 25.646,1017 4.71,1018 16.441,1019 20.258,1020 3.394,1021 33.148,1022 15.901,1023 2.846,1024 10.657,1025 27.662,1026 3.954,1027 17.719,1028 21.879,1029 2.143,1030 35.854,1031 17.125,1032 2.503,1033 10.109,1034 29.686,1035 3.728,1036 19.011,1037 23.519,1038 3.662,1039 38.57,1040 18.365,1041 2.4,1042 8.641,1043 31.717,1044 3.608,1045 20.304,1046 25.156,1047 2.535,1048 41.288,1049 19.604,1050 23670,1051 36698,1052 34.737,1053 50.739,1054 81.873,1055 83.792,1056 85.013,1057 81.12,1058 81.073,1059 106.902,1060 10.722,1061 267.411,1062 78.481,1063 6.131,1064 6.04,1065 7.825,1066 5.865,1067 5.789,1068 8.285,1069 2.357,1070 24.412,1071 5.603,1072 18.973,1073 1.605,1074 1.643,1075 1.667,1076 1.591,1077 1.59,1078 2.096,1079 0.21,1080 5.243,1081 1.539,1082 4.367,1083 4.39,1084 4.352,1085 4.287,1086 7.431,1087 4.3,1088 4.019,1089 4.046,1090 3.986,1091 3.953,1092 7.426,1093 3.957,1094 3.943,1095 3.972,1096 3.885,1097 3.858,1098 5.093,1099 3.858,1100 3.829,1101 3.86,1102 3.762,1103 3.687,1104 4.812,1105 3.7,1106 3.725,1107 3.762,1108 3.657,1109 3.623,1110 4.73,1111 3.624,1112 3.508,1113 3.564,1114 3.429,1115 3.322,1116 4.687,1117 3.343,1118 3.411,1119 3.467,1120 3.307,1121 3.234,1122 4.465,1123 3.24,1124 3.319,1125 3.375,1126 3.228,1127 3.132,1128 4.409,1129 3.151,1130 0.101,1131 0.079,1132 0.157,1133 0.093,1134 0.074,1135 5.131,1136 0.104,1137 4.04,1138 0.024,1139 8.023,1140 0.304,1141 4.733,1142 0.071,1143 3.789,1144 5.285,1145 1.2,1146 15.525,1147 3.603,1148 2.036,1149 2.028,1150 2.08,1151 2.095,1152 1.377,1153 2.081,1154 1.958,1155 1.932,1156 2.057,1157 2.068,1158 1.349,1159 2.07,1160 1.907,1161 1.882,1162 2.019,1163 2.019,1164 1.166,1165 2.005,1166 1.889,1167 1.856,1168 1.954,1169 1.999,1170 1.141,1171 2.003,1172 1.78,1173 1.746,1174 1.934,1175 1.918,1176 1.072,1177 1.927,1178 1.41,1179 1.353,1180 1.668,1181 1.667,1182 0.846,1183 1.658,1184 1.382,1185 1.32,1186 1.603,1187 1.642,1188 0.769,1189 1.632,1190 1.316,1191 1.269,1192 1.577,1193 1.55,1194 0.684,1195 1.553,1196 4.635,1198 6.057,1199 3.434,1200 7.692,1201 6.009,1202 9.429,1203 8.32,1204 11.225,1206 5.66,1212 0.99,1213 3.126,1214 13.578,1216 -1.211,1217 1.826,1218 -0.98,1222 48.793,1223 109.126,1224 265.646,1225 351.835,1226 395.941,1227 413.593,1228 421.593,1229 73.798,1230 11.149,1231 77.73,1232 77.73,1233 52,1234 13.932,1235 5.044,1236 4.17,1237 49.806,1238 172,1239 204,1240 0.153,1241 282.14,1242 479.62,1243 680.183,1244 1253820,1246 29.198,1247 0.679,1248 0.561,1249 29.198,1250 24.126,1251 20.936,1252 0.411,1253 0.289,1254 14.559,1255 20.216,1256 14.193,1257 11.597,1258 20.936,1259 14.758,1260 19.933,1261 0.246,1262 0.149,1263 19.933,1264 12.092,1265 19.217,1266 0.148,1267 0.077,1268 19.217,1269 10.036,1270 18.325,1271 0.088,1272 0.04,1273 18.325,1274 8.327,1275 16.612,1276 0.053,1277 0.02,1278 16.612,1279 6.453,1280 0.226,1281 130.7,1282 0.17,1283 35.915,1284 0.471,1285 264,1286 674.21,1287 287.03,1288 648.608,1289 928.49,1290 614,1291 343,1292 721.878,1293 369.693,1294 729.588,1295 1117.2,1296 692,1297 5}
{0 CHEMBL24828,1 1.715,2 12.633,3 5.087,4 25.882,5 118.666,6 8.804,7 0.515,8 4.096,9 4.21,10 3.809,11 3.624,12 5.183,13 3.608,14 4.654,15 4.831,16 4.207,17 4.022,18 5.692,19 3.985,20 4.896,21 5.087,22 4.303,23 4.185,24 5.942,25 4.112,26 5,27 5.239,28 4.249,29 4.119,30 5.993,31 4.028,32 4.9,33 5.149,34 4.082,35 4.02,36 5.885,37 3.947,38 4.725,39 4.904,40 4.108,41 4.046,42 5.806,43 3.985,44 4.877,45 5.093,46 4.17,47 4.064,48 5.938,49 3.991,50 4.807,51 5.035,52 4.136,53 4.001,54 5.805,55 3.888,56 0.058,57 0.853,58 9.037,59 4.983,60 7.077,61 6.16,62 0.356,63 1.361,64 21.772,65 8.436,66 26.488,67 10.434,68 0.51,69 1.694,70 35.268,71 11.548,72 40.534,73 14.399,74 0.653,75 1.701,76 43.941,77 12.799,78 59.27,79 16.162,80 0.799,81 1.495,82 35.628,83 10.733,84 59.961,85 14.498,86 0.337,87 1.441,88 25.124,89 9.744,90 30.079,91 12.223,92 0.614,93 1.604,94 31.754,95 10.393,96 58.941,97 13.134,98 0.6,99 1.394,100 30.973,101 10.363,102 50.053,103 13.272,104 18,105 46,106 0.284,107 0.627,108 0.815,109 0.857,110 0.857,111 0.857,112 3.44,113 0.972,114 -5,115 -4.9,116 -4.6,117 1,118 40.7,120 2,121 1,123 2,124 3,136 5,137 1,138 5,140 1,141 1,142 1,161 4,163 1,164 8,166 1,168 2,169 5,172 1,173 8,177 3,179 3,182 1,183 3,185 1,187 1,189 2,192 3,193 3,195 1,197 1,200 6,202 1,203 4,205 1,208 6,211 7,217 5,219 1,220 5,224 1,226 1,228 1,229 6,233 2,235 1,238 1484,239 20.334,240 20.334,241 20.334,242 20.334,243 20.334,244 18.245,245 25.914,246 11.895,247 21.132,248 16.224,249 16.224,250 16.224,251 16.224,252 16.224,253 13.028,254 33.11,255 5.597,256 17.491,257 4.04,258 1.974,259 0.836,260 0.584,261 0.584,262 0.584,263 4.138,266 1,267 1,268 819,269 3,272 348.882,276 134.1,279 2.233,280 30.309,283 1,284 0.83,285 1,286 0.8,287 0.5,288 1,289 1,290 0.88,291 65.25,292 379,293 4.577,294 3.313,295 6.59,296 4.104,297 3.14,298 4.513,299 0.86,300 10.547,301 3.026,302 4.234,303 3.216,304 6.11,305 3.801,306 2.862,307 3.883,308 0.86,309 8.93,310 2.672,311 3.982,312 2.915,313 5.997,314 3.611,315 2.661,316 3.488,317 0.8,318 8.482,319 2.542,320 3.609,321 2.799,322 5.409,323 3.515,324 2.568,325 2.875,326 0.4,327 7.143,328 2.41,329 3.511,330 2.673,331 5.198,332 3.04,333 2.153,334 2.699,336 6.281,337 1.941,338 3.362,339 2.419,340 4.937,341 3.024,342 2.096,343 2.613,345 5.707,346 1.905,347 3.116,348 2.205,349 4.89,350 2.861,351 1.952,352 2.242,354 5.661,355 1.659,356 2.99,357 2.025,358 4.529,359 2.534,360 1.615,361 2.087,363 4.533,364 1.464,365 2.833,366 1.708,367 4.133,368 2.359,369 1.417,370 1.965,372 3.629,373 1.323,374 2.678,375 1.47,376 3.903,377 2.238,378 1.34,379 1.732,381 3.135,382 1.195,383 2,384 1.099,385 3.414,386 1.984,387 1,388 1,389 2.275,390 0.983,391 1.955,392 1.077,393 3.32,394 1.667,395 0.754,396 0.877,397 1.833,398 0.678,399 1.692,400 0.971,401 3.08,402 1.434,403 0.553,404 0.608,405 1.132,406 0.478,407 1.551,408 0.682,409 2.844,410 1.186,411 0.308,412 0.373,413 0.625,414 0.25,415 1.121,416 0.23,417 2.683,418 0.85,419 -0.085,420 -0.091,421 -0.18,422 -0.078,423 14.886,424 0.496,425 0.729,426 0.024,427 37.5,428 1.25,429 17.5,430 0.583,431 20,432 0.667,433 28.331,434 0.944,435 32.514,436 0.602,437 27.054,438 0.902,439 7.11,440 0.237,441 7.419,442 0.247,443 0.176,445 0.329,448 1,449 0.754,450 1.279,451 0.508,452 0.997,453 0.576,454 0.951,455 1.046,456 0.917,457 0.585,458 0.751,459 0.653,460 0.796,461 0.926,462 1.124,463 0.889,464 1.07,465 0.799,466 1.065,467 1.022,468 1.025,469 0.635,470 0.948,471 0.935,472 0.96,473 0.927,474 0.675,475 0.343,476 0.601,477 0.73,478 0.688,479 0.887,480 1.163,481 0.625,482 1.044,483 0.782,484 1.063,485 1.274,486 1.001,487 0.571,488 0.854,489 1.163,490 0.959,491 0.933,492 0.935,493 0.725,494 0.89,495 0.809,496 1.007,497 6.5,498 0.148,499 3.556,500 1.5,501 2.053,502 0.958,503 0.647,504 0.592,505 0.431,506 0.214,507 12191,508 34433,509 2.087,510 44.4,512 17,514 1,515 1,517 5,520 1.728,521 1.957,522 3.589,523 -0.316,528 92.617,529 1.715,530 3.781,531 4.919,532 5.171,533 5.171,534 5.171,535 3.095,536 4.282,537 4.873,538 3.754,539 1632.89,540 8.504,541 22764.7,546 310.764,547 1.4,548 4.839,549 0.197,550 0.007,551 0.077,552 0.031,553 0.05,554 0.023,555 0.015,556 0.015,557 0.013,558 0.008,559 0.437,560 0.33,561 0.88,562 0.715,563 154.829,564 -0.037,565 -0.203,566 0.01,567 -0.088,568 -0.007,569 -0.023,570 -0.104,571 0.085,572 0.031,573 0.134,574 0.039,575 0.121,576 0.025,577 -0.119,578 -0.05,579 -0.115,580 0.066,581 -0.107,582 0.011,583 -0.089,584 0.051,585 -0.045,586 0.034,587 0.005,588 0.12,589 0.188,590 0.104,591 0.232,592 0.093,593 0.261,594 0.017,595 -0.167,596 -0.035,597 -0.135,598 0.04,599 -0.112,600 -0.132,601 0.013,602 0.007,603 0.016,604 -0.076,605 -0.033,606 0.026,607 -0.014,608 0.033,609 0.025,610 0.012,611 -0.047,612 2.041,613 6.264,614 0.733,615 33.431,616 1.01,617 1.133,618 3.771,619 14.22,620 0.678,621 3.526,622 3.85,623 4.111,624 4.357,625 4.644,626 4.7,627 4.796,628 4.963,629 5.124,630 5.153,631 7.163,632 0.643,633 475.4,634 3.526,635 5.069,636 5.916,637 6.79,638 7.656,639 8.534,640 9.408,641 10.289,642 11.167,643 12.051,644 7.4,647 1,652 1,654 2,656 2,657 6,658 2,662 6,664 17,674 1,677 2,678 2,679 54,680 17,681 2,682 33,683 1,684 57,685 22,686 14,687 7,688 5,690 4,691 5,697 2,698 1,700 2,702 14,703 8,704 1,716 1,718 24,719 7,720 1,721 8,722 1,726 4,729 0.75,730 2,740 1,745 4,749 1,763 1,766 3,769 1,770 2,772 1,774 30,780 5,781 1,782 2,784 1,785 1,794 2,795 3.7,800 2,801 15.333,802 10.302,803 6.611,804 3.191,805 3.402,806 1.434,807 0.984,808 6.714,809 11.247,810 3.75,811 4.357,812 4.936,813 5.52,814 6.139,815 6.448,816 6.827,817 7.277,818 7.715,819 7.887,820 0.889,821 48,822 11.116,823 4.707,824 7.714,825 21.322,826 17.465,827 2.214,828 66.417,832 270.735,833 121.617,834 100.66,836 22,837 14.96,839 167.571,840 292.735,841 69.666,842 19.279,843 13.873,844 47.381,845 45.342,846 81.89,847 17.288,848 258.964,849 45.954,850 270.735,851 176.323,852 36.96,854 45.954,855 226.84,856 80.855,858 45.771,859 96.981,860 33.571,861 45.954,862 285.695,863 76.706,864 167.571,867 270.735,868 46.338,869 78.404,870 63.965,871 70.531,872 270.735,873 91.666,874 167.571,876 0.582,877 0.339,878 0.179,879 0.105,880 22,881 10,882 0.105,883 6,884 1,885 1.091,886 4.147,887 266.994,888 0.091,889 22,890 143.207,894 21.29,895 9.461,896 5.045,897 1.424,898 91.666,899 9.969,900 8.662,904 2.39,906 18.011,907 529.972,908 41.5,916 54.523,917 61.161,918 0.298,919 0.657,920 0.855,921 0.899,922 0.899,923 0.899,924 4.992,925 1.615,926 5.9,927 5.661,928 4.533,929 5.043,930 1.656,931 6.693,932 4.393,933 6.191,934 1.417,935 7.449,936 4.533,937 4.111,938 4.902,939 0.325,940 7.545,941 3.884,942 7.497,943 1.34,944 9.094,945 3.629,946 6.116,947 7.263,948 1.308,949 10.62,950 5.877,951 8.837,952 1,953 10.793,954 3.135,955 6.479,956 7.943,957 0.268,958 12.28,959 6.17,960 10.209,961 0.754,962 12.528,963 2.275,964 7.958,965 9.807,966 1.064,967 14.876,968 7.635,969 11.604,970 0.553,971 14.287,972 1.833,973 8.696,974 10.89,975 0.188,976 16.895,977 8.317,978 13.017,979 0.308,980 16.065,981 1.132,982 9.957,983 12.544,984 0.862,985 19.32,986 9.556,987 3.14,988 -0.085,989 17.857,990 0.625,991 10.883,992 13.831,993 0.125,994 21.507,995 10.435,996 2.862,997 10.547,998 19.661,999 -0.18,1000 12.051,1001 15.391,1002 0.69,1003 23.87,1004 11.577,1005 2.661,1006 8.93,1007 21.475,1008 4.513,1009 13.072,1010 16.782,1011 0.082,1012 26.137,1013 12.555,1014 2.568,1015 8.482,1016 23.296,1017 3.883,1018 14.203,1019 18.302,1020 0.544,1021 28.48,1022 13.657,1023 2.153,1024 7.143,1025 25.125,1026 3.488,1027 15.273,1028 19.745,1029 0.054,1030 30.786,1031 14.688,1032 2.096,1033 6.281,1034 26.959,1035 2.875,1036 16.392,1037 21.249,1038 0.424,1039 33.126,1040 15.776,1041 1.952,1042 5.707,1043 28.798,1044 2.699,1045 17.487,1046 22.72,1047 0.035,1048 35.451,1049 16.835,1050 11623,1051 19846,1052 22.076,1053 36.597,1054 48.972,1055 49.994,1056 50.647,1057 49.003,1058 48.839,1059 61.91,1060 5.84,1061 139.826,1062 45.051,1063 5.577,1064 5.313,1065 6.117,1066 5.183,1067 5.14,1068 7.513,1069 1.72,1070 17.498,1071 5.026,1072 14.814,1073 1.484,1074 1.515,1075 1.535,1076 1.485,1077 1.48,1078 1.876,1079 0.177,1080 4.237,1081 1.365,1082 4.081,1083 4.109,1084 6.88,1085 3.98,1086 8.201,1087 3.993,1088 3.887,1089 3.934,1090 4.05,1091 3.836,1092 5.1,1093 3.824,1094 3.868,1095 3.907,1096 3.771,1097 3.724,1098 4.764,1099 3.719,1100 3.5,1101 3.54,1102 3.741,1103 3.278,1104 4.65,1105 3.312,1106 3.344,1107 3.42,1108 3.435,1109 3.11,1110 4.483,1111 3.114,1112 3.183,1113 3.255,1114 3.183,1115 2.986,1116 4.319,1117 2.98,1118 3.111,1119 3.206,1120 3.022,1121 2.941,1122 4.12,1123 2.91,1124 3.061,1125 3.135,1126 2.882,1127 2.873,1128 4.03,1129 2.855,1130 0.139,1131 0.1,1132 0.2,1133 0.124,1134 0.095,1135 4.577,1136 0.137,1137 3.313,1138 0.026,1139 6.59,1140 0.32,1141 4.104,1142 0.092,1143 3.14,1144 4.513,1145 0.86,1146 10.547,1147 3.026,1148 2.006,1149 1.985,1150 2.076,1151 2.128,1152 1.444,1153 2.109,1154 1.861,1155 1.839,1156 2.039,1157 2.028,1158 1.181,1159 2.041,1160 1.842,1161 1.788,1162 1.91,1163 1.94,1164 1.044,1165 1.941,1166 1.397,1167 1.352,1168 1.647,1169 1.661,1170 0.843,1171 1.646,1172 1.303,1173 1.224,1174 1.592,1175 1.576,1176 0.825,1177 1.587,1178 1.153,1179 1.069,1180 1.513,1181 1.412,1182 0.587,1183 1.429,1184 1.143,1185 1.064,1186 1.425,1187 1.376,1188 0.541,1189 1.428,1190 1.005,1191 0.937,1192 1.328,1193 1.241,1194 0.398,1195 1.28,1196 4.205,1198 5.525,1200 7.045,1202 8.656,1204 10.315,1205 3.268,1206 3.754,1208 14.264,1212 5.092,1213 3.053,1214 11.67,1216 0.532,1217 2.34,1222 34.718,1223 92.617,1224 204.158,1225 265.645,1226 279.254,1227 279.254,1228 279.254,1229 53.656,1230 7.845,1231 59.51,1232 59.51,1233 24,1234 12.585,1235 4.17,1236 3.248,1237 47.065,1238 129,1239 142,1240 0.179,1241 217.091,1242 372.83,1243 521.462,1244 29174,1245 3.7,1246 21.087,1247 0.703,1248 0.619,1249 21.217,1250 18.577,1251 14.529,1252 0.44,1253 0.324,1254 9.757,1255 13.258,1256 9.456,1257 7.827,1258 14.696,1259 10.687,1260 13.109,1261 0.285,1262 0.184,1263 13.396,1264 8.465,1265 11.028,1266 0.184,1267 0.099,1268 11.162,1269 5.911,1270 8.937,1271 0.116,1272 0.051,1273 8.796,1274 3.924,1275 7.643,1276 0.074,1277 0.029,1278 7.975,1279 2.944,1280 0.283,1281 100.45,1282 0.213,1283 28.486,1284 0.489,1285 158,1286 519.505,1287 241.478,1288 505.9,1289 674.14,1290 474,1291 185,1292 462.01,1293 232.1,1294 475.659,1295 694.84,1296 444,1297 5}
{0 CHEMBL249697,1 1.437,2 7.316,3 1.761,4 3.1,5 76.664,6 7.093,7 0.714,8 3.69,9 3.839,10 3.224,11 3.19,12 4.767,13 3.172,14 4.205,15 4.411,16 3.589,17 3.567,18 5.202,19 3.531,20 4.386,21 4.615,22 3.648,23 3.681,24 5.395,25 3.624,26 4.446,27 4.695,28 3.586,29 3.681,30 5.378,31 3.609,32 4.341,33 4.568,34 3.465,35 3.618,36 5.314,37 3.534,38 4.36,39 4.611,40 3.224,41 3.548,42 5.303,43 3.415,44 4.271,45 4.552,46 2.73,47 3.342,48 5.081,49 3.119,50 4.082,51 4.442,52 2.203,53 2.933,54 4.749,55 2.65,56 0.039,57 0.587,58 7.979,59 2.761,60 7.893,61 4.178,62 0.141,63 0.905,64 14.364,65 4.628,66 14.081,67 7.141,68 0.278,69 1.037,70 17.776,71 5.514,72 24.113,73 8.461,74 0.179,75 1.047,76 19.171,77 5.597,78 21.424,79 9.019,80 0.184,81 0.966,82 16.879,83 5.178,84 20.287,85 8.103,86 0.242,87 0.914,88 17.665,89 5.385,90 25.449,91 8.387,92 0.123,93 0.74,94 16.434,95 5.646,96 19.862,97 8.709,98 0.137,99 0.509,100 14.76,101 4.658,102 20.489,103 7.463,104 13,105 30,106 0.261,107 0.653,108 0.786,109 0.86,110 0.86,111 0.86,112 3.013,113 0.913,114 -2.81,115 -2.82,116 -2.73,118 38.9,119 2,124 2,136 3,137 1,139 1,140 1,141 1,146 2,152 1,154 1,155 1,156 1,161 4,163 1,164 3,166 1,169 4,172 2,173 5,175 2,176 1,178 1,179 2,183 4,187 1,189 1,193 4,194 1,195 1,197 3,200 2,203 2,204 2,205 2,207 1,208 2,216 2,218 1,224 3,227 3,233 1,237 1,238 358,239 12.939,240 12.939,241 12.939,242 12.939,243 12.939,244 11.187,245 12.293,246 7.685,247 13.229,248 10.341,249 10.341,250 10.341,251 10.341,252 10.341,253 7.647,254 14.709,255 3.61,256 10.859,257 3.733,258 1.576,259 0.841,260 0.431,261 0.431,262 0.431,263 3.69,265 1,266 1,267 1,268 296,269 2.55,271 28.063,272 70.074,275 51.709,276 59.623,279 1.208,280 11.761,282 1,283 1,284 1,285 1,286 0.8,287 0.5,288 1,289 1,290 0.9,291 40.5,292 139,293 4.786,294 3.354,295 6.991,296 4.251,297 3.312,298 4.874,299 0.4,300 11.909,301 3.111,302 4.078,303 2.707,304 6.007,305 3.594,306 2.62,307 3.81,309 8.489,310 2.547,311 3.766,312 2.562,313 5.683,314 3.331,315 2.395,316 3.245,318 7.507,319 2.241,320 3.47,321 2.232,322 4.957,323 3.054,324 2.07,325 2.848,327 5.788,328 2.034,329 3.011,330 1.764,331 4.602,332 2.535,333 1.573,334 2.238,336 4.435,337 1.511,338 2.685,339 1.614,340 4.164,341 2.463,342 1.515,343 1.722,345 3.518,346 1.433,347 2.353,348 1.213,349 3.691,350 2.02,351 1.083,352 1.329,354 2.338,355 1.012,356 2.33,357 0.835,358 3.385,359 1.776,360 0.832,361 1.246,363 2.164,364 0.784,365 1.567,366 0.603,367 2.86,368 1.269,369 0.345,370 0.397,372 0.647,373 0.318,374 1.128,375 0.14,376 2.632,377 0.842,378 -0.11,379 -0.133,381 -0.219,382 -0.104,383 0.994,384 -0.179,385 2.344,386 0.555,387 -0.4,388 -0.522,389 -1.034,390 -0.381,391 0.575,392 -0.498,393 2.288,394 0.218,395 -0.737,396 -0.87,397 -1.65,398 -0.703,399 0.439,400 -0.809,401 2,402 0.066,403 -0.916,404 -1.245,405 -2.54,406 -0.896,407 0.13,408 -1.011,409 1.818,410 -0.204,411 -1.164,412 -1.381,413 -2.702,414 -1.116,415 -0.011,416 -1.169,417 1.478,418 -0.287,419 -1.265,420 -1.761,421 -3.54,422 -1.233,423 9,424 0.474,425 0.469,426 0.025,427 25.5,428 1.342,429 12.5,430 0.658,431 13,432 0.684,433 13.699,434 0.721,435 20.4,436 0.567,437 16.112,438 0.848,439 5.03,440 0.265,441 4.173,442 0.22,443 0.156,445 0.378,449 1.113,450 1.453,451 0.855,452 1.086,453 1.211,454 0.96,455 0.936,456 1.179,457 0.767,458 0.929,459 0.815,460 0.842,461 0.988,462 0.882,463 0.914,464 0.865,465 0.84,466 0.877,467 1.231,468 1.109,469 0.933,470 0.908,471 0.972,472 0.885,473 1.295,474 1.12,475 1.167,476 1.087,477 0.894,478 1.106,479 1.327,480 0.962,481 1.374,482 1.16,483 1.207,484 1.255,485 0.85,486 1.2,487 1.306,488 1.436,489 1.055,490 1.433,491 0.595,492 0.749,493 0.823,494 0.876,495 0.826,496 0.88,497 3.5,499 2.222,500 1.375,501 1.454,502 0.656,503 0.418,504 0.174,505 0.057,506 0.036,507 2834,508 6570,509 2.081,510 47.2,511 3,512 7,514 1,515 3,516 3,520 1.611,521 1.932,522 2.825,523 1.148,525 1,526 1,528 51.718,529 1.437,530 3.594,531 4.329,532 4.739,533 4.739,534 4.739,535 2.479,536 3.827,537 4.213,538 2.931,539 501.252,540 7.219,541 4721,542 1,543 1,545 1,546 186.117,547 1.462,548 4.171,549 0.167,551 0.074,552 0.044,553 0.05,554 0.026,555 0.023,556 0.019,557 0.011,558 0.018,559 0.433,560 0.67,561 1,562 1.315,563 79.957,564 -0.109,565 -0.209,566 0.048,567 -0.032,568 -0.217,569 0.019,570 0.126,571 -0.054,572 0.181,573 0.071,574 0.063,575 0.124,576 0.179,577 0.219,578 0.055,579 0.096,580 0.072,581 0.064,582 -0.146,583 -0.077,584 0.041,585 0.052,586 -0.075,587 0.069,588 -0.202,589 -0.031,590 -0.214,591 -0.116,592 -0.036,593 -0.158,594 -0.233,595 0.075,596 -0.411,597 -0.21,598 -0.202,599 -0.315,600 -0.11,601 -0.311,602 -0.358,603 -0.435,604 -0.137,605 -0.43,606 0.116,607 -0.049,608 0.189,609 0.085,610 0.185,611 0.137,612 0.931,613 1.645,614 0.684,615 12.554,616 0.995,617 1.138,618 1.582,619 2.504,620 0.655,621 3.091,622 3.434,623 3.761,624 4.111,625 4.394,626 4.511,627 4.625,628 4.718,629 4.635,630 4.419,631 4.312,632 0.619,633 255.36,634 3.091,635 4.635,636 5.509,637 6.418,638 7.324,639 8.245,640 9.162,641 10.086,642 11.007,643 11.933,644 13.9,645 1,649 1,652 1,654 2,656 3,657 4,658 2,662 3,664 15,674 1,679 36,680 15,681 1,682 21,684 38,685 14,686 10,687 3,688 3,690 3,691 6,694 3,702 10,703 4,715 1,718 17,719 4,720 3,721 5,724 1,726 5,729 0.333,736 1,744 1,745 2,748 1,749 1,760 1,766 1,770 2,774 19,775 1,780 2,781 1,801 9.833,802 7.017,803 4.222,804 2.124,805 3.249,806 1.477,807 1.023,808 3.03,809 10.063,810 3.384,811 4.099,812 4.83,813 5.573,814 6.223,815 6.693,816 7.17,817 7.636,818 7.911,819 8.024,820 1,821 31,822 6.979,823 2.907,824 7.579,825 13.517,826 11.008,827 2.079,828 39.5,829 0.001,832 164.795,833 73.612,834 85.765,839 73.612,840 164.795,841 85.765,842 17.65,843 37.109,844 28.429,845 65.068,846 15.664,847 7.229,848 153.024,850 164.795,851 159.377,855 164.795,858 68.952,859 38.843,860 51.582,862 164.795,863 85.765,864 73.612,867 164.795,868 18.485,869 56.413,870 18.011,871 66.468,872 164.795,873 85.765,874 73.612,876 0.577,877 0.343,878 0.202,879 0.125,880 16,881 7,882 0.079,883 3,884 2,885 1.308,886 3.051,887 147.565,888 0.308,889 13,890 80.711,894 12.24,895 4.704,896 2.02,897 2.895,898 84.479,899 8.112,900 9.093,904 3.102,906 50.908,907 324.173,908 28.5,916 35.811,917 40.983,918 0.278,919 0.695,920 0.837,921 0.917,922 0.917,923 0.917,924 4.613,925 0.832,926 5.509,927 2.338,928 4.111,929 4.783,930 0.278,931 6.382,932 4.014,933 5.863,934 0.345,935 7.101,936 2.164,937 3.761,938 4.808,940 7.405,941 3.619,942 7.209,943 -0.11,944 8.797,945 0.647,946 5.746,947 7.195,948 0.05,949 10.575,950 5.542,951 8.601,952 -0.4,953 10.556,954 -0.219,955 6.236,956 8.083,958 12.461,959 5.968,960 10.029,961 -0.737,962 12.356,963 -1.034,964 7.706,965 9.951,966 0.008,967 15.162,968 7.382,969 11.484,970 -0.916,971 14.185,972 -1.65,973 8.585,974 11.226,976 17.402,977 8.187,978 12.958,979 -1.164,980 16.035,981 -2.54,982 9.864,983 12.904,984 0.001,985 19.95,986 9.41,987 3.312,988 -1.265,989 17.902,990 -2.702,991 10.919,992 14.353,994 22.333,995 10.391,996 2.62,997 11.909,998 19.783,999 -3.54,1000 12.133,1001 15.962,1003 24.832,1004 11.545,1005 2.395,1006 8.489,1007 21.675,1008 4.874,1009 13.266,1010 17.487,1012 27.271,1013 12.606,1014 2.07,1015 7.507,1016 23.575,1017 3.81,1018 14.46,1019 19.074,1021 29.755,1022 13.738,1023 1.573,1024 5.788,1025 25.482,1026 3.245,1027 15.627,1028 20.631,1030 32.216,1031 14.836,1032 1.515,1033 4.435,1034 27.395,1035 2.848,1036 16.818,1037 22.212,1039 34.695,1040 15.963,1041 1.083,1042 3.518,1043 29.314,1044 2.238,1045 18.001,1046 23.783,1048 37.166,1049 17.078,1050 2858,1051 4446,1052 13.929,1053 23.597,1054 31.666,1055 31.612,1056 33.252,1057 31.444,1058 31.49,1059 43.418,1060 0.8,1061 93.594,1062 29.981,1063 5.579,1064 5.354,1065 6.852,1066 5.323,1067 5.312,1068 7.874,1069 0.8,1070 19.444,1071 5.111,1072 9.047,1073 1.508,1074 1.505,1075 1.583,1076 1.497,1077 1.5,1078 2.068,1079 0.038,1080 4.457,1081 1.428,1082 4.201,1083 4.246,1084 4.181,1085 4.062,1086 5.134,1087 4.085,1088 3.743,1089 3.786,1090 3.677,1091 3.636,1092 5.003,1093 3.643,1094 3.594,1095 3.686,1096 3.448,1097 3.372,1098 4.658,1099 3.377,1100 3.312,1101 3.391,1102 3.185,1103 3.144,1104 4.363,1105 3.142,1106 3.082,1107 3.177,1108 2.904,1109 2.901,1110 3.95,1111 2.888,1112 2.94,1113 3.059,1114 2.77,1115 2.749,1116 3.817,1117 2.747,1118 2.841,1119 2.921,1120 2.645,1121 2.583,1122 3.703,1123 2.581,1124 2.671,1125 2.794,1126 2.411,1127 2.359,1128 3.539,1129 2.354,1130 0.228,1131 0.16,1132 0.333,1133 0.202,1134 0.158,1135 4.786,1136 0.232,1137 3.354,1138 0.019,1139 6.991,1140 0.567,1141 4.251,1142 0.148,1143 3.312,1144 4.874,1145 0.4,1146 11.909,1147 3.111,1148 2.052,1149 2.019,1150 2.116,1151 2.186,1152 1.266,1153 2.164,1154 1.616,1155 1.555,1156 1.837,1157 1.839,1158 1.033,1159 1.846,1160 1.551,1161 1.489,1162 1.771,1163 1.727,1164 0.884,1165 1.745,1166 1.425,1167 1.353,1168 1.626,1169 1.645,1170 0.696,1171 1.645,1172 1.13,1173 1.056,1174 1.403,1175 1.347,1176 0.463,1177 1.378,1178 0.907,1179 0.822,1180 1.208,1181 1.249,1182 0.259,1183 1.24,1184 0.836,1185 0.717,1186 1.191,1187 1.131,1188 0.162,1189 1.166,1190 0.662,1191 0.537,1192 1.027,1193 0.956,1194 0.083,1195 0.985,1196 3.761,1198 5.094,1199 2.398,1200 6.637,1201 4.727,1202 8.293,1203 6.843,1204 10.014,1206 4.132,1210 5.541,1212 1.255,1213 3.238,1222 22.268,1223 51.718,1224 129.388,1225 155.853,1226 170.608,1227 170.608,1228 170.608,1229 20.527,1230 6.815,1231 68.24,1232 68.24,1233 17,1234 12.439,1235 4,1236 3.087,1237 27.561,1238 50,1239 59,1240 0.298,1241 139.29,1242 220.14,1243 331.628,1244 6817,1246 13.405,1247 0.706,1248 0.586,1249 13.405,1250 11.143,1251 9.203,1252 0.438,1253 0.304,1254 6.301,1255 8.874,1256 6.083,1257 5.102,1258 9.203,1259 6.388,1260 8.276,1261 0.276,1262 0.158,1263 8.276,1264 4.727,1265 7.051,1266 0.168,1267 0.076,1268 7.051,1269 3.191,1270 6.165,1271 0.103,1272 0.038,1273 6.165,1274 2.295,1275 5.355,1276 0.067,1277 0.02,1278 5.355,1279 1.629,1280 0.438,1281 57.386,1282 0.268,1283 18.391,1284 0.913,1285 102,1286 256.58,1287 111.381,1288 256.171,1289 367.36,1290 242,1291 123,1292 289.62,1293 133.685,1294 294.743,1295 437,1296 278,1297 5}
{0 CHEMBL255863,1 1.716,2 14.769,3 5.084,4 25.849,5 140.252,6 8.681,7 0.674,8 4.236,9 4.35,10 3.921,11 3.781,12 5.478,13 3.8,14 4.739,15 4.893,16 4.349,17 4.15,18 6.333,19 4.161,20 4.908,21 5.077,22 4.326,23 4.265,24 6.178,25 4.25,26 5.037,27 5.246,28 4.309,29 4.247,30 6.287,31 4.228,32 5.006,33 5.216,34 4.393,35 4.231,36 6.329,37 4.226,38 4.99,39 5.176,40 4.366,41 4.232,42 6.37,43 4.24,44 5.048,45 5.25,46 4.376,47 4.214,48 6.634,49 4.208,50 4.881,51 5.068,52 4.22,53 4.165,54 6.205,55 4.141,56 0.17,57 1.169,58 8.678,59 4.973,60 20.21,61 5.501,62 0.955,63 2.17,64 18.501,65 8.284,66 141.288,67 9.406,68 0.491,69 2.047,70 21.562,71 9.741,72 36.543,73 11.338,74 0.855,75 2.22,76 30.557,77 11.422,78 98.132,79 13.327,80 1.003,81 2.211,82 29.88,83 10.502,84 81.361,85 13.362,86 0.867,87 2.306,88 26.91,89 10.516,90 89.115,91 11.17,92 1.472,93 2.324,94 32.789,95 11.889,96 229.403,97 13.493,98 0.573,99 1.98,100 23.789,101 10.394,102 53.249,103 12.151,104 38,105 62,106 0.271,107 0.601,108 0.777,109 0.884,110 0.9,111 0.9,112 3.693,113 0.824,114 -4.91,115 -4.82,116 -4.52,118 45.9,119 2,129 1,136 9,137 4,138 3,139 3,140 2,144 1,145 1,149 1,151 1,161 9,163 2,164 9,166 3,168 5,169 10,173 6,177 6,179 6,182 1,183 13,185 1,187 5,189 4,193 10,195 1,196 1,197 2,200 7,202 2,203 7,205 2,207 2,208 10,210 2,211 2,214 2,216 3,217 14,219 1,220 4,224 1,226 11,229 13,231 1,233 3,235 7,238 3094,239 25.814,240 25.814,241 25.814,242 25.814,243 25.814,244 22.293,245 30.805,246 15.035,247 26.516,248 21.272,249 21.272,250 21.272,251 21.272,252 21.272,253 15.941,254 46.278,255 7.232,256 22.486,257 4.215,258 2.125,259 1.009,260 0.332,261 0.234,262 0.234,263 4.393,267 1,268 1254,269 4.062,271 114.279,272 548.768,279 2.26,280 57.195,283 0.75,284 0.83,285 0.83,286 0.5,288 0.83,289 1,290 0.68,291 87,292 576,293 4.516,294 4.461,295 7.125,296 4.212,297 3.338,298 4.104,299 3.825,300 11.744,301 2.993,302 4.341,303 3.578,304 6.23,305 3.965,306 2.986,307 3.987,308 1.058,309 9.365,310 2.921,311 4.247,312 3.065,313 6.194,314 3.853,315 2.904,316 3.889,317 0.4,318 9.271,319 2.802,320 4.213,321 3.035,322 6.156,323 3.814,324 2.867,325 3.686,327 9.107,328 2.624,329 3.94,330 2.856,331 5.884,332 3.599,333 2.624,334 3.318,336 8.158,337 2.555,338 3.765,339 2.59,340 5.369,341 3.341,342 2.389,343 3.207,345 7.021,346 2.252,347 3.687,348 2.418,349 5.267,350 3.229,351 2.28,352 3.079,354 6.633,355 2.147,356 3.38,357 2.249,358 4.994,359 3,360 2.039,361 2.664,363 5.878,364 1.957,365 3.207,366 1.888,367 4.546,368 2.733,369 1.775,370 2.493,372 4.537,373 1.698,374 2.882,375 1.829,376 4.413,377 2.451,378 1.521,379 2.009,381 4.415,382 1.398,383 2.854,384 1.804,385 4.165,386 2.412,387 1.441,388 1.972,389 3.71,390 1.387,391 2.715,392 1.54,393 4.08,394 2.225,395 1.24,396 1.806,397 3.324,398 1.209,399 2.709,400 1.262,401 3.993,402 2.206,403 1.212,404 1.72,405 3.127,406 1.196,407 2.566,408 1.23,409 3.541,410 2.074,411 1.119,412 1.592,413 2.791,414 1.062,415 2.5,416 1,417 3.429,418 1.961,419 1,420 1.5,421 2.387,422 0.958,423 17.99,424 0.461,425 1.192,426 0.031,427 56.75,428 1.455,429 30.5,430 0.782,431 26.25,432 0.673,433 30.899,434 0.792,435 40.81,436 0.669,437 50.805,438 1.303,439 11.496,440 0.295,441 7.156,442 0.183,443 0.122,444 0.028,445 0.328,447 3,449 0.624,450 1.087,451 0.632,452 1.01,453 0.588,454 0.869,455 0.46,456 0.785,457 0.665,458 0.88,459 0.388,460 0.848,461 0.76,462 1.049,463 0.956,464 1.154,465 0.62,466 1.121,467 1.06,468 1.016,469 1.05,470 1.021,471 1.025,472 1.022,473 0.706,474 0.779,475 0.767,476 0.854,477 0.79,478 0.838,479 1.259,480 1.119,481 1.112,482 1.034,483 1.253,484 1.017,485 1.072,486 0.938,487 1,488 0.903,489 1.176,490 0.93,491 0.878,492 1.073,493 0.946,494 1.157,495 0.837,496 1.102,497 10,498 0.33,499 4.444,500 2.535,501 2.388,502 1.514,503 1.2,504 0.895,505 0.468,506 0.398,507 25702,508 83160,509 2.073,510 36.1,511 3,512 9,513 1,514 4,515 2,516 3,520 1.794,521 1.926,522 3.82,523 0.187,528 104.655,529 1.716,530 3.806,531 4.922,532 5.599,533 5.697,534 5.697,535 3.234,536 4.888,537 5.259,538 4.011,539 2972.38,540 9.274,541 51240.4,546 361.775,547 1.568,548 5.205,549 0.233,550 0.008,551 0.072,552 0.042,553 0.041,554 0.024,555 0.02,556 0.015,557 0.009,558 0.008,559 0.471,560 0.17,561 0.75,562 0.686,563 219.503,564 -0.056,565 -0.147,566 0.029,567 -0.055,568 -0.102,569 -0.001,570 0.39,571 0.249,572 0.144,573 0.076,574 0.408,575 0.039,576 -0.096,577 -0.186,578 -0.141,579 -0.208,580 -0.017,581 -0.191,582 -0.136,583 -0.088,584 -0.079,585 -0.057,586 -0.117,587 -0.047,588 0.158,589 0.088,590 0.199,591 0.091,592 0.048,593 0.133,594 -0.171,595 -0.056,596 -0.175,597 -0.078,598 -0.154,599 -0.107,600 0.178,601 0.118,602 0.042,603 0.097,604 0.187,605 0.041,606 -0.045,607 -0.177,608 -0.032,609 -0.162,610 0.021,611 -0.111,612 5.851,613 6.105,614 0.744,615 46.154,616 1.025,617 1.139,618 3.679,619 13.535,620 0.691,621 3.784,622 4.143,623 4.369,624 4.615,625 4.868,626 4.927,627 5.088,628 5.176,629 5.273,630 5.323,631 8.641,632 0.685,633 529.57,634 3.784,635 5.352,636 6.196,637 7.083,638 7.946,639 8.831,640 9.701,641 10.586,642 11.46,643 12.344,644 11.5,651 1,652 2,654 4,657 14,658 4,662 10,663 1,664 29,670 1,674 1,679 61,680 30,681 2,682 43,684 65,685 28,686 24,687 6,688 6,689 1,690 5,691 5,694 3,699 1,702 25,703 3,706 1,709 1,712 1,716 3,718 22,719 10,720 2,721 11,724 1,726 7,729 1,730 1,739 1,740 1,744 1,745 4,766 5,770 2,772 3,774 39,781 2,786 1,794 3,795 1.6,798 1,801 20.25,802 11.762,803 8.278,804 3.41,805 5.103,806 1.603,807 1.019,808 7.146,809 13.567,810 4.086,811 4.721,812 5.288,813 5.865,814 6.4,815 6.641,816 7.065,817 7.408,818 7.777,819 8.076,820 0.9,821 61,822 14.942,823 6.945,824 8.105,825 26.449,826 21.427,827 2.605,828 101.583,832 235.422,833 188.634,834 105.063,836 25.145,837 44.88,839 188.634,840 260.567,841 149.943,842 17.65,843 18.011,844 94.334,845 152.695,846 118.458,847 13.67,848 176.567,849 7.76,850 235.422,851 293.697,852 70.025,855 235.422,856 70.025,858 106.504,859 120.051,860 67.142,862 280.302,863 130.208,864 188.634,867 243.182,868 33.13,869 149.644,870 36.022,871 137.167,872 235.422,873 175.088,874 188.634,876 0.594,877 0.333,878 0.172,879 0.1,880 30,881 14,882 0.092,883 6,885 1,886 4.832,887 388.098,889 29,890 201.376,894 26.09,895 10.683,896 6.14,898 173.189,899 21.707,900 16.954,904 3.407,905 1.466,906 36.022,907 599.144,908 58.5,911 13.105,914 -0.574,916 62.53,917 69.453,918 0.289,919 0.642,920 0.83,921 0.944,922 0.961,923 0.961,924 5.334,925 2.039,926 6.217,927 6.633,928 4.828,929 5.409,930 3.153,931 7.043,932 4.725,933 6.571,934 1.775,935 7.793,936 5.878,937 4.575,938 5.223,939 3.903,940 8.089,941 4.358,942 7.891,943 1.521,944 9.473,945 4.537,946 6.482,947 7.607,948 5.432,949 11.104,950 6.263,951 9.244,952 1.441,953 11.215,954 4.415,955 7.004,956 8.172,957 6.69,958 12.95,959 6.662,960 10.624,961 1.24,962 12.998,963 3.71,964 8.431,965 10.051,966 8.059,967 15.535,968 8.072,969 12.024,970 1.212,971 14.809,972 3.324,973 9.295,974 10.98,975 9.388,976 17.711,977 8.817,978 13.438,979 1.119,980 16.642,981 3.127,982 10.543,983 12.624,984 10.734,985 20.169,986 10.025,987 3.338,988 1,989 18.493,990 2.791,991 11.563,992 13.75,993 12.074,994 22.49,995 10.934,996 2.986,997 11.744,998 20.357,999 2.387,1000 12.745,1001 15.272,1002 13.416,1003 24.919,1004 12.055,1005 2.904,1006 9.365,1007 22.234,1008 4.104,1009 13.84,1010 16.509,1011 14.758,1012 27.306,1013 13.045,1014 2.867,1015 9.271,1016 24.12,1017 3.987,1018 15.004,1019 17.967,1020 16.1,1021 29.737,1022 14.131,1023 2.624,1024 9.107,1025 26.016,1026 3.889,1027 16.136,1028 19.266,1029 17.441,1030 32.158,1031 15.159,1032 2.389,1033 8.158,1034 27.92,1035 3.686,1036 17.298,1037 20.691,1038 18.783,1039 34.597,1040 16.232,1041 2.28,1042 7.021,1043 29.83,1044 3.318,1045 18.452,1046 22.027,1047 20.124,1048 37.035,1049 17.281,1050 24093,1051 43633,1052 28.433,1053 42.159,1054 66.416,1055 66.191,1056 65.954,1057 65.455,1058 65.288,1059 87.634,1060 10.567,1061 191.684,1062 61.873,1063 5.361,1064 6.461,1065 6.927,1066 5.283,1067 5.338,1068 7.104,1069 5.335,1070 18.855,1071 4.993,1072 20.985,1073 1.545,1074 1.539,1075 1.534,1076 1.522,1077 1.518,1078 2.038,1079 0.246,1080 4.458,1081 1.439,1082 4.066,1083 4.107,1084 4.029,1085 3.952,1086 8.513,1087 3.964,1088 3.979,1089 4.02,1090 3.94,1091 3.873,1092 7.999,1093 3.882,1094 3.906,1095 3.938,1096 3.859,1097 3.821,1098 7.999,1099 3.827,1100 3.78,1101 3.826,1102 3.74,1103 3.625,1104 7.429,1105 3.645,1106 3.669,1107 3.725,1108 3.615,1109 3.506,1110 5.05,1111 3.526,1112 3.428,1113 3.47,1114 3.407,1115 3.209,1116 4.963,1117 3.237,1118 3.271,1119 3.321,1120 3.234,1121 3.016,1122 4.84,1123 3.055,1124 3.09,1125 3.186,1126 2.959,1127 2.895,1128 4.687,1129 2.897,1130 0.105,1131 0.104,1132 0.166,1133 0.098,1134 0.078,1135 4.516,1136 0.095,1137 4.461,1138 0.089,1139 7.125,1140 0.273,1141 4.212,1142 0.07,1143 3.338,1144 4.104,1145 3.825,1146 11.744,1147 2.993,1148 1.959,1149 1.933,1150 2.045,1151 2.075,1152 1.17,1153 2.064,1154 1.915,1155 1.886,1156 1.996,1157 2.039,1158 1.134,1159 2.026,1160 1.88,1161 1.85,1162 1.976,1163 1.98,1164 1.027,1165 1.982,1166 1.609,1167 1.558,1168 1.753,1169 1.796,1170 0.829,1171 1.78,1172 1.535,1173 1.479,1174 1.729,1175 1.714,1176 0.692,1177 1.727,1178 1.357,1179 1.3,1180 1.566,1181 1.619,1182 0.634,1183 1.588,1184 1.305,1185 1.253,1186 1.466,1187 1.566,1188 0.521,1189 1.527,1190 1.092,1191 1.033,1192 1.272,1193 1.374,1194 0.305,1195 1.359,1196 4.466,1198 5.814,1199 2.398,1200 7.339,1201 4.595,1202 8.94,1203 6.555,1204 10.582,1206 3.581,1208 40.827,1213 5.712,1218 -4.601,1222 41.756,1223 104.655,1224 232.168,1225 300.226,1226 341.51,1227 347.51,1228 347.51,1229 85.784,1230 8.465,1231 97.62,1232 97.62,1233 29,1234 12.879,1235 4.954,1236 4.044,1237 61.503,1238 204,1239 206,1240 0.144,1241 253.629,1242 441.06,1243 610.615,1244 68091,1245 4.9,1246 27.57,1247 0.707,1248 0.535,1249 25.07,1250 20.861,1251 18.652,1252 0.434,1253 0.275,1254 11.601,1255 17.793,1256 11.329,1257 9.408,1258 17.441,1259 11.813,1260 18.024,1261 0.291,1262 0.142,1263 16.067,1264 8.805,1265 14.157,1266 0.181,1267 0.075,1268 13.168,1269 5.872,1270 11.472,1271 0.115,1272 0.039,1273 11.083,1274 3.874,1275 9.646,1276 0.075,1277 0.02,1278 8.933,1279 2.634,1280 0.229,1281 117.947,1282 0.188,1283 35.356,1284 0.383,1285 210,1286 808.96,1287 242.858,1288 710.72,1289 948.68,1290 660,1291 245,1292 687.524,1293 271.652,1294 681.67,1295 1009.01,1296 638,1297 5}
{0 CHEMBL259084,1 1.805,2 12.382,3 6.167,4 38.036,5 123.999,6 9.732,7 0.632,8 4.038,9 4.122,10 3.816,11 3.667,12 5.347,13 3.681,14 4.508,15 4.617,16 4.228,17 4.057,18 5.92,19 4.061,20 4.792,21 4.932,22 4.383,23 4.222,24 6.131,25 4.224,26 4.87,27 5.039,28 4.381,29 4.18,30 6.355,31 4.184,32 4.817,33 4.98,34 4.353,35 4.193,36 6.118,37 4.187,38 4.846,39 5.019,40 4.384,41 4.181,42 6.209,43 4.165,44 4.792,45 4.977,46 4.335,47 4.091,48 6.219,49 4.054,50 4.613,51 4.797,52 4.07,53 3.902,54 6.046,55 3.858,56 0.191,57 0.819,58 4.764,59 3.856,60 24.096,61 3.682,62 0.415,63 1.332,64 8.932,65 6.355,66 53.058,67 6.425,68 0.585,69 1.774,70 17.729,71 8.989,72 73.495,73 8.972,74 1.019,75 2.073,76 21.224,77 9.337,78 133.233,79 9.046,80 0.701,81 1.794,82 18.749,83 9.09,84 97.64,85 9.039,86 0.853,87 1.966,88 20.823,89 9.764,90 104.276,91 9.633,92 0.951,93 1.667,94 27.385,95 10.125,96 113.46,97 10.879,98 0.83,99 1.414,100 22.3,101 8.175,102 96.873,103 9.093,104 27,105 55,106 0.297,107 0.632,108 0.764,109 0.856,110 0.865,111 0.865,112 3.561,113 0.832,114 -5.59,115 -5.46,116 -5.09,118 51,124 1,136 10,137 5,138 4,139 1,140 1,144 1,148 1,149 1,158 1,160 1,161 10,162 1,163 1,164 7,166 3,168 3,169 15,170 2,173 6,177 4,179 11,180 2,182 2,183 12,187 5,189 7,193 10,197 2,198 1,200 7,203 6,205 2,206 1,207 2,208 11,211 2,212 2,216 1,217 14,219 2,220 6,222 2,224 1,226 12,229 3,233 2,235 8,236 2,238 2032,239 22.878,240 22.878,241 22.878,242 22.878,243 22.878,244 19.557,245 25.112,246 13.193,247 23.346,248 18.738,249 18.738,250 18.738,251 18.738,252 18.738,253 13.783,254 35.76,255 6.247,256 19.613,257 3.81,258 1.781,259 0.979,260 0.424,261 0.367,262 0.367,263 4.268,264 1,267 1,268 921,269 3.162,272 329.203,273 77.306,277 253.799,279 1.934,280 55.089,283 0.75,284 0.83,285 1,286 0.4,288 1,289 1,290 0.71,291 75.333,292 421,293 4.647,294 3.576,295 6.978,296 4.274,297 3.296,298 4.341,299 1.437,300 11.854,301 3.224,302 4.372,303 3.498,304 6.595,305 3.967,306 3.002,307 4.046,308 0.795,309 10.436,310 2.892,311 4.174,312 3.203,313 5.962,314 3.788,315 2.797,316 3.769,317 0.4,318 8.375,319 2.77,320 4.032,321 2.936,322 5.929,323 3.589,324 2.637,325 3.635,327 8.223,328 2.503,329 3.754,330 2.779,331 5.516,332 3.394,333 2.433,334 3.106,336 7.402,337 2.334,338 3.574,339 2.6,340 5.204,341 3.075,342 2.159,343 2.925,345 6.067,346 1.982,347 3.423,348 2.592,349 4.985,350 2.96,351 2.012,352 2.74,354 5.881,355 1.894,356 3.329,357 2.342,358 4.968,359 2.925,360 1.988,361 2.585,363 5.772,364 1.765,365 3.232,366 2.23,367 4.841,368 2.787,369 1.879,370 2.481,372 5.104,373 1.678,374 2.81,375 1.817,376 4.262,377 2.347,378 1.355,379 1.948,381 3.529,382 1.341,383 2.76,384 1.379,385 3.904,386 2.245,387 1.247,388 1.762,389 2.955,390 1.224,391 2.605,392 1.288,393 3.779,394 2.058,395 1.104,396 1.633,397 2.874,398 1.046,399 2.578,400 1.166,401 3.724,402 2.028,403 1.084,404 1.567,405 2.665,406 1.011,407 2.5,408 1,409 3.414,410 2,411 1,412 1.5,413 2.275,414 1,415 1.744,416 0.973,417 3.208,418 1.47,419 0.538,420 0.623,421 1.345,422 0.494,423 16.052,424 0.472,425 0.942,426 0.028,427 49.75,428 1.463,429 27.5,430 0.809,431 22.25,432 0.654,433 26.121,434 0.768,435 34.348,436 0.701,437 42.534,438 1.251,439 10.152,440 0.299,441 6.25,442 0.184,443 0.122,445 0.405,448 2,449 0.648,450 0.908,451 0.538,452 0.79,453 0.614,454 0.726,455 0.571,456 0.913,457 0.627,458 0.879,459 0.522,460 0.862,461 0.921,462 1.168,463 0.923,464 1.059,465 0.839,466 0.995,467 0.955,468 0.944,469 0.902,470 0.896,471 0.886,472 0.943,473 0.953,474 1.075,475 0.837,476 0.918,477 0.899,478 0.938,479 1.131,480 1.213,481 1.032,482 0.978,483 1.105,484 1.019,485 0.868,486 0.99,487 1.131,488 1.052,489 0.822,490 1.027,491 0.815,492 0.892,493 1.255,494 1.079,495 0.85,496 1.124,497 7,498 0.273,499 4.222,500 2.813,501 2.367,502 1.295,503 1.246,504 0.642,505 0.359,506 0.233,507 16087,508 58975,509 2.109,510 30.6,512 12,514 1,515 2,520 1.763,521 1.962,522 3.522,523 0.206,528 88.421,529 1.805,530 3.834,531 4.636,532 5.191,533 5.247,534 5.247,535 3.069,536 4.536,537 5.053,538 3.736,539 2095.78,540 8.88,541 30760.9,546 275.121,547 1.449,548 5.014,549 0.184,550 0.01,551 0.077,552 0.045,553 0.039,554 0.022,555 0.022,556 0.013,557 0.009,558 0.008,559 0.43,560 0.17,561 0.63,562 0.706,563 179.981,564 -0.07,565 -0.037,566 -0.005,567 0.044,568 -0.081,569 0.049,570 0.073,571 -0.007,572 0.008,573 -0.023,574 0.078,575 -0.043,576 -0.119,577 -0.196,578 -0.096,579 -0.142,580 -0.069,581 -0.097,582 0.007,583 0.097,584 -0.058,585 0.022,586 0.047,587 -0.028,588 -0.127,589 -0.11,590 -0.015,591 0.004,592 -0.107,593 -0.003,594 -0.105,595 -0.05,596 -0.048,597 -0.002,598 -0.127,599 -0.064,600 0.095,601 -0.002,602 0.114,603 -0.014,604 0.08,605 0.034,606 0.145,607 0.096,608 -0.073,609 -0.063,610 0.048,611 -0.088,612 2.69,613 6.647,614 0.794,615 37.311,616 1.033,617 1.121,618 4.358,619 18.992,620 0.735,621 3.664,622 4.025,623 4.331,624 4.635,625 4.934,626 5.1,627 5.283,628 5.468,629 5.628,630 5.79,631 7.157,632 0.731,633 476.89,634 3.664,635 5.231,636 6.103,637 7.002,638 7.892,639 8.798,640 9.697,641 10.606,642 11.51,643 12.421,644 8.2,652 1,653 1,654 2,657 11,658 2,662 11,664 24,666 1,672 1,674 1,678 3,679 49,680 26,681 3,682 38,684 53,685 25,686 22,687 8,688 10,689 2,690 5,691 8,692 1,702 24,703 1,706 2,709 1,711 1,712 2,716 2,718 15,719 8,720 2,721 9,722 1,726 4,729 0.6,730 2,740 1,745 4,746 1,750 2,764 1,766 3,771 1,772 2,774 34,779 1,780 1,781 1,794 3,795 4.1,797 1,798 1,801 17.333,802 9.062,803 7.306,804 2.788,805 4.626,806 1.539,807 1.023,808 5.724,809 13.208,810 3.97,811 4.625,812 5.239,813 5.854,814 6.456,815 6.788,816 7.244,817 7.716,818 8.176,819 8.639,820 1,821 63,822 12.643,823 5.702,824 8.141,825 23.015,826 19.144,827 2.641,828 89.778,832 153.024,833 154.665,834 68.367,835 39.149,836 67.828,837 29.92,839 154.665,840 260.001,841 98.288,843 2.106,844 94.762,845 116.837,846 87.028,847 31.819,848 141.253,849 39.149,850 153.024,851 223.033,852 97.748,853 39.149,855 182.945,856 67.828,858 50.605,859 138.856,860 72.72,862 182.945,863 136.196,864 193.814,867 153.024,868 50.855,869 103.81,870 18.011,871 187.254,872 153.024,873 166.116,874 193.814,876 0.592,877 0.349,878 0.191,879 0.109,880 28,881 13,882 0.075,883 4,884 2,885 1.148,886 4.306,887 341.506,888 0.148,889 27,890 162.974,894 21.998,895 8.847,896 4.261,898 166.116,899 16.41,900 8.955,904 1.983,906 60.694,907 512.954,908 52,911 11.063,913 4.501,914 -0.88,916 50.596,917 54.942,918 0.321,919 0.683,920 0.826,921 0.925,922 0.935,923 0.935,924 5.22,925 1.988,926 6.107,927 5.881,928 4.71,929 5.313,930 1.904,931 6.956,932 4.624,933 6.458,934 1.879,935 7.69,936 5.772,937 4.369,938 5.156,940 7.932,941 4.221,942 7.784,943 1.355,944 9.373,945 5.104,946 6.34,947 7.544,948 2.339,949 11.06,950 6.196,951 9.144,952 1.247,953 11.113,954 3.529,955 6.792,956 8.163,958 12.879,959 6.607,960 10.531,961 1.104,962 12.893,963 2.955,964 8.254,965 10.038,966 2.95,967 15.545,968 8.066,969 11.94,970 1.084,971 14.7,972 2.874,973 9.075,974 11.036,976 17.725,977 8.858,978 13.366,979 1,980 16.527,981 2.665,982 10.339,983 12.684,984 3.627,985 20.24,986 10.111,987 3.296,988 0.538,989 18.372,990 2.275,991 11.338,992 13.884,994 22.576,995 11.087,996 3.002,997 11.854,998 20.23,999 1.345,1000 12.527,1001 15.421,1002 4.332,1003 25.043,1004 12.26,1005 2.797,1006 10.436,1007 22.099,1008 4.341,1009 13.611,1010 16.731,1012 27.446,1013 13.322,1014 2.637,1015 8.375,1016 23.977,1017 4.046,1018 14.776,1019 18.215,1020 5.048,1021 29.901,1022 14.469,1023 2.433,1024 8.223,1025 25.863,1026 3.769,1027 15.902,1028 19.585,1030 32.334,1031 15.574,1032 2.159,1033 7.402,1034 27.756,1035 3.635,1036 17.063,1037 21.046,1038 5.769,1039 34.789,1040 16.715,1041 2.012,1042 6.067,1043 29.654,1044 3.106,1045 18.21,1046 22.449,1048 37.236,1049 17.841,1050 15175,1051 29191,1052 25.372,1053 35.995,1054 58.124,1055 59.491,1056 59.757,1057 57.645,1058 57.351,1059 77.67,1060 5.263,1061 170.248,1062 54.576,1063 5.451,1064 5.576,1065 6.523,1066 5.346,1067 5.296,1068 7.341,1069 2.873,1070 19.521,1071 5.224,1072 17.759,1073 1.53,1074 1.566,1075 1.573,1076 1.517,1077 1.509,1078 2.044,1079 0.139,1080 4.48,1081 1.436,1082 4.08,1083 4.108,1084 4.095,1085 4.006,1086 8.21,1087 4.012,1088 3.928,1089 3.954,1090 3.891,1091 3.852,1092 8.191,1093 3.854,1094 3.866,1095 3.89,1096 3.868,1097 3.789,1098 7.475,1099 3.794,1100 3.703,1101 3.738,1102 3.767,1103 3.593,1104 6.351,1105 3.601,1106 3.376,1107 3.428,1108 3.386,1109 3.174,1110 5.051,1111 3.2,1112 3.263,1113 3.276,1114 3.243,1115 3.052,1116 4.889,1117 3.086,1118 2.988,1119 3.035,1120 3.156,1121 2.825,1122 4.689,1123 2.822,1124 2.937,1125 2.985,1126 2.913,1127 2.796,1128 4.608,1129 2.807,1130 0.122,1131 0.094,1132 0.184,1133 0.112,1134 0.087,1135 4.647,1136 0.114,1137 3.576,1138 0.038,1139 6.978,1140 0.312,1141 4.274,1142 0.085,1143 3.296,1144 4.341,1145 1.437,1146 11.854,1147 3.224,1148 1.969,1149 1.953,1150 2.023,1151 2.054,1152 1.18,1153 2.046,1154 1.91,1155 1.886,1156 2,1157 2.018,1158 1.091,1159 2.011,1160 1.856,1161 1.833,1162 1.937,1163 1.954,1164 1.059,1165 1.951,1166 1.699,1167 1.663,1168 1.8,1169 1.829,1170 0.927,1171 1.828,1172 1.284,1173 1.234,1174 1.423,1175 1.527,1176 0.459,1177 1.498,1178 1.146,1179 1.133,1180 1.253,1181 1.4,1182 0.323,1183 1.348,1184 0.931,1185 0.886,1186 1.181,1187 1.157,1188 0.225,1189 1.152,1190 0.886,1191 0.829,1192 1.148,1193 1.074,1194 0.218,1195 1.107,1196 4.344,1198 5.694,1200 7.238,1201 2.708,1202 8.872,1203 5.38,1204 10.554,1207 6.234,1208 29.294,1211 9.063,1212 0.109,1213 3.045,1222 35.797,1223 88.421,1224 187.848,1225 227.147,1226 254.366,1227 257.121,1228 257.121,1229 77.827,1230 8.582,1231 87.47,1232 87.47,1233 31,1234 12.937,1235 4.755,1236 3.907,1237 49.916,1238 144,1239 172,1240 0.17,1241 218.527,1242 387.63,1243 524.967,1244 68153,1245 6.1,1246 23.819,1247 0.701,1248 0.534,1249 22.579,1250 18.145,1251 16.402,1252 0.432,1253 0.277,1254 10.043,1255 15.476,1256 9.855,1257 8.084,1258 15.869,1259 10.537,1260 15.313,1261 0.278,1262 0.145,1263 14.657,1264 7.963,1265 12.973,1266 0.173,1267 0.074,1268 12.363,1269 5.587,1270 11.14,1271 0.109,1272 0.038,1273 10.478,1274 3.919,1275 9.422,1276 0.068,1277 0.021,1278 9.236,1279 2.837,1280 0.264,1281 106.198,1282 0.199,1283 31.06,1284 0.474,1285 186,1286 697.579,1287 221.325,1288 657.844,1289 870.54,1290 610,1291 223,1292 605.844,1293 251.391,1294 613.703,1295 905.2,1296 578,1297 5}
{0 CHEMBL261849,1 1.588,2 12.778,3 3.127,4 9.779,5 106.122,6 7.479,7 0.621,8 3.994,9 4.11,10 3.552,11 3.474,12 5.177,13 3.477,14 4.473,15 4.635,16 3.859,17 3.811,18 5.61,19 3.797,20 4.61,21 4.764,22 3.924,23 3.939,24 5.724,25 3.903,26 4.754,27 4.963,28 3.786,29 3.943,30 5.791,31 3.858,32 4.764,33 5.007,34 3.693,35 3.901,36 5.695,37 3.8,38 4.633,39 4.857,40 3.695,41 3.83,42 5.638,43 3.746,44 4.618,45 4.854,46 3.676,47 3.765,48 5.626,49 3.681,50 4.53,51 4.751,52 3.531,53 3.647,54 5.563,55 3.56,56 0.069,57 0.705,58 10.086,59 4.218,60 12.468,61 5.389,62 0.345,63 1.035,64 18.562,65 7.05,66 31.217,67 8.841,68 0.307,69 1.2,70 20.517,71 7.862,72 27.304,73 10.287,74 0.384,75 1.288,76 25.704,77 9.14,78 45.5,79 12.349,80 0.426,81 1.239,82 27.512,83 9.309,84 43.763,85 12.999,86 0.384,87 1.141,88 23.149,89 8.032,90 36.626,91 11.286,92 0.387,93 1.072,94 23.357,95 8.165,96 37.643,97 11.531,98 0.442,99 0.961,100 21.488,101 7.238,102 39.423,103 9.947,104 21,105 39,106 0.269,107 0.587,108 0.734,109 0.816,110 0.842,111 0.862,112 3.339,113 0.867,114 -3.7,115 -3.67,116 -3.49,118 40.8,120 1,123 2,124 1,136 7,137 3,138 3,139 1,141 1,144 1,154 2,155 2,156 2,161 9,163 1,164 7,165 3,166 3,168 1,169 9,171 1,172 1,173 10,177 1,179 6,181 1,183 8,184 1,185 1,186 1,187 2,188 2,189 2,190 2,191 1,193 7,197 3,200 4,201 3,202 1,203 5,207 2,208 7,209 2,210 2,211 2,213 1,214 1,216 2,217 7,218 2,219 2,220 1,221 1,222 1,224 1,226 5,227 1,228 1,229 2,230 1,231 1,235 4,238 1177,239 18.342,240 18.342,241 18.342,242 18.342,243 18.342,244 16.066,245 26.546,246 10.789,247 18.986,248 14.17,249 14.17,250 14.17,251 14.17,252 14.17,253 10.706,254 34.768,255 4.976,256 15.025,257 4.027,258 2.146,259 1.279,260 0.796,261 0.643,262 0.521,263 4.022,265 1,266 1,267 1,268 729,269 3,272 299.479,279 2.173,280 22.907,282 1,283 1,284 1,285 1,286 0.6,287 0.5,288 1,289 1,290 0.87,291 59,292 345,293 4.308,294 3.258,295 6.188,296 3.914,297 2.951,298 3.955,299 1.151,300 9.236,301 2.848,302 4.199,303 3.074,304 6.074,305 3.771,306 2.825,307 3.841,308 0.86,309 8.785,310 2.669,311 4.031,312 2.904,313 5.48,314 3.614,315 2.641,316 3.633,317 0.86,318 7.336,319 2.572,320 3.6,321 2.65,322 5.25,323 3.235,324 2.288,325 2.928,326 0.68,327 6.652,328 2.16,329 3.472,330 2.507,331 5.104,332 3.116,333 2.17,334 2.76,336 6.253,337 2.042,338 3.357,339 2.168,340 4.915,341 2.935,342 1.993,343 2.655,345 5.633,346 1.866,347 2.919,348 2.109,349 4.388,350 2.519,351 1.604,352 2.058,354 4.222,355 1.46,356 2.823,357 1.567,358 4.125,359 2.351,360 1.417,361 1.952,363 3.648,364 1.319,365 2.5,366 1.311,367 3.414,368 2,369 1,370 1.5,372 2.275,373 1,374 2.083,375 1.014,376 3.319,377 1.783,378 0.876,379 1.022,381 1.972,382 0.785,383 1.737,384 1,385 3.057,386 1.45,387 0.562,388 0.639,389 1.036,390 0.493,391 1.61,392 0.936,393 2.871,394 1.318,395 0.415,396 0.473,397 0.799,398 0.369,399 1.509,400 0.656,401 2.654,402 1.224,403 0.336,404 0.388,405 0.568,406 0.299,407 1.098,408 0.255,409 2.39,410 0.773,411 -0.16,412 -0.19,413 -0.33,414 -0.147,415 0.802,416 -0.133,417 2.358,418 0.433,419 -0.506,420 -0.615,421 -1.081,422 -0.464,423 12.6,424 0.467,425 0.588,426 0.022,427 38,428 1.407,429 20.5,430 0.759,431 17.5,432 0.648,433 18.751,434 0.694,435 29.4,436 0.6,437 28.244,438 1.046,439 7.932,440 0.294,441 5.152,442 0.191,443 0.143,445 0.317,449 0.994,450 1.249,451 0.814,452 1.105,453 1.167,454 0.943,455 1.252,456 0.802,457 0.86,458 0.848,459 0.833,460 0.809,461 1.065,462 1.268,463 1.058,464 1.233,465 0.911,466 1.158,467 1.114,468 1.057,469 1.162,470 1.178,471 1.069,472 1.182,473 1.095,474 0.914,475 1.002,476 0.926,477 1.012,478 0.951,479 0.873,480 1.021,481 0.978,482 1.024,483 0.923,484 1.017,485 0.761,486 0.957,487 0.824,488 1.001,489 0.638,490 0.944,491 1.102,492 1.002,493 1.04,494 1.047,495 0.96,496 1.052,497 6,498 0.144,499 2.889,500 1.25,501 1.529,502 0.764,503 0.505,504 0.438,505 0.271,506 0.172,507 9435,508 26932,509 2.035,510 44.9,511 2,512 15,514 1,515 4,520 1.697,521 1.906,522 3.607,523 1.698,524 1,525 1,528 77.82,529 1.588,530 3.469,531 4.336,532 4.818,533 4.972,534 5.094,535 3.115,536 4.403,537 4.722,538 3.779,539 1326.57,540 8.178,541 17729,543 1,545 1,546 275.121,547 1.399,548 4.685,549 0.207,550 0.008,551 0.074,552 0.031,553 0.046,554 0.025,555 0.016,556 0.015,557 0.011,558 0.009,559 0.442,560 0.17,561 1,562 0.862,563 136.523,564 -0.098,565 -0.053,566 0.034,567 -0.038,568 -0.21,569 0.022,570 -0.056,571 0.259,572 0.084,573 0.18,574 0.093,575 0.151,576 -0.036,577 -0.181,578 -0.151,579 -0.197,580 -0.046,581 -0.192,582 -0.115,583 -0.055,584 -0.205,585 -0.181,586 -0.108,587 -0.206,588 -0.127,589 0.011,590 -0.011,591 0.069,592 -0.108,593 0.052,594 0.02,595 -0.035,596 -0.018,597 -0.026,598 -0.025,599 -0.024,600 0.162,601 -0.024,602 0.159,603 0.001,604 0.221,605 0.064,606 0.044,607 -0.072,608 -0.038,609 -0.059,610 0.031,611 -0.072,612 1.504,613 2.401,614 0.667,615 28.571,616 1.007,617 1.13,618 2.474,619 6.123,620 0.658,621 3.401,622 3.689,623 3.912,624 4.094,625 4.317,626 4.29,627 4.331,628 4.431,629 4.543,630 4.595,631 7.249,632 0.632,633 366.46,634 3.401,635 4.92,636 5.746,637 6.597,638 7.438,639 8.29,640 9.136,641 9.989,642 10.838,643 11.692,644 8.2,648 2,654 2,657 8,658 2,662 8,664 18,673 2,677 3,679 49,680 18,681 2,682 29,684 51,685 20,686 16,687 5,688 7,690 3,691 3,700 1,702 16,703 4,714 1,715 1,718 22,719 7,720 4,721 7,726 4,729 1,730 3,740 1,745 3,766 3,770 2,774 27,775 2,780 2,782 3,795 6.1,800 3,801 14.167,802 9.233,803 6.139,804 2.508,805 3.125,806 1.437,807 0.969,808 6.242,809 10.275,810 3.664,811 4.256,812 4.785,813 5.284,814 5.818,815 5.858,816 6.062,817 6.445,818 6.857,819 7.187,820 0.889,821 40,822 9.878,823 4.013,824 7.753,825 18.659,826 14.486,827 2.253,828 60.833,831 1,832 211.88,833 133.788,834 99.365,836 33,839 133.788,840 244.879,841 99.365,842 21.766,843 7.127,844 132.128,845 45.342,846 67.334,847 4.227,848 200.109,850 211.88,851 233.154,852 33,855 211.88,856 33,858 18.073,859 181.509,860 33.571,862 211.88,863 132.365,864 133.788,867 211.88,868 36.641,869 97.147,871 132.365,872 211.88,873 132.365,874 133.788,876 0.572,877 0.336,878 0.171,879 0.094,880 17,881 8,882 0.137,883 7,885 1,886 3.953,887 215.802,889 18,890 124.382,894 19.109,895 8.819,896 4.949,898 132.365,899 15.119,900 7.978,904 5.508,906 65.794,907 478.033,908 38,916 49.342,917 55.358,918 0.283,919 0.618,920 0.772,921 0.858,922 0.885,923 0.907,924 4.871,925 1.417,926 5.714,927 4.222,928 4.369,929 4.942,930 2.019,931 6.463,932 4.265,933 6.07,934 1,935 7.239,936 3.648,937 3.892,938 4.691,940 7.235,941 3.753,942 7.365,943 0.876,944 8.856,945 2.275,946 5.916,947 7.113,948 1.963,949 10.249,950 5.73,951 8.692,952 0.562,953 10.524,954 1.972,955 6.217,956 7.614,958 11.791,959 5.986,960 10.045,961 0.415,962 12.224,963 1.036,964 7.7,965 9.521,966 2.01,967 14.312,968 7.44,969 11.415,970 0.336,971 13.945,972 0.799,973 8.369,974 10.384,976 16.195,977 8.06,978 12.799,979 -0.16,980 15.682,981 0.568,982 9.62,983 12.053,984 2.133,985 18.531,986 9.285,987 2.951,988 -0.506,989 17.431,990 -0.33,991 10.478,992 13.116,994 20.577,995 10.092,996 2.825,997 9.236,998 19.19,999 -1.081,1000 11.621,1001 14.656,1002 2.31,1003 22.836,1004 11.209,1005 2.641,1006 8.785,1007 20.957,1008 3.955,1009 12.576,1010 15.836,1012 24.962,1013 12.115,1014 2.288,1015 7.336,1016 22.73,1017 3.841,1018 13.67,1019 17.301,1020 2.523,1021 27.189,1022 13.18,1023 2.17,1024 6.652,1025 24.509,1026 3.633,1027 14.676,1028 18.55,1030 29.356,1031 14.14,1032 1.993,1033 6.253,1034 26.293,1035 2.928,1036 15.75,1037 19.971,1038 2.759,1039 31.57,1040 15.181,1041 1.604,1042 5.633,1043 28.081,1044 2.76,1045 16.782,1046 21.264,1048 33.756,1049 16.17,1050 9211,1051 15682,1052 19.186,1053 32.239,1054 42.226,1055 43.138,1056 43.819,1057 42.075,1058 42.158,1059 55.606,1060 7.102,1061 116.829,1062 39.765,1063 5.146,1064 5.258,1065 5.743,1066 4.983,1067 4.951,1068 6.955,1069 2.302,1070 15.607,1071 4.848,1072 13.949,1073 1.456,1074 1.488,1075 1.511,1076 1.451,1077 1.454,1078 1.917,1079 0.245,1080 4.029,1081 1.371,1082 3.998,1083 4.025,1084 3.948,1085 3.908,1086 5.291,1087 3.913,1088 3.901,1089 3.929,1090 3.844,1091 3.827,1092 4.98,1093 3.826,1094 3.8,1095 3.839,1096 3.762,1097 3.644,1098 4.938,1099 3.669,1100 3.344,1101 3.387,1102 3.23,1103 3.114,1104 4.84,1105 3.136,1106 3.281,1107 3.344,1108 3.129,1109 3.021,1110 4.487,1111 3.037,1112 3.176,1113 3.258,1114 3.007,1115 2.925,1116 4.459,1117 2.931,1118 3.073,1119 3.168,1120 2.9,1121 2.813,1122 4.347,1123 2.81,1124 2.966,1125 3.078,1126 2.787,1127 2.735,1128 4.186,1129 2.715,1130 0.149,1131 0.112,1132 0.213,1133 0.135,1134 0.102,1135 4.308,1136 0.136,1137 3.258,1138 0.04,1139 6.188,1140 0.318,1141 3.914,1142 0.098,1143 2.951,1144 3.955,1145 1.151,1146 9.236,1147 2.848,1148 1.94,1149 1.92,1150 2.039,1151 2.053,1152 1.209,1153 2.047,1154 1.889,1155 1.866,1156 2,1157 1.993,1158 1.132,1159 1.994,1160 1.725,1161 1.685,1162 1.81,1163 1.906,1164 0.866,1165 1.883,1166 1.27,1167 1.224,1168 1.586,1169 1.558,1170 0.629,1171 1.563,1172 1.216,1173 1.148,1174 1.573,1175 1.528,1176 0.573,1177 1.542,1178 1.132,1179 1.056,1180 1.418,1181 1.421,1182 0.528,1183 1.425,1184 1.034,1185 0.948,1186 1.337,1187 1.343,1188 0.374,1189 1.345,1190 0.892,1191 0.821,1192 1.225,1193 1.243,1194 0.218,1195 1.26,1196 4.078,1198 5.371,1200 6.86,1202 8.434,1204 10.048,1206 3.252,1210 11.445,1212 1,1214 16.531,1222 30.971,1223 77.82,1224 169.985,1225 212.45,1226 236.101,1227 243.611,1228 249.611,1229 40.872,1230 7.149,1231 105.51,1232 105.51,1233 18,1234 12.248,1235 4.248,1236 3.322,1237 47.231,1238 117,1239 127,1240 0.196,1241 193.256,1242 331.39,1243 463.306,1244 12254,1246 19.225,1247 0.712,1248 0.567,1249 19.225,1250 15.307,1251 13.084,1252 0.451,1253 0.289,1254 8.215,1255 12.442,1256 7.954,1257 6.669,1258 13.084,1259 8.383,1260 11.371,1261 0.292,1262 0.152,1263 11.371,1264 5.937,1265 9.507,1266 0.194,1267 0.084,1268 9.507,1269 4.093,1270 7.403,1271 0.125,1272 0.044,1273 7.403,1274 2.614,1275 5.978,1276 0.081,1277 0.024,1278 5.978,1279 1.782,1280 0.314,1281 83.083,1282 0.228,1283 26.462,1284 0.516,1285 136,1286 431.121,1287 151.35,1288 410.493,1289 559.5,1290 386,1291 156,1292 407.517,1293 171.074,1294 416.214,1295 597.93,1296 386,1297 5}
{0 CHEMBL288441,1 1.692,2 14.556,3 4.883,4 23.847,5 142.137,6 8.162,7 0.436,8 4.273,9 4.384,10 3.916,11 3.784,12 5.376,13 3.77,14 4.831,15 5.013,16 4.276,17 4.168,18 5.83,19 4.139,20 5.047,21 5.227,22 4.462,23 4.366,24 6.1,25 4.306,26 5.171,27 5.39,28 4.438,29 4.411,30 6.182,31 4.3,32 5.173,33 5.417,34 4.323,35 4.353,36 6.121,37 4.252,38 5.067,39 5.27,40 4.381,41 4.327,42 6.127,43 4.251,44 5.082,45 5.292,46 4.382,47 4.291,48 6.218,49 4.216,50 4.969,51 5.165,52 4.319,53 4.22,54 6.095,55 4.143,56 0.069,57 0.928,58 12.114,59 5.76,60 11.444,61 7.328,62 0.459,63 1.455,64 27.478,65 9.309,66 28.265,67 11.987,68 0.67,69 1.759,70 37.048,71 12.412,72 44.354,73 16.176,74 0.747,75 1.885,76 48.447,77 15.391,78 65.448,79 20.506,80 0.786,81 1.823,82 47.666,83 15.1,84 61.843,85 20.601,86 0.545,87 1.697,88 38.227,89 13.209,90 51.397,91 17.233,92 0.835,93 1.649,94 44.73,95 12.79,96 81.487,97 16.75,98 0.591,99 1.526,100 34.875,101 12.092,102 61.341,103 15.781,104 46,105 54,106 0.269,107 0.578,108 0.758,109 0.819,110 0.844,111 0.858,112 3.616,113 0.956,114 -2.61,115 -2.63,116 -2.56,118 40,120 1,123 3,124 6,136 4,137 2,138 7,139 1,140 1,149 1,161 1,164 9,168 3,169 4,172 2,173 6,177 3,179 5,182 3,183 2,185 3,187 1,189 5,192 1,193 5,195 1,197 1,200 6,203 8,205 1,208 4,210 3,211 7,217 4,219 4,220 5,224 1,226 2,228 1,229 5,235 1,238 2640,239 24.488,240 24.488,241 24.488,242 24.488,243 24.488,244 22.307,245 34.549,246 14.273,247 25.536,248 19.034,249 19.034,250 19.034,251 19.034,252 19.034,253 15.477,254 46.674,255 6.518,256 20.636,257 4.33,258 2.381,259 1.254,260 0.866,261 0.712,262 0.619,263 4.31,264 2,267 1,268 1115,269 3.742,272 447.348,276 171.585,279 2.469,280 35.703,283 0.75,284 0.83,285 0.67,286 0.9,287 0.5,288 0.83,289 1,290 0.78,291 78.167,292 524,293 4.641,294 4.073,295 6.744,296 4.181,297 3.209,298 4.576,299 2.035,300 11.06,301 3.122,302 4.356,303 3.389,304 6.254,305 3.898,306 2.975,307 4.047,308 0.86,309 9.396,310 2.714,311 4.121,312 3.291,313 6.128,314 3.692,315 2.75,316 3.649,317 0.86,318 8.973,319 2.58,320 3.712,321 3.03,322 5.738,323 3.539,324 2.618,325 3.095,326 0.86,327 7.555,328 2.409,329 3.696,330 2.944,331 5.593,332 3.271,333 2.381,334 3.022,335 0.8,336 7.155,337 2.127,338 3.618,339 2.869,340 5.412,341 3.159,342 2.199,343 2.643,344 0.8,345 7.12,346 2.046,347 3.356,348 2.49,349 4.889,350 3.027,351 2.116,352 2.617,353 0.4,354 5.696,355 1.928,356 3.12,357 2.318,358 4.869,359 2.826,360 1.885,361 2.239,363 5.397,364 1.766,365 3.058,366 2.29,367 4.569,368 2.606,369 1.711,370 2.118,372 4.732,373 1.479,374 2.992,375 2.215,376 4.338,377 2.475,378 1.56,379 1.821,381 3.968,382 1.405,383 2.748,384 1.905,385 3.731,386 2.195,387 1.257,388 1.407,389 2.927,390 1.166,391 2.414,392 1.642,393 3.54,394 1.967,395 1,396 1.289,397 2.275,398 0.965,399 2.058,400 1.476,401 3.414,402 1.779,403 0.954,404 1,405 2.202,406 0.751,407 2,408 1.146,409 3.306,410 1.595,411 0.711,412 0.968,413 1.396,414 0.6,415 1.819,416 1.023,417 3.093,418 1.518,419 0.612,420 0.72,421 1.318,422 0.545,423 17.429,424 0.484,425 0.831,426 0.023,427 45.25,428 1.257,429 21,430 0.583,431 24.25,432 0.674,433 35.284,434 0.98,435 39.571,436 0.609,437 37.538,438 1.043,439 8.985,440 0.25,441 8.441,442 0.234,443 0.191,445 0.333,449 0.833,450 1.513,451 0.608,452 1.108,453 0.563,454 0.979,455 1.305,456 0.972,457 0.709,458 0.683,459 0.682,460 0.71,461 0.971,462 1.108,463 0.882,464 0.996,465 0.662,466 0.976,467 0.764,468 0.99,469 0.836,470 1.008,471 0.734,472 1.026,473 0.794,474 0.859,475 0.739,476 0.856,477 0.746,478 0.836,479 1.09,480 1.073,481 0.804,482 0.917,483 0.966,484 0.913,485 1.22,486 0.902,487 1.054,488 0.911,489 1.181,490 0.895,491 0.897,492 1.096,493 0.821,494 1.053,495 0.848,496 1.018,497 7.5,498 0.264,499 4.444,500 2.125,501 2.596,502 1.278,503 0.973,504 0.833,505 0.537,506 0.341,507 19781,508 56853,509 2.04,510 44.6,512 25,514 1,515 1,518 2,520 1.775,521 1.895,522 3.765,523 -0.327,528 109.996,529 1.692,530 3.641,531 4.769,532 5.157,533 5.311,534 5.403,535 3.288,536 4.705,537 5.133,538 3.976,539 2504.59,540 9.031,541 40531.6,546 391.454,547 1.459,548 5.092,549 0.192,550 0.008,551 0.082,552 0.035,553 0.048,554 0.024,555 0.018,556 0.016,557 0.011,558 0.008,559 0.443,560 0.33,561 0.88,562 0.873,563 197.773,564 -0.041,565 -0.293,566 0.032,567 -0.131,568 0.044,569 -0.042,570 -0.217,571 0.142,572 0.06,573 0.244,574 -0.008,575 0.206,576 0.026,577 -0.025,578 0.003,579 -0.025,580 0.1,581 -0.026,582 0.115,583 0.004,584 0.077,585 -0.018,586 0.121,587 -0.03,588 0.099,589 0.086,590 0.134,591 0.12,592 0.097,593 0.17,594 -0.072,595 -0.066,596 0.067,597 0.059,598 0.025,599 0.059,600 -0.039,601 0.096,602 -0.005,603 0.066,604 0.064,605 0.063,606 0.126,607 -0.083,608 0.073,609 -0.072,610 0.19,611 -0.046,612 1.31,613 3.745,614 0.611,615 47.741,616 1.01,617 1.129,618 1.375,619 1.892,620 0.677,621 3.689,622 4.007,623 4.29,624 4.533,625 4.82,626 4.913,627 5.011,628 5.165,629 5.298,630 5.328,631 8.319,632 0.642,633 530.5,634 3.689,635 5.231,636 6.084,637 6.961,638 7.836,639 8.719,640 9.602,641 10.491,642 11.379,643 12.271,644 7.7,647 2,652 1,653 1,654 1,656 2,657 5,658 1,662 8,664 17,665 1,674 1,677 3,678 2,679 65,680 18,681 2,682 39,684 68,685 26,686 15,687 8,688 4,690 4,691 5,692 2,700 1,701 1,702 15,703 10,718 29,719 8,720 1,721 10,722 2,726 5,729 0.75,730 3,739 1,745 4,749 1,763 2,766 3,770 3,771 2,774 36,780 7,781 1,782 3,785 2,787 1,791 1,793 1,794 2,795 4.6,800 3,801 19,802 12.752,803 8.167,804 3.792,805 3.505,806 1.428,807 0.963,808 9.127,809 11.694,810 3.922,811 4.5,812 5.107,813 5.692,814 6.322,815 6.711,816 7.12,817 7.564,818 7.999,819 8.189,820 0.9,821 60,822 13.269,823 5.517,824 7.719,825 25.373,826 20.365,827 2.219,828 79.889,832 329.591,833 147.52,834 72.104,835 78.297,836 33,839 147.52,840 440.888,841 72.104,842 30.162,843 17.655,844 37.905,845 45.158,846 133.513,848 317.82,849 78.297,850 329.591,851 219.624,852 33,853 78.297,855 306.049,856 56.542,858 84.166,859 118.673,860 95.083,862 329.591,863 105.104,864 225.817,867 329.591,868 53.803,869 83.364,870 34.612,871 159.142,872 329.591,873 105.104,874 225.817,876 0.575,877 0.349,878 0.186,879 0.107,880 24,881 12,882 0.132,883 9,884 1,885 1.091,886 4.563,887 340.42,888 0.091,889 22,890 182.117,894 26.743,895 12.286,896 6.345,897 1.351,898 105.104,899 8.458,900 4.48,904 3.866,906 18.011,907 660.512,908 49.5,916 65.625,917 73.405,918 0.281,919 0.605,920 0.792,921 0.856,922 0.882,923 0.897,924 5.178,925 1.885,926 6.071,927 5.696,928 4.691,929 5.187,930 2.77,931 6.884,932 4.539,933 6.384,934 1.711,935 7.636,936 5.397,937 4.29,938 5.085,939 0.57,940 7.796,941 4.046,942 7.699,943 1.56,944 9.298,945 4.732,946 6.293,947 7.42,948 3.677,949 10.882,950 6.03,951 9.048,952 1.257,953 11.017,954 3.968,955 6.698,956 8.155,957 0.479,958 12.597,959 6.355,960 10.43,961 1,962 12.771,963 2.927,964 8.165,965 9.985,966 4.983,967 15.213,968 7.807,969 11.835,970 0.954,971 14.549,972 2.275,973 8.945,974 11.11,975 0.346,976 17.281,977 8.527,978 13.258,979 0.711,980 16.346,981 2.202,982 10.201,983 12.743,984 6.381,985 19.737,986 9.765,987 3.209,988 0.612,989 18.156,990 1.396,991 11.164,992 14.059,993 0.237,994 21.97,995 10.684,996 2.975,997 11.06,998 19.977,999 1.318,1000 12.337,1001 15.61,1002 7.798,1003 24.37,1004 11.836,1005 2.75,1006 9.396,1007 21.808,1008 4.576,1009 13.388,1010 17.02,1011 0.158,1012 26.683,1013 12.855,1014 2.618,1015 8.973,1016 23.646,1017 4.047,1018 14.531,1019 18.539,1020 9.218,1021 29.067,1022 13.978,1023 2.381,1024 7.555,1025 25.491,1026 3.649,1027 15.627,1028 19.997,1029 0.104,1030 31.419,1031 15.048,1032 2.199,1033 7.155,1034 27.343,1035 3.095,1036 16.762,1037 21.506,1038 10.638,1039 33.803,1040 16.164,1041 2.116,1042 7.12,1043 29.199,1044 3.022,1045 17.88,1046 22.988,1047 0.068,1048 36.175,1049 17.26,1050 19083,1051 32774,1052 25.66,1053 44.006,1054 58.42,1055 61.514,1056 60.367,1057 57.342,1058 57.166,1059 71.872,1060 13.229,1061 164.588,1062 52.328,1063 5.641,1064 6.073,1065 6.424,1066 5.25,1067 5.209,1068 7.576,1069 4.069,1070 18.287,1071 5.122,1072 20.414,1073 1.498,1074 1.577,1075 1.548,1076 1.47,1077 1.466,1078 1.843,1079 0.339,1080 4.22,1081 1.342,1082 4.102,1083 4.123,1084 4.131,1085 4.02,1086 6.82,1087 4.031,1088 3.898,1089 3.936,1090 4.026,1091 3.838,1092 5.075,1093 3.835,1094 3.858,1095 3.906,1096 3.736,1097 3.656,1098 4.997,1099 3.665,1100 3.62,1101 3.661,1102 3.611,1103 3.468,1104 4.688,1105 3.486,1106 3.502,1107 3.556,1108 3.555,1109 3.343,1110 4.656,1111 3.337,1112 3.268,1113 3.326,1114 3.363,1115 3.012,1116 4.493,1117 3.026,1118 3.236,1119 3.303,1120 3.212,1121 2.977,1122 4.474,1123 2.998,1124 3.19,1125 3.282,1126 3.119,1127 2.941,1128 4.387,1129 2.94,1130 0.119,1131 0.104,1132 0.173,1133 0.107,1134 0.082,1135 4.641,1136 0.117,1137 4.073,1138 0.052,1139 6.744,1140 0.284,1141 4.181,1142 0.08,1143 3.209,1144 4.576,1145 2.035,1146 11.06,1147 3.122,1148 2.038,1149 2.021,1150 2.082,1151 2.134,1152 1.336,1153 2.12,1154 1.853,1155 1.844,1156 2.014,1157 2.03,1158 1.233,1159 2.032,1160 1.799,1161 1.726,1162 1.889,1163 1.939,1164 1.12,1165 1.936,1166 1.571,1167 1.529,1168 1.818,1169 1.782,1170 1.045,1171 1.794,1172 1.476,1173 1.427,1174 1.626,1175 1.659,1176 0.825,1177 1.649,1178 1.198,1179 1.131,1180 1.561,1181 1.51,1182 0.671,1183 1.527,1184 1.181,1185 1.108,1186 1.542,1187 1.481,1188 0.641,1189 1.501,1190 1.162,1191 1.064,1192 1.513,1193 1.429,1194 0.572,1195 1.455,1196 4.369,1198 5.687,1200 7.209,1202 8.828,1204 10.5,1206 5.273,1207 12.604,1212 6.832,1213 3.261,1214 17.025,1217 4.805,1220 9.745,1221 2.19,1222 41.755,1223 109.996,1224 236.683,1225 309.97,1226 335.189,1227 345.189,1228 351.189,1229 72.029,1230 8.188,1231 82.88,1232 82.88,1233 24,1234 12.799,1235 4.248,1236 3.524,1237 62.202,1238 176,1239 220,1240 0.169,1241 263.95,1242 461.61,1243 635.797,1244 45361,1245 3.1,1246 25.656,1247 0.713,1248 0.614,1249 26.656,1250 22.118,1251 17.427,1252 0.447,1253 0.319,1254 11.512,1255 16.021,1256 11.105,1257 9.192,1258 18.004,1259 12.433,1260 15.234,1261 0.282,1262 0.175,1263 15.975,1264 9.432,1265 13.196,1266 0.183,1267 0.095,1268 13.903,1269 6.855,1270 10.596,1271 0.115,1272 0.051,1273 11.348,1274 4.657,1275 8.905,1276 0.072,1277 0.027,1278 9.35,1279 3.275,1280 0.269,1281 116.575,1282 0.197,1283 33.236,1284 0.455,1285 186,1286 582.527,1287 234.637,1288 613.408,1289 812.98,1290 574,1291 219,1292 540.271,1293 263.019,1294 569.569,1295 830.61,1296 530,1297 5}
{0 CHEMBL296468,1 1.706,2 11.8,3 2.284,4 5.216,5 101.699,6 7.767,7 0.37,8 3.979,9 4.1,10 3.665,11 3.55,12 4.99,13 3.47,14 4.551,15 4.736,16 4.127,17 3.973,18 5.51,19 3.851,20 4.782,21 4.99,22 3.999,23 4.025,24 5.719,25 3.878,26 4.895,27 5.161,28 3.92,29 3.959,30 5.827,31 3.792,32 4.614,33 4.87,34 3.825,35 3.766,36 5.612,37 3.614,38 4.288,39 4.455,40 3.875,41 3.739,42 5.319,43 3.56,44 4.388,45 4.617,46 3.622,47 3.732,48 5.218,49 3.493,50 4.129,51 4.299,52 3.55,53 3.559,54 5.096,55 3.378,56 0.023,57 0.759,58 11.51,59 5.054,60 7.549,61 6.286,62 0.278,63 1.247,64 28.591,65 9.346,66 26.577,67 11.26,68 0.297,69 1.401,70 33.279,71 10.879,72 34.528,73 13.753,74 0.565,75 1.39,76 39.808,77 11.762,78 59.771,79 14.875,80 0.453,81 1.155,82 31.374,83 8.604,84 47.285,85 10.791,86 0.28,87 0.985,88 24.271,89 7.881,90 25.889,91 8.452,92 0.298,93 1.03,94 34.79,95 10.196,96 21.236,97 10.966,98 0.13,99 0.81,100 20.114,101 6.957,102 17.688,103 7.67,104 18,105 38,106 0.292,107 0.602,108 0.762,109 0.769,110 0.769,111 0.769,112 3.266,113 1.141,114 -3.55,115 -3.52,116 -3.36,118 34.7,119 3,120 2,121 1,122 1,124 3,139 2,146 1,147 1,149 1,152 1,153 1,161 5,163 1,164 3,166 2,168 4,169 5,173 9,177 3,182 1,183 5,187 1,189 1,193 4,195 1,196 1,200 3,202 2,203 1,208 4,214 3,216 1,217 3,220 1,226 3,228 2,229 5,233 2,238 932,239 16.419,240 16.419,241 16.419,242 16.419,243 16.419,244 15.14,245 26.932,246 9.68,247 17.048,248 13.351,249 13.351,250 13.351,251 13.351,252 13.351,253 11.287,254 36.798,255 4.651,256 14.413,257 3.909,258 2.106,259 1.169,260 1.128,261 1.128,262 1.128,263 3.941,265 1,266 1,267 1,268 625,269 3.808,271 156.977,272 94.674,279 2,280 23.413,283 1,284 1,285 1,286 1,287 1,288 1,289 1,290 1,291 54,292 295,293 4.469,294 4.438,295 7.118,296 4.324,297 3.327,298 3.913,299 3.272,300 11.698,301 3.319,302 4.158,303 3.714,304 6.056,305 3.826,306 2.864,307 3.744,308 1.907,309 8.732,310 2.803,311 3.901,312 3.55,313 5.63,314 3.537,315 2.662,316 3.093,317 0.4,318 7.783,319 2.377,320 3.764,321 3.025,322 5.4,323 3.41,324 2.465,325 3.018,326 0.149,327 7.151,328 2.214,329 3.209,330 2.474,331 4.909,332 2.885,333 1.995,334 2.362,336 5.721,337 1.779,338 2.876,339 2.279,340 4.427,341 2.595,342 1.672,343 1.879,345 4.185,346 1.505,347 2.727,348 2.14,349 4.159,350 2.39,351 1.423,352 1.782,354 3.835,355 1.365,356 2.242,357 1.609,358 3.45,359 1.995,360 1.036,361 1.167,363 2.476,364 0.983,365 2.17,366 1.358,367 3.302,368 1.984,369 1,370 1.043,372 2.136,373 0.98,374 2.159,375 1.077,376 3.273,377 1.65,378 0.756,379 1.014,381 1.811,382 0.666,383 2,384 0.946,385 3.247,386 1.604,387 0.692,388 1,389 1.686,390 0.625,391 1.691,392 0.695,393 3.103,394 1.255,395 0.447,396 0.545,397 1.109,398 0.352,399 0.997,400 0.454,401 2.645,402 0.58,403 -0.353,404 -0.42,405 -0.95,406 -0.318,407 0.447,408 0.164,409 2.528,410 0.262,411 -0.75,412 -0.824,413 -1.619,414 -0.688,415 0.372,416 -0.323,417 2.123,418 0.108,419 -0.805,420 -0.972,421 -2.339,422 -0.78,423 12.433,424 0.497,425 0.757,426 0.03,427 26.75,428 1.07,429 10.5,430 0.42,431 16.25,432 0.65,433 26.424,434 1.057,435 28.367,436 0.579,437 15.677,438 0.627,439 4.316,440 0.173,441 7.599,442 0.304,443 0.147,444 0.04,445 0.241,449 0.826,450 1.328,451 0.768,452 0.982,453 0.633,454 1.001,455 0.701,456 1.057,457 0.796,458 0.945,459 0.553,460 0.906,461 1.139,462 1.232,463 1.001,464 1.159,465 1.094,466 1.179,467 1.356,468 0.855,469 0.806,470 0.76,471 1.358,472 0.808,473 1.229,474 0.814,475 0.973,476 0.834,477 1.538,478 0.797,479 1.19,480 1.113,481 1.51,482 1.302,483 1.169,484 1.121,485 0.535,486 1.121,487 1.958,488 1.724,489 0.462,490 1.129,491 1.131,492 1.318,493 1.527,494 1.428,495 1.198,496 1.238,497 6.5,498 0.09,499 2.667,500 1.507,501 1.296,502 0.511,503 0.375,504 0.293,505 0.185,506 0.2,507 8015,508 19920,509 2.028,510 49,511 9,512 6,514 2,515 2,516 1,517 4,520 1.672,521 1.887,522 3.515,523 0.352,524 1,525 1,528 83.595,529 1.706,530 3.509,531 4.446,532 4.486,533 4.486,534 4.486,535 2.953,536 4.134,537 4.617,538 3.731,539 1119.21,540 7.942,541 14422.1,543 1,545 1,546 275.121,547 1.571,548 4.56,549 0.241,550 0.006,551 0.07,552 0.047,553 0.045,554 0.02,555 0.015,556 0.013,557 0.009,558 0.011,559 0.477,560 0.33,561 1,562 0.795,563 124.003,564 -0.047,565 -0.12,566 0.077,567 0.031,568 -0.025,569 0.02,570 0.184,571 0.059,572 0.209,573 0.107,574 0.134,575 0.101,576 -0.083,577 -0.227,578 -0.066,579 -0.185,580 -0.089,581 -0.198,582 -0.067,583 0.013,584 0.123,585 0.137,586 -0.038,587 0.135,588 -0.041,589 0.192,590 0.084,591 0.138,592 -0.063,593 0.139,594 -0.078,595 0.123,596 -0.07,597 0.039,598 -0.112,599 -0.088,600 0.13,601 0.03,602 -0.26,603 -0.191,604 0.062,605 -0.007,606 -0.183,607 -0.162,608 -0.2,609 -0.128,610 -0.136,611 -0.177,612 1.588,613 5.249,614 0.64,615 24.531,616 1.001,617 1.131,618 2.316,619 5.362,620 0.67,621 3.332,622 3.664,623 3.829,624 4.007,625 4.078,626 4.078,627 4.078,628 4.174,629 4.248,630 4.317,631 7.128,632 0.615,633 380.59,634 3.332,635 4.875,636 5.694,637 6.561,638 7.397,639 8.262,640 9.104,641 9.968,642 10.814,643 11.676,644 8.2,646 1,651 1,654 2,657 2,658 2,660 1,661 1,662 4,664 10,679 49,680 11,682 27,684 51,685 17,686 6,690 3,691 3,694 3,695 1,697 2,698 1,700 2,702 7,703 10,704 1,706 1,709 1,712 1,714 1,715 1,718 24,719 6,720 2,721 8,722 2,726 4,729 1,730 2,734 1,744 2,745 1,755 1,762 1,766 3,767 1,768 2,770 3,774 25,780 5,781 2,783 1,784 1,786 1,789 1,795 4.1,798 1,800 1,801 13.25,802 9.567,803 5.361,804 2.963,805 1.801,806 1.259,807 0.938,808 6.182,809 8.746,810 3.526,811 4.052,812 4.486,813 4.95,814 5.048,815 5.236,816 5.361,817 5.659,818 5.968,819 6.285,820 0.875,821 32,822 9.286,823 3.894,824 7.643,825 18.061,826 14.9,827 2.143,828 53.583,832 258.964,833 133.922,834 69.593,836 34.652,838 63.497,839 70.425,840 293.617,841 69.593,842 26.476,843 28.191,844 18.011,845 91.983,846 28.103,847 5.449,848 298.919,850 258.964,851 140.017,852 34.652,853 63.497,855 211.88,856 81.737,858 96.293,859 10.153,860 33.571,861 63.497,862 258.964,863 104.245,864 133.922,867 258.964,868 89.352,869 44.57,870 36.022,871 68.223,872 258.964,873 104.245,874 133.922,876 0.59,877 0.321,878 0.158,879 0.079,880 18,881 8,882 0.118,883 6,885 1,886 3.82,887 192.522,889 16,890 107.342,891 2,894 18.869,895 8.191,896 5.284,898 104.245,899 3.591,900 8.642,902 5.797,903 1.492,904 3.302,906 36.022,907 497.131,908 33,911 12.249,914 0.079,916 49.051,917 55.404,918 0.304,919 0.625,920 0.792,921 0.799,922 0.799,923 0.799,924 4.783,925 1.036,926 5.714,927 3.835,928 4.344,929 4.736,930 3.36,931 6.518,932 4.218,933 5.978,934 1,935 7.28,936 2.476,937 4.111,938 4.575,939 1.593,940 7.644,941 4.011,942 7.285,943 0.756,944 8.959,945 2.136,946 5.994,947 6.808,948 5.512,949 10.597,950 5.803,951 8.625,952 0.692,953 10.709,954 1.811,955 6.567,956 7.459,957 3.032,958 12.55,959 6.426,960 9.999,961 0.447,962 12.506,963 1.686,964 7.971,965 9.173,966 7.829,967 15.115,968 7.776,969 11.393,970 -0.353,971 14.337,972 1.109,973 8.879,974 10.182,975 4.409,976 17.376,977 8.731,978 12.803,979 -0.75,980 16.193,981 -0.95,982 10.122,983 11.686,984 10.185,985 19.847,986 9.95,987 3.327,988 -0.805,989 18.069,990 -1.619,991 11.177,992 12.866,993 5.75,994 22.226,995 11.039,996 2.864,997 11.698,998 19.961,999 -2.339,1000 12.366,1001 14.279,1002 12.551,1003 24.679,1004 12.223,1005 2.662,1006 8.732,1007 21.866,1008 3.913,1009 13.489,1010 15.543,1011 7.068,1012 27.104,1013 13.367,1014 2.465,1015 7.783,1016 23.781,1017 3.744,1018 14.666,1019 16.917,1020 14.92,1021 29.556,1022 14.546,1023 1.995,1024 7.151,1025 25.704,1026 3.093,1027 15.821,1028 18.223,1029 8.374,1030 32,1031 15.715,1032 1.672,1033 5.721,1034 27.634,1035 3.018,1036 16.999,1037 19.581,1038 17.291,1039 34.454,1040 16.898,1041 1.423,1042 4.185,1043 29.57,1044 2.362,1045 18.171,1046 20.908,1047 9.674,1048 36.907,1049 18.079,1050 7787,1051 12486,1052 17.682,1053 32.841,1054 41.398,1055 44.023,1056 40.594,1057 40.509,1058 40.678,1059 49.121,1060 11.457,1061 116.645,1062 37.934,1063 5.469,1064 6.331,1065 6.92,1066 5.526,1067 5.327,1068 6.55,1069 6.545,1070 18.723,1071 5.255,1072 13.074,1073 1.533,1074 1.63,1075 1.503,1076 1.5,1077 1.507,1078 1.819,1079 0.424,1080 4.32,1081 1.405,1082 3.964,1083 3.99,1084 4.312,1085 3.884,1086 7.428,1087 3.831,1088 3.886,1089 3.93,1090 3.906,1091 3.753,1092 5.134,1093 3.747,1094 3.764,1095 3.794,1096 3.749,1097 3.699,1098 4.83,1099 3.664,1100 3.535,1101 3.595,1102 3.532,1103 3.378,1104 4.361,1105 3.366,1106 3.314,1107 3.363,1108 3.293,1109 3.065,1110 4.238,1111 3.085,1112 3.111,1113 3.206,1114 3.179,1115 2.941,1116 3.819,1117 2.91,1118 3.004,1119 3.067,1120 2.866,1121 2.914,1122 3.794,1123 2.849,1124 2.874,1125 3.009,1126 2.604,1127 2.618,1128 3.605,1129 2.57,1130 0.166,1131 0.164,1132 0.264,1133 0.16,1134 0.123,1135 4.469,1136 0.145,1137 4.438,1138 0.121,1139 7.118,1140 0.433,1141 4.324,1142 0.123,1143 3.327,1144 3.913,1145 3.272,1146 11.698,1147 3.319,1148 1.836,1149 1.783,1150 2.039,1151 2.019,1152 1.39,1153 2.029,1154 1.774,1155 1.732,1156 1.988,1157 1.925,1158 1.203,1159 1.946,1160 1.509,1161 1.505,1162 1.565,1163 1.655,1164 0.892,1165 1.66,1166 1.364,1167 1.316,1168 1.513,1169 1.637,1170 0.825,1171 1.607,1172 1.246,1173 1.213,1174 1.477,1175 1.411,1176 0.614,1177 1.429,1178 1.153,1179 1.064,1180 1.417,1181 1.376,1182 0.493,1183 1.411,1184 1.109,1185 1.062,1186 1.417,1187 1.353,1188 0.469,1189 1.343,1190 1.034,1191 0.988,1192 1.356,1193 1.239,1194 0.469,1195 1.308,1196 4.007,1198 5.333,1199 3.045,1200 6.817,1201 5.283,1202 8.367,1203 7.273,1204 9.953,1206 6.306,1212 4.242,1213 6.212,1215 1.619,1216 0.087,1218 -0.035,1222 30.157,1223 83.595,1224 171.927,1225 217.837,1226 219.837,1227 219.837,1228 219.837,1229 47.806,1230 6.945,1231 80.05,1232 133.59,1233 16,1234 12.228,1235 3.585,1236 2.807,1237 42.16,1238 108,1239 90,1240 0.189,1241 194.455,1242 329.18,1243 466.229,1244 9880,1246 17.864,1247 0.715,1248 0.657,1249 18.571,1250 16.428,1251 11.915,1252 0.441,1253 0.38,1254 8.514,1255 10.638,1256 8.023,1257 6.704,1258 12.777,1259 10.272,1260 11.476,1261 0.302,1262 0.249,1263 12.82,1264 9.461,1265 8.559,1266 0.19,1267 0.137,1268 10.051,1269 6.147,1270 6.671,1271 0.124,1272 0.079,1273 8.233,1274 4.261,1275 4.753,1276 0.082,1277 0.05,1278 6.206,1279 2.923,1280 0.307,1281 83.323,1282 0.238,1283 24.931,1284 0.49,1285 130,1286 373.148,1287 198.068,1288 396.987,1289 537,1290 372,1291 148,1292 362.019,1293 201.5,1294 392.607,1295 572.45,1296 366,1297 5}
{0 CHEMBL300138,1 1.463,2 13.769,3 4.534,4 20.558,5 151.757,6 7.583,7 0.578,8 4.333,9 4.449,10 3.937,11 3.93,12 5.403,13 3.909,14 4.891,15 5.057,16 4.336,17 4.371,18 5.922,19 4.332,20 5.159,21 5.356,22 4.405,23 4.538,24 6.128,25 4.466,26 5.263,27 5.477,28 4.438,29 4.597,30 6.268,31 4.508,32 5.31,33 5.525,34 4.491,35 4.613,36 6.325,37 4.532,38 5.321,39 5.528,40 4.488,41 4.613,42 6.389,43 4.535,44 5.332,45 5.549,46 4.383,47 4.562,48 6.387,49 4.469,50 5.254,51 5.487,52 4.229,53 4.439,54 6.266,55 4.338,56 0.024,57 1.003,58 13.098,59 5.962,60 8.409,61 7.762,62 0.268,63 1.73,64 25.55,65 10.038,66 25.517,67 13.473,68 0.279,69 2.148,70 35.731,71 14.257,72 33.073,73 19.155,74 0.361,75 2.339,76 40.757,77 16.439,78 61.46,79 22.531,80 0.425,81 2.439,82 43.258,83 16.985,84 51.945,85 23.08,86 0.414,87 2.432,88 43.587,89 16.945,90 64.64,91 22.641,92 0.47,93 2.42,94 45.411,95 17.217,96 83.853,97 22.682,98 0.493,99 2.205,100 43.594,101 15.829,102 86.688,103 20.961,104 10,105 66,106 0.225,107 0.565,108 0.719,109 0.796,110 0.832,111 0.85,112 3.694,113 0.897,114 -4.04,115 -3.99,116 -3.78,118 47.1,120 2,123 1,124 3,125 1,132 2,136 11,137 4,139 1,140 1,145 2,146 2,149 2,161 15,164 14,166 2,168 2,169 16,172 1,173 12,177 2,179 13,182 2,183 9,187 2,189 16,192 2,193 9,195 2,197 2,200 17,202 2,203 11,207 4,208 14,210 2,211 14,216 4,217 11,220 11,226 8,228 1,229 9,231 1,235 11,238 3072,239 26.999,240 26.999,241 26.999,242 26.999,243 26.999,244 23.554,245 25.266,246 15.774,247 27.369,248 22.269,249 22.269,250 22.269,251 22.269,252 22.269,253 16.942,254 30.58,255 7.522,256 22.853,257 4.625,258 2.421,259 1.418,260 0.917,261 0.688,262 0.57,263 4.42,267 1,268 1220,269 2.915,271 243.269,272 429.132,275 290.794,279 2.146,280 30.791,283 0.75,284 0.67,285 0.83,286 0.7,287 0.5,288 0.83,289 1,290 0.75,291 82.5,292 537,293 4.828,294 3.839,295 7.192,296 4.426,297 3.434,298 4.717,299 1.2,300 12.678,301 3.407,302 4.647,303 3.339,304 6.862,305 4.189,306 3.219,307 4.604,308 0.916,309 11.457,310 3.126,311 4.366,312 3.257,313 6.577,314 3.943,315 2.969,316 3.945,317 0.8,318 10.363,319 2.887,320 3.942,321 3.154,322 6.041,323 3.657,324 2.704,325 3.457,326 0.172,327 8.5,328 2.579,329 3.747,330 3.004,331 5.694,332 3.468,333 2.495,334 3.016,336 7.686,337 2.42,338 3.54,339 2.655,340 5.562,341 3.205,342 2.217,343 2.846,345 7.198,346 2.197,347 3.395,348 2.417,349 5.278,350 3.076,351 2.125,352 2.702,354 6.187,355 2.007,356 3.342,357 2.303,358 5.064,359 2.957,360 1.974,361 2.626,363 5.967,364 1.932,365 3.314,366 2.04,367 4.979,368 2.847,369 1.877,370 2.466,372 5.314,373 1.809,374 3.149,375 1.903,376 4.761,377 2.678,378 1.648,379 2.307,381 4.702,382 1.685,383 2.916,384 1.582,385 4.515,386 2.522,387 1.543,388 2.062,389 4.185,390 1.509,391 2.843,392 1.472,393 4.31,394 2.377,395 1.394,396 1.923,397 3.557,398 1.367,399 2.777,400 1.447,401 3.653,402 2.32,403 1.324,404 1.857,405 3.031,406 1.316,407 2.655,408 1.216,409 3.595,410 2.167,411 1.178,412 1.709,413 2.78,414 1.163,415 2.528,416 1.122,417 3.584,418 2.045,419 1.067,420 1.507,421 2.716,422 1.041,423 18.667,424 0.479,425 0.935,426 0.024,427 52.75,428 1.353,429 26.5,430 0.679,431 26.25,432 0.673,433 35.82,434 0.918,435 39.533,436 0.581,437 44.945,438 1.152,439 10.362,440 0.266,441 8.718,442 0.224,443 0.063,445 0.386,449 0.71,450 1.287,451 0.74,452 1.001,453 0.518,454 0.891,455 0.847,456 1.037,457 0.868,458 0.869,459 0.517,460 0.856,461 0.954,462 0.997,463 0.962,464 0.976,465 0.811,466 0.965,467 0.707,468 1.026,469 0.915,470 1.024,471 0.547,472 0.996,473 0.876,474 1.012,475 0.912,476 1.011,477 0.95,478 0.974,479 1.113,480 1.069,481 0.995,482 1.062,483 1.219,484 1.023,485 1.389,486 1.04,487 1.118,488 1.081,489 1.574,490 1.077,491 1.557,492 1.002,493 1.117,494 0.973,495 1.773,496 0.998,497 6,498 0.224,499 4.222,500 3.91,501 2.248,502 1.668,503 1.266,504 0.829,505 0.536,506 0.355,507 25302,508 59288,509 2.216,510 42.6,512 21,513 2,514 1,515 1,518 4,520 1.797,521 2.108,522 3.685,523 -0.434,528 99.456,529 1.463,530 3.666,531 4.67,532 5.17,533 5.4,534 5.518,535 3.214,536 4.978,537 5.251,538 3.876,539 2871.9,540 9.281,541 46468.6,546 413.947,547 1.296,548 5.233,549 0.133,550 0.005,551 0.064,552 0.057,553 0.032,554 0.023,555 0.018,556 0.013,557 0.01,558 0.007,559 0.362,560 0.33,561 0.75,562 0.42,563 215.456,564 -0.009,565 -0.177,566 0.072,567 -0.037,568 -0.013,569 0.015,570 0.023,571 0.077,572 0.02,573 0.073,574 0.06,575 0.054,576 -0.062,577 0.031,578 -0.026,580 -0.015,581 -0.004,582 0.107,583 -0.033,584 0.037,585 -0.032,586 0.187,587 -0.007,588 0.109,589 -0.018,590 0.061,591 -0.028,592 0.036,593 0.004,594 0.017,595 -0.079,596 -0.017,597 -0.081,598 0.011,599 -0.056,600 -0.106,601 -0.068,602 -0.112,603 -0.1,604 -0.101,605 -0.108,606 -0.195,607 -0.045,608 -0.08,609 0.008,610 -0.196,611 -0.02,612 2.008,613 6.339,614 0.897,615 45.945,616 0.997,617 1.116,618 2.809,619 7.892,620 0.692,621 3.829,622 4.205,623 4.575,624 4.949,625 5.226,626 5.394,627 5.642,628 5.844,629 5.976,630 6.127,631 7.828,632 0.66,633 515.66,634 3.829,635 5.407,636 6.304,637 7.225,638 8.143,639 9.073,640 10.002,641 10.938,642 11.872,643 12.812,644 7.4,647 1,651 1,652 2,654 1,656 4,657 14,658 1,662 3,663 2,664 26,679 68,680 29,681 2,682 45,684 74,685 32,686 21,687 4,688 8,689 4,690 7,691 9,697 3,700 3,702 25,703 7,706 3,709 2,712 4,718 29,719 5,720 1,721 7,726 5,728 1,729 0.714,730 2,739 1,741 2,744 3,745 4,748 2,759 2,763 1,766 5,770 1,774 39,780 5,781 1,784 1,785 1,795 2.9,798 2,801 18.5,802 12.633,803 8.333,804 4.229,805 5.129,806 1.545,807 1.059,808 5.952,809 14.546,810 4.127,811 4.787,812 5.474,813 6.159,814 6.731,815 7.14,816 7.666,817 8.146,818 8.471,819 8.912,820 1,821 69,822 14.516,823 6.465,824 7.62,825 28.163,826 24.475,827 2.12,828 82.667,832 329.591,833 185.506,834 41.719,836 50.29,839 185.506,840 379.881,841 41.719,842 8.396,843 29.397,844 122.334,845 88.256,846 36.615,847 27.83,848 294.278,850 329.591,851 227.225,852 50.29,855 282.506,856 97.374,858 48.124,859 162.316,860 16.786,862 329.591,863 92.009,864 185.506,867 329.591,868 45.729,869 146.7,870 18.011,871 67.075,872 329.591,873 92.009,874 185.506,876 0.588,877 0.359,878 0.213,879 0.12,880 36,881 15,882 0.068,883 5,884 2,885 1.114,886 4.812,887 430.55,888 0.114,889 35,890 198.131,894 24.081,895 9.639,896 4.117,897 4.061,898 88.21,899 28.156,900 4.485,904 2.688,905 4.333,906 18.011,907 607.106,908 61,911 26.575,914 0.228,916 67.767,917 75.893,918 0.24,919 0.602,920 0.767,921 0.849,922 0.887,923 0.906,924 5.391,925 1.974,926 6.304,927 6.187,928 4.89,929 5.476,930 1.897,931 7.194,932 4.842,933 6.62,934 1.877,935 7.904,936 5.967,937 4.511,938 5.345,939 0.325,940 8.231,941 4.439,942 7.952,943 1.648,944 9.607,945 5.314,946 6.547,947 7.765,948 1.935,949 11.422,950 6.452,951 9.326,952 1.543,953 11.375,954 4.702,955 7.04,956 8.538,957 0.393,958 13.347,959 6.927,960 10.739,961 1.394,962 13.184,963 4.185,964 8.535,965 10.415,966 2.104,967 16.059,968 8.402,969 12.181,970 1.324,971 15.023,972 3.557,973 9.425,974 11.611,975 0.384,976 18.334,977 9.28,978 13.646,979 1.178,980 16.885,981 3.031,982 10.719,983 13.275,984 2.35,985 20.9,986 10.559,987 3.434,988 1.067,989 18.763,990 2.78,991 11.786,992 14.663,993 0.351,994 23.313,995 11.617,996 3.219,997 12.678,998 20.654,999 2.716,1000 13.01,1001 16.244,1002 2.642,1003 25.836,1004 12.829,1005 2.969,1006 11.457,1007 22.557,1008 4.717,1009 14.153,1010 17.715,1011 0.312,1012 28.306,1013 13.964,1014 2.704,1015 10.363,1016 24.468,1017 4.604,1018 15.357,1019 19.266,1020 2.962,1021 30.819,1022 15.159,1023 2.495,1024 8.5,1025 26.386,1026 3.945,1027 16.535,1028 20.774,1029 0.273,1030 33.314,1031 16.329,1032 2.217,1033 7.686,1034 28.31,1035 3.457,1036 17.737,1037 22.314,1038 3.298,1039 35.828,1040 17.523,1041 2.125,1042 7.198,1043 30.239,1044 3.016,1045 18.931,1046 23.838,1047 0.236,1048 38.337,1049 18.711,1050 22801,1051 35103,1052 31.035,1053 47.074,1054 70.136,1055 71.333,1056 71.263,1057 69.338,1058 69.375,1059 92.678,1060 6.178,1061 209.407,1062 67.753,1063 5.828,1064 5.839,1065 6.994,1066 5.47,1067 5.434,1068 7.717,1069 2.4,1070 20.534,1071 5.407,1072 14.388,1073 1.559,1074 1.585,1075 1.584,1076 1.541,1077 1.542,1078 2.06,1079 0.137,1080 4.653,1081 1.506,1082 4.212,1083 4.241,1084 4.181,1085 4.13,1086 7.45,1087 4.139,1088 4.102,1089 4.137,1090 4.065,1091 4.016,1092 7.408,1093 4.024,1094 3.908,1095 3.958,1096 3.835,1097 3.787,1098 4.962,1099 3.792,1100 3.782,1101 3.822,1102 3.743,1103 3.645,1104 4.892,1105 3.658,1106 3.738,1107 3.773,1108 3.637,1109 3.615,1110 4.881,1111 3.616,1112 3.444,1113 3.511,1114 3.33,1115 3.292,1116 4.356,1117 3.294,1118 3.383,1119 3.446,1120 3.287,1121 3.213,1122 4.317,1123 3.226,1124 3.17,1125 3.235,1126 3.04,1127 3.03,1128 4.214,1129 3.023,1130 0.107,1131 0.085,1132 0.16,1133 0.098,1134 0.076,1135 4.828,1136 0.105,1137 3.839,1138 0.027,1139 7.192,1140 0.282,1141 4.426,1142 0.076,1143 3.434,1144 4.717,1145 1.2,1146 12.678,1147 3.407,1148 1.968,1149 1.948,1150 2.083,1151 2.091,1152 1.434,1153 2.092,1154 1.94,1155 1.911,1156 2.038,1157 2.027,1158 1.2,1159 2.031,1160 1.877,1161 1.833,1162 2.005,1163 1.995,1164 1.146,1165 1.999,1166 1.797,1167 1.755,1168 1.938,1169 1.926,1170 1.044,1171 1.933,1172 1.681,1173 1.645,1174 1.798,1175 1.827,1176 0.946,1177 1.822,1178 1.492,1179 1.44,1180 1.654,1181 1.69,1182 0.825,1183 1.677,1184 1.299,1185 1.245,1186 1.513,1187 1.594,1188 0.794,1189 1.535,1190 1.26,1191 1.213,1192 1.506,1193 1.492,1194 0.691,1195 1.494,1196 4.511,1198 5.872,1199 3.434,1200 7.431,1201 5.938,1202 9.078,1203 8.138,1204 10.775,1206 1.965,1212 4.823,1213 2.587,1216 0.311,1217 2.454,1222 44.858,1223 99.456,1224 249.288,1225 317.529,1226 351.583,1227 367.193,1228 375.193,1229 63.491,1230 9.417,1231 75.92,1232 75.92,1233 39,1234 13.309,1235 4.907,1236 4.087,1237 50.379,1238 178,1239 229,1240 0.135,1241 266.952,1242 456.76,1243 643.123,1244 199345,1246 26.509,1247 0.68,1248 0.559,1249 26.509,1250 21.801,1251 19.081,1252 0.424,1253 0.299,1254 13.3,1255 18.516,1256 13.005,1257 10.704,1258 19.081,1259 13.449,1260 17.53,1261 0.266,1262 0.159,1263 17.53,1264 10.5,1265 15.698,1266 0.164,1267 0.085,1268 15.698,1269 8.17,1270 14.368,1271 0.103,1272 0.045,1273 14.368,1274 6.292,1275 12.105,1276 0.065,1277 0.025,1278 12.105,1279 4.594,1280 0.211,1281 118.309,1282 0.18,1283 34.804,1284 0.375,1285 222,1286 560.384,1287 237.114,1288 552.222,1289 777.99,1290 520,1291 273,1292 592.442,1293 289.671,1294 604.965,1295 899.54,1296 572,1297 5}
{0 CHEMBL31965,1 1.772,2 13.382,3 4.038,4 16.303,5 128.881,6 8.237,7 0.459,8 4.189,9 4.302,10 3.832,11 3.687,12 5.339,13 3.692,14 4.727,15 4.89,16 4.185,17 4.051,18 5.872,19 4.039,20 4.974,21 5.173,22 4.295,23 4.187,24 6.14,25 4.149,26 4.987,27 5.209,28 4.153,29 4.174,30 6.024,31 4.1,32 4.981,33 5.213,34 4.15,35 4.173,36 6.025,37 4.098,38 4.966,39 5.177,40 4.196,41 4.161,42 6.05,43 4.111,44 4.953,45 5.157,46 4.23,47 4.162,48 6.137,49 4.106,50 4.887,51 5.09,52 4.185,53 4.122,54 6.058,55 4.065,56 0.126,57 0.934,58 10.471,59 5.109,60 13.648,61 6.243,62 0.499,63 1.442,64 22.228,65 8.341,66 37.702,67 10.315,68 0.855,69 1.704,70 34.269,71 10.812,72 80.994,73 13.657,74 0.767,75 1.674,76 34.53,77 11.419,78 69.915,79 15.23,80 0.746,81 1.619,82 35.318,83 11.901,84 69.817,85 16.304,86 0.759,87 1.615,88 32.606,89 10.923,90 68.483,91 14.343,92 0.913,93 1.625,94 32.179,95 10.748,96 81.979,97 14.076,98 0.567,99 1.61,100 30.95,101 10.087,102 61.965,103 13.165,104 20,105 50,106 0.287,107 0.648,108 0.808,109 0.875,110 0.875,111 0.875,112 3.56,113 0.915,114 -4.06,115 -4.01,116 -3.8,118 40.7,120 1,124 6,130 1,131 1,136 5,137 1,138 5,140 1,141 1,142 1,149 1,161 3,163 1,164 7,166 2,168 5,169 3,172 1,173 4,175 1,177 5,179 3,182 2,183 5,185 1,187 2,189 5,192 1,193 5,195 2,196 1,197 1,200 7,202 1,203 6,205 1,208 7,210 3,211 5,214 2,216 3,217 3,219 1,220 7,224 3,226 2,228 1,229 5,233 1,235 2,238 2324,239 23.162,240 23.162,241 23.162,242 23.162,243 23.162,244 20.866,245 31.688,246 13.905,247 23.947,248 18.231,249 18.231,250 18.231,251 18.231,252 18.231,253 14.648,254 45.905,255 6.598,256 19.543,257 4.11,258 1.881,259 0.892,260 0.475,261 0.475,262 0.475,263 4.258,264 1,267 1,268 975,269 3.808,272 419.253,276 162.198,279 2.369,280 42.335,283 1,284 0.83,285 0.83,286 0.8,287 0.5,288 1,289 1,290 0.85,291 75.333,292 455,293 4.578,294 3.49,295 6.588,296 4.109,297 3.141,298 4.514,299 1.058,300 10.55,301 3.039,302 4.219,303 3.311,304 6.08,305 3.767,306 2.839,307 3.872,308 0.86,309 8.858,310 2.628,311 4.026,312 3.2,313 5.947,314 3.624,315 2.682,316 3.519,317 0.86,318 8.306,319 2.514,320 3.662,321 2.907,322 5.367,323 3.437,324 2.521,325 2.973,326 0.8,327 6.965,328 2.307,329 3.536,330 2.874,331 5.34,332 3.273,333 2.296,334 2.822,335 0.4,336 6.809,337 2.234,338 3.518,339 2.464,340 5.068,341 3.124,342 2.174,343 2.647,345 6.047,346 2.017,347 3.314,348 2.186,349 4.926,350 2.828,351 1.867,352 2.521,354 5.516,355 1.782,356 3.009,357 2.125,358 4.446,359 2.618,360 1.693,361 2.227,363 4.366,364 1.555,365 2.82,366 2.062,367 4.041,368 2.447,369 1.533,370 1.948,372 3.523,373 1.4,374 2.725,375 1.929,376 3.907,377 2.319,378 1.414,379 1.765,381 3.368,382 1.217,383 2.575,384 1.494,385 3.697,386 2.251,387 1.356,388 1.58,389 3.08,390 1.203,391 2.308,392 1.342,393 3.457,394 2.085,395 1.154,396 1.296,397 2.637,398 1.064,399 2.199,400 1.256,401 3.247,402 1.952,403 1,404 1,405 2.136,406 0.946,407 2,408 0.868,409 3.194,410 1.503,411 0.571,412 0.716,413 1.385,414 0.527,415 1.723,416 0.794,417 2.905,418 1.345,419 0.383,420 0.507,421 0.771,422 0.363,423 16,424 0.471,425 0.729,426 0.021,427 43.5,428 1.279,429 20.5,430 0.603,431 23,432 0.676,433 29.189,434 0.859,435 37.4,436 0.634,437 36.241,438 1.066,439 8.856,440 0.26,441 7.673,442 0.226,443 0.115,445 0.306,448 1,449 0.748,450 1.32,451 0.63,452 1.102,453 0.586,454 0.954,455 1.008,456 1.076,457 0.783,458 0.934,459 0.635,460 0.91,461 1.065,462 1.051,463 0.919,464 0.94,465 0.822,466 0.936,467 0.86,468 0.942,469 0.885,470 0.975,471 0.793,472 1.005,473 0.607,474 0.749,475 0.766,476 0.917,477 0.512,478 0.902,479 0.95,480 0.909,481 0.777,482 0.895,483 0.762,484 0.912,485 0.889,486 0.869,487 0.835,488 0.847,489 0.801,490 0.917,491 0.923,492 1.137,493 1.037,494 1.107,495 0.996,496 1.072,497 6.5,498 0.252,499 3.333,500 1.688,501 1.942,502 0.847,503 0.889,504 0.628,505 0.447,506 0.319,507 17155,508 54173,509 2.077,510 42.4,512 20,514 1,515 2,518 2,520 1.763,521 1.962,522 3.68,523 0.235,528 104.576,529 1.772,530 4.002,531 4.991,532 5.408,533 5.408,534 5.408,535 3.253,536 4.771,537 5.051,538 3.881,539 2176.99,540 8.882,541 34026.1,546 347.076,547 1.333,548 5.026,549 0.176,550 0.007,551 0.067,552 0.032,553 0.042,554 0.018,555 0.018,556 0.013,557 0.01,558 0.008,559 0.39,560 0.33,561 0.88,562 0.962,563 183.346,564 -0.062,565 -0.212,566 0.03,567 -0.1,568 -0.042,569 -0.021,570 -0.092,571 -0.051,572 0.002,573 0.018,574 0.023,575 0.01,576 -0.06,577 -0.05,578 0.006,579 0.02,580 0.057,581 0.012,582 -0.019,583 -0.011,584 -0.01,585 -0.013,586 -0.027,587 -0.02,588 0.126,589 0.083,590 0.111,591 0.054,592 0.107,593 0.112,594 -0.047,595 -0.014,596 0.05,597 0.055,598 -0.035,599 0.058,600 0.054,601 0.037,602 0.044,603 0.105,604 0.051,605 0.041,606 -0.084,607 -0.148,608 -0.064,609 -0.132,610 -0.047,611 -0.106,612 2.176,613 5.52,614 0.647,615 43.765,616 1.018,617 1.135,618 2.83,619 8.01,620 0.671,621 3.638,622 3.932,623 4.174,624 4.407,625 4.682,626 4.745,627 4.898,628 5.056,629 5.176,630 5.231,631 7.881,632 0.648,633 485.99,634 3.638,635 5.165,636 5.999,637 6.86,638 7.715,639 8.584,640 9.45,641 10.325,642 11.197,643 12.077,644 8.5,647 1,651 1,652 1,654 2,656 2,657 6,658 2,662 6,664 17,674 1,677 1,678 2,679 59,680 19,681 2,682 37,684 62,685 24,686 14,687 7,688 5,689 3,690 4,691 5,692 1,700 1,702 17,703 7,706 2,707 1,709 1,710 1,712 1,716 1,718 25,719 9,720 2,721 10,722 1,726 5,729 0.75,730 3,740 1,745 4,749 1,755 1,757 1,758 1,763 1,765 1,766 3,771 1,772 1,774 34,780 7,781 2,782 2,785 1,794 2,795 5.1,798 1,799 1,800 1,801 17.333,802 10.469,803 7.611,804 3.466,805 3.428,806 1.428,807 0.979,808 8.298,809 11.435,810 3.882,811 4.443,812 4.999,813 5.558,814 6.177,815 6.501,816 6.928,817 7.391,818 7.808,819 8.012,820 1,821 52,822 12.575,823 5.326,824 7.9,825 23.634,826 18.979,827 2.4,828 81.611,832 270.735,833 139,834 72.717,835 39.149,836 47.145,837 14.96,839 139,840 357.029,841 87.677,843 56.406,844 56.857,845 86.192,846 68.849,847 17.288,848 258.964,849 39.149,850 270.735,851 211.717,852 62.105,853 39.149,855 262.153,856 59.687,857 11,858 72.537,859 96.132,860 82.196,862 285.695,863 119.862,864 178.149,867 270.735,868 57.757,869 68.6,870 36.022,871 150.591,872 270.735,873 134.822,874 178.149,876 0.572,877 0.33,878 0.17,879 0.099,880 22,881 10,882 0.145,883 9,884 1,885 1.091,886 4.516,887 309.677,888 0.091,889 22,890 168.974,894 24.361,895 11.581,896 6.435,897 1.258,898 134.822,899 9.208,900 8.649,904 1.49,906 36.022,907 583.706,908 47.5,909 3.516,911 12.051,912 1.188,914 -0.366,916 60.047,917 66.971,918 0.301,919 0.68,920 0.848,921 0.919,922 0.919,923 0.919,924 5.107,925 1.693,926 5.964,927 5.516,928 4.615,929 5.13,930 2.012,931 6.732,932 4.485,933 6.29,934 1.533,935 7.495,936 4.366,937 4.111,938 4.945,939 0.325,940 7.535,941 3.918,942 7.583,943 1.414,944 9.125,945 3.523,946 6.168,947 7.319,948 1.826,949 10.626,950 5.935,951 8.912,952 1.356,953 10.813,954 3.368,955 6.479,956 7.982,957 0.268,958 12.263,959 6.191,960 10.276,961 1.154,962 12.54,963 3.08,964 7.986,965 9.841,966 1.742,967 14.865,968 7.661,969 11.663,970 1,971 14.293,972 2.637,973 8.694,974 10.914,975 0.188,976 16.873,977 8.322,978 13.07,979 0.571,980 16.065,981 2.136,982 9.967,983 12.562,984 1.707,985 19.301,986 9.561,987 3.141,988 0.383,989 17.853,990 1.385,991 10.877,992 13.844,993 0.125,994 21.484,995 10.432,996 2.839,997 10.55,998 19.653,999 0.771,1000 12.05,1001 15.4,1002 1.708,1003 23.849,1004 11.573,1005 2.682,1006 8.858,1007 21.463,1008 4.514,1009 13.062,1010 16.788,1011 0.082,1012 26.115,1013 12.553,1014 2.521,1015 8.306,1016 23.281,1017 3.872,1018 14.195,1019 18.306,1020 1.735,1021 28.461,1022 13.656,1023 2.296,1024 6.965,1025 25.106,1026 3.519,1027 15.26,1028 19.748,1029 0.054,1030 30.768,1031 14.692,1032 2.174,1033 6.809,1034 26.938,1035 2.973,1036 16.38,1037 21.251,1038 1.783,1039 33.11,1040 15.785,1041 1.867,1042 6.047,1043 28.775,1044 2.822,1045 17.473,1046 22.721,1047 0.035,1048 35.438,1049 16.851,1050 16431,1051 29467,1052 24.849,1053 39.563,1054 54.543,1055 56.393,1056 55.64,1057 54.075,1058 53.92,1059 68.647,1060 7.957,1061 149.9,1062 50.172,1063 5.578,1064 5.49,1065 6.39,1066 5.212,1067 5.141,1068 7.514,1069 2.117,1070 17.491,1071 5.039,1072 16.082,1073 1.474,1074 1.524,1075 1.504,1076 1.461,1077 1.457,1078 1.855,1079 0.215,1080 4.051,1081 1.356,1082 4.085,1083 4.116,1084 4.077,1085 3.984,1086 8.201,1087 3.998,1088 3.89,1089 3.912,1090 3.982,1091 3.82,1092 7.43,1093 3.82,1094 3.821,1095 3.884,1096 3.698,1097 3.61,1098 5.088,1099 3.621,1100 3.643,1101 3.683,1102 3.588,1103 3.462,1104 4.858,1105 3.481,1106 3.539,1107 3.588,1108 3.433,1109 3.341,1110 4.692,1111 3.348,1112 3.366,1113 3.423,1114 3.333,1115 3.198,1116 4.638,1117 3.21,1118 3.118,1119 3.206,1120 3.237,1121 2.941,1122 4.619,1123 2.945,1124 3.111,1125 3.185,1126 3.013,1127 2.926,1128 4.368,1129 2.91,1130 0.124,1131 0.094,1132 0.178,1133 0.111,1134 0.085,1135 4.578,1136 0.122,1137 3.49,1138 0.029,1139 6.588,1140 0.285,1141 4.109,1142 0.082,1143 3.141,1144 4.514,1145 1.058,1146 10.55,1147 3.039,1148 2.013,1149 1.989,1150 2.064,1151 2.132,1152 1.292,1153 2.113,1154 1.856,1155 1.836,1156 1.976,1157 1.993,1158 1.193,1159 1.991,1160 1.754,1161 1.691,1162 1.925,1163 1.949,1164 1.069,1165 1.948,1166 1.57,1167 1.53,1168 1.776,1169 1.776,1170 1.033,1171 1.761,1172 1.504,1173 1.449,1174 1.744,1175 1.733,1176 0.825,1177 1.744,1178 1.313,1179 1.26,1180 1.513,1181 1.518,1182 0.566,1183 1.509,1184 1.153,1185 1.064,1186 1.445,1187 1.376,1188 0.499,1189 1.429,1190 1.041,1191 0.983,1192 1.27,1193 1.286,1194 0.396,1195 1.276,1196 4.317,1198 5.617,1200 7.112,1202 8.701,1204 10.342,1207 5.897,1208 13.52,1212 5.554,1213 5.913,1214 11.398,1217 2.334,1222 38.257,1223 104.576,1224 236.124,1225 294.447,1226 319.076,1227 319.076,1228 319.076,1229 70.861,1230 8.007,1231 88.61,1232 88.61,1233 24,1234 12.615,1235 4.322,1236 3.524,1237 56.733,1238 157,1239 178,1240 0.172,1241 237.63,1242 417.87,1243 571.578,1244 36201,1245 3.4,1246 23.916,1247 0.703,1248 0.567,1249 23.545,1250 19.277,1251 16.529,1252 0.447,1253 0.305,1254 10.725,1255 15.417,1256 10.537,1257 8.646,1258 16.407,1259 11.282,1260 14.513,1261 0.29,1262 0.162,1263 14.426,1264 8.098,1265 12.115,1266 0.189,1267 0.088,1268 11.715,1269 5.632,1270 9.491,1271 0.117,1272 0.047,1273 9.661,1274 3.771,1275 8.113,1276 0.076,1277 0.024,1278 8.022,1279 2.575,1280 0.271,1281 108.039,1282 0.201,1283 31.727,1284 0.466,1285 174,1286 619.122,1287 211.728,1288 590.4,1289 780.17,1290 552,1291 201,1292 533.473,1293 235.802,1294 539.07,1295 789.08,1296 507,1297 5}
{0 CHEMBL377300,1 1.737,2 10.667,3 3.998,4 15.98,5 99.425,6 8.053,7 0.667,8 3.969,9 4.075,10 3.595,11 3.442,12 5.155,13 3.465,14 4.486,15 4.641,16 3.993,17 3.812,18 5.66,19 3.837,20 4.673,21 4.828,22 4.062,23 3.886,24 5.958,25 3.901,26 4.729,27 4.929,28 3.971,29 3.855,30 5.902,31 3.848,32 4.586,33 4.771,34 3.866,35 3.781,36 5.811,37 3.768,38 4.608,39 4.805,40 3.857,41 3.815,42 5.79,43 3.786,44 4.648,45 4.862,46 3.806,47 3.755,48 5.861,49 3.727,50 4.533,51 4.767,52 3.644,53 3.611,54 5.74,55 3.565,56 0.152,57 0.756,58 8.482,59 4.074,60 13.139,61 4.746,62 0.381,63 1.172,64 16.916,65 6.524,66 31.722,67 8.026,68 0.805,69 1.343,70 21.689,71 7.604,72 60.193,73 8.969,74 0.757,75 1.404,76 25.402,77 8.334,78 56.999,79 10.3,80 0.713,81 1.27,82 20.691,83 6.914,84 54.499,85 8.53,86 0.552,87 1.336,88 21.105,89 7.571,90 47.249,91 9.541,92 0.686,93 1.316,94 23.28,95 7.274,96 62.388,97 9.311,98 0.779,99 1.072,100 22.034,101 6.623,102 72.722,103 8.856,104 29,105 44,106 0.295,107 0.697,108 0.839,109 0.879,110 0.879,111 0.879,112 3.341,113 0.853,114 -4.07,115 -4.02,116 -3.81,118 41.3,119 3,124 1,125 1,136 3,137 2,138 3,141 1,142 1,145 1,146 3,157 1,161 3,163 2,164 3,168 5,169 2,172 3,173 8,175 1,177 1,179 3,182 2,183 5,189 2,192 2,193 3,195 1,197 1,200 3,203 6,205 1,207 1,208 4,211 5,214 2,217 3,220 6,222 3,224 1,226 1,229 2,231 1,233 1,235 1,238 1105,239 17.947,240 17.947,241 17.947,242 17.947,243 17.947,244 15.51,245 16.375,246 10.319,247 18.49,248 14.794,249 14.794,250 14.794,251 14.794,252 14.794,253 11.091,254 17.207,255 4.912,256 15.754,257 3.786,258 1.421,259 0.587,260 0.354,261 0.354,262 0.354,263 4.033,265 1,266 1,267 1,268 624,269 3.317,271 114.081,272 133.657,275 206.551,279 1.654,280 35.117,282 1,283 1,284 1,285 1,286 0.8,287 0.5,288 1,289 1,290 0.9,291 60.5,292 288,293 4.697,294 3.478,295 6.894,296 4.216,297 3.265,298 4.663,299 0.86,300 11.511,301 3.104,302 4.597,303 3.344,304 6.654,305 4.109,306 3.144,307 4.557,308 0.86,309 10.635,310 3.03,311 3.908,312 2.899,313 5.827,314 3.486,315 2.563,316 3.39,318 8.054,319 2.356,320 3.704,321 2.687,322 5.658,323 3.29,324 2.363,325 3.132,327 7.362,328 2.18,329 3.391,330 2.489,331 5.161,332 3.082,333 2.148,334 2.762,336 6.014,337 1.996,338 3.235,339 2.206,340 4.821,341 2.904,342 1.961,343 2.545,345 5.214,346 1.845,347 3.199,348 2.004,349 4.72,350 2.785,351 1.814,352 2.354,354 5.129,355 1.753,356 3.104,357 1.916,358 4.657,359 2.641,360 1.68,361 2.229,363 4.833,364 1.607,365 2.875,366 1.775,367 4.465,368 2.391,369 1.479,370 2.012,372 4.072,373 1.341,374 2.433,375 1.233,376 3.592,377 1.997,378 1.074,379 1.411,381 2.515,382 0.986,383 2.068,384 1.095,385 3.52,386 1.558,387 0.625,388 0.881,389 1.684,390 0.574,391 1.674,392 0.965,393 3.182,394 1.409,395 0.536,396 0.596,397 1.269,398 0.463,399 1.614,400 0.611,401 2.995,402 1.238,403 0.348,404 0.424,405 0.864,406 0.305,407 1.073,408 0.122,409 2.563,410 0.635,411 -0.28,412 -0.352,413 -0.723,414 -0.251,415 0.876,416 -0.085,417 2.351,418 0.548,419 -0.374,420 -0.453,421 -0.923,422 -0.342,423 12.386,424 0.459,425 0.822,426 0.03,427 35.25,428 1.306,429 17,430 0.63,431 18.25,432 0.676,433 22.503,434 0.833,435 29.614,436 0.644,437 26.603,438 0.985,439 7.059,440 0.261,441 5.877,442 0.218,443 0.171,445 0.436,448 1,449 0.8,450 1.164,451 0.708,452 1.113,453 0.736,454 0.933,455 0.903,456 1.076,457 0.679,458 0.96,459 0.694,460 0.797,461 1.116,462 1.081,463 0.972,464 1.018,465 1.038,466 0.972,467 1.229,468 1.071,469 0.947,470 0.944,471 1.012,472 0.892,473 1.104,474 1.029,475 1.069,476 0.969,477 1.051,478 0.995,479 1.025,480 1.204,481 1.01,482 1.114,483 1.236,484 1.07,485 1.159,486 1.065,487 1.08,488 0.979,489 1.144,490 1,491 0.938,492 0.9,493 0.978,494 0.852,495 1.049,496 0.897,497 6,498 0.139,499 3.333,500 2.799,501 1.743,502 0.896,503 0.67,504 0.505,505 0.311,506 0.2,507 8592,508 25146,509 2.075,510 41.3,511 3,512 6,513 1,514 1,515 2,516 3,517 3,520 1.702,521 1.906,522 3.355,523 0.304,525 1,528 79.908,529 1.737,530 4.102,531 4.936,532 5.17,533 5.17,534 5.17,535 2.883,536 4.533,537 4.724,538 3.526,539 1237.64,540 8.21,541 15509,543 1,545 1,546 254.084,547 1.506,548 4.668,549 0.2,550 0.009,551 0.076,552 0.064,553 0.044,554 0.025,555 0.019,556 0.015,557 0.011,558 0.01,559 0.472,560 0.33,561 1,562 1.155,563 132.838,564 -0.059,565 -0.103,566 0.044,567 -0.063,568 -0.111,569 0.001,570 -0.029,571 -0.092,572 0.187,573 0.042,574 0.015,575 0.147,576 0.049,577 -0.058,578 -0.038,579 -0.042,581 -0.063,582 -0.067,583 -0.043,584 0.059,585 0.039,586 -0.014,587 0.069,588 -0.013,589 0.062,590 -0.118,591 0.002,592 -0.032,593 -0.067,594 -0.05,595 -0.084,596 -0.068,597 -0.107,598 -0.096,599 -0.098,600 -0.101,601 -0.037,602 -0.087,603 -0.031,604 -0.041,605 -0.055,606 0.107,607 0.125,608 0.05,609 0.101,610 0.054,611 0.077,612 2.122,613 6.836,614 0.667,615 23.61,616 1.021,617 1.137,618 2.843,619 8.082,620 0.661,621 3.434,622 3.807,623 4.111,624 4.431,625 4.644,626 4.745,627 4.883,628 5.056,629 5.075,630 5.153,631 6.212,632 0.648,633 370.42,634 3.434,635 5.004,636 5.878,637 6.786,638 7.681,639 8.594,640 9.498,641 10.412,642 11.321,643 12.236,644 8.7,652 2,654 2,655 1,656 3,657 5,658 2,659 1,662 6,664 20,677 2,678 1,679 46,680 20,681 1,682 30,684 49,685 19,686 14,687 4,688 2,690 4,691 6,694 3,700 1,702 14,703 5,715 1,716 1,718 19,719 6,720 2,721 8,726 4,729 0.5,730 3,732 1,741 2,744 2,745 2,748 2,764 1,766 2,770 3,772 1,774 27,779 1,780 1,782 2,784 1,794 1,795 6.5,796 1,800 2,801 14.167,802 9.276,803 5.778,804 2.678,805 4.102,806 1.526,807 0.969,808 4.598,809 11.9,810 3.714,811 4.425,812 5.103,813 5.788,814 6.315,815 6.687,816 7.118,817 7.595,818 7.785,819 8.174,820 1,821 44,822 10.005,823 4.363,824 7.92,825 18.636,826 15.259,827 2.42,828 65.333,831 1,832 200.109,833 114.389,834 51.398,836 64.683,837 14.96,839 114.389,840 264.792,841 66.358,842 26.476,843 4.592,844 80.16,845 45.22,846 73.934,847 38.591,848 176.567,850 200.109,851 165.787,852 79.643,855 179.756,856 57.313,857 42.683,858 57.636,859 74.702,860 33.449,862 215.069,863 116.081,864 114.389,867 200.109,868 41.818,869 73.734,870 16.786,871 113.092,872 200.109,873 131.041,874 114.389,876 0.594,877 0.345,878 0.192,879 0.107,880 23,881 11,882 0.102,883 5,884 2,885 1.222,886 3.805,887 240.336,888 0.222,889 18,890 128.382,894 17.922,895 6.926,896 3.296,897 1.74,898 113.092,899 8.071,900 8.316,901 3.093,904 2.008,906 59.469,907 445.539,908 40,916 46.971,917 52.283,918 0.314,919 0.743,920 0.894,921 0.936,922 0.936,923 0.936,924 4.97,925 1.68,926 5.894,927 5.129,928 4.489,929 5.112,930 1.376,931 6.758,932 4.368,933 6.224,934 1.479,935 7.488,936 4.833,937 4.205,938 5.13,940 7.748,941 4.043,942 7.567,943 1.074,944 9.181,945 4.072,946 6.133,947 7.472,948 1.159,949 10.888,950 5.912,951 8.951,952 0.625,953 10.93,954 2.515,955 6.648,956 8.329,958 12.718,959 6.387,960 10.368,961 0.536,962 12.718,963 1.684,964 8.087,965 10.171,966 0.963,967 15.389,968 7.777,969 11.811,970 0.348,971 14.532,972 1.269,973 8.965,974 11.41,976 17.569,977 8.618,978 13.273,979 -0.28,980 16.367,981 0.864,982 10.225,983 13.06,984 0.787,985 20.078,986 9.834,987 3.265,988 -0.374,989 18.217,990 -0.723,991 11.267,992 14.468,994 22.401,995 10.837,996 3.144,997 11.511,998 20.081,999 -0.923,1000 12.462,1001 16.043,1002 0.634,1003 24.853,1004 11.989,1005 2.563,1006 10.635,1007 21.954,1008 4.663,1009 13.575,1010 17.522,1012 27.234,1013 13.061,1014 2.363,1015 8.054,1016 23.836,1017 4.557,1018 14.749,1019 19.069,1020 0.504,1021 29.667,1022 14.192,1023 2.148,1024 7.362,1025 25.725,1026 3.39,1027 15.893,1028 20.577,1030 32.073,1031 15.293,1032 1.961,1033 6.014,1034 27.619,1035 3.132,1036 17.061,1037 22.114,1038 0.395,1039 34.501,1040 16.417,1041 1.814,1042 5.214,1043 29.517,1044 2.762,1045 18.218,1046 23.635,1048 36.918,1049 17.53,1050 8254,1051 14278,1052 19.709,1053 30.415,1054 46.328,1055 47.189,1056 48.027,1057 45.947,1058 45.999,1059 61.914,1060 3.44,1061 138.311,1062 43.083,1063 5.528,1064 5.478,1065 6.421,1066 5.318,1067 5.265,1068 7.663,1069 1.72,1070 18.834,1071 5.104,1072 15.066,1073 1.544,1074 1.573,1075 1.601,1076 1.532,1077 1.533,1078 2.064,1079 0.115,1080 4.61,1081 1.436,1082 4.156,1083 4.19,1084 4.131,1085 4.041,1086 8.201,1087 4.056,1088 4.079,1089 4.12,1090 4.053,1091 3.929,1092 6.451,1093 3.957,1094 3.631,1095 3.677,1096 3.507,1097 3.424,1098 5.167,1099 3.431,1100 3.505,1101 3.546,1102 3.426,1103 3.359,1104 4.92,1105 3.365,1106 3.349,1107 3.417,1108 3.256,1109 3.142,1110 4.651,1111 3.165,1112 3.085,1113 3.164,1114 2.953,1115 2.86,1116 4.474,1117 2.869,1118 2.99,1119 3.06,1120 2.899,1121 2.81,1122 4.12,1123 2.815,1124 2.951,1125 3.025,1126 2.736,1127 2.75,1128 4.058,1129 2.736,1130 0.157,1131 0.116,1132 0.23,1133 0.141,1134 0.109,1135 4.697,1136 0.155,1137 3.478,1138 0.029,1139 6.894,1140 0.384,1141 4.216,1142 0.103,1143 3.265,1144 4.663,1145 0.86,1146 11.511,1147 3.104,1148 1.92,1149 1.905,1150 1.978,1151 2.063,1152 1.125,1153 2.026,1154 1.777,1155 1.735,1156 1.87,1157 1.973,1158 1.067,1159 1.942,1160 1.631,1161 1.59,1162 1.837,1163 1.856,1164 0.985,1165 1.854,1166 1.605,1167 1.547,1168 1.806,1169 1.792,1170 0.886,1171 1.799,1172 1.493,1173 1.438,1174 1.689,1175 1.677,1176 0.725,1177 1.693,1178 1.057,1179 1.001,1180 1.367,1181 1.331,1182 0.464,1183 1.342,1184 0.989,1185 0.926,1186 1.263,1187 1.234,1188 0.342,1189 1.233,1190 0.919,1191 0.844,1192 1.239,1193 1.172,1194 0.324,1195 1.205,1196 4.111,1198 5.468,1199 3.045,1200 7.008,1201 5.476,1202 8.639,1203 7.627,1204 10.322,1206 5.339,1208 14.836,1211 9.419,1212 0.152,1214 11.394,1216 -0.597,1222 29.828,1223 79.908,1224 188.7,1225 227.064,1226 237.819,1227 237.819,1228 237.819,1229 49.96,1230 7.798,1231 84.67,1232 84.67,1233 22,1234 12.749,1235 4.392,1236 3.459,1237 40.178,1238 99,1239 105,1240 0.199,1241 180.396,1242 299.54,1243 431.927,1244 26295,1245 2.2,1246 19.129,1247 0.708,1248 0.561,1249 18.259,1250 15.155,1251 12.936,1252 0.431,1253 0.284,1254 8.357,1255 12.22,1256 8.1,1257 6.732,1258 12.508,1259 8.532,1260 12.287,1261 0.279,1262 0.148,1263 11.866,1264 6.53,1265 10.227,1266 0.17,1267 0.071,1268 9.604,1269 4.271,1270 8.849,1271 0.107,1272 0.036,1273 8.462,1274 3.007,1275 7.175,1276 0.07,1277 0.019,1278 6.829,1279 1.933,1280 0.309,1281 82.673,1282 0.225,1283 25.677,1284 0.556,1285 148,1286 525,1287 169.761,1288 471.776,1289 645.59,1290 442,1291 178,1292 487.218,1293 201.614,1294 480.361,1295 710.57,1296 451,1297 5}
{0 CHEMBL379218,1 1.447,2 11.889,3 3.212,4 10.318,5 107.094,6 7.316,7 0.733,8 3.988,9 4.113,10 3.548,11 3.566,12 5.096,13 3.538,14 4.486,15 4.649,16 3.875,17 3.946,18 5.513,19 3.897,20 4.722,21 4.921,22 3.882,23 4.052,24 5.728,25 3.964,26 4.797,27 5.045,28 3.741,29 3.999,30 5.685,31 3.879,32 4.677,33 4.916,34 3.705,35 3.912,36 5.619,37 3.805,38 4.661,39 4.897,40 3.667,41 3.85,42 5.636,43 3.748,44 4.59,45 4.847,46 3.557,47 3.746,48 5.517,49 3.64,50 4.42,51 4.66,52 3.467,53 3.656,54 5.379,55 3.548,56 0.07,57 0.719,58 10.103,59 4.355,60 11.923,61 5.765,62 0.115,63 1.123,64 17.865,65 7.253,66 18.259,67 9.74,68 0.292,69 1.358,70 24.012,71 9.183,72 34.729,73 12.615,74 0.244,75 1.398,76 27.58,77 10.137,78 34.748,79 14.244,80 0.171,81 1.263,82 23.926,83 8.953,84 31.875,85 12.626,86 0.236,87 1.23,88 23.868,89 8.561,90 36.542,91 11.871,92 0.274,93 1.148,94 22.792,95 7.822,96 32.595,97 11.064,98 0.24,99 0.97,100 18.622,101 6.861,102 27.527,103 9.772,104 5,105 41,106 0.242,107 0.6,108 0.775,109 0.866,110 0.875,111 0.875,112 3.339,113 0.901,114 -3.58,115 -3.55,116 -3.39,118 44.9,119 1,120 1,124 1,125 1,136 9,137 4,138 1,139 2,140 1,146 1,154 1,155 1,156 1,159 1,161 13,164 4,168 3,169 16,171 1,172 1,173 7,174 1,175 1,177 3,179 12,181 1,183 5,187 4,189 5,190 2,193 7,197 4,200 3,201 3,203 6,204 1,205 1,207 3,208 3,209 2,210 1,211 3,214 1,216 1,217 4,218 1,219 1,220 3,222 1,224 2,226 7,227 2,229 2,233 2,235 9,237 2,238 1140,239 18.516,240 18.516,241 18.516,242 18.516,243 18.516,244 15.922,245 11.017,246 11.088,247 18.793,248 14.842,249 14.842,250 14.842,251 14.842,252 14.842,253 11.035,254 9.41,255 5.322,256 15.279,257 4.168,258 2.027,259 0.98,260 0.439,261 0.383,262 0.383,263 4.04,265 1,266 1,267 1,268 708,269 3.082,271 66.035,272 258.152,275 112.937,279 1.901,280 16.253,282 1,283 1,284 1,285 1,286 0.6,287 0.5,288 1,289 1,290 0.87,291 57,292 321,293 4.558,294 3.148,295 6.522,296 4.089,297 3.103,298 4.51,299 0.86,300 10.231,301 3.059,302 4.184,303 2.981,304 6.117,305 3.779,306 2.802,307 3.816,309 8.979,310 2.739,311 3.927,312 2.815,313 5.492,314 3.615,315 2.626,316 3.455,318 7.41,319 2.599,320 3.686,321 2.599,322 5.309,323 3.3,324 2.353,325 3.098,327 6.836,328 2.216,329 3.314,330 2.205,331 4.952,332 3.058,333 2.084,334 2.648,336 5.447,337 2.026,338 3.253,339 2.012,340 4.792,341 2.848,342 1.878,343 2.357,345 5.404,346 1.818,347 2.968,348 1.623,349 4.355,350 2.481,351 1.521,352 2.167,354 4.156,355 1.458,356 2.815,357 1.492,358 4.01,359 2.397,360 1.405,361 1.922,363 3.18,364 1.392,365 2.703,366 1.275,367 3.586,368 2.193,369 1.233,370 1.795,372 3.019,373 1.181,374 2.571,375 1.111,376 3.486,377 2.041,378 1.084,379 1.605,381 2.546,382 1.034,383 2.5,384 1,385 3.247,386 2,387 1,388 1.5,389 2.136,390 1,391 2.111,392 0.986,393 3.223,394 1.642,395 0.654,396 0.939,397 1.552,398 0.645,399 1.715,400 0.714,401 3.098,402 1.467,403 0.574,404 0.638,405 1.347,406 0.507,407 1.053,408 0.08,409 2.629,410 0.786,411 -0.187,412 -0.217,413 -0.455,414 -0.182,415 1.01,416 -0.208,417 2.514,418 0.631,419 -0.353,420 -0.461,421 -0.856,422 -0.345,423 12.933,424 0.479,425 0.571,426 0.021,427 37.25,428 1.38,429 20.5,430 0.759,431 16.75,432 0.62,433 19.934,434 0.738,435 27.867,436 0.569,437 25.777,438 0.955,439 7.475,440 0.277,441 5.712,442 0.212,443 0.07,445 0.309,449 0.899,450 1.021,451 0.817,452 0.944,453 1.072,454 0.88,455 1.154,456 1.117,457 0.91,458 1.003,459 0.977,460 0.945,461 1.128,462 1.059,463 1.091,464 1.082,465 1.077,466 1.087,467 1.183,468 1,469 1.022,470 1.002,471 1.011,472 1,473 1.022,474 1.081,475 0.974,476 1.064,477 1.01,478 1.021,479 1.371,480 1.093,481 1.056,482 1.072,483 1.268,484 1.044,485 1.275,486 0.887,487 0.986,488 0.898,489 1.104,490 0.909,491 0.839,492 0.978,493 0.937,494 0.981,495 0.847,496 0.974,497 5,498 0.129,499 2.667,500 1.417,501 1.142,502 0.663,503 0.415,504 0.333,505 0.152,506 0.143,507 10189,508 24084,509 2.142,510 44.9,512 12,514 2,515 3,516 3,517 2,520 1.696,521 2.051,522 3.544,523 0.872,524 1,525 1,528 70.906,529 1.447,530 3.587,531 4.634,532 5.176,533 5.232,534 5.232,535 2.967,536 4.459,537 4.728,538 3.729,539 1308.79,540 8.18,541 17472.8,543 1,545 1,546 275.121,547 1.218,548 4.706,549 0.167,550 0.007,551 0.065,552 0.036,553 0.035,554 0.021,555 0.014,556 0.012,557 0.006,558 0.007,559 0.369,560 0.33,561 1,562 0.454,563 136.221,564 0.02,565 0.112,566 0.046,567 0.055,568 -0.126,569 0.055,570 -0.092,571 -0.059,572 0.003,573 -0.006,574 -0.057,575 0.007,576 0.027,577 -0.044,578 -0.137,579 -0.1,580 -0.024,581 -0.131,582 -0.093,583 -0.055,584 -0.024,585 -0.018,586 -0.059,587 -0.014,588 -0.024,589 -0.116,590 0.008,591 -0.08,592 0.043,593 -0.038,594 -0.059,595 -0.128,596 -0.048,597 -0.104,598 -0.04,599 -0.082,600 -0.014,601 0.086,602 0.039,603 0.055,604 -0.017,605 0.053,606 0.203,607 -0.01,608 0.052,609 -0.001,610 0.156,611 0.007,612 1.402,613 2.392,614 0.778,615 26.617,616 0.994,617 1.121,618 2.351,619 5.529,620 0.68,621 3.434,622 3.738,623 3.989,624 4.234,625 4.431,626 4.431,627 4.575,628 4.691,629 4.7,630 4.754,631 7.121,632 0.644,633 358.48,634 3.434,635 4.963,636 5.802,637 6.666,638 7.52,639 8.388,640 9.25,641 10.121,642 10.987,643 11.861,644 8.2,645 1,652 1,654 2,656 2,657 11,658 2,659 1,662 5,664 22,677 1,679 49,680 22,681 2,682 30,684 52,685 22,686 18,687 4,688 8,690 4,691 5,694 1,700 2,702 18,703 4,715 1,718 22,719 4,720 3,721 5,726 4,729 0.75,730 1,737 1,739 1,744 1,745 3,748 1,760 1,766 3,770 1,774 27,775 1,780 2,782 1,784 1,795 2,800 1,801 13.167,802 8.9,803 5.917,804 2.817,805 4.037,806 1.536,807 1.013,808 5.079,809 11.562,810 3.738,811 4.36,812 4.967,813 5.569,814 6.099,815 6.345,816 6.814,817 7.251,818 7.491,819 7.833,820 0.875,821 39,822 9.933,823 4.168,824 7.574,825 19.228,826 15.774,827 2.074,828 56,831 1,832 223.651,833 141.607,834 83.009,836 11,839 141.607,840 234.651,841 83.009,842 8.825,843 40.024,844 85.286,845 56.991,846 65.275,847 2.757,848 200.109,850 223.651,851 224.616,852 11,855 200.109,856 34.542,858 85.751,859 105.416,860 33.449,862 223.651,863 94.009,864 141.607,867 223.651,868 29.401,869 112.206,870 16.663,871 77.346,872 223.651,873 94.009,874 141.607,876 0.577,877 0.331,878 0.178,879 0.096,880 20,881 8,882 0.115,883 6,884 1,885 1.095,886 4.061,887 224.352,888 0.095,889 21,890 124.382,894 17.564,895 7.808,896 4.12,897 2.076,898 77.346,899 21.95,900 8.598,901 3.015,904 5.077,906 49.56,907 459.267,908 41,916 48.687,917 54.939,918 0.258,919 0.639,920 0.825,921 0.922,922 0.932,923 0.932,924 4.945,925 1.405,926 5.765,927 4.156,928 4.419,929 5.047,930 0.908,931 6.532,932 4.366,933 6.147,934 1.233,935 7.292,936 3.18,937 3.892,938 4.745,940 7.322,941 3.829,942 7.44,943 1.084,944 8.917,945 3.019,946 5.969,947 7.273,948 0.739,949 10.409,950 5.875,951 8.772,952 1,953 10.601,954 2.546,955 6.275,956 7.851,958 12.058,959 6.174,960 10.136,961 0.654,962 12.324,963 2.136,964 7.793,965 9.808,966 0.593,967 14.635,968 7.669,969 11.526,970 0.574,971 14.074,972 1.552,973 8.5,974 10.831,976 16.652,977 8.369,978 12.935,979 -0.187,980 15.846,981 1.347,982 9.777,983 12.53,984 0.469,985 19.049,986 9.628,987 3.103,988 -0.353,989 17.633,990 -0.455,991 10.685,992 13.787,994 21.228,995 10.527,996 2.802,997 10.231,998 19.432,999 -0.856,1000 11.857,1001 15.367,1002 0.366,1003 23.563,1004 11.684,1005 2.626,1006 8.979,1007 21.243,1008 4.51,1009 12.866,1010 16.744,1012 25.813,1013 12.682,1014 2.353,1015 7.41,1016 23.061,1017 3.816,1018 13.995,1019 18.273,1020 0.283,1021 28.128,1022 13.797,1023 2.084,1024 6.836,1025 24.887,1026 3.455,1027 15.054,1028 19.71,1030 30.411,1031 14.845,1032 1.878,1033 5.447,1034 26.718,1035 3.098,1036 16.168,1037 21.219,1038 0.217,1039 32.721,1040 15.946,1041 1.521,1042 5.404,1043 28.555,1044 2.648,1045 17.254,1046 22.687,1048 35.021,1049 17.019,1050 9503,1051 14739,1052 20.572,1053 33.33,1054 45.076,1055 44.903,1056 45.31,1057 44.601,1058 44.634,1059 60.899,1060 1.72,1061 124.484,1062 43.349,1063 5.452,1064 5.148,1065 6.324,1066 5.149,1067 5.103,1068 7.51,1069 1.72,1070 16.757,1071 5.059,1072 9.54,1073 1.503,1074 1.497,1075 1.51,1076 1.487,1077 1.488,1078 2.03,1079 0.057,1080 4.149,1081 1.445,1082 4.123,1083 4.16,1084 4.088,1085 4.034,1086 5.096,1087 4.042,1088 3.932,1089 3.967,1090 3.856,1091 3.866,1092 5.023,1093 3.858,1094 3.841,1095 3.877,1096 3.794,1097 3.716,1098 4.909,1099 3.731,1100 3.574,1101 3.639,1102 3.448,1103 3.407,1104 4.735,1105 3.407,1106 3.401,1107 3.464,1108 3.299,1109 3.254,1110 4.399,1111 3.255,1112 3.061,1113 3.131,1114 2.932,1115 2.901,1116 4.296,1117 2.902,1118 2.983,1119 3.062,1120 2.838,1121 2.802,1122 3.905,1123 2.798,1124 2.854,1125 2.939,1126 2.687,1127 2.735,1128 3.753,1129 2.715,1130 0.152,1131 0.105,1132 0.217,1133 0.136,1134 0.103,1135 4.558,1136 0.15,1137 3.148,1138 0.029,1139 6.522,1140 0.341,1141 4.089,1142 0.102,1143 3.103,1144 4.51,1145 0.86,1146 10.231,1147 3.059,1148 1.988,1149 1.969,1150 2.067,1151 2.062,1152 1.258,1153 2.063,1154 1.924,1155 1.894,1156 2.055,1157 2.013,1158 1.213,1159 2.03,1160 1.735,1161 1.707,1162 1.849,1163 1.87,1164 0.967,1165 1.866,1166 1.544,1167 1.484,1168 1.765,1169 1.772,1170 0.899,1171 1.761,1172 1.49,1173 1.415,1174 1.697,1175 1.736,1176 0.733,1177 1.733,1178 1.05,1179 1.006,1180 1.306,1181 1.289,1182 0.496,1183 1.293,1184 0.965,1185 0.894,1186 1.231,1187 1.222,1188 0.249,1189 1.243,1190 0.886,1191 0.821,1192 1.181,1193 1.134,1194 0.218,1195 1.143,1196 4.111,1198 5.416,1199 2.398,1200 6.911,1201 4.727,1202 8.488,1203 6.804,1204 10.11,1206 2.019,1210 6.214,1212 1.226,1214 5.892,1216 -0.069,1222 31.542,1223 70.906,1224 175.783,1225 227.082,1226 253.611,1227 256.366,1228 256.366,1229 36.184,1230 7.525,1231 76.82,1232 76.82,1233 23,1234 12.403,1235 4.524,1236 3.585,1237 40.45,1238 116,1239 112,1240 0.167,1241 194.128,1242 322.51,1243 465.432,1244 20952,1246 18.64,1247 0.69,1248 0.564,1249 18.64,1250 15.222,1251 13.187,1252 0.44,1253 0.3,1254 8.921,1255 12.815,1256 8.673,1257 7.231,1258 13.187,1259 9.013,1260 11.767,1261 0.287,1262 0.165,1263 11.767,1264 6.751,1265 9.831,1266 0.185,1267 0.087,1268 9.831,1269 4.596,1270 8.13,1271 0.12,1272 0.046,1273 8.13,1274 3.152,1275 6.568,1276 0.079,1277 0.025,1278 6.568,1279 2.103,1280 0.269,1281 81.725,1282 0.22,1283 26.422,1284 0.44,1285 142,1286 362.671,1287 151.399,1288 360.498,1289 504.89,1290 340,1291 165,1292 381.652,1293 175.176,1294 391.422,1295 565.42,1296 368,1297 5}
{0 CHEMBL384304,1 1.968,2 12.033,3 1.658,4 2.749,5 109.44,6 8.657,7 0.375,8 4.056,9 4.16,10 3.858,11 3.537,12 5.251,13 3.538,14 4.617,15 4.777,16 4.158,17 3.908,18 5.995,19 3.907,20 4.88,21 5.061,22 4.271,23 4.064,24 6.262,25 4.058,26 4.97,27 5.157,28 4.23,29 4.054,30 6.454,31 4.03,32 4.944,33 5.176,34 4.081,35 3.955,36 6.289,37 3.925,38 4.789,39 5.011,40 4.025,41 3.819,42 6.221,43 3.798,44 4.649,45 4.869,46 3.851,47 3.69,48 6.013,49 3.657,50 4.55,51 4.811,52 3.677,53 3.553,54 5.847,55 3.48,56 0.25,57 0.925,58 11.052,59 4.708,60 37.82,61 5.191,62 0.752,63 1.413,64 22.484,65 8.115,66 88.598,67 9.215,68 1.11,69 1.841,70 31.381,71 9.87,72 161.414,73 11.228,74 1.469,75 1.667,76 34.955,77 10.782,78 211.429,79 12.687,80 1.361,81 1.548,82 35.038,83 9.377,84 196.719,85 12.633,86 1.248,87 1.518,88 28.584,89 7.928,90 153.265,91 10.233,92 0.992,93 1.329,94 24.279,95 6.467,96 138.479,97 8.546,98 0.894,99 1.003,100 23.773,101 6.066,102 111.734,103 8.642,104 69,105 47,106 0.331,107 0.676,108 0.829,109 0.842,110 0.842,111 0.842,112 3.44,113 1.019,114 -3.31,115 -3.3,116 -3.16,118 35.3,120 2,123 2,124 2,125 1,136 2,137 2,138 3,139 1,141 1,144 1,148 1,154 1,155 1,156 1,161 1,163 4,164 8,165 1,166 3,168 3,169 3,171 1,173 1,179 1,182 3,183 12,184 2,185 3,186 1,187 2,188 1,189 1,190 1,193 1,200 1,202 4,203 2,204 1,205 4,207 4,208 2,209 3,211 2,216 1,218 1,219 4,220 3,221 1,222 2,224 1,226 2,233 1,238 1404,239 19.342,240 19.342,241 19.342,242 19.342,243 19.342,244 17.325,245 28.462,246 10.889,247 19.929,248 15.638,249 15.638,250 15.638,251 15.638,252 15.638,253 12.464,254 46.697,255 5.013,256 16.573,257 3.704,258 1.649,259 0.735,260 0.657,261 0.657,262 0.657,263 4.112,266 1,267 1,268 752,269 3.937,272 332.07,279 2.036,280 65.262,283 1,284 0.83,285 1,286 1,287 0.5,288 1,289 1,290 0.9,291 69.5,292 361,293 4.743,294 4.375,295 7.111,296 4.249,297 3.314,298 4.51,299 0.86,300 11.657,301 3.193,302 4.595,303 3.717,304 6.92,305 4.226,306 3.243,307 4.285,308 0.4,309 11.501,310 3.08,311 4.244,312 3.251,313 6.261,314 3.809,315 2.864,316 3.903,317 0.4,318 9.202,319 2.703,320 3.772,321 2.89,322 5.617,323 3.525,324 2.57,325 3.108,327 7.656,328 2.448,329 3.566,330 2.731,331 5.526,332 3.213,333 2.282,334 2.855,336 6.9,337 2.114,338 3.386,339 2.587,340 5.13,341 3.061,342 2.128,343 2.497,345 6.205,346 1.961,347 3.166,348 2.296,349 4.864,350 2.77,351 1.819,352 2.337,354 5.123,355 1.719,356 2.861,357 2.14,358 4.559,359 2.477,360 1.555,361 1.994,363 4.586,364 1.426,365 2.722,366 1.917,367 4.364,368 2.391,369 1.451,370 1.712,372 3.838,373 1.354,374 2.543,375 1.403,376 3.818,377 2.017,378 1.048,379 1.472,381 2.607,382 0.999,383 2,384 1.245,385 3.414,386 1.984,387 1,388 1,389 2.275,390 0.983,391 1.775,392 1.077,393 3.128,394 1.464,395 0.595,396 0.674,397 1.014,398 0.509,399 1.383,400 0.921,401 2.992,402 1.099,403 0.185,404 0.208,405 0.474,406 0.164,407 1.301,408 0.586,409 2.793,410 0.919,411 0.036,412 0.042,413 0.076,414 0.031,415 1,416 0.362,417 2.655,418 0.696,419 -0.24,420 -0.285,421 -0.539,422 -0.222,423 13.738,424 0.458,425 1.06,426 0.035,427 38,428 1.267,429 18,430 0.6,431 20,432 0.667,433 25.976,434 0.866,435 34.862,436 0.684,437 33.238,438 1.108,439 7.42,440 0.247,441 6.692,442 0.223,443 0.216,444 0.061,445 0.357,448 2,449 0.631,450 1.282,451 0.76,452 1.34,453 0.622,454 1.008,455 0.716,456 0.968,457 0.896,458 1.037,459 0.555,460 0.879,461 1.008,462 1.075,463 1.059,464 1.089,465 0.895,466 0.971,467 0.913,468 0.983,469 1.071,470 1.095,471 0.971,472 1.102,473 0.9,474 0.937,475 0.812,476 0.832,477 0.928,478 0.901,479 0.92,480 0.954,481 0.894,482 0.826,483 0.947,484 0.957,485 1.1,486 1.152,487 1.008,488 1.011,489 1.059,490 1.137,491 0.675,492 0.664,493 0.823,494 0.699,495 0.714,496 0.877,497 8,498 0.198,499 4.444,500 2.938,501 2.2,502 1.347,503 0.709,504 0.602,505 0.32,506 0.276,507 11502,508 44179,509 1.948,510 41.2,512 13,514 1,515 3,518 4,520 1.725,521 1.756,522 3.497,523 1.032,525 1,528 100.387,529 1.968,530 4.023,531 4.937,532 5.015,533 5.015,534 5.015,535 2.944,536 4.282,537 4.877,538 3.762,539 1636.3,540 8.489,541 23148.3,543 1,545 1,546 289.294,547 1.731,548 4.788,549 0.25,550 0.008,551 0.095,552 0.058,553 0.047,554 0.033,555 0.019,556 0.02,557 0.013,558 0.011,559 0.553,560 0.33,561 0.88,562 0.933,563 155.478,564 -0.03,565 -0.177,566 0.16,567 -0.107,568 -0.087,569 0.008,570 0.053,571 0.009,572 0.035,573 0.028,574 0.125,575 0.1,576 -0.111,577 -0.065,578 -0.093,579 -0.057,580 -0.001,581 -0.001,582 0.05,583 -0.055,584 -0.129,585 -0.126,586 0.029,587 -0.141,588 -0.02,589 -0.113,590 0.062,591 0.018,592 -0.027,593 0.077,594 0.067,595 0.07,596 -0.015,597 0.025,598 -0.012,599 -0.027,600 -0.118,601 -0.055,602 -0.13,603 -0.13,604 -0.119,605 -0.199,606 0.093,607 0.144,608 0.096,609 0.127,610 0.022,611 0.084,612 4.15,613 6.204,614 0.6,615 31.387,616 1.037,617 1.15,618 2.083,619 4.337,620 0.651,621 3.497,622 3.871,623 4.111,624 4.317,625 4.511,626 4.564,627 4.575,628 4.644,629 4.718,630 4.796,631 7.355,632 0.64,633 441.51,634 3.497,635 5.069,636 5.922,637 6.817,638 7.686,639 8.581,640 9.455,641 10.349,642 11.226,643 12.121,644 9.8,647 1,648 1,649 1,654 2,657 3,658 2,662 7,664 12,668 1,673 1,674 1,677 1,678 2,679 51,680 15,681 1,682 32,684 53,685 18,686 10,687 4,688 2,689 1,690 3,691 3,697 3,700 3,702 11,703 7,706 3,708 1,709 3,712 1,715 1,716 2,718 21,719 11,720 3,721 12,722 1,726 5,729 1,730 4,740 1,745 3,766 3,768 1,770 2,772 2,774 30,775 1,778 1,780 4,781 1,782 1,784 1,785 1,794 2,795 7.8,798 3,800 1,801 17.083,802 9.636,803 6.5,804 2.792,805 2.409,806 1.325,807 0.964,808 6.558,809 9.829,810 3.738,811 4.369,812 4.828,813 5.317,814 5.786,815 5.979,816 6.19,817 6.475,818 6.767,819 7.01,820 0.875,821 51,822 11.441,823 5.311,824 8.386,825 20.279,826 16.719,827 2.886,828 86.583,832 211.88,833 100.378,834 85.998,836 80.458,837 29.92,838 5.807,839 94.571,840 292.338,841 115.918,842 18.073,843 9.28,844 57.657,845 137.944,846 51.422,847 34.147,848 200.109,850 211.88,851 180.568,852 110.378,853 5.807,855 194.716,856 127.542,858 21.746,859 107.241,860 57.389,862 241.8,863 166.455,864 100.378,866 5.807,867 211.88,868 48.498,869 47.592,870 18.011,871 176.846,872 211.88,873 196.376,874 100.378,876 0.6,877 0.353,878 0.176,879 0.092,880 22,881 12,882 0.113,883 6,885 1,886 3.95,887 262.295,889 18,890 141.207,893 1,894 22.35,895 8.803,896 4.885,898 196.376,899 3.122,900 8.079,904 -3.545,906 50.908,907 508.634,908 41,910 -3.234,911 35.878,914 -0.908,916 52.872,917 58.665,918 0.347,919 0.709,920 0.87,921 0.884,922 0.884,923 0.884,924 5.017,925 1.555,926 5.974,927 5.123,928 4.554,929 5.056,930 1.138,931 6.849,932 4.445,933 6.272,934 1.451,935 7.593,936 4.586,937 4.443,938 5.255,940 8.048,941 4.27,942 7.638,943 1.048,944 9.32,945 3.838,946 6.267,947 7.361,948 0.787,949 11.074,950 6.069,951 9.04,952 1,953 11.108,954 2.607,955 6.909,956 8.315,958 13.036,959 6.65,960 10.475,961 0.595,962 12.935,963 2.275,964 8.296,965 10.011,966 0.602,967 15.667,968 8.011,969 11.932,970 0.185,971 14.788,972 1.014,973 9.247,974 11.263,976 17.92,977 8.91,978 13.406,979 0.036,980 16.661,981 0.474,982 10.489,983 12.824,984 0.471,985 20.427,986 10.119,987 3.314,988 -0.24,989 18.549,990 0.076,991 11.57,992 14.2,994 22.795,995 11.154,996 3.243,997 11.657,998 20.449,999 -0.539,1000 12.763,1001 15.712,1002 0.367,1003 25.261,1004 12.311,1005 2.864,1006 11.501,1007 22.358,1008 4.51,1009 13.9,1010 17.143,1012 27.675,1013 13.404,1014 2.57,1015 9.202,1016 24.274,1017 4.285,1018 15.08,1019 18.636,1020 0.283,1021 30.127,1022 14.546,1023 2.282,1024 7.656,1025 26.196,1026 3.903,1027 16.24,1028 20.094,1030 32.561,1031 15.665,1032 2.128,1033 6.9,1034 28.123,1035 3.108,1036 17.419,1037 21.58,1038 0.217,1039 35.01,1040 16.804,1041 1.819,1042 6.205,1043 30.054,1044 2.855,1045 18.591,1046 23.052,1048 37.452,1049 17.936,1050 11404,1051 22526,1052 19.997,1053 33.222,1054 48.236,1055 51.698,1056 51.032,1057 48.197,1058 48.177,1059 61.194,1060 3.32,1061 146.229,1062 45.367,1063 5.743,1064 6.375,1065 6.654,1066 5.318,1067 5.314,1068 7.51,1069 1.72,1070 19.141,1071 5.193,1072 20.517,1073 1.507,1074 1.616,1075 1.595,1076 1.506,1077 1.506,1078 1.912,1079 0.104,1080 4.57,1081 1.418,1082 4.045,1083 4.06,1084 4.722,1085 3.973,1086 8.239,1087 3.916,1088 3.977,1089 3.98,1090 3.982,1091 3.883,1092 8.161,1093 3.844,1094 3.821,1095 3.856,1096 3.801,1097 3.667,1098 7.716,1099 3.68,1100 3.658,1101 3.68,1102 3.605,1103 3.544,1104 7.427,1105 3.507,1106 3.265,1107 3.323,1108 3.187,1109 3.006,1110 6.999,1111 3.04,1112 3.214,1113 3.257,1114 3.118,1115 2.958,1116 5.181,1117 2.98,1118 3.111,1119 3.206,1120 2.899,1121 2.941,1122 4.761,1123 2.91,1124 3.026,1125 3.126,1126 2.866,1127 2.753,1128 4.721,1129 2.768,1130 0.148,1131 0.137,1132 0.222,1133 0.133,1134 0.104,1135 4.743,1136 0.141,1137 4.375,1138 0.027,1139 7.111,1140 0.364,1141 4.249,1142 0.1,1143 3.314,1144 4.51,1145 0.86,1146 11.657,1147 3.193,1148 1.916,1149 1.901,1150 2.027,1151 2.073,1152 1.414,1153 2.087,1154 1.878,1155 1.863,1156 1.954,1157 2.019,1158 1.07,1159 2.007,1160 1.721,1161 1.692,1162 1.782,1163 1.902,1164 0.964,1165 1.887,1166 1.575,1167 1.568,1168 1.598,1169 1.726,1170 0.825,1171 1.781,1172 1.19,1173 1.12,1174 1.563,1175 1.515,1176 0.786,1177 1.527,1178 1.153,1179 1.065,1180 1.513,1181 1.376,1182 0.569,1183 1.429,1184 1.108,1185 1.064,1186 1.324,1187 1.375,1188 0.53,1189 1.362,1190 0.94,1191 0.856,1192 1.188,1193 1.283,1194 0.166,1195 1.26,1196 4.174,1198 5.533,1200 7.084,1202 8.719,1204 10.395,1206 2.391,1208 27.806,1210 5.867,1212 1.813,1213 3.049,1214 4.952,1216 -0.079,1217 1.392,1222 32.661,1223 100.387,1224 205.181,1225 251.784,1226 255.784,1227 255.784,1228 255.784,1229 108.01,1230 7.419,1231 127.51,1232 135.89,1233 18,1234 12.65,1235 4,1236 3.322,1237 55.609,1238 135,1239 120,1240 0.206,1241 204.244,1242 363.41,1243 490.116,1244 16548,1245 3.9,1246 22.052,1247 0.735,1248 0.572,1249 20.561,1250 17.17,1251 14.112,1252 0.441,1253 0.34,1254 8.965,1255 12.484,1256 8.611,1257 7.094,1258 14.185,1259 10.872,1260 13.658,1261 0.291,1262 0.188,1263 14.002,1264 8.823,1265 10.931,1266 0.182,1267 0.102,1268 10.682,1269 6.126,1270 8.673,1271 0.117,1272 0.055,1273 8.531,1274 4.077,1275 6.563,1276 0.073,1277 0.031,1278 6.387,1279 2.767,1280 0.328,1281 100.154,1282 0.224,1283 28.5,1284 0.551,1285 158,1286 680.605,1287 217.65,1288 611.287,1289 791.61,1290 560,1291 186,1292 529.952,1293 252.213,1294 553.056,1295 803.79,1296 514,1297 5}
{0 CHEMBL386051,1 1.798,2 11.517,3 5.639,4 31.799,5 120.773,6 9.853,7 0.563,8 3.925,9 4.019,10 3.771,11 3.606,12 5.109,13 3.562,14 4.407,15 4.542,16 4.162,17 3.993,18 5.588,19 3.932,20 4.606,21 4.736,22 4.319,23 4.134,24 5.827,25 4.071,26 4.7,27 4.859,28 4.382,29 4.114,30 5.972,31 4.039,32 4.663,33 4.826,34 4.251,35 4.029,36 5.964,37 3.963,38 4.617,39 4.812,40 4.146,41 3.951,42 5.833,43 3.877,44 4.534,45 4.731,46 3.974,47 3.865,48 5.693,49 3.748,50 4.302,51 4.512,52 3.657,53 3.654,54 5.367,55 3.54,56 0.062,57 0.634,58 4.901,59 3.483,60 5.832,61 3.942,62 0.276,63 1.063,64 15.091,65 6.695,66 15.962,67 7.366,68 0.221,69 1.204,70 18.348,71 7.991,72 22.414,73 8.664,74 0.529,75 1.319,76 26.419,77 8.739,78 55.763,79 9.068,80 0.52,81 1.234,82 26.674,83 8.87,84 54.382,85 9.532,86 0.468,87 1.253,88 20.133,89 7.782,90 48.556,91 8.535,92 0.517,93 1.032,94 30.247,95 8.419,96 52.307,97 9.549,98 0.234,99 0.934,100 15.167,101 6.238,102 23.228,103 7.134,104 27,105 46,106 0.306,107 0.663,108 0.793,109 0.86,110 0.867,111 0.867,112 3.408,113 1.001,114 -6.15,115 -6,116 -5.57,118 46.7,123 2,131 1,132 1,136 7,137 2,138 4,139 1,141 1,144 1,149 1,161 7,163 3,164 5,166 2,168 2,169 14,173 6,177 1,179 10,182 2,183 7,185 1,187 3,189 9,193 12,197 1,200 5,202 1,203 8,205 1,207 1,208 3,211 9,216 1,217 3,220 6,226 5,229 1,233 4,235 5,238 1246,239 19.524,240 19.524,241 19.524,242 19.524,243 19.524,244 17.033,245 23.154,246 11.236,247 20.289,248 15.691,249 15.691,250 15.691,251 15.691,252 15.691,253 11.815,254 34.898,255 5.237,256 16.867,257 3.694,258 1.593,259 0.826,260 0.434,261 0.389,262 0.389,263 4.103,264 2,267 1,268 722,269 2.739,272 329.857,276 122.501,279 2.017,280 28.142,283 0.75,284 0.83,285 1,286 0.4,288 1,289 1,290 0.71,291 61.667,292 334,293 4.617,294 4.328,295 6.941,296 4.258,297 3.291,298 4.242,299 2.95,300 11.619,301 3.179,302 4.313,303 3.774,304 6.527,305 3.892,306 2.96,307 3.954,308 1.2,309 10.134,310 2.743,311 4.085,312 3.302,313 5.799,314 3.67,315 2.723,316 3.675,317 0.4,318 8.007,319 2.573,320 3.83,321 2.961,322 5.644,323 3.395,324 2.452,325 3.239,326 0.293,327 7.49,328 2.3,329 3.507,330 2.726,331 5.26,332 3.132,333 2.187,334 2.79,336 6.636,337 2.041,338 3.335,339 2.623,340 5.209,341 2.937,342 1.988,343 2.508,345 6.011,346 1.865,347 3.232,348 2.463,349 4.841,350 2.779,351 1.879,352 2.481,354 5.36,355 1.701,356 3.221,357 2.171,358 4.805,359 2.707,360 1.851,361 2.468,363 5.104,364 1.441,365 2.811,366 2.065,367 4.159,368 2.327,369 1.336,370 1.93,372 3.353,373 1.317,374 2.676,375 1.677,376 3.729,377 2.193,378 1.212,379 1.756,381 2.636,382 1.184,383 2.523,384 1.295,385 3.498,386 1.94,387 1.006,388 1.454,389 2.513,390 0.924,391 1.871,392 1.271,393 3.206,394 1.375,395 0.432,396 0.504,397 0.889,398 0.358,399 1.584,400 1.028,401 3.067,402 1.228,403 0.378,404 0.483,405 0.726,406 0.335,407 1.498,408 0.622,409 2.834,410 1.179,411 0.267,412 0.315,413 0.611,414 0.232,415 1.219,416 0.484,417 2.673,418 0.785,419 -0.114,420 -0.145,421 -0.309,422 -0.091,423 14.695,424 0.507,425 0.784,426 0.027,427 41.5,428 1.431,429 22.5,430 0.776,431 19,432 0.655,433 23.796,434 0.821,435 29.105,436 0.647,437 30.981,438 1.068,439 7.908,440 0.273,441 6.066,442 0.209,443 0.188,445 0.367,449 0.672,450 1.185,451 0.554,452 0.775,453 0.588,454 0.759,455 0.627,456 0.845,457 0.771,458 0.835,459 0.563,460 0.74,461 1.049,462 1.286,463 0.929,464 1.026,465 0.93,466 0.963,467 1.303,468 1.02,469 0.912,470 0.872,471 1.473,472 0.933,473 1.013,474 1.226,475 1.027,476 1.151,477 1.016,478 1.07,479 1.178,480 1.023,481 0.734,482 0.735,483 1.191,484 0.849,485 1.149,486 0.929,487 1.288,488 1.066,489 1.056,490 1.081,491 0.857,492 1.031,493 0.736,494 0.938,495 0.769,496 1.023,497 6,498 0.161,499 3.333,500 2.688,501 2.244,502 1.222,503 0.829,504 0.382,505 0.361,506 0.192,507 10610,508 35161,509 2.07,510 35.6,512 14,514 1,515 1,520 1.719,521 1.912,522 3.449,523 -0.302,528 80.895,529 1.798,530 3.899,531 4.666,532 5.058,533 5.103,534 5.103,535 2.935,536 4.323,537 4.826,538 3.639,539 1477.32,540 8.404,541 19614.2,546 247.133,547 1.487,548 4.777,549 0.188,550 0.009,551 0.072,552 0.053,553 0.048,554 0.028,555 0.021,556 0.012,557 0.014,558 0.009,559 0.454,560 0.17,561 0.88,562 0.772,563 146.72,564 -0.055,565 -0.137,566 0.018,567 0.004,568 -0.088,569 0.01,570 0.142,571 0.242,572 -0.004,573 0.08,574 0.068,575 0.113,576 -0.122,577 -0.271,578 -0.081,579 -0.148,580 -0.034,581 -0.105,582 -0.065,583 0.005,584 0.016,585 0.016,586 -0.101,587 -0.048,588 0.129,589 -0.225,590 -0.073,591 -0.247,592 0.168,593 -0.154,594 -0.067,595 0.032,596 0.069,597 0.134,598 -0.024,599 0.073,600 -0.026,601 0.026,602 -0.147,603 -0.104,604 -0.058,605 -0.072,606 -0.097,607 0.009,608 -0.001,609 -0.004,610 -0.055,611 -0.04,612 1.901,613 6.003,614 0.759,615 29.757,616 1.014,617 1.109,618 4.922,619 24.223,620 0.759,621 3.497,622 3.85,623 4.159,624 4.443,625 4.7,626 4.779,627 4.913,628 5.081,629 5.215,630 5.263,631 6.704,632 0.718,633 443.38,634 3.497,635 5.056,636 5.927,637 6.823,638 7.71,639 8.612,640 9.506,641 10.412,642 11.31,643 12.218,644 8.9,651 1,652 1,654 2,657 8,658 2,662 8,664 18,674 1,678 2,679 45,680 20,681 2,682 32,684 48,685 21,686 16,687 5,688 7,689 3,690 4,691 5,692 2,702 19,703 2,706 2,709 1,710 1,712 2,718 16,719 5,720 1,721 8,722 3,726 4,729 0.75,730 1,740 1,745 4,749 1,756 1,758 1,759 1,766 3,767 1,768 1,770 2,771 2,774 29,781 1,783 1,785 1,794 2,795 2.2,798 1,801 15.167,802 8.969,803 6.361,804 2.47,805 3.639,806 1.464,807 1.011,808 5.724,809 11.479,810 3.784,811 4.413,812 5.019,813 5.598,814 6.156,815 6.41,816 6.799,817 7.269,818 7.684,819 8.015,820 0.875,821 51,822 10.684,823 4.586,824 7.784,825 20.121,826 16.406,827 2.284,828 66.222,832 176.567,833 162.461,834 54.706,835 78.297,836 25.145,838 32.22,839 130.241,840 280.009,841 54.706,842 15.587,843 3.124,844 75.81,845 75.192,846 47.924,847 4.227,848 197.015,849 78.297,850 176.567,851 184.947,852 25.145,853 110.517,855 176.567,856 25.145,858 32.082,859 109.818,860 121.345,861 32.22,862 176.567,863 79.851,864 240.758,867 176.567,868 62.017,869 103.568,870 18.011,871 137.013,872 176.567,873 79.851,874 240.758,876 0.588,877 0.359,878 0.195,879 0.107,880 23,881 11,882 0.083,883 4,884 1,885 1.091,886 3.948,887 263.768,888 0.091,889 22,890 134.881,891 1,894 20.081,895 8.267,896 3.951,898 79.851,899 14.78,900 8.932,904 4.986,906 18.011,907 497.176,908 43,911 13.003,912 1.725,914 0.175,916 45.644,917 49.917,918 0.327,919 0.71,920 0.85,921 0.921,922 0.929,923 0.929,924 5.034,925 1.851,926 5.932,927 5.36,928 4.533,929 5.1,930 3.073,931 6.783,932 4.401,933 6.263,934 1.336,935 7.52,936 5.104,937 4.205,938 4.934,939 0.325,940 7.756,941 3.979,942 7.586,943 1.212,944 9.207,945 3.353,946 6.168,947 7.308,948 5.05,949 10.892,950 5.941,951 8.943,952 1.006,953 10.952,954 2.636,955 6.635,956 7.913,957 0.653,958 12.685,959 6.329,960 10.329,961 0.432,962 12.734,963 2.513,964 8.09,965 9.779,966 7.188,967 15.363,968 7.78,969 11.737,970 0.378,971 14.542,972 0.889,973 8.927,974 10.761,975 1.001,976 17.514,977 8.555,978 13.162,979 0.267,980 16.371,981 0.726,982 10.19,983 12.401,984 9.348,985 20.034,986 9.803,987 3.291,988 -0.114,989 18.216,990 0.611,991 11.202,992 13.583,993 1.37,994 22.344,995 10.767,996 2.96,997 11.619,998 20.074,999 -0.309,1000 12.394,1001 15.113,1002 11.511,1003 24.808,1004 11.937,1005 2.723,1006 10.134,1007 21.944,1008 4.242,1009 13.489,1010 16.404,1011 1.754,1012 27.188,1013 12.992,1014 2.452,1015 8.007,1016 23.822,1017 3.954,1018 14.658,1019 17.878,1020 13.675,1021 29.633,1022 14.135,1023 2.187,1024 7.49,1025 25.708,1026 3.675,1027 15.791,1028 19.228,1029 2.143,1030 32.045,1031 15.234,1032 1.988,1033 6.636,1034 27.6,1035 3.239,1036 16.956,1037 20.676,1038 15.838,1039 34.485,1040 16.372,1041 1.879,1042 6.011,1043 29.498,1044 2.79,1045 18.11,1046 22.059,1047 2.535,1048 36.913,1049 17.494,1050 10153,1051 18655,1052 21.096,1053 34.171,1054 48.581,1055 53.001,1056 50.616,1057 48.211,1058 47.929,1059 63.599,1060 9.686,1061 142.178,1062 44.386,1063 5.512,1064 6.328,1065 6.533,1066 5.334,1067 5.291,1068 7.242,1069 5.9,1070 19.318,1071 5.179,1072 15.487,1073 1.518,1074 1.656,1075 1.582,1076 1.507,1077 1.498,1078 1.987,1079 0.303,1080 4.443,1081 1.387,1082 4.041,1083 4.07,1084 4.135,1085 3.963,1086 7.428,1087 3.964,1088 3.902,1089 3.926,1090 4.008,1091 3.863,1092 5.042,1093 3.841,1094 3.813,1095 3.842,1096 3.883,1097 3.718,1098 4.973,1099 3.725,1100 3.457,1101 3.509,1102 3.582,1103 3.269,1104 4.712,1105 3.287,1106 3.221,1107 3.295,1108 3.523,1109 3.176,1110 4.632,1111 3.069,1112 3.195,1113 3.268,1114 3.378,1115 3.008,1116 4.222,1117 3.007,1118 2.999,1119 3.062,1120 3.074,1121 2.849,1122 4.115,1123 2.841,1124 2.901,1125 2.918,1126 3.038,1127 2.839,1128 4.045,1129 2.815,1130 0.144,1131 0.135,1132 0.217,1133 0.133,1134 0.103,1135 4.617,1136 0.133,1137 4.328,1138 0.092,1139 6.941,1140 0.363,1141 4.258,1142 0.099,1143 3.291,1144 4.242,1145 2.95,1146 11.619,1147 3.179,1148 1.967,1149 1.95,1150 2.012,1151 2.082,1152 1.162,1153 2.063,1154 1.888,1155 1.865,1156 1.968,1157 1.963,1158 1.091,1159 1.977,1160 1.773,1161 1.743,1162 1.85,1163 1.878,1164 0.943,1165 1.885,1166 1.361,1167 1.314,1168 1.581,1169 1.608,1170 0.654,1171 1.595,1172 1.226,1173 1.165,1174 1.52,1175 1.42,1176 0.626,1177 1.493,1178 1.196,1179 1.113,1180 1.407,1181 1.393,1182 0.437,1183 1.422,1184 0.964,1185 0.906,1186 1.175,1187 1.177,1188 0.241,1189 1.178,1190 0.849,1191 0.827,1192 1.05,1193 0.967,1194 0.159,1195 1.007,1196 4.174,1198 5.517,1200 7.069,1202 8.718,1204 10.418,1206 3.689,1207 12.608,1213 3.189,1215 1.654,1217 1.482,1222 32.33,1223 80.895,1224 175.443,1225 209.972,1226 227.624,1227 229.624,1228 229.624,1229 50.48,1230 7.84,1231 59.81,1232 85.11,1233 24,1234 12.736,1235 4.392,1236 3.585,1237 44.793,1238 118,1239 124,1240 0.191,1241 209.405,1242 362.4,1243 502.708,1244 27269,1245 4.4,1246 20.543,1247 0.708,1248 0.619,1249 21.897,1250 17.939,1251 13.974,1252 0.437,1253 0.334,1254 8.775,1255 12.522,1256 8.311,1257 6.9,1258 15.109,1259 10.68,1260 12.726,1261 0.277,1262 0.175,1263 13.961,1264 8.042,1265 11.175,1266 0.177,1267 0.093,1268 12.322,1269 5.862,1270 9.372,1271 0.112,1272 0.049,1273 10.575,1274 4.132,1275 7.674,1276 0.07,1277 0.024,1278 8.449,1279 2.63,1280 0.299,1281 98.239,1282 0.218,1283 27.412,1284 0.528,1285 156,1286 468.271,1287 216.66,1288 541.191,1289 723.27,1290 504,1291 187,1292 477.78,1293 235.267,1294 519.435,1295 763.4,1296 486,1297 5}
{0 CHEMBL428690,1 1.621,2 9.179,3 3.058,4 9.351,5 107.239,6 8.372,7 0.387,8 3.998,9 4.081,10 3.643,11 3.551,12 5.185,13 3.547,14 4.526,15 4.657,16 4.068,17 3.981,18 5.672,19 3.964,20 4.86,21 5.01,22 4.257,23 4.182,24 6.024,25 4.146,26 4.993,27 5.169,28 4.32,29 4.174,30 6.329,31 4.136,32 4.957,33 5.122,34 4.179,35 4.12,36 6.224,37 4.086,38 4.873,39 5.039,40 4.168,41 4.068,42 6.187,43 4.031,44 4.776,45 4.936,46 4.086,47 3.998,48 6.148,49 3.954,50 4.756,51 4.918,52 3.985,53 3.903,54 6.093,55 3.826,56 0.15,57 0.625,58 8.515,59 4.62,60 23.107,61 5.139,62 0.27,63 1.055,64 16.568,65 7.705,66 29.558,67 9.058,68 0.531,69 1.357,70 27.094,71 11.206,72 68.163,73 13.079,74 1.093,75 1.46,76 36.08,77 12.755,78 133.607,79 15.517,80 1.022,81 1.382,82 34.357,83 11.916,84 133.424,85 13.411,86 0.905,87 1.309,88 30.036,89 10.934,90 121.366,91 12.641,92 0.696,93 1.213,94 25.512,95 9.96,96 115.959,97 11.638,98 0.931,99 1.116,100 29.706,101 9.737,102 118.433,103 10.744,104 37,105 46,106 0.275,107 0.664,108 0.835,109 0.897,110 0.911,111 0.911,112 3.376,113 0.908,114 -3.46,115 -3.44,116 -3.29,118 43.8,120 1,121 1,123 1,124 2,125 1,131 1,133 1,136 5,137 3,138 4,148 1,161 6,164 7,168 5,169 12,173 3,175 1,177 3,179 7,182 1,183 9,185 3,186 1,187 4,189 10,193 3,195 1,196 1,197 3,200 5,202 1,203 6,205 2,207 4,208 10,211 1,214 1,215 1,216 4,217 7,219 1,220 2,222 1,224 7,226 7,229 1,233 5,235 2,238 1194,239 18.499,240 18.499,241 18.499,242 18.499,243 18.499,244 16.626,245 20.975,246 10.547,247 18.887,248 15.261,249 15.261,250 15.261,251 15.261,252 15.261,253 12.373,254 26.694,255 4.972,256 15.985,257 3.964,258 1.681,259 0.674,260 0.307,261 0.224,262 0.224,263 4.066,264 1,266 1,267 1,268 553,269 2.449,272 286.945,276 111.001,279 1.217,280 47.636,283 1,284 1,285 1,286 0.8,287 0.5,288 1,289 1,290 0.9,291 61.833,292 257,293 4.68,294 3.71,295 7.072,296 4.331,297 3.355,298 4.38,299 0.86,300 12.191,301 3.274,302 4.328,303 3.357,304 6.511,305 3.955,306 2.991,307 3.939,308 0.8,309 10.125,310 2.89,311 4.047,312 3.221,313 6.393,314 3.805,315 2.836,316 3.385,318 9.659,319 2.725,320 3.67,321 2.916,322 5.686,323 3.402,324 2.441,325 2.942,327 7.384,328 2.336,329 3.508,330 2.645,331 5.27,332 3.116,333 2.189,334 2.654,336 6.377,337 2.02,338 3.267,339 2.55,340 5.016,341 2.903,342 1.979,343 2.499,345 5.617,346 1.812,347 3.087,348 2.273,349 4.948,350 2.779,351 1.829,352 2.17,354 5.502,355 1.726,356 2.963,357 2.142,358 4.719,359 2.65,360 1.673,361 2.017,363 4.653,364 1.609,365 2.86,366 1.68,367 4.184,368 2.352,369 1.414,370 1.986,372 3.565,373 1.307,374 2.572,375 1.589,376 3.922,377 2.324,378 1.365,379 1.548,381 3.106,382 1.249,383 2.384,384 1.186,385 3.589,386 2.046,387 1.071,388 1.376,389 2.745,390 1.037,391 1.581,392 0.818,393 3.418,394 1.382,395 0.444,396 0.481,397 1.154,398 0.412,399 1.393,400 0.768,401 3.084,402 0.931,403 -0.013,404 -0.016,405 -0.035,406 -0.011,407 1.159,408 0.364,409 2.696,410 0.696,411 -0.252,412 -0.275,413 -0.615,414 -0.204,415 0.876,416 0.093,417 2.523,418 0.636,419 -0.275,420 -0.387,421 -0.689,422 -0.244,423 13.281,424 0.474,425 0.895,426 0.032,427 34.5,428 1.232,429 16.5,430 0.589,431 18,432 0.643,433 25.875,434 0.924,435 30.519,436 0.636,437 28.891,438 1.032,439 6.776,440 0.242,441 6.587,442 0.235,443 0.192,445 0.444,449 0.873,450 1.115,451 0.646,452 0.899,453 0.849,454 0.837,455 0.804,456 1.014,457 0.673,458 0.896,459 0.616,460 0.841,461 0.989,462 1.074,463 0.86,464 1.032,465 0.93,466 0.985,467 0.789,468 0.975,469 0.808,470 0.994,471 0.718,472 0.917,473 1.364,474 0.904,475 0.988,476 0.883,477 1.281,478 0.91,479 1.137,480 0.949,481 0.828,482 0.899,483 1.198,484 0.92,485 1.051,486 1.153,487 0.869,488 1.036,489 1.263,490 1.043,491 1.388,492 1.055,493 1.27,494 1.081,495 1.588,496 1.181,497 6,498 0.091,499 3.778,500 3.125,501 2.316,502 1.465,503 1.157,504 0.639,505 0.39,506 0.138,507 8277,508 25573,509 2.051,510 41.7,512 14,515 3,517 3,520 1.72,521 1.867,522 3.146,523 0.917,524 1,525 1,528 77.791,529 1.621,530 3.904,531 4.911,532 5.278,533 5.361,534 5.361,535 2.594,536 4.45,537 4.78,538 3.27,539 1236.14,540 8.363,541 15412.4,543 1,545 1,546 268.078,547 1.531,548 4.711,549 0.194,550 0.011,551 0.082,552 0.06,553 0.045,554 0.031,555 0.026,556 0.016,557 0.013,558 0.007,559 0.484,560 0.5,561 1,562 0.648,563 136.101,564 -0.119,565 0.009,566 -0.008,567 0.08,568 -0.13,569 0.069,570 -0.078,571 0.11,572 0.044,573 0.064,574 0.01,575 0.087,576 -0.076,577 -0.052,578 -0.007,579 -0.055,580 -0.074,581 -0.032,582 0.259,583 -0.015,584 0.142,585 -0.019,586 0.234,587 0.058,588 -0.134,589 0.049,590 -0.067,591 0.076,592 -0.115,593 0.031,594 -0.013,595 0.031,596 0.037,597 0.055,598 -0.015,599 0.024,600 -0.01,601 -0.153,602 -0.013,603 -0.08,604 0.021,605 -0.1,606 -0.137,607 -0.097,608 -0.182,609 -0.104,610 -0.207,611 -0.244,612 2.114,613 5.769,614 0.786,615 21.786,616 1.019,617 1.118,618 2.232,619 4.982,620 0.682,621 3.466,622 3.85,623 4.174,624 4.511,625 4.779,626 4.942,627 5.094,628 5.247,629 5.342,630 5.357,631 5.48,632 0.66,633 401.87,634 3.466,635 5.043,636 5.927,637 6.845,638 7.747,639 8.672,640 9.583,641 10.511,642 11.427,643 12.357,644 2.1,647 1,657 5,662 7,664 12,668 1,676 2,677 1,678 1,679 48,680 14,681 2,682 31,684 51,685 21,686 12,687 7,688 5,689 3,690 4,691 5,692 1,697 2,698 1,700 2,702 15,703 6,704 1,706 2,709 1,710 1,712 2,715 1,718 20,719 6,720 3,721 7,722 1,726 1,729 0.75,730 5,732 1,745 4,749 1,758 2,763 1,764 1,766 3,770 1,771 1,774 28,779 3,780 3,782 1,784 2,785 1,794 1,795 10.4,796 1,797 2,798 1,800 1,801 15,802 8.693,803 6,804 2.776,805 2.696,806 1.347,807 0.919,808 5.099,809 10.458,810 3.689,811 4.304,812 4.894,813 5.485,814 6.015,815 6.353,816 6.695,817 7.089,818 7.422,819 7.706,820 1,821 52,822 10.505,823 4.798,824 8.028,825 19.44,826 16.632,827 2.528,828 70.778,831 1,832 200.109,833 100.677,834 3.124,835 39.149,836 164.195,839 100.677,840 403.452,841 3.124,842 8.396,843 6.746,844 99.541,845 120.889,846 32.425,848 200.109,849 39.149,850 200.109,851 103.802,852 164.195,853 39.149,855 164.795,856 156.825,857 42.683,858 9.87,859 79.212,860 53.868,862 200.109,863 167.319,864 139.826,867 200.109,868 35.424,869 68.378,871 203.343,872 200.109,873 167.319,874 139.826,876 0.598,877 0.361,878 0.206,879 0.113,880 24,881 12,882 0.039,883 2,884 1,885 1.091,886 3.692,887 264.84,888 0.091,889 22,890 134.606,894 19.273,895 7.408,896 3.43,898 167.319,899 8.076,904 0.759,906 128.05,907 507.254,908 39,911 12.769,912 1.273,914 -0.214,916 48.898,917 53.641,918 0.29,919 0.699,920 0.879,921 0.945,922 0.96,923 0.96,924 4.977,925 1.673,926 5.953,927 5.502,928 4.533,929 4.99,930 1.235,931 6.843,932 4.444,933 6.204,934 1.414,935 7.565,936 4.653,937 4.29,938 4.924,939 0.325,940 7.892,941 4.143,942 7.535,943 1.365,944 9.276,945 3.565,946 6.201,947 7.18,948 0.938,949 11.052,950 6.053,951 8.899,952 1.071,953 11.045,954 3.106,955 6.735,956 7.9,957 0.268,958 12.926,959 6.541,960 10.295,961 0.444,962 12.851,963 2.745,964 8.171,965 9.69,966 0.732,967 15.627,968 7.973,969 11.714,970 -0.013,971 14.684,972 1.154,973 9.061,974 10.784,975 0.188,976 17.847,977 8.828,978 13.153,979 -0.252,980 16.536,981 -0.035,982 10.323,983 12.385,984 0.57,985 20.393,986 10.077,987 3.355,988 -0.275,989 18.403,990 -0.615,991 11.373,992 13.663,993 0.125,994 22.761,995 11.099,996 2.991,997 12.191,998 20.282,999 -0.689,1000 12.574,1001 15.182,1002 0.438,1003 25.257,1004 12.283,1005 2.836,1006 10.125,1007 22.171,1008 4.38,1009 13.697,1010 16.55,1011 0.082,1012 27.69,1013 13.381,1014 2.441,1015 9.659,1016 24.069,1017 3.939,1018 14.881,1019 18.034,1020 0.334,1021 30.173,1022 14.544,1023 2.189,1024 7.384,1025 25.972,1026 3.385,1027 16.037,1028 19.447,1029 0.054,1030 32.636,1031 15.677,1032 1.979,1033 6.377,1034 27.882,1035 2.942,1036 17.219,1037 20.917,1038 0.252,1039 35.12,1040 16.838,1041 1.829,1042 5.617,1043 29.796,1044 2.654,1045 18.393,1046 22.355,1047 0.035,1048 37.597,1049 17.99,1050 8013,1051 14218,1052 20.115,1053 32.75,1054 47.97,1055 49.277,1056 50.464,1057 47.407,1058 47.178,1059 58.757,1060 3.32,1061 144.157,1062 44.794,1063 5.68,1064 5.71,1065 6.757,1066 5.432,1067 5.355,1068 7.38,1069 1.72,1070 19.814,1071 5.274,1072 16.158,1073 1.547,1074 1.59,1075 1.628,1076 1.529,1077 1.522,1078 1.895,1079 0.107,1080 4.65,1081 1.445,1082 4.063,1083 4.072,1084 4.071,1085 3.98,1086 7.428,1087 3.989,1088 3.892,1089 3.92,1090 3.94,1091 3.837,1092 6.492,1093 3.831,1094 3.777,1095 3.816,1096 3.692,1097 3.627,1098 6.449,1099 3.633,1100 3.456,1101 3.474,1102 3.42,1103 3.323,1104 6.444,1105 3.335,1106 3.254,1107 3.324,1108 3.285,1109 3.042,1110 4.967,1111 3.046,1112 3.148,1113 3.222,1114 3.115,1115 2.945,1116 4.699,1117 2.931,1118 2.997,1119 3.011,1120 2.961,1121 2.824,1122 4.34,1123 2.828,1124 2.88,1125 2.922,1126 2.886,1127 2.784,1128 4.3,1129 2.765,1130 0.151,1131 0.12,1132 0.228,1133 0.14,1134 0.108,1135 4.68,1136 0.141,1137 3.71,1138 0.028,1139 7.072,1140 0.393,1141 4.331,1142 0.106,1143 3.355,1144 4.38,1145 0.86,1146 12.191,1147 3.274,1148 1.991,1149 1.984,1150 2.077,1151 2.1,1152 1.426,1153 2.092,1154 1.885,1155 1.863,1156 1.993,1157 1.985,1158 1.128,1159 1.992,1160 1.734,1161 1.693,1162 1.869,1163 1.891,1164 1.029,1165 1.89,1166 1.403,1167 1.383,1168 1.587,1169 1.574,1170 0.781,1171 1.569,1172 1.226,1173 1.147,1174 1.501,1175 1.477,1176 0.712,1177 1.488,1178 1.145,1179 1.071,1180 1.472,1181 1.398,1182 0.562,1183 1.427,1184 0.911,1185 0.888,1186 1.176,1187 1.173,1188 0.38,1189 1.15,1190 0.868,1191 0.824,1192 1.124,1193 1.037,1194 0.18,1195 1.072,1196 4.143,1198 5.509,1200 7.083,1202 8.758,1204 10.486,1206 1.907,1207 6.246,1211 31.412,1212 1.726,1214 6.002,1216 -1.171,1217 1.992,1222 31.691,1223 77.791,1224 187.395,1225 235.714,1226 253.323,1227 257.323,1228 257.323,1229 75.75,1230 7.763,1231 94.14,1232 94.14,1233 24,1234 12.861,1235 3.907,1236 3.17,1237 41.985,1238 89,1239 100,1240 0.23,1241 194.325,1242 349.66,1243 465.914,1244 23209,1245 2.1,1246 19.999,1247 0.714,1248 0.571,1249 20.499,1250 15.979,1251 13.363,1252 0.431,1253 0.303,1254 8.911,1255 12.577,1256 8.688,1257 7.114,1258 13.652,1259 9.385,1260 12.703,1261 0.276,1262 0.166,1263 13.073,1264 7.619,1265 10.729,1266 0.168,1267 0.088,1268 11.087,1269 5.623,1270 9.774,1271 0.109,1272 0.046,1273 10.095,1274 4.129,1275 7.63,1276 0.065,1277 0.024,1278 7.839,1279 2.889,1280 0.344,1281 87.177,1282 0.223,1283 25.805,1284 0.687,1285 154,1286 479.769,1287 183.89,1288 486.378,1289 643.28,1290 450,1291 187,1292 441.866,1293 214.054,1294 455.072,1295 675.25,1296 428,1297 5}
{0 CHEMBL445813,1 1.842,2 10.12,3 1.599,4 2.557,5 95.872,6 9.102,7 0.407,8 3.859,9 3.982,10 3.576,11 3.39,12 5.015,13 3.383,14 4.388,15 4.548,16 3.967,17 3.795,18 5.554,19 3.756,20 4.68,21 4.897,22 4.075,23 3.91,24 5.81,25 3.833,26 4.655,27 4.867,28 4.232,29 3.795,30 6.037,31 3.747,32 4.505,33 4.704,34 3.776,35 3.629,36 5.817,37 3.6,38 4.35,39 4.516,40 3.873,41 3.634,42 5.752,43 3.61,44 4.413,45 4.599,46 3.951,47 3.659,48 5.635,49 3.611,50 4.405,51 4.639,52 3.707,53 3.471,54 5.673,55 3.399,56 0.148,57 0.646,58 6.342,59 3.323,60 12.313,61 4.067,62 0.331,63 0.991,64 13.408,65 5.864,66 29.161,67 7.513,68 0.599,69 1.112,70 27.014,71 8.588,72 63.36,73 11.089,74 0.864,75 0.999,76 33.747,77 8.087,78 86.415,79 10.181,80 0.729,81 0.875,82 25.159,83 6.457,84 92.216,85 7.553,86 0.557,87 0.856,88 15.19,89 5.304,90 80.521,91 6.381,92 0.525,93 0.886,94 19.94,95 5.395,96 46.277,97 6.851,98 0.651,99 0.797,100 23.465,101 5.815,102 65.239,103 7.623,104 17,105 37,106 0.324,107 0.692,108 0.811,109 0.831,110 0.831,111 0.831,112 3.267,113 0.958,114 -2.99,115 -2.99,116 -2.89,118 38.1,120 2,124 2,125 1,136 3,137 1,138 3,140 1,145 1,149 2,159 1,161 2,164 1,166 2,168 5,169 8,172 1,175 2,176 1,179 3,183 6,185 2,186 3,187 4,189 3,192 1,193 4,195 1,197 2,202 1,203 1,205 2,207 5,211 4,214 1,216 4,220 7,223 2,224 5,226 2,229 1,233 1,238 922,239 16.759,240 16.759,241 16.759,242 16.759,243 16.759,244 15.097,245 24.567,246 9.973,247 17.176,248 13.306,249 13.306,250 13.306,251 13.306,252 13.306,253 10.783,254 37.709,255 4.7,256 14.045,257 3.55,258 1.459,259 0.78,260 0.667,261 0.667,262 0.667,263 3.944,264 2,265 1,266 1,267 1,268 536,269 3.317,271 74.159,272 170.857,279 1.645,280 34.169,283 1,284 1,285 1,286 0.8,287 0.5,288 1,289 1,290 0.9,291 55.167,292 253,293 4.466,294 3.695,295 6.686,296 4.079,297 3.119,298 4.113,299 1.058,300 10.64,301 2.991,302 4.335,303 3.587,304 6.457,305 3.945,306 2.978,307 3.961,308 1.058,309 9.962,310 2.853,311 3.629,312 3.041,313 5.445,314 3.486,315 2.521,316 2.791,317 0.4,318 7.218,319 2.428,320 3.415,321 2.664,322 5.079,323 3.074,324 2.097,325 2.602,327 5.885,328 2.012,329 3.232,330 2.623,331 4.841,332 2.815,333 1.879,334 2.481,336 5.104,337 1.785,338 3.205,339 2.52,340 4.72,341 2.707,342 1.821,343 2.298,345 4.787,346 1.441,347 2.715,348 1.779,349 3.883,350 2.351,351 1.418,352 1.79,354 3.177,355 1.319,356 2.521,357 1.388,358 3.668,359 2.233,360 1.263,361 1.487,363 2.88,364 1.214,365 2.46,366 1.357,367 3.517,368 2.012,369 1.035,370 1.458,372 2.412,373 0.987,374 2.236,375 1.077,376 3.36,377 1.984,378 1,379 1.062,381 2.136,382 0.983,383 2,384 1.038,385 3.247,386 1.716,387 0.756,388 1,389 1.911,390 0.719,391 1.179,392 0.888,393 2.761,394 0.804,395 -0.053,396 -0.06,397 -0.137,398 -0.036,399 1.03,400 0.473,401 2.558,402 0.745,403 -0.214,404 -0.241,405 -0.51,406 -0.203,407 1,408 0.275,409 2.352,410 0.557,411 -0.347,412 -0.445,413 -0.757,414 -0.229,415 1,416 0.173,417 2.154,418 0.473,419 -0.453,420 -0.622,421 -1.076,422 -0.429,423 12.095,424 0.484,425 0.613,426 0.025,427 30,428 1.2,429 13.5,430 0.54,431 16.5,432 0.66,433 21.321,434 0.853,435 27.505,436 0.655,437 22.362,438 0.894,439 5.934,440 0.237,441 6.124,442 0.245,443 0.173,445 0.331,449 0.716,450 1.267,451 0.557,452 0.844,453 0.539,454 0.817,455 0.685,456 1.336,457 0.649,458 0.96,459 0.542,460 0.974,461 0.878,462 0.966,463 0.823,464 0.885,465 0.826,466 0.905,467 0.814,468 0.893,469 0.764,470 0.957,471 0.936,472 0.863,473 1.621,474 0.849,475 1.015,476 0.778,477 1.968,478 0.814,479 1.142,480 1.165,481 0.731,482 0.77,483 1.282,484 0.852,485 1.019,486 1.256,487 1.043,488 1.123,489 0.877,490 1.099,491 0.848,492 0.941,493 0.894,494 1.074,495 0.8,496 1.046,497 4.5,498 0.087,499 2.889,500 2.25,501 1.169,502 0.802,503 0.409,504 0.401,505 0.155,506 0.166,507 6986,508 23382,509 2.038,510 40.5,512 8,513 1,515 4,518 4,520 1.681,521 1.899,522 3.288,523 1.855,524 1,525 1,528 77.381,529 1.842,530 3.933,531 4.612,532 4.726,533 4.726,534 4.726,535 2.699,536 4.084,537 4.618,538 3.468,539 1040.39,540 7.99,541 12671.9,542 1,543 1,545 1,546 226.477,547 1.44,548 4.569,549 0.167,550 0.006,551 0.078,552 0.061,553 0.032,554 0.027,555 0.013,556 0.013,557 0.007,558 0.011,559 0.415,560 0.17,561 1,562 0.609,563 120.624,564 -0.082,565 0.014,566 -0.005,567 0.053,568 -0.028,569 0.051,570 0.017,571 -0.171,572 0.012,573 -0.046,574 0.061,575 -0.062,576 0.003,577 0.02,578 0.074,579 0.075,580 0.016,581 0.079,582 0.308,583 0.044,584 0.281,585 0.013,586 0.246,587 0.107,588 -0.297,589 0.094,590 -0.123,591 0.147,592 -0.29,593 0.101,594 -0.041,595 -0.087,596 0.005,597 0.127,598 0.033,599 0.027,600 -0.063,601 -0.164,602 -0.073,603 -0.204,604 -0.091,605 -0.203,606 0.149,607 0.021,608 0.04,609 -0.154,610 0.15,611 -0.09,612 2.173,613 5.457,614 0.68,615 20.576,616 1.024,617 1.136,618 1.762,619 3.104,620 0.69,621 3.332,622 3.638,623 3.892,624 4.127,625 4.159,626 4.159,627 4.19,628 4.277,629 4.248,630 4.263,631 6.073,632 0.664,633 382.28,634 3.332,635 4.86,636 5.7,637 6.569,638 7.421,639 8.295,640 9.152,641 10.028,642 10.887,643 11.765,644 11.9,646 1,651 2,652 1,654 1,657 4,658 1,659 1,662 5,664 11,670 2,678 2,679 42,680 13,681 1,682 27,684 44,685 16,686 9,687 3,688 3,689 2,690 3,691 3,692 2,697 3,700 3,702 11,703 5,706 2,709 2,712 2,714 1,715 1,718 17,719 6,720 4,721 9,722 2,726 5,729 1,730 2,737 1,744 1,745 2,762 1,766 3,771 2,774 25,780 4,781 3,784 1,794 2,795 4.8,798 2,801 13.167,802 7.236,803 5.556,804 2.477,805 2.165,806 1.313,807 0.979,808 5.961,809 9.078,810 3.57,811 4.107,812 4.626,813 5.137,814 5.354,815 5.5,816 5.63,817 5.878,818 6.074,819 6.288,820 0.857,821 37,822 9.268,823 4.014,824 7.989,825 17.232,826 14.05,827 2.489,828 62.222,832 153.024,833 71.866,834 87.358,835 78.297,836 50.29,839 71.866,840 281.611,841 87.358,843 45.302,844 55.487,845 76.362,846 32.363,847 11.771,848 141.253,849 78.297,850 153.024,851 159.224,852 50.29,853 78.297,855 105.94,856 97.374,858 82.732,859 59.829,860 94.96,862 153.024,863 137.648,864 150.164,867 153.024,868 34.39,869 37.476,870 70.695,871 145.25,872 153.024,873 137.648,874 150.164,876 0.579,877 0.343,878 0.189,879 0.084,880 17,881 8,882 0.091,883 4,885 1,886 3.678,887 201.18,889 17,890 106.096,894 18.201,895 8.188,896 4.331,898 120.985,899 6.238,900 3.94,901 2.599,904 1.002,906 70.695,907 440.836,908 34.5,911 24.886,914 -0.846,916 42.996,917 47.705,918 0.342,919 0.729,920 0.855,921 0.876,922 0.876,923 0.876,924 4.802,925 1.263,926 5.68,927 3.177,928 4.317,929 4.792,930 1.758,931 6.482,932 4.213,933 5.987,934 1.035,935 7.236,936 2.88,937 3.892,938 4.59,940 7.394,941 3.713,942 7.283,943 1,944 8.898,945 2.412,946 5.894,947 6.91,948 1.803,949 10.508,950 5.713,951 8.617,952 0.756,953 10.623,954 2.136,955 6.312,956 7.578,958 12.283,959 6.069,960 9.987,961 -0.053,962 12.39,963 1.911,964 7.777,965 9.365,966 1.891,967 14.902,968 7.522,969 11.382,970 -0.214,971 14.187,972 -0.137,973 8.579,974 10.427,976 17.016,977 8.268,978 12.798,979 -0.347,980 16.004,981 -0.51,982 9.833,983 12.002,984 1.987,985 19.464,986 9.498,987 3.119,988 -0.453,989 17.838,990 -0.757,991 10.81,992 13.244,994 21.714,995 10.424,996 2.978,997 10.64,998 19.683,999 -1.076,1000 11.979,1001 14.727,1002 2.086,1003 24.099,1004 11.561,1005 2.521,1006 9.962,1007 21.538,1008 4.113,1009 13.034,1010 16.051,1012 26.404,1013 12.568,1014 2.097,1015 7.218,1016 23.399,1017 3.961,1018 14.171,1019 17.492,1020 2.186,1021 28.765,1022 13.668,1023 1.879,1024 5.885,1025 25.267,1026 2.791,1027 15.262,1028 18.855,1030 31.094,1031 14.713,1032 1.821,1033 5.104,1034 27.138,1035 2.602,1036 16.387,1037 20.277,1038 2.287,1039 33.446,1040 15.798,1041 1.418,1042 4.787,1043 29.013,1044 2.481,1045 17.494,1046 21.659,1048 35.786,1049 16.861,1050 6813,1051 12663,1052 17.8,1053 28.983,1054 40.318,1055 42.324,1056 41.551,1057 40.107,1058 39.777,1059 50.085,1060 5.033,1061 112.224,1062 37.465,1063 5.466,1064 5.695,1065 6.488,1066 5.122,1067 5.119,1068 7.113,1069 2.117,1070 17.556,1071 4.991,1072 12.29,1073 1.493,1074 1.568,1075 1.539,1076 1.485,1077 1.473,1078 1.855,1079 0.186,1080 4.156,1081 1.388,1082 3.994,1083 4.039,1084 4.115,1085 3.894,1086 7.432,1087 3.894,1088 3.886,1089 3.915,1090 3.905,1091 3.745,1092 7.426,1093 3.766,1094 3.811,1095 3.878,1096 3.692,1097 3.639,1098 5.006,1099 3.645,1100 3.321,1101 3.378,1102 3.582,1103 3.06,1104 4.965,1105 3.1,1106 3.255,1107 3.309,1108 3.268,1109 2.963,1110 4.632,1111 3.005,1112 3.111,1113 3.206,1114 3.18,1115 2.941,1116 4.404,1117 2.91,1118 2.909,1119 2.981,1120 3.058,1121 2.849,1122 4.115,1123 2.815,1124 2.901,1125 2.918,1126 2.866,1127 2.633,1128 3.913,1129 2.652,1130 0.165,1131 0.137,1132 0.248,1133 0.151,1134 0.116,1135 4.466,1136 0.152,1137 3.695,1138 0.039,1139 6.686,1140 0.394,1141 4.079,1142 0.111,1143 3.119,1144 4.113,1145 1.058,1146 10.64,1147 2.991,1148 1.892,1149 1.881,1150 2.033,1151 2.021,1152 1.377,1153 2.029,1154 1.821,1155 1.758,1156 1.938,1157 1.964,1158 1.072,1159 1.968,1160 1.56,1161 1.529,1162 1.652,1163 1.741,1164 0.825,1165 1.718,1166 1.337,1167 1.258,1168 1.513,1169 1.7,1170 0.744,1171 1.643,1172 1.153,1173 1.083,1174 1.482,1175 1.451,1176 0.567,1177 1.429,1178 1.127,1179 1.064,1180 1.327,1181 1.376,1182 0.288,1183 1.414,1184 0.999,1185 0.91,1186 1.193,1187 1.254,1188 0.234,1189 1.242,1190 0.849,1191 0.827,1192 1,1193 0.975,1194 0.105,1195 1.004,1196 4.007,1198 5.313,1199 2.398,1200 6.81,1201 4.595,1202 8.395,1203 6.581,1204 10.025,1207 12.084,1212 3.431,1213 8.798,1216 0.09,1222 27.879,1223 77.381,1224 165.193,1225 193.722,1226 198.477,1227 198.477,1228 198.477,1229 57.213,1230 6.914,1231 98.91,1232 98.91,1233 17,1234 12.307,1235 3.807,1236 3.087,1237 41.721,1238 90,1239 90,1240 0.224,1241 180.206,1242 311,1243 431.462,1244 9248,1245 4.8,1246 17.811,1247 0.712,1248 0.59,1249 18.811,1250 14.747,1251 12.059,1252 0.447,1253 0.319,1254 7.809,1255 11.001,1256 7.647,1257 6.287,1258 12.636,1259 8.623,1260 10.748,1261 0.29,1262 0.176,1263 11.489,1264 6.51,1265 8.843,1266 0.184,1267 0.096,1268 9.517,1269 4.598,1270 7.695,1271 0.126,1272 0.053,1273 8.604,1274 3.247,1275 4.968,1276 0.079,1277 0.029,1278 5.26,1279 1.808,1280 0.35,1281 82.127,1282 0.237,1283 24.271,1284 0.62,1285 128,1286 424.854,1287 172.071,1288 467.59,1289 605.63,1290 432,1291 149,1292 389.52,1293 185.788,1294 410.061,1295 600.25,1296 386,1297 5}
{0 CHEMBL450786,1 1.709,2 15.419,3 5.69,4 32.372,5 171.59,6 8.333,7 0.354,8 4.444,9 4.548,10 4.198,11 4.062,12 5.463,13 4.009,14 5.04,15 5.2,16 4.583,17 4.506,18 6.166,19 4.438,20 5.321,21 5.513,22 4.683,23 4.666,24 6.394,25 4.564,26 5.408,27 5.607,28 4.83,29 4.684,30 6.545,31 4.57,32 5.401,33 5.596,34 4.765,35 4.644,36 6.664,37 4.572,38 5.397,39 5.589,40 4.677,41 4.71,42 6.491,43 4.618,44 5.514,45 5.744,46 4.543,47 4.69,48 6.624,49 4.552,50 5.394,51 5.657,52 4.505,53 4.555,54 6.445,55 4.424,56 0.103,57 1.119,58 16.315,59 7.664,60 19.103,61 9.196,62 0.432,63 1.915,64 33.013,65 13.56,66 60.785,67 16.999,68 0.543,69 2.361,70 50.142,71 18.564,72 72.916,73 22.885,74 0.8,75 2.44,76 71.194,77 21.227,78 111.978,79 25.272,80 1.257,81 2.442,82 60.205,83 19.039,84 174.294,85 22.646,86 0.613,87 2.549,88 50.627,89 19.7,90 91.259,91 24.792,92 1.002,93 2.683,94 63.53,95 22.144,96 174.246,97 28.851,98 1.048,99 2.376,100 61.829,101 20.224,102 139.649,103 26.655,104 65,105 72,106 0.26,107 0.587,108 0.76,109 0.844,110 0.855,111 0.855,112 3.788,113 1.062,114 -5.08,115 -4.97,116 -4.66,118 41.6,119 2,120 4,124 5,125 1,131 1,132 1,136 6,137 4,138 4,146 2,149 2,161 10,163 2,164 7,166 1,168 7,169 14,172 1,173 11,177 5,179 11,183 13,185 2,187 1,189 14,192 1,193 17,195 1,196 1,197 2,200 11,203 9,205 2,207 5,208 19,210 2,211 7,214 1,216 3,217 19,219 2,220 6,222 4,226 13,229 7,233 7,235 13,238 3944,239 28.471,240 28.471,241 28.471,242 28.471,243 28.471,244 25.597,245 34.756,246 16.142,247 29.237,248 23.629,249 23.629,250 23.629,251 23.629,252 23.629,253 19.074,254 41.308,255 7.618,256 24.995,257 4.558,258 2.406,259 1.27,260 0.715,261 0.643,262 0.643,263 4.49,264 2,267 1,268 1458,269 4.416,271 471.68,272 277.559,275 190.395,279 2.428,280 63.153,283 0.75,284 0.67,285 0.83,286 0.7,287 0.5,288 0.83,289 1,290 0.75,291 92.667,292 663,293 4.876,294 5.264,295 7.324,296 4.322,297 3.428,298 4.726,299 3.272,300 12.597,301 3.246,302 4.628,303 3.784,304 6.944,305 4.262,306 3.289,307 4.334,308 1.2,309 11.598,310 3.15,311 4.473,312 3.655,313 6.722,314 4.114,315 3.143,316 4.056,317 1.058,318 10.934,319 2.888,320 4.283,321 3.404,322 6.371,323 3.849,324 2.902,325 3.942,326 0.8,327 9.6,328 2.753,329 4.024,330 3.118,331 6.347,332 3.802,333 2.881,334 3.237,335 0.293,336 9.523,337 2.591,338 3.682,339 2.898,340 5.655,341 3.436,342 2.498,343 3.014,345 7.442,346 2.347,347 3.545,348 2.862,349 5.449,350 3.226,351 2.237,352 2.648,354 6.92,355 2.197,356 3.348,357 2.623,358 5.326,359 3.058,360 2.054,361 2.481,363 6.371,364 2.049,365 3.232,366 2.592,367 4.891,368 2.773,369 1.879,370 2.465,372 5.282,373 1.752,374 3.106,375 2.569,376 4.874,377 2.707,378 1.79,379 2.283,381 5.104,382 1.66,383 3.08,384 2.202,385 4.841,386 2.687,387 1.716,388 2.199,389 5.043,390 1.525,391 3.007,392 1.951,393 4.711,394 2.546,395 1.556,396 2.125,397 4.558,398 1.441,399 2.869,400 1.559,401 4.53,402 2.381,403 1.408,404 2.023,405 4.077,406 1.377,407 2.696,408 1.497,409 3.977,410 2.377,411 1.381,412 1.708,413 3.347,414 1.363,415 2.382,416 1.484,417 3.823,418 2.255,419 1.264,420 1.329,421 2.872,422 1.249,423 21.195,424 0.493,425 1.4,426 0.033,427 52,428 1.209,429 24,430 0.558,431 28,432 0.651,433 49.793,434 1.158,435 46.605,436 0.605,437 46.707,438 1.086,439 9.535,440 0.222,441 10.995,442 0.256,443 0.177,444 0.039,445 0.368,449 0.56,450 1.296,451 0.667,452 1.043,453 0.552,454 0.91,455 0.642,456 1.122,457 0.724,458 0.908,459 0.494,460 0.873,461 0.982,462 1.043,463 0.913,464 0.977,465 0.862,466 0.984,467 1.085,468 1.082,469 0.911,470 1.016,471 1.133,472 0.994,473 1.237,474 0.86,475 0.859,476 0.853,477 1.374,478 0.831,479 0.871,480 1.14,481 0.765,482 1.027,483 0.903,484 1.033,485 0.935,486 1.033,487 0.855,488 0.963,489 0.942,490 1.076,491 0.754,492 0.708,493 0.664,494 0.654,495 0.788,496 0.705,497 10,498 0.311,499 6.444,500 4.778,501 2.982,502 2.146,503 1.342,504 0.884,505 0.79,506 0.592,507 33014,508 90226,509 2.078,510 44.2,511 3,512 18,515 2,516 3,517 8,520 1.818,521 1.904,522 3.861,523 0.137,528 131.569,529 1.709,530 3.861,531 4.997,532 5.552,533 5.624,534 5.624,535 3.327,536 5.101,537 5.397,538 4.079,539 3683.76,540 9.554,541 66496.7,546 482.543,547 1.634,548 5.334,549 0.208,550 0.006,551 0.09,552 0.065,553 0.041,554 0.028,555 0.017,556 0.014,557 0.013,558 0.01,559 0.492,560 0.17,561 0.75,562 0.578,563 247.671,564 0.024,565 -0.094,566 0.094,567 -0.011,568 -0.063,569 0.036,570 0.1,571 0.012,572 0.057,573 0.059,574 0.153,575 0.072,576 -0.09,577 0.01,578 -0.016,579 0.001,580 -0.008,581 -0.019,582 -0.014,583 -0.083,584 0.119,585 -0.006,586 -0.03,587 -0.015,588 0.031,589 0.16,590 0.063,591 0.106,592 0.028,593 0.106,594 -0.013,595 -0.101,596 -0.022,597 -0.091,598 0.006,599 -0.074,601 -0.076,602 -0.043,603 -0.061,604 0.038,605 -0.099,606 0.138,607 0.245,608 0.201,609 0.284,610 0.092,611 0.297,612 4.753,613 6.841,614 0.698,615 55.549,616 1.008,617 1.121,618 3.847,619 14.797,620 0.693,621 3.892,622 4.29,623 4.605,624 4.898,625 5.063,626 5.193,627 5.361,628 5.537,629 5.649,630 5.762,631 8.971,632 0.652,633 641.67,634 3.892,635 5.485,636 6.368,637 7.283,638 8.182,639 9.098,640 10.003,641 10.92,642 11.83,643 12.748,644 5.2,647 1,651 2,652 1,657 6,659 1,662 10,664 17,671 1,678 2,679 77,680 22,681 2,682 48,684 82,685 32,686 16,687 6,688 6,689 4,690 6,691 7,692 2,694 2,697 5,700 5,702 20,703 12,706 5,708 1,709 4,710 1,712 3,718 34,719 7,720 2,721 11,722 3,726 4,729 0.833,730 4,741 1,742 2,744 4,745 2,748 1,755 1,758 1,759 1,763 1,766 5,768 1,770 2,771 2,774 43,777 1,780 9,781 1,784 1,785 2,794 2,795 5.2,798 4,801 22.583,802 14.436,803 9.097,804 4.873,805 3.851,806 1.419,807 1.015,808 8.528,809 13.046,810 4.135,811 4.773,812 5.325,813 5.879,814 6.343,815 6.678,816 7.08,817 7.5,818 7.849,819 8.212,820 1,821 73,822 16.413,823 7.661,824 7.84,825 30.87,826 26.987,827 2.34,828 100.639,832 376.675,833 151.65,834 41.045,835 78.297,836 94.603,838 6.046,839 145.604,840 549.575,841 41.045,842 17.65,843 40.596,844 72.38,845 104.012,846 47.146,847 5.513,848 376.675,849 78.297,850 376.675,851 186.649,852 94.603,853 84.343,855 282.506,856 188.772,858 78.156,859 99.017,860 93.819,862 376.675,863 135.648,864 229.947,866 6.046,867 376.675,868 61.62,869 90.233,870 34.796,871 172.9,872 376.675,873 135.648,874 229.947,876 0.603,877 0.364,878 0.196,879 0.097,880 37,881 18,882 0.085,883 7,884 1,885 1.067,886 5.025,887 466.603,888 0.067,889 30,890 221.329,893 1,894 30.417,895 12.056,896 5.927,898 118.862,899 9.418,901 3.312,904 4.698,906 34.796,907 742.27,908 61.5,910 -3.836,911 53.709,912 1.702,914 -0.011,916 77.578,917 86.282,918 0.273,919 0.616,920 0.797,921 0.886,922 0.897,923 0.897,924 5.435,925 2.054,926 6.409,927 6.92,928 4.977,929 5.462,930 3.35,931 7.307,932 4.87,933 6.68,934 1.879,935 8.032,936 6.371,937 4.796,938 5.568,939 0.57,940 8.473,941 4.581,942 8.039,943 1.79,944 9.761,945 5.282,946 6.691,947 7.74,948 5.467,949 11.572,950 6.469,951 9.438,952 1.716,953 11.552,954 5.104,955 7.321,956 8.664,957 0.801,958 13.549,959 6.995,960 10.871,961 1.556,962 13.383,963 5.043,964 8.734,965 10.387,966 7.81,967 16.215,968 8.39,969 12.33,970 1.408,971 15.242,972 4.558,973 9.696,974 11.647,975 1.074,976 18.501,977 9.265,978 13.807,979 1.381,980 17.12,981 4.077,982 10.952,983 13.227,984 10.178,985 21.037,986 10.487,987 3.428,988 1.264,989 19.014,990 3.347,991 12.049,992 14.628,993 1.404,994 23.443,995 11.514,996 3.289,997 12.597,998 20.921,999 2.872,1000 13.255,1001 16.16,1002 12.548,1003 25.943,1004 12.678,1005 3.143,1006 11.598,1007 22.837,1008 4.726,1009 14.406,1010 17.623,1011 1.768,1012 28.401,1013 13.77,1014 2.902,1015 10.934,1016 24.761,1017 4.334,1018 15.6,1019 19.142,1020 14.919,1021 30.894,1022 14.917,1023 2.881,1024 9.6,1025 26.691,1026 4.056,1027 16.776,1028 20.635,1029 2.15,1030 33.376,1031 16.04,1032 2.498,1033 9.523,1034 28.627,1035 3.942,1036 17.969,1037 22.153,1038 17.29,1039 35.872,1040 17.185,1041 2.237,1042 7.442,1043 30.568,1044 3.237,1045 19.158,1046 23.662,1047 2.538,1048 38.367,1049 18.323,1050 30629,1051 51227,1052 31.441,1053 53.387,1054 74.329,1055 78.513,1056 76.857,1057 74.255,1058 73.906,1059 93.194,1060 13.247,1061 227.757,1062 69.848,1063 5.876,1064 7.264,1065 6.94,1066 5.444,1067 5.428,1068 7.726,1069 6.545,1070 20.199,1071 5.246,1072 25.287,1073 1.549,1074 1.636,1075 1.601,1076 1.547,1077 1.54,1078 1.942,1079 0.276,1080 4.745,1081 1.455,1082 4.157,1083 4.16,1084 4.747,1085 4.15,1086 7.714,1087 4.081,1088 4.033,1089 4.047,1090 4.07,1091 3.944,1092 7.431,1093 3.936,1094 3.925,1095 3.971,1096 4.038,1097 3.853,1098 7.426,1099 3.849,1100 3.877,1101 3.913,1102 3.864,1103 3.742,1104 6.999,1105 3.741,1106 3.758,1107 3.818,1108 3.778,1109 3.671,1110 5.005,1111 3.62,1112 3.72,1113 3.704,1114 3.613,1115 3.59,1116 4.824,1117 3.579,1118 3.343,1119 3.364,1120 3.582,1121 3.242,1122 4.68,1123 3.23,1124 3.199,1125 3.291,1126 3.309,1127 3.019,1128 4.632,1129 2.996,1130 0.102,1131 0.11,1132 0.153,1133 0.09,1134 0.071,1135 4.876,1136 0.098,1137 5.264,1138 0.068,1139 7.324,1140 0.262,1141 4.322,1142 0.068,1143 3.428,1144 4.726,1145 3.272,1146 12.597,1147 3.246,1148 2.008,1149 2.025,1150 1.989,1151 2.044,1152 1.32,1153 2.09,1154 1.868,1155 1.853,1156 1.937,1157 1.926,1158 1.29,1159 1.94,1160 1.745,1161 1.72,1162 1.91,1163 1.918,1164 1.211,1165 1.912,1166 1.681,1167 1.642,1168 1.86,1169 1.84,1170 1.125,1171 1.834,1172 1.642,1173 1.588,1174 1.854,1175 1.82,1176 1.102,1177 1.832,1178 1.577,1179 1.507,1180 1.795,1181 1.751,1182 1.002,1183 1.793,1184 1.503,1185 1.495,1186 1.762,1187 1.704,1188 0.908,1189 1.732,1190 1.485,1191 1.428,1192 1.581,1193 1.619,1194 0.87,1195 1.651,1196 4.575,1198 5.953,1199 3.714,1200 7.506,1201 6.075,1202 9.14,1203 8.148,1204 10.819,1206 3.762,1207 12.486,1212 7.905,1213 2.825,1216 0.203,1217 4.467,1222 50.216,1223 131.569,1224 297.285,1225 384.768,1226 427.523,1227 433.033,1228 433.033,1229 112.729,1230 9.195,1231 106.34,1232 114.72,1233 32,1234 13.259,1235 4.524,1236 3.858,1237 63.889,1238 232,1239 227,1240 0.132,1241 312.122,1242 554.35,1243 753.339,1244 164385,1245 2.6,1246 30.466,1247 0.709,1248 0.616,1249 31.716,1250 26.503,1251 20.53,1252 0.428,1253 0.354,1254 14.647,1255 18.601,1256 14.048,1257 11.535,1258 21.928,1259 16.997,1260 19.798,1261 0.275,1262 0.201,1263 21.84,1264 14.449,1265 17.02,1266 0.172,1267 0.113,1268 18.801,1269 11.163,1270 14.553,1271 0.109,1272 0.065,1273 16.363,1274 8.651,1275 10.719,1276 0.068,1277 0.036,1278 12.558,1279 5.727,1280 0.21,1281 141.861,1282 0.178,1283 38.019,1284 0.356,1285 240,1286 676.165,1287 324.704,1288 735.054,1289 978.49,1290 678,1291 291,1292 646.854,1293 376.432,1294 709.299,1295 1047.31,1296 666,1297 5}
{0 CHEMBL464552,1 1.705,2 13.282,3 3.582,4 12.832,5 146.018,6 7.833,7 0.512,8 4.338,9 4.466,10 3.94,11 3.803,12 5.502,13 3.818,14 4.868,15 5.055,16 4.32,17 4.196,18 6.012,19 4.197,20 5.056,21 5.235,22 4.419,23 4.335,24 6.24,25 4.322,26 5.189,27 5.394,28 4.486,29 4.357,30 6.484,31 4.341,32 5.204,33 5.413,34 4.396,35 4.351,36 6.39,37 4.335,38 5.181,39 5.389,40 4.423,41 4.424,42 6.317,43 4.38,44 5.271,45 5.504,46 4.445,47 4.439,48 6.349,49 4.386,50 5.233,51 5.467,52 4.417,53 4.344,54 6.455,55 4.302,56 0.14,57 1.145,58 13.017,59 5.346,60 11.905,61 7.044,62 0.598,63 1.77,64 26.231,65 8.877,66 38.466,67 12.021,68 0.595,69 2.097,70 31.387,71 11.003,72 54.569,73 14.684,74 1.037,75 2.227,76 38.99,77 12.605,78 120.109,79 17.169,80 1.107,81 2.207,82 40.42,83 10.99,84 114.841,85 14.934,86 0.833,87 2.287,88 37.677,89 12.764,90 82.724,91 17.538,92 0.818,93 2.357,94 42.849,95 13.696,96 73.703,97 20.019,98 1.225,99 2.253,100 42.727,101 12.703,102 110.6,103 18.261,104 64,105 62,106 0.266,107 0.643,108 0.815,109 0.874,110 0.874,111 0.874,112 3.693,113 0.861,114 -3.75,115 -3.71,116 -3.53,118 39.7,120 1,123 4,124 2,136 6,137 3,138 5,141 1,144 1,145 1,149 2,152 1,161 5,163 2,164 7,166 5,168 7,169 5,172 2,173 5,175 1,177 3,179 3,183 10,185 4,186 4,187 5,189 2,192 3,193 8,197 3,200 3,202 3,203 7,205 2,207 7,208 3,210 1,211 5,214 3,216 5,217 3,219 4,220 3,222 5,223 2,224 4,226 4,228 2,229 3,233 2,235 5,238 3005,239 26.273,240 26.273,241 26.273,242 26.273,243 26.273,244 23.417,245 39.545,246 15.139,247 27.026,248 21.102,249 21.102,250 21.102,251 21.102,252 21.102,253 16.47,254 63.795,255 6.997,256 22.185,257 4.383,258 1.967,259 0.865,260 0.486,261 0.486,262 0.486,263 4.393,268 1114,269 4.472,271 181.801,272 318.607,275 315.729,279 1.893,280 49.981,283 0.5,284 0.67,285 0.67,286 0.6,287 0.5,288 0.67,289 1,290 0.66,291 86.5,292 518,293 4.574,294 3.793,295 6.729,296 4.167,297 3.204,298 4.503,299 1.989,300 10.944,301 3.084,302 4.488,303 3.644,304 6.721,305 4.125,306 3.156,307 4.128,308 1.058,309 10.873,310 3.064,311 4.436,312 3.253,313 6.535,314 4.004,315 3.037,316 4.109,317 0.86,318 10.317,319 2.926,320 4.026,321 3.148,322 6.141,323 3.714,324 2.762,325 3.354,326 0.835,327 9.034,328 2.624,329 3.674,330 2.934,331 5.595,332 3.351,333 2.387,334 3.043,335 0.543,336 7.253,337 2.301,338 3.561,339 2.855,340 5.335,341 3.148,342 2.208,343 2.881,344 0.4,345 6.66,346 2.09,347 3.507,348 2.48,349 5.271,350 3.113,351 2.189,352 2.793,353 0.4,354 6.606,355 2.013,356 3.403,357 2.458,358 4.952,359 2.974,360 2.007,361 2.65,363 5.386,364 1.908,365 3.194,366 2.403,367 4.87,368 2.881,369 1.941,370 2.456,372 5.308,373 1.813,374 3.106,375 1.997,376 4.807,377 2.727,378 1.789,379 2.26,381 5.177,382 1.665,383 2.952,384 1.963,385 4.534,386 2.603,387 1.64,388 1.988,389 4.559,390 1.571,391 2.69,392 1.76,393 3.976,394 2.219,395 1.232,396 1.741,397 2.912,398 1.211,399 2.606,400 1.347,401 3.78,402 2.111,403 1.153,404 1.655,405 2.741,406 1.102,407 2.314,408 1.312,409 3.733,410 2.069,411 1.087,412 1.231,413 2.719,414 1.059,415 2.234,416 1.129,417 3.699,418 1.936,419 1,420 1.163,421 2.461,422 0.928,423 17.986,424 0.461,425 1.062,426 0.027,427 52.25,428 1.34,429 25,430 0.641,431 27.25,432 0.699,433 34.987,434 0.897,435 42.614,436 0.627,437 48.504,438 1.244,439 10.734,440 0.275,441 8.048,442 0.206,443 0.164,445 0.406,448 1,449 0.782,450 1.409,451 0.738,452 1.157,453 0.565,454 0.965,455 0.832,456 0.905,457 0.753,458 0.786,459 0.573,460 0.747,461 1.008,462 1.277,463 0.942,464 1.147,465 1.003,466 1.048,467 0.924,468 1.029,469 0.859,470 1.043,471 1.023,472 0.965,473 1.472,474 1.015,475 1.18,476 0.848,477 1.47,478 0.917,479 0.901,480 1.037,481 0.984,482 1.032,483 0.808,484 1.026,485 0.706,486 1.101,487 0.856,488 1.055,489 0.599,490 0.993,491 0.824,492 0.855,493 0.9,494 0.921,495 0.764,496 0.929,497 8.5,498 0.282,499 4.667,500 3.507,501 2.467,502 1.466,503 1.234,504 0.871,505 0.622,506 0.478,507 22951,508 66143,509 2.064,510 42.6,512 22,513 1,515 4,517 2,520 1.798,521 1.902,522 3.673,523 1.504,528 115.929,529 1.705,530 4.121,531 5.223,532 5.602,533 5.602,534 5.602,535 3.097,536 5.01,537 5.259,538 3.86,539 2860.34,540 9.297,541 47506.8,546 413.947,547 1.497,548 5.202,549 0.198,550 0.006,551 0.075,552 0.053,553 0.036,554 0.023,555 0.019,556 0.013,557 0.01,558 0.01,559 0.443,560 0.17,561 0.63,562 1.22,563 216.448,564 -0.087,565 -0.258,566 0.044,567 -0.098,568 -0.053,569 -0.011,570 0.023,571 0.152,572 0.139,573 0.198,574 0.048,575 0.196,576 -0.066,577 -0.194,578 -0.04,579 -0.132,580 -0.066,581 -0.09,582 0.153,583 -0.007,584 0.111,585 -0.058,586 0.133,587 -0.007,588 -0.267,589 0.022,590 -0.19,591 0.081,592 -0.22,593 -0.011,594 -0.015,595 0.023,596 -0.057,597 -0.026,598 -0.012,599 -0.048,600 0.07,601 -0.163,602 0.095,603 -0.071,604 0.048,605 0.005,606 0.199,607 0.131,608 0.098,609 0.031,610 0.135,611 0.032,612 2.326,613 6.565,614 0.615,615 42.312,616 1.015,617 1.14,618 2.52,619 6.348,620 0.658,621 3.784,622 4.143,623 4.454,624 4.771,625 4.97,626 5.142,627 5.323,628 5.517,629 5.591,630 5.759,631 7.897,632 0.64,633 532.64,634 3.784,635 5.352,636 6.225,637 7.128,638 8.019,639 8.928,640 9.825,641 10.736,642 11.637,643 12.55,644 11.8,647 1,651 2,652 3,654 2,656 2,657 7,658 2,659 1,662 9,664 22,670 1,674 2,677 1,678 1,679 68,680 24,681 2,682 43,684 72,685 27,686 18,687 7,688 5,689 1,690 5,691 7,697 1,700 1,702 20,703 7,706 2,709 2,712 2,716 1,718 29,719 11,720 4,721 12,726 8,729 0.6,730 3,740 1,741 1,744 2,745 3,748 2,756 1,763 1,766 3,770 4,772 1,774 39,780 3,781 3,782 1,785 2,794 1,795 4.4,798 2,800 1,801 20.5,802 13.526,803 8.583,804 3.79,805 4.479,806 1.507,807 1.003,808 7.705,809 13.321,810 4.043,811 4.675,812 5.286,813 5.905,814 6.405,815 6.778,816 7.204,817 7.675,818 7.977,819 8.447,820 0.889,821 66,822 14.491,823 6.28,824 7.902,825 27.04,826 21.99,827 2.402,828 93.667,832 294.278,833 155.653,834 110.637,836 61.29,837 14.96,839 155.653,840 355.567,841 125.598,842 36.072,843 27.881,844 65.905,845 94.986,846 98.51,847 30.958,848 282.506,850 294.278,851 266.291,852 76.25,855 285.695,856 84.832,858 87.427,859 145.293,860 33.571,862 309.238,863 171.927,864 155.653,867 294.278,868 53.676,869 108.226,870 70.818,871 109.821,872 294.278,873 186.887,874 155.653,876 0.585,877 0.351,878 0.199,879 0.102,880 30,881 15,882 0.111,883 8,884 2,885 1.167,886 4.658,887 403.715,888 0.167,889 24,890 204.131,894 26.875,895 11.182,896 5.409,897 1.171,898 170.102,899 11.604,900 9.204,901 3.069,904 3.038,906 70.818,907 636.818,908 56,911 25.216,914 -0.558,916 69.029,917 77.522,918 0.28,919 0.677,920 0.858,921 0.92,922 0.92,923 0.92,924 5.306,925 2.007,926 6.232,927 6.606,928 4.828,929 5.364,930 2.606,931 7.091,932 4.736,933 6.531,934 1.941,935 7.822,936 5.386,937 4.511,938 5.293,939 1.738,940 8.074,941 4.382,942 7.859,943 1.789,944 9.509,945 5.308,946 6.469,947 7.606,948 3.265,949 11.197,950 6.299,951 9.222,952 1.64,953 11.254,954 5.177,955 6.957,956 8.35,957 3.224,958 12.997,959 6.756,960 10.617,961 1.232,962 13.034,963 4.559,964 8.401,965 10.163,966 4.35,967 15.638,968 8.162,969 12.034,970 1.153,971 14.841,972 2.912,973 9.251,974 11.283,975 4.689,976 17.773,977 8.982,978 13.468,979 1.087,980 16.666,981 2.741,982 10.502,983 12.9,984 5.607,985 20.245,986 10.199,987 3.204,988 1,989 18.505,990 2.719,991 11.516,992 14.202,993 6.118,994 22.52,995 11.181,996 3.156,997 10.944,998 20.355,999 2.461,1000 12.695,1001 15.735,1002 6.929,1003 24.929,1004 12.327,1005 3.037,1006 10.873,1007 22.213,1008 4.503,1009 13.78,1010 17.125,1011 7.524,1012 27.262,1013 13.38,1014 2.762,1015 10.317,1016 24.078,1017 4.128,1018 14.934,1019 18.624,1020 8.278,1021 29.65,1022 14.5,1023 2.387,1024 9.034,1025 25.949,1026 4.109,1027 16.051,1028 20.058,1029 8.915,1030 32.007,1031 15.585,1032 2.208,1033 7.253,1034 27.825,1035 3.354,1036 17.197,1037 21.543,1038 9.639,1039 34.388,1040 16.697,1041 2.189,1042 6.66,1043 29.704,1044 3.043,1045 18.33,1046 22.999,1047 10.3,1048 36.757,1049 17.796,1050 21947,1051 37481,1052 28.263,1053 44.722,1054 65.002,1055 67.743,1056 68.376,1057 64.527,1058 64.522,1059 83.503,1060 12.168,1061 192.409,1062 61.417,1063 5.497,1064 5.793,1065 6.271,1066 5.247,1067 5.204,1068 7.503,1069 3.465,1070 18.074,1071 5.084,1072 23.092,1073 1.512,1074 1.575,1075 1.59,1076 1.501,1077 1.501,1078 1.942,1079 0.283,1080 4.475,1081 1.428,1082 4.121,1083 4.166,1084 4.091,1085 3.984,1086 8.201,1087 4.004,1088 4.007,1089 4.04,1090 3.963,1091 3.904,1092 7.43,1093 3.915,1094 3.925,1095 3.952,1096 3.892,1097 3.83,1098 7.426,1099 3.84,1100 3.68,1101 3.746,1102 3.589,1103 3.456,1104 5.128,1105 3.48,1106 3.501,1107 3.572,1108 3.391,1109 3.293,1110 4.847,1111 3.304,1112 3.464,1113 3.542,1114 3.353,1115 3.201,1116 4.637,1117 3.227,1118 3.347,1119 3.416,1120 3.264,1121 3.1,1122 4.488,1123 3.134,1124 3.187,1125 3.262,1126 3.067,1127 2.954,1128 4.417,1129 2.965,1130 0.106,1131 0.088,1132 0.156,1133 0.097,1134 0.075,1135 4.574,1136 0.105,1137 3.793,1138 0.046,1139 6.729,1140 0.255,1141 4.167,1142 0.072,1143 3.204,1144 4.503,1145 1.989,1146 10.944,1147 3.084,1148 1.927,1149 1.901,1150 1.995,1151 2.069,1152 1.186,1153 2.042,1154 1.889,1155 1.87,1156 1.967,1157 1.999,1158 1.098,1159 1.987,1160 1.764,1161 1.732,1162 1.863,1163 1.919,1164 1.053,1165 1.896,1166 1.637,1167 1.571,1168 1.812,1169 1.881,1170 0.943,1171 1.875,1172 1.468,1173 1.399,1174 1.717,1175 1.7,1176 0.912,1177 1.704,1178 1.449,1179 1.368,1180 1.68,1181 1.69,1182 0.68,1183 1.691,1184 1.385,1185 1.307,1186 1.636,1187 1.675,1188 0.605,1189 1.677,1190 1.225,1191 1.164,1192 1.57,1193 1.525,1194 0.586,1195 1.539,1196 4.466,1198 5.814,1199 3.045,1200 7.351,1201 5.352,1202 8.981,1203 7.424,1204 10.664,1206 6.728,1208 14.565,1212 1.619,1213 8.771,1214 5.63,1217 3.608,1222 43.494,1223 115.929,1224 280.218,1225 355.153,1226 380.928,1227 380.928,1228 380.928,1229 86.299,1230 8.841,1231 127.51,1232 127.51,1233 28,1234 13.065,1235 4.644,1236 3.807,1237 61.241,1238 185,1239 188,1240 0.16,1241 265.209,1242 459.02,1243 638.87,1244 99485,1245 1.5,1246 27.681,1247 0.71,1248 0.565,1249 26.811,1250 22.054,1251 18.782,1252 0.437,1253 0.287,1254 12.077,1255 17.78,1256 11.718,1257 9.768,1258 18.372,1259 12.345,1260 17.227,1261 0.278,1262 0.151,1263 16.689,1264 9.342,1265 14.546,1266 0.171,1267 0.076,1268 14.152,1269 6.432,1270 12.892,1271 0.11,1272 0.039,1273 12.348,1274 4.621,1275 9.732,1276 0.068,1277 0.021,1278 9.538,1279 2.958,1280 0.25,1281 119.794,1282 0.188,1283 34.742,1284 0.441,1285 210,1286 705.23,1287 236.902,1288 650.689,1289 883.83,1290 608,1291 252,1292 650.602,1293 279.76,1294 653.549,1295 962.02,1296 611,1297 5}
{0 CHEMBL475251,1 1.811,2 13.294,3 3.881,4 15.065,5 120.223,6 8.255,7 0.486,8 4.181,9 4.287,10 3.819,11 3.59,12 5.41,13 3.639,14 4.696,15 4.852,16 4.212,17 3.93,18 5.928,19 3.987,20 4.871,21 5.003,22 4.354,23 4.072,24 6.256,25 4.124,26 4.965,27 5.15,28 4.237,29 4.11,30 6.19,31 4.106,32 4.971,33 5.17,34 4.157,35 4.096,36 6.144,37 4.074,38 4.931,39 5.145,40 4.061,41 4.021,42 6.123,43 3.982,44 4.857,45 5.115,46 4.009,47 3.875,48 5.993,49 3.849,50 4.682,51 4.9,52 3.99,53 3.738,54 5.985,55 3.776,56 0.241,57 0.916,58 9.999,59 4.578,60 11.947,61 5.41,62 0.752,63 1.357,64 21.622,65 7.518,66 50.92,67 8.972,68 1.2,69 1.653,70 24.404,71 7.729,72 79.055,73 9.366,74 1.098,75 1.661,76 29.552,77 9.584,78 85.717,79 12.264,80 1.125,81 1.673,82 30.993,83 9.389,84 71.271,85 12.534,86 1.08,87 1.631,88 30.075,89 9.243,90 75.683,91 12.335,92 0.918,93 1.487,94 31.121,95 8.513,96 74.725,97 12.79,98 0.995,99 1.342,100 24.284,101 6.132,102 80.035,103 8.003,104 59,105 54,106 0.295,107 0.608,108 0.739,109 0.778,110 0.791,111 0.815,112 3.56,113 0.82,114 -3.27,115 -3.26,116 -3.12,118 38.6,119 2,123 3,127 1,136 4,138 6,139 1,141 3,144 1,149 1,161 1,163 1,164 6,166 6,168 3,169 2,172 4,173 6,175 1,177 4,182 3,183 7,185 3,186 2,187 1,189 2,193 4,195 2,200 2,202 5,203 2,205 3,207 3,210 3,211 1,216 3,219 1,220 2,222 3,223 1,226 2,228 1,229 2,231 2,235 2,238 2092,239 22.632,240 22.632,241 22.632,242 22.632,243 22.632,244 20.291,245 39.73,246 12.811,247 23.637,248 18.052,249 18.052,250 18.052,251 18.052,252 18.052,253 14.241,254 67.244,255 5.824,256 19.48,257 4.022,258 2.105,259 1.304,260 1.067,261 0.983,262 0.838,263 4.251,266 1,267 1,268 963,269 3.674,272 424.732,276 161.402,279 2.118,280 47.252,283 0.75,284 0.67,285 0.83,286 0.9,288 0.83,289 1,290 0.71,291 77.5,292 452,293 4.54,294 4.104,295 7.282,296 4.367,297 3.413,298 4.111,299 2.03,300 12.355,301 3.249,302 4.426,303 3.375,304 6.524,305 4.012,306 3.069,307 3.999,308 0.892,309 10.264,310 2.887,311 4.272,312 3.208,313 6.161,314 3.848,315 2.921,316 3.877,317 0.86,318 9.146,319 2.705,320 4.099,321 3.007,322 6.078,323 3.689,324 2.747,325 3.463,326 0.86,327 8.822,328 2.574,329 3.694,330 2.778,331 5.5,332 3.339,333 2.412,334 3.02,335 0.86,336 7.382,337 2.231,338 3.475,339 2.691,340 5.217,341 3.078,342 2.14,343 2.782,344 0.4,345 6.48,346 2.001,347 3.355,348 2.555,349 5.19,350 2.972,351 2.061,352 2.604,353 0.4,354 6.118,355 1.867,356 3.298,357 2.402,358 4.959,359 2.84,360 1.912,361 2.593,362 0.141,363 5.726,364 1.764,365 3.103,366 2.154,367 4.898,368 2.765,369 1.818,370 2.208,372 5.276,373 1.704,374 2.825,375 1.907,376 4.173,377 2.331,378 1.416,379 1.955,381 3.756,382 1.289,383 2.649,384 1.693,385 4.028,386 2.165,387 1.171,388 1.625,389 3.088,390 1.151,391 2.201,392 1.631,393 3.78,394 1.967,395 1.145,396 1.187,397 2.397,398 0.937,399 1.688,400 1.025,401 3.18,402 1.332,403 0.433,404 0.516,405 1.046,406 0.382,407 1.576,408 0.916,409 3.021,410 1.27,411 0.396,412 0.452,413 0.651,414 0.342,415 1.525,416 0.79,417 2.971,418 1.217,419 0.352,420 0.386,421 0.603,422 0.301,423 15.352,424 0.452,425 1.025,426 0.03,427 47,428 1.382,429 23,430 0.676,431 24,432 0.706,433 28.102,434 0.827,435 38.048,436 0.668,437 40.445,438 1.19,439 9.545,440 0.281,441 6.688,442 0.197,443 0.203,444 0.033,445 0.358,448 1,449 0.854,450 1.402,451 0.693,452 1.268,453 0.651,454 0.986,455 1.044,456 0.938,457 0.665,458 0.846,459 0.692,460 0.688,461 1.099,462 1.139,463 0.993,464 1.062,465 1.002,466 1.006,467 0.962,468 0.996,469 1.021,470 1.05,471 1.094,472 1.054,473 1.027,474 0.99,475 1.075,476 1,477 0.725,478 1.049,479 0.941,480 1.075,481 1.121,482 1.068,483 0.993,484 1.136,485 0.72,486 1.088,487 0.69,488 0.892,489 0.849,490 0.796,491 1.182,492 1.059,493 0.967,494 0.742,495 1.328,496 0.739,497 9.5,498 0.26,499 4.444,500 2.938,501 2.747,502 1.215,503 0.847,504 0.582,505 0.476,506 0.451,507 16879,508 54611,509 2.018,510 40.4,512 13,514 1,515 3,517 6,520 1.758,521 1.846,522 3.693,523 0.928,525 1,528 103.206,529 1.811,530 3.728,531 4.529,532 4.766,533 4.85,534 4.995,535 3.125,536 4.572,537 5.062,538 3.885,539 2179.36,540 8.865,541 33835.9,546 332.475,547 1.667,548 4.989,549 0.257,550 0.008,551 0.082,552 0.05,553 0.053,554 0.025,555 0.02,556 0.014,557 0.012,558 0.012,559 0.533,560 0.33,561 0.75,562 0.928,563 183.474,564 -0.111,565 -0.275,566 0.046,567 -0.179,568 -0.097,569 -0.04,570 -0.053,571 0.056,572 0.236,573 0.155,574 0.032,575 0.25,576 0.032,577 -0.029,578 -0.108,579 -0.084,580 0.026,581 -0.133,582 -0.034,583 -0.021,584 -0.093,585 -0.074,586 -0.096,587 -0.102,588 -0.106,589 -0.045,590 -0.126,591 -0.025,592 -0.017,593 -0.079,594 -0.034,595 -0.044,596 -0.157,597 -0.103,598 -0.078,599 -0.165,600 0.111,601 -0.13,602 0.349,603 0.066,604 0.097,605 0.24,606 -0.051,607 0.153,608 0.052,609 0.164,610 -0.06,611 0.165,612 2.364,613 6.439,614 0.647,615 36.18,616 1.03,617 1.142,618 2.038,619 4.155,620 0.651,621 3.638,622 4.007,623 4.277,624 4.522,625 4.787,626 4.828,627 4.942,628 5.069,629 5.198,630 5.273,631 7.926,632 0.646,633 470.51,634 3.638,635 5.209,636 6.071,637 6.969,638 7.847,639 8.743,640 9.626,641 10.521,642 11.406,643 12.301,644 10.5,651 1,652 2,654 3,657 5,658 3,662 10,664 18,674 2,677 4,678 1,679 57,680 19,681 1,682 37,684 60,685 22,686 15,687 4,688 2,690 4,691 5,694 2,698 1,702 16,703 6,704 1,706 1,709 1,712 1,715 1,716 1,718 23,719 12,720 3,721 12,726 6,729 0.75,730 5,739 1,740 1,745 4,749 1,755 1,766 3,770 5,772 1,774 34,781 3,782 4,786 1,794 1,795 8.8,798 1,800 4,801 18.417,802 11.993,803 7.486,804 2.984,805 3.524,806 1.431,807 0.952,808 6.748,809 11.706,810 3.871,811 4.494,812 5.042,813 5.575,814 6.132,815 6.338,816 6.661,817 7.076,818 7.442,819 7.783,820 0.889,821 59,822 12.559,823 5.385,824 8.002,825 22.985,826 18.11,827 2.502,828 85.083,832 235.422,833 143.691,834 104.389,836 69.144,837 14.96,839 143.691,840 304.567,841 119.349,842 50.3,843 18.011,844 37.905,845 91.977,846 121.92,847 23.843,848 223.651,850 235.422,851 248.08,852 84.105,855 179.756,856 139.771,858 82.629,859 115.094,860 50.357,862 250.382,863 173.533,864 143.691,867 235.422,868 46.439,869 97.252,870 54.032,871 134.461,872 235.422,873 188.493,874 143.691,876 0.591,877 0.358,878 0.188,879 0.106,880 26,881 13,882 0.117,883 7,884 1,885 1.091,886 4.336,887 319.203,888 0.091,889 22,890 162.974,894 23.946,895 9.581,896 5.018,898 188.493,899 7.55,900 12.446,904 1.969,906 54.032,907 567.606,908 47,911 12.141,914 -0.338,916 58.712,917 65.113,918 0.31,919 0.639,920 0.777,921 0.817,922 0.831,923 0.856,924 5.145,925 1.912,926 6.107,927 6.118,928 4.691,929 5.182,930 2.693,931 6.974,932 4.549,933 6.383,934 1.818,935 7.714,936 5.726,937 4.511,938 5.147,939 1.593,940 8.127,941 4.326,942 7.723,943 1.416,944 9.424,945 5.276,946 6.392,947 7.39,948 3.387,949 11.154,950 6.13,951 9.094,952 1.171,953 11.194,954 3.756,955 6.976,956 8.073,957 3.201,958 13.092,959 6.67,960 10.492,961 1.145,962 13.005,963 3.088,964 8.392,965 9.856,966 4.521,967 15.716,968 8.024,969 11.908,970 0.433,971 14.844,972 2.397,973 9.311,974 10.87,975 4.75,976 17.977,977 8.897,978 13.337,979 0.396,980 16.704,981 1.046,982 10.566,983 12.46,984 5.819,985 20.489,986 10.098,987 3.413,988 0.352,989 18.583,990 0.651,991 11.635,992 13.643,993 6.248,994 22.885,995 11.12,996 3.069,997 12.355,998 20.477,999 0.603,1000 12.837,1001 15.139,1002 7.175,1003 25.374,1004 12.273,1005 2.921,1006 10.264,1007 22.383,1008 4.111,1009 13.973,1010 16.415,1011 7.714,1012 27.828,1013 13.362,1014 2.747,1015 9.146,1016 24.299,1017 3.999,1018 15.163,1019 17.862,1020 8.557,1021 30.317,1022 14.505,1023 2.412,1024 8.822,1025 26.225,1026 3.877,1027 16.332,1028 19.188,1029 9.16,1030 32.797,1031 15.627,1032 2.14,1033 7.382,1034 28.158,1035 3.463,1036 17.523,1037 20.61,1038 9.952,1039 35.293,1040 16.772,1041 2.061,1042 6.48,1043 30.098,1044 3.02,1045 18.709,1046 21.965,1047 10.594,1048 37.787,1049 17.912,1050 16292,1051 29510,1052 23.868,1053 37.097,1054 55.607,1055 57.918,1056 58.353,1057 55.078,1058 55.24,1059 70.054,1060 12.887,1061 166.968,1062 51.143,1063 5.484,1064 6.104,1065 6.824,1066 5.479,1067 5.413,1068 7.111,1069 3.634,1070 19.836,1071 5.249,1072 21.237,1073 1.503,1074 1.565,1075 1.577,1076 1.489,1077 1.493,1078 1.893,1079 0.348,1080 4.513,1081 1.382,1082 4.006,1083 4.042,1084 3.975,1085 3.856,1086 8.201,1087 3.879,1088 3.93,1089 3.95,1090 3.896,1091 3.796,1092 7.428,1093 3.817,1094 3.807,1095 3.843,1096 3.784,1097 3.619,1098 5.034,1099 3.655,1100 3.614,1101 3.659,1102 3.535,1103 3.472,1104 4.951,1105 3.478,1106 3.303,1107 3.355,1108 3.182,1109 3.027,1110 4.876,1111 3.054,1112 3.29,1113 3.35,1114 3.144,1115 3.006,1116 4.58,1117 3.026,1118 3.203,1119 3.282,1120 2.993,1121 2.897,1122 4.469,1123 2.901,1124 3.131,1125 3.211,1126 2.979,1127 2.874,1128 4.453,1129 2.888,1130 0.123,1131 0.111,1132 0.197,1133 0.118,1134 0.092,1135 4.54,1136 0.111,1137 4.104,1138 0.055,1139 7.282,1140 0.334,1141 4.367,1142 0.088,1143 3.413,1144 4.111,1145 2.03,1146 12.355,1147 3.249,1148 1.888,1149 1.867,1150 1.968,1151 2.068,1152 1.087,1153 2.036,1154 1.864,1155 1.84,1156 1.947,1157 2.02,1158 1.068,1159 1.994,1160 1.706,1161 1.666,1162 1.823,1163 1.911,1164 0.915,1165 1.877,1166 1.581,1167 1.537,1168 1.723,1169 1.753,1170 0.723,1171 1.757,1172 1.227,1173 1.163,1174 1.59,1175 1.558,1176 0.584,1177 1.565,1178 1.213,1179 1.149,1180 1.572,1181 1.523,1182 0.574,1183 1.536,1184 1.159,1185 1.071,1186 1.541,1187 1.479,1188 0.562,1189 1.498,1190 1.048,1191 0.975,1192 1.417,1193 1.36,1194 0.469,1195 1.341,1196 4.317,1198 5.673,1200 7.228,1202 8.873,1204 10.565,1206 7.795,1208 14.439,1213 8.453,1214 21.647,1218 -1.018,1222 36.827,1223 103.206,1224 212.487,1225 258.171,1226 271.681,1227 276.436,1228 284.7,1229 73.233,1230 8.182,1231 128.75,1232 128.75,1233 24,1234 12.828,1235 4.322,1236 3.459,1237 57.072,1238 163,1239 140,1240 0.169,1241 224.9,1242 396.64,1243 540.515,1244 44884,1245 1.8,1246 24.457,1247 0.719,1248 0.563,1249 23.587,1250 19.148,1251 16.233,1252 0.439,1253 0.273,1254 9.83,1255 15.114,1256 9.49,1257 7.936,1258 15.822,1259 10.119,1260 15.163,1261 0.281,1262 0.142,1263 14.645,1264 7.664,1265 12.804,1266 0.18,1267 0.069,1268 12.255,1269 4.914,1270 10.285,1271 0.113,1272 0.035,1273 10.104,1274 3.186,1275 8.819,1276 0.074,1277 0.018,1278 8.437,1279 2.171,1280 0.27,1281 105.445,1282 0.205,1283 31.555,1284 0.452,1285 182,1286 708.723,1287 213.875,1288 634.645,1289 856.84,1290 594,1291 216,1292 630.738,1293 249.215,1294 626.056,1295 917.24,1296 582,1297 5}
{0 CHEMBL477772,1 1.719,2 11.968,3 3.864,4 14.932,5 122.737,6 8.103,7 0.647,8 4.104,9 4.224,10 3.876,11 3.648,12 5.22,13 3.62,14 4.618,15 4.794,16 4.174,17 4.016,18 5.962,19 3.99,20 4.786,21 4.955,22 4.224,23 4.173,24 5.958,25 4.124,26 4.937,27 5.132,28 4.161,29 4.214,30 6.076,31 4.121,32 5.003,33 5.255,34 4.006,35 4.116,36 6.109,37 4.009,38 4.823,39 5.085,40 3.915,41 3.953,42 5.83,43 3.865,44 4.627,45 4.861,46 3.942,47 3.859,48 5.821,49 3.799,50 4.578,51 4.779,52 3.856,53 3.88,54 5.703,55 3.799,56 0.138,57 0.904,58 12.929,59 4.722,60 20.395,61 5.743,62 0.473,63 1.378,64 22.161,65 7.738,66 72,67 9.924,68 0.338,69 1.611,70 24.428,71 8.777,72 40.919,73 11.033,74 0.405,75 1.764,76 32.164,77 11.123,78 46.141,79 14.3,80 0.678,81 1.676,82 37.021,83 11.492,84 90.976,85 15.73,86 0.506,87 1.46,88 30.445,89 8.58,90 62.666,91 12.541,92 0.541,93 1.281,94 22.957,95 6.991,96 53.727,97 9.878,98 0.292,99 1.246,100 21.137,101 7.269,102 30.346,103 9.7,104 51,105 51,106 0.28,107 0.632,108 0.768,109 0.863,110 0.869,111 0.869,112 3.472,113 0.978,114 -3.85,115 -3.81,116 -3.61,118 38.9,119 2,123 2,136 7,137 2,138 3,139 1,140 1,141 1,144 1,146 1,154 1,155 1,156 1,157 1,161 5,163 3,164 9,165 2,166 4,168 2,169 8,173 9,177 3,179 5,181 2,182 2,183 13,185 1,187 4,189 4,190 2,192 1,193 5,195 2,196 1,197 2,199 1,200 1,201 1,202 1,203 9,207 2,208 3,210 5,211 5,213 2,214 2,216 1,217 1,219 1,220 3,222 1,224 1,226 6,228 3,229 3,230 1,231 2,233 1,235 5,237 1,238 1567,239 20.074,240 20.074,241 20.074,242 20.074,243 20.074,244 17.087,245 26.988,246 11.303,247 20.607,248 16.736,249 16.736,250 16.736,251 16.736,252 16.736,253 12.175,254 41.389,255 5.36,256 17.634,257 4.036,258 1.878,259 1.049,260 0.463,261 0.426,262 0.426,263 4.159,266 1,267 1,268 797,269 3.873,271 77.894,272 294.507,275 134.204,279 1.973,280 31.722,283 1,284 0.83,285 1,286 0.6,288 1,289 1,290 0.78,291 67.5,292 371,293 4.845,294 4.685,295 7.24,296 4.298,297 3.377,298 4.71,299 0.8,300 12.181,301 3.09,302 4.623,303 3.297,304 6.671,305 4.154,306 3.185,307 4.582,308 0.4,309 10.671,310 3.082,311 4.237,312 3.146,313 6.389,314 3.878,315 2.947,316 3.787,318 9.682,319 2.741,320 3.997,321 2.817,322 5.656,323 3.577,324 2.629,325 3.553,327 7.841,328 2.5,329 3.82,330 2.506,331 5.486,332 3.346,333 2.382,334 3.318,336 7.05,337 2.285,338 3.509,339 2.301,340 5.364,341 3.112,342 2.146,343 2.824,345 6.502,346 2.07,347 3.334,348 2.095,349 5.133,350 2.916,351 1.957,352 2.622,354 5.891,355 1.868,356 3.144,357 1.813,358 4.847,359 2.68,360 1.715,361 2.439,363 5.232,364 1.653,365 3.111,366 1.754,367 4.714,368 2.64,369 1.672,370 2.351,372 4.851,373 1.611,374 2.682,375 1.298,376 4.033,377 2.174,378 1.223,379 1.765,381 3.139,382 1.16,383 2.658,384 1.27,385 3.718,386 2.146,387 1.154,388 1.711,389 2.746,390 1.141,391 2.283,392 1.052,393 3.497,394 1.877,395 0.908,396 1.208,397 2.204,398 0.877,399 1.952,400 0.837,401 3.435,402 1.601,403 0.653,404 0.819,405 1.692,406 0.618,407 1.509,408 0.575,409 2.986,410 1.198,411 0.241,412 0.292,413 0.597,414 0.229,415 1.053,416 0.163,417 2.859,418 0.728,419 -0.228,420 -0.28,421 -0.543,422 -0.217,423 14.8,424 0.477,425 1.128,426 0.036,427 44.5,428 1.435,429 24,430 0.774,431 20.5,432 0.661,433 24.917,434 0.804,435 33.2,436 0.615,437 35.768,438 1.154,439 8.627,440 0.278,441 6.003,442 0.194,443 0.207,444 0.056,445 0.358,449 0.646,450 1.405,451 0.81,452 1.222,453 0.793,454 0.943,455 0.651,456 0.977,457 0.775,458 0.841,459 0.405,460 0.735,461 1.224,462 1.209,463 1.01,464 0.995,465 1.002,466 1.014,467 0.968,468 1.273,469 1.225,470 1.344,471 0.872,472 1.296,473 1.054,474 0.952,475 0.939,476 0.903,477 1.158,478 0.98,479 1.024,480 0.959,481 0.805,482 0.783,483 0.875,484 0.861,485 0.733,486 0.846,487 0.75,488 0.696,489 0.422,490 0.796,491 0.915,492 1.121,493 1.039,494 1.123,495 0.727,496 1.157,497 8.5,498 0.21,499 4.444,500 3.514,501 1.662,502 1.118,503 0.839,504 0.568,505 0.387,506 0.368,507 13259,508 38562,509 2.02,510 42.6,511 3,512 13,514 1,515 3,516 3,520 1.734,521 1.833,522 3.556,523 0.94,525 1,528 92.832,529 1.719,530 3.877,531 4.705,532 5.292,533 5.329,534 5.329,535 2.946,536 4.503,537 4.929,538 3.766,539 1751.26,540 8.594,541 25249.5,543 1,546 310.764,547 1.705,548 4.848,549 0.25,550 0.008,551 0.087,552 0.068,553 0.036,554 0.028,555 0.023,556 0.015,557 0.011,558 0.012,559 0.539,560 0.33,561 1,562 0.804,563 162.049,564 0.083,565 -0.169,566 0.198,567 -0.09,568 -0.22,569 0.011,570 0.303,571 0.143,572 0.152,573 0.146,574 0.43,575 0.2,576 -0.258,577 -0.091,578 -0.139,579 -0.035,580 -0.125,581 -0.091,582 -0.087,583 -0.217,584 -0.261,585 -0.332,586 -0.053,587 -0.329,588 -0.022,589 -0.038,590 -0.019,591 0.007,592 -0.078,593 0.002,594 -0.101,595 -0.013,596 0.085,597 0.088,598 -0.099,599 0.105,600 0.208,601 0.196,602 0.121,603 0.167,604 0.253,605 0.128,606 -0.09,607 -0.054,608 -0.155,609 -0.173,610 -0.048,611 -0.205,612 4.739,613 4.78,614 0.677,615 30.508,616 1.009,617 1.132,618 2.616,619 6.846,620 0.679,621 3.555,622 3.951,623 4.205,624 4.454,625 4.644,626 4.691,627 4.875,628 4.949,629 4.97,630 5.069,631 7.362,632 0.648,633 437.58,634 3.555,635 5.142,636 6.004,637 6.909,638 7.785,639 8.688,640 9.57,641 10.471,642 11.356,643 12.256,644 13,648 1,652 3,654 3,656 2,657 8,658 3,662 7,663 1,664 22,674 1,675 1,679 54,680 24,681 2,682 34,684 57,685 21,686 17,687 6,688 6,690 4,691 5,694 2,702 17,703 4,706 2,708 1,709 2,715 1,718 23,719 8,720 3,721 10,722 1,726 7,729 0.75,730 2,737 1,740 1,744 1,745 3,748 1,766 3,768 1,770 4,774 31,775 1,778 1,781 1,785 1,795 3.7,798 2,801 16.917,802 11,803 6.5,804 2.905,805 4.399,806 1.555,807 1.013,808 5.436,809 12.325,810 3.871,811 4.588,812 5.154,813 5.763,814 6.287,815 6.552,816 7.005,817 7.374,818 7.598,819 7.973,820 0.875,821 52,822 11.64,823 5.191,824 7.868,825 21.536,826 17.674,827 2.368,828 73.417,831 1,832 235.422,833 137.582,834 104.437,836 44.313,838 5.807,839 131.775,840 279.735,841 104.437,842 34.443,844 103.433,845 106.318,846 46.926,847 6.984,848 223.651,850 235.422,851 236.212,852 44.313,853 5.807,855 235.422,856 44.313,858 53.653,859 132.325,860 56.042,862 235.422,863 148.75,864 137.582,866 5.807,867 235.422,868 21.951,869 114.725,870 18.011,871 125.838,872 235.422,873 148.75,874 137.582,876 0.607,877 0.351,878 0.18,879 0.094,880 26,881 13,882 0.088,883 5,884 1,885 1.095,886 4.111,887 283.485,888 0.095,889 21,890 149.58,893 1,894 21.253,895 7.929,896 4.256,897 2.015,898 146.974,899 14.416,900 13.347,904 4.204,905 1.86,906 49.302,907 521.755,908 47,910 -3.822,911 23.56,916 54.512,917 61.149,918 0.299,919 0.674,920 0.818,921 0.919,922 0.926,923 0.926,924 5.139,925 1.715,926 6.057,927 5.891,928 4.635,929 5.276,930 0.824,931 6.934,932 4.533,933 6.42,934 1.672,935 7.673,936 5.232,937 4.511,938 5.427,939 0.325,940 8.091,941 4.329,942 7.791,943 1.223,944 9.393,945 4.851,946 6.347,947 7.654,948 0.413,949 11.134,950 6.125,951 9.2,952 1.154,953 11.173,954 3.139,955 6.976,956 8.57,957 0.268,958 13.073,959 6.662,960 10.639,961 0.908,962 12.992,963 2.746,964 8.374,965 10.353,966 0.246,967 15.71,968 8.017,969 12.1,970 0.653,971 14.838,972 2.204,973 9.32,974 11.606,975 0.188,976 17.963,977 8.872,978 13.579,979 0.241,980 16.706,981 1.692,982 10.568,983 13.229,984 0.157,985 20.477,986 10.07,987 3.377,988 -0.228,989 18.589,990 0.597,991 11.65,992 14.636,993 0.125,994 22.858,995 11.067,996 3.185,997 12.181,998 20.486,999 -0.543,1000 12.849,1001 16.199,1002 0.102,1003 25.337,1004 12.207,1005 2.947,1006 10.671,1007 22.394,1008 4.71,1009 13.99,1010 17.675,1011 0.082,1012 27.773,1013 13.268,1014 2.629,1015 9.682,1016 24.312,1017 4.582,1018 15.176,1019 19.218,1020 0.067,1021 30.246,1022 14.389,1023 2.382,1024 7.841,1025 26.237,1026 3.787,1027 16.343,1028 20.726,1029 0.054,1030 32.706,1031 15.48,1032 2.146,1033 7.05,1034 28.168,1035 3.553,1036 17.528,1037 22.262,1038 0.043,1039 35.182,1040 16.596,1041 1.957,1042 6.502,1043 30.105,1044 3.318,1045 18.708,1046 23.786,1047 0.035,1048 37.655,1049 17.701,1050 12703,1051 21887,1052 21.789,1053 36.688,1054 52.702,1055 53.364,1056 54.365,1057 52.426,1058 52.377,1059 71.959,1060 2.4,1061 160.562,1062 49.856,1063 5.643,1064 6.685,1065 6.787,1066 5.375,1067 5.377,1068 7.71,1069 1.2,1070 19.593,1071 5.09,1072 19.722,1073 1.55,1074 1.57,1075 1.599,1076 1.542,1077 1.54,1078 2.116,1079 0.071,1080 4.722,1081 1.466,1082 4.133,1083 4.171,1084 4.73,1085 4.071,1086 7.726,1087 4.035,1088 4.07,1089 4.062,1090 4.093,1091 4.008,1092 6.999,1093 3.978,1094 3.848,1095 3.896,1096 3.85,1097 3.672,1098 5.057,1099 3.691,1100 3.642,1101 3.646,1102 3.7,1103 3.547,1104 4.982,1105 3.474,1106 3.527,1107 3.585,1108 3.447,1109 3.352,1110 4.826,1111 3.364,1112 3.254,1113 3.343,1114 3.109,1115 3.071,1116 4.658,1117 3.064,1118 3.182,1119 3.275,1120 2.999,1121 2.969,1122 4.406,1123 2.962,1124 3.101,1125 3.209,1126 2.878,1127 2.887,1128 4.064,1129 2.871,1130 0.143,1131 0.138,1132 0.213,1133 0.126,1134 0.099,1135 4.845,1136 0.139,1137 4.685,1138 0.024,1139 7.24,1140 0.358,1141 4.298,1142 0.091,1143 3.377,1144 4.71,1145 0.8,1146 12.181,1147 3.09,1148 1.98,1149 1.982,1150 2.032,1151 2.073,1152 1.212,1153 2.086,1154 1.945,1155 1.921,1156 2.012,1157 2.027,1158 1.185,1159 2.037,1160 1.732,1161 1.686,1162 1.837,1163 1.903,1164 0.907,1165 1.894,1166 1.576,1167 1.504,1168 1.767,1169 1.846,1170 0.796,1171 1.824,1172 1.455,1173 1.479,1174 1.585,1175 1.647,1176 0.634,1177 1.688,1178 1.276,1179 1.19,1180 1.534,1181 1.54,1182 0.599,1183 1.559,1184 1.212,1185 1.13,1186 1.517,1187 1.434,1188 0.571,1189 1.471,1190 1.107,1191 1,1192 1.277,1193 1.374,1194 0.515,1195 1.43,1196 4.234,1198 5.609,1199 2.398,1200 7.165,1201 4.844,1202 8.797,1203 7.002,1204 10.47,1206 7.56,1210 5.298,1213 3.046,1217 1.932,1222 34.981,1223 92.832,1224 209.338,1225 254.093,1226 285.744,1227 287.744,1228 287.744,1229 54.45,1230 7.926,1231 119.03,1232 127.41,1233 23,1234 12.781,1235 4.644,1236 3.807,1237 49.612,1238 139,1239 116,1240 0.174,1241 220.046,1242 365.51,1243 528.671,1244 32767,1246 22.336,1247 0.721,1248 0.596,1249 22.586,1250 18.473,1251 14.63,1252 0.43,1253 0.326,1254 9.518,1255 13.273,1256 9.001,1257 7.557,1258 15.524,1259 11.085,1260 14.586,1261 0.286,1262 0.174,1263 15.954,1264 8.888,1265 11.723,1266 0.178,1267 0.095,1268 12.481,1269 6.29,1270 9.589,1271 0.113,1272 0.049,1273 10.318,1274 4.178,1275 7.514,1276 0.073,1277 0.025,1278 7.966,1279 2.524,1280 0.277,1281 100.934,1282 0.214,1283 29.198,1284 0.468,1285 170,1286 506.202,1287 221.141,1288 518.907,1289 714.91,1290 478,1291 202,1292 521.846,1293 261.213,1294 566.356,1295 818.81,1296 527,1297 5}
{0 CHEMBL491473,1 1.62,2 13.576,3 4.761,4 22.67,5 124.882,6 7.509,7 0.568,8 4.211,9 4.322,10 3.792,11 3.709,12 5.292,13 3.709,14 4.775,15 4.948,16 4.155,17 4.097,18 5.811,19 4.084,20 4.983,21 5.18,22 4.213,23 4.194,24 6.059,25 4.156,26 5.01,27 5.231,28 4.148,29 4.152,30 6.061,31 4.1,32 4.934,33 5.142,34 4.089,35 4.104,36 6.004,37 4.047,38 4.941,39 5.159,40 4.06,41 4.078,42 5.997,43 4.026,44 4.887,45 5.106,46 4.015,47 4.038,48 5.957,49 3.996,50 4.778,51 4.973,52 3.993,53 4.034,54 5.831,55 3.979,56 0.058,57 0.944,58 12.288,59 5.569,60 7.222,61 7.017,62 0.379,63 1.51,64 24.914,65 9.094,66 25.934,67 11.839,68 0.644,69 1.772,70 32.376,71 11.278,72 49.412,73 14.879,74 0.687,75 1.792,76 34.886,77 12.037,78 55.404,79 15.843,80 0.719,81 1.649,82 31.833,83 11.332,84 58.454,85 14.828,86 0.636,87 1.671,88 32.56,89 11.127,90 57.323,91 14.538,92 0.737,93 1.614,94 31.105,95 9.673,96 61.559,97 12.704,98 0.45,99 1.468,100 25.697,101 9.439,102 40.61,103 12.598,104 11,105 52,106 0.26,107 0.591,108 0.781,109 0.84,110 0.855,111 0.855,112 3.532,113 0.913,114 -4.48,115 -4.4,116 -4.15,118 41.7,119 1,120 3,123 1,124 4,136 5,137 2,138 4,140 1,141 1,142 1,146 2,161 4,163 2,164 11,168 4,169 3,172 1,173 8,177 1,179 4,182 3,183 5,189 6,192 3,193 3,195 1,200 5,202 2,203 7,208 5,210 1,211 4,214 1,216 1,217 3,219 1,220 8,224 1,226 4,229 5,231 1,233 1,235 3,238 2042,239 22.748,240 22.748,241 22.748,242 22.748,243 22.748,244 20.254,245 25.689,246 13.406,247 23.51,248 18.236,249 18.236,250 18.236,251 18.236,252 18.236,253 14.366,254 29.075,255 6.311,256 19.42,257 4.287,258 2.23,259 1.048,260 0.684,261 0.592,262 0.592,263 4.241,266 1,267 1,268 993,269 3.391,271 174.036,272 256.64,275 134.209,276 146.548,279 2.498,280 35.312,283 1,284 0.83,285 1,286 0.8,287 0.5,288 1,289 1,290 0.88,291 72.5,292 448,293 4.62,294 3.446,295 6.671,296 4.141,297 3.184,298 4.569,299 0.86,300 10.723,301 3.047,302 4.557,303 3.285,304 6.571,305 4.067,306 3.102,307 4.504,308 0.86,309 10.452,310 2.991,311 4.013,312 3.004,313 6.051,314 3.597,315 2.675,316 3.516,317 0.86,318 8.715,319 2.455,320 3.838,321 2.848,322 5.742,323 3.469,324 2.541,325 3.331,326 0.8,327 7.75,328 2.359,329 3.542,330 2.702,331 5.352,332 3.392,333 2.453,334 2.808,336 6.997,337 2.292,338 3.427,339 2.323,340 5.183,341 2.95,342 2.018,343 2.545,345 6.151,346 1.876,347 3.235,348 2.283,349 4.81,350 2.794,351 1.827,352 2.542,354 5.204,355 1.761,356 3.125,357 2.005,358 4.697,359 2.684,360 1.754,361 2.37,363 4.888,364 1.63,365 3.004,366 1.863,367 4.511,368 2.6,369 1.647,370 2.219,372 4.452,373 1.561,374 2.751,375 1.581,376 3.938,377 2.431,378 1.477,379 1.81,381 3.333,382 1.401,383 2.52,384 1.47,385 3.656,386 2.244,387 1.332,388 1.522,389 3.003,390 1.206,391 2.148,392 1.277,393 3.531,394 2.024,395 1.072,396 1.133,397 2.376,398 1.014,399 2.069,400 1.115,401 3.35,402 1.591,403 0.657,404 0.881,405 1.695,406 0.6,407 1.847,408 0.951,409 3.198,410 1.559,411 0.621,412 0.757,413 1.465,414 0.576,415 1.618,416 0.744,417 3,418 1.539,419 0.618,420 0.618,421 1.372,422 0.572,423 15.386,424 0.466,425 0.725,426 0.022,427 42,428 1.273,429 19.5,430 0.591,431 22.5,432 0.682,433 29.467,434 0.893,435 36.214,436 0.604,437 32.458,438 0.984,439 8.196,440 0.248,441 7.922,442 0.24,443 0.084,445 0.351,448 1,449 0.781,450 1.282,451 0.744,452 1.191,453 0.588,454 1,455 1.017,456 0.997,457 0.842,458 0.93,459 0.66,460 0.858,461 1.005,462 1.064,463 0.93,464 1.028,465 0.769,466 0.968,467 1.102,468 1.004,469 0.901,470 0.97,471 1.104,472 0.915,473 1.021,474 1.006,475 0.94,476 1.03,477 1.03,478 0.992,479 1.2,480 1.125,481 0.96,482 0.998,483 1.236,484 0.947,485 1.389,486 0.876,487 1.056,488 0.765,489 1.279,490 0.825,491 0.862,492 1.094,493 0.986,494 1.128,495 0.825,496 1.088,497 6,498 0.21,499 3.556,500 2.229,501 2.107,502 0.941,503 0.642,504 0.563,505 0.411,506 0.268,507 17177,508 41140,509 2.15,510 45,512 16,514 1,515 1,516 3,517 4,518 2,520 1.751,521 2.041,522 3.693,523 -0.352,528 97.18,529 1.62,530 3.677,531 4.859,532 5.223,533 5.315,534 5.315,535 3.279,536 4.741,537 5.009,538 3.903,539 2060.66,540 8.77,541 31239.1,543 1,546 354.413,547 1.301,548 4.989,549 0.162,550 0.007,551 0.068,552 0.043,553 0.044,554 0.021,555 0.015,556 0.013,557 0.01,558 0.007,559 0.39,560 0.17,561 0.88,562 0.62,563 176.565,564 -0.033,565 -0.195,566 0.072,567 -0.113,568 -0.003,569 -0.017,570 -0.058,571 0.007,572 0.078,573 0.066,574 0.044,575 0.096,576 0.054,577 -0.065,578 0.035,579 -0.04,580 0.146,581 -0.006,582 0.048,583 0.005,584 0.106,585 0.022,586 0.057,587 0.064,588 0.121,589 -0.01,590 0.052,591 -0.025,592 0.076,593 -0.011,594 -0.018,595 -0.099,596 0.05,597 -0.005,598 -0.009,599 0.028,600 -0.141,601 0.162,602 -0.036,603 0.184,604 -0.084,605 0.11,606 0.039,607 -0.081,608 -0.056,609 -0.125,610 0.022,611 -0.112,612 2.103,613 7.026,614 0.727,615 40.777,616 1.008,617 1.132,618 3.246,619 10.539,620 0.658,621 3.638,622 3.97,623 4.277,624 4.564,625 4.771,626 4.875,627 5.011,628 5.182,629 5.293,630 5.375,631 7.904,632 0.632,633 450.56,634 3.638,635 5.187,636 6.052,637 6.938,638 7.82,639 8.711,640 9.6,641 10.494,642 11.387,643 12.284,644 6.7,647 1,652 1,654 2,656 4,657 6,658 2,659 1,662 6,664 21,677 3,678 1,679 60,680 21,681 2,682 37,684 64,685 25,686 16,687 8,688 4,690 5,691 7,694 1,697 2,700 3,702 16,703 9,716 1,718 27,719 7,720 1,721 8,726 4,729 0.6,730 3,740 1,741 1,742 1,744 2,745 3,748 1,749 1,763 1,766 3,770 2,772 1,774 33,780 7,782 3,785 1,794 1,795 5,800 3,801 16.167,802 11.493,803 7.25,804 3.763,805 4.357,806 1.52,807 1.007,808 6.45,809 12.731,810 3.882,811 4.53,812 5.18,813 5.827,814 6.406,815 6.783,816 7.209,817 7.673,818 8.015,819 8.307,820 1,821 52,822 12.269,823 5.289,824 7.687,825 23.57,826 19.53,827 2.187,828 72.167,831 1,832 306.049,833 136.078,834 53.481,836 33,837 14.96,839 136.078,840 339.048,841 68.441,842 19.708,843 18.513,844 47.381,845 45.342,846 93.669,847 24.676,848 294.278,850 306.049,851 189.559,852 47.96,855 250.382,856 103.626,858 58.011,859 97.977,860 33.571,862 321.009,863 86.481,864 136.078,867 306.049,868 60.37,869 78.832,870 16.786,871 81.531,872 306.049,873 101.441,874 136.078,876 0.579,877 0.348,878 0.195,879 0.101,880 26,881 11,882 0.125,883 8,884 2,885 1.167,886 4.499,887 310.121,888 0.167,889 24,890 162.465,894 22.084,895 9.638,896 4.671,897 2.446,898 84.655,899 10.13,900 8.596,901 3.124,904 1.971,906 16.786,907 543.567,908 47.5,916 60.505,917 67.944,918 0.274,919 0.622,920 0.823,921 0.884,922 0.9,923 0.9,924 5.125,925 1.754,926 6.033,927 5.204,928 4.654,929 5.218,930 1.856,931 6.855,932 4.535,933 6.337,934 1.647,935 7.595,936 4.888,937 4.205,938 5.13,939 0.325,940 7.756,941 4.034,942 7.657,943 1.477,944 9.258,945 4.452,946 6.256,947 7.516,948 1.557,949 10.879,950 6.036,951 9.019,952 1.332,953 10.98,954 3.333,955 6.661,956 8.298,957 0.268,958 12.618,959 6.392,960 10.416,961 1.072,962 12.741,963 3.003,964 8.145,965 10.155,966 1.308,967 15.246,968 7.839,969 11.838,970 0.657,971 14.528,972 2.376,973 8.944,974 11.334,975 0.188,976 17.332,977 8.593,978 13.279,979 0.621,980 16.335,981 1.695,982 10.209,983 12.985,984 1.087,985 19.789,986 9.824,987 3.184,988 0.618,989 18.156,990 1.465,991 11.191,992 14.347,993 0.125,994 22.025,995 10.766,996 3.102,997 10.723,998 19.989,999 1.372,1000 12.371,1001 15.915,1002 0.89,1003 24.419,1004 11.912,1005 2.675,1006 10.452,1007 21.831,1008 4.569,1009 13.437,1010 17.359,1011 0.082,1012 26.721,1013 12.94,1014 2.541,1015 8.715,1016 23.68,1017 4.504,1018 14.587,1019 18.893,1020 0.718,1021 29.092,1022 14.056,1023 2.453,1024 7.75,1025 25.534,1026 3.516,1027 15.692,1028 20.374,1029 0.054,1030 31.425,1031 15.124,1032 2.018,1033 6.997,1034 27.394,1035 3.331,1036 16.833,1037 21.894,1038 0.571,1039 33.788,1040 16.229,1041 1.827,1042 6.151,1043 29.259,1044 2.808,1045 17.958,1046 23.393,1047 0.035,1048 36.134,1049 17.316,1050 15867,1051 24894,1052 25.255,1053 39.461,1054 54.966,1055 56.457,1056 56.473,1057 55.235,1058 55.254,1059 71.726,1060 6.76,1061 159.889,1062 51.828,1063 5.59,1064 5.446,1065 6.382,1066 5.244,1067 5.184,1068 7.569,1069 1.72,1070 18.01,1071 5.047,1072 13.396,1073 1.486,1074 1.526,1075 1.526,1076 1.493,1077 1.493,1078 1.939,1079 0.183,1080 4.321,1081 1.401,1082 4.143,1083 4.172,1084 4.114,1085 4.043,1086 8.201,1087 4.056,1088 4.04,1089 4.065,1090 4.014,1091 3.943,1092 5.134,1093 3.957,1094 3.861,1095 3.932,1096 3.729,1097 3.693,1098 4.918,1099 3.691,1100 3.579,1101 3.622,1102 3.504,1103 3.392,1104 4.775,1105 3.405,1106 3.494,1107 3.542,1108 3.39,1109 3.351,1110 4.502,1111 3.347,1112 3.409,1113 3.46,1114 3.286,1115 3.207,1116 4.451,1117 3.228,1118 3.17,1119 3.24,1120 3.013,1121 2.93,1122 4.322,1123 2.94,1124 3.024,1125 3.088,1126 2.925,1127 2.822,1128 4.076,1129 2.834,1130 0.125,1131 0.093,1132 0.18,1133 0.112,1134 0.086,1135 4.62,1136 0.123,1137 3.446,1138 0.023,1139 6.671,1140 0.29,1141 4.141,1142 0.082,1143 3.184,1144 4.569,1145 0.86,1146 10.723,1147 3.047,1148 1.997,1149 1.982,1150 2.045,1151 2.119,1152 1.24,1153 2.096,1154 1.901,1155 1.884,1156 1.964,1157 1.999,1158 1.211,1159 1.988,1160 1.663,1161 1.595,1162 1.901,1163 1.883,1164 1.165,1165 1.893,1166 1.606,1167 1.547,1168 1.86,1169 1.793,1170 1.114,1171 1.799,1172 1.577,1173 1.507,1174 1.806,1175 1.751,1176 0.909,1177 1.793,1178 1.379,1179 1.337,1180 1.617,1181 1.647,1182 0.886,1183 1.628,1184 1.289,1185 1.216,1186 1.589,1187 1.559,1188 0.584,1189 1.573,1190 1.126,1191 1.059,1192 1.369,1193 1.382,1194 0.443,1195 1.394,1196 4.317,1198 5.645,1199 3.045,1200 7.165,1201 5.283,1202 8.781,1203 7.273,1204 10.452,1206 3.473,1208 15.026,1212 7.491,1214 17.449,1217 2.461,1222 37.935,1223 97.18,1224 220.591,1225 291.52,1226 313.394,1227 318.904,1228 318.904,1229 56.611,1230 8.374,1231 72.5,1232 72.5,1233 28,1234 12.809,1235 4.459,1236 3.524,1237 47.967,1238 154,1239 166,1240 0.149,1241 227.63,1242 388.34,1243 547.176,1244 58561,1245 1.7,1246 22.786,1247 0.69,1248 0.571,1249 21.916,1250 18.858,1251 16.119,1252 0.436,1253 0.304,1254 11.048,1255 15.306,1256 10.798,1257 8.926,1258 15.691,1259 11.257,1260 14.382,1261 0.277,1262 0.16,1263 13.961,1264 8.343,1265 12.562,1266 0.177,1267 0.085,1268 11.939,1269 6.003,1270 10.724,1271 0.113,1272 0.046,1273 10.336,1274 4.342,1275 8.443,1276 0.072,1277 0.023,1278 8.099,1279 2.662,1280 0.237,1281 102.346,1282 0.199,1283 31.049,1284 0.398,1285 178,1286 578.586,1287 200.203,1288 521.051,1289 717.28,1290 492,1291 212,1292 534.902,1293 235.833,1294 531.359,1295 785.64,1296 499,1297 5}
{0 CHEMBL494089,1 1.633,2 10.226,3 1.839,4 3.383,5 117.484,6 7.337,7 0.441,8 4.177,9 4.306,10 3.724,11 3.613,12 5.301,13 3.615,14 4.724,15 4.917,16 4.099,17 4.009,18 5.793,19 3.997,20 4.962,21 5.18,22 4.127,23 4.137,24 6.028,25 4.082,26 5.008,27 5.256,28 4.141,29 4.13,30 5.989,31 4.073,32 4.865,33 5.063,34 4.153,35 4.107,36 5.923,37 4.086,38 4.962,39 5.152,40 4.205,41 4.179,42 6.093,43 4.151,44 5.06,45 5.28,46 4.191,47 4.198,48 6.178,49 4.144,50 5.003,51 5.247,52 3.964,53 4.127,54 5.95,55 4.031,56 0.189,57 0.894,58 12.784,59 4.687,60 19.748,61 6.664,62 0.323,63 1.386,64 24.179,65 7.835,66 34.585,67 11.55,68 0.662,69 1.584,70 32.423,71 10.069,72 65.938,73 14.886,74 0.765,75 1.589,76 35.185,77 10.417,78 55.895,79 15.813,80 0.445,81 1.531,82 28.462,83 8.521,84 37.944,85 12.822,86 0.584,87 1.685,88 31.229,89 8.874,90 54.292,91 13.487,92 0.88,93 1.752,94 35.761,95 9.718,96 75.414,97 15.157,98 0.601,99 1.588,100 34.2,101 10.099,102 55.822,103 15.703,104 32,105 49,106 0.266,107 0.622,108 0.791,109 0.852,110 0.852,111 0.852,112 3.473,113 0.921,114 -3.08,115 -3.08,116 -2.96,118 36.2,119 3,120 2,121 1,124 4,127 1,135 2,138 1,139 1,140 3,141 1,146 1,152 1,154 1,155 1,156 1,157 2,161 3,163 2,164 3,165 1,166 1,168 5,169 4,172 5,173 3,174 2,175 2,177 2,179 2,182 6,183 4,184 2,185 3,193 8,195 1,202 2,203 10,205 1,207 1,208 1,209 1,210 4,211 8,213 2,214 5,216 1,217 3,218 1,220 6,222 2,224 1,226 3,227 1,229 5,231 1,233 4,235 5,237 1,238 1787,239 20.731,240 20.731,241 20.731,242 20.731,243 20.731,244 18.794,245 25.311,246 12.073,247 21.286,248 16.736,249 16.736,250 16.736,251 16.736,252 16.736,253 13.57,254 27.057,255 5.647,256 17.635,257 4.225,258 2.041,259 1.001,260 0.625,261 0.625,262 0.625,263 4.164,266 1,267 1,268 676,269 3.937,271 141.873,272 187.538,275 126.052,279 1.652,280 32.754,283 1,284 0.83,285 1,286 0.8,287 0.5,288 1,289 1,290 0.88,291 68.5,292 317,293 4.798,294 3.811,295 7.083,296 4.315,297 3.37,298 4.775,299 1.128,300 12.281,301 3.185,302 4.364,303 3.464,304 6.46,305 4.058,306 3.102,307 3.942,308 0.86,309 9.999,310 2.955,311 4.241,312 3.006,313 6.393,314 3.848,315 2.891,316 3.524,317 0.4,318 9.889,319 2.763,320 3.796,321 2.831,322 5.85,323 3.508,324 2.535,325 3.119,327 7.957,328 2.469,329 3.642,330 2.616,331 5.514,332 3.348,333 2.4,334 3.014,336 7.081,337 2.27,338 3.473,339 2.424,340 5.323,341 3.15,342 2.221,343 2.501,345 6.73,346 2.054,347 3.18,348 1.8,349 4.729,350 2.522,351 1.582,352 2.184,354 4.632,355 1.483,356 2.925,357 1.667,358 4.506,359 2.44,360 1.492,361 1.878,363 4.115,364 1.414,365 2.667,366 1.607,367 3.844,368 2.384,369 1.445,370 1.587,372 3.15,373 1.352,374 2.561,375 1.211,376 3.638,377 2.103,378 1.134,379 1.524,381 2.619,382 1.097,383 2.498,384 1.181,385 3.43,386 1.956,387 1,388 1.369,389 2.136,390 0.954,391 2.236,392 1.129,393 3.384,394 1.819,395 0.875,396 1.081,397 2.125,398 0.822,399 2,400 0.977,401 3.247,402 1.698,403 0.783,404 1,405 1.964,406 0.712,407 1.813,408 0.73,409 3.211,410 1.53,411 0.591,412 0.711,413 1.335,414 0.552,415 1.537,416 0.431,417 2.957,418 1.228,419 0.278,420 0.336,421 0.483,422 0.263,423 14.3,424 0.461,425 0.888,426 0.029,427 36.25,428 1.169,429 15,430 0.484,431 21.25,432 0.685,433 31.557,434 1.018,435 34.9,436 0.602,437 28.911,438 0.933,439 6.695,440 0.216,441 8.176,442 0.264,443 0.156,444 0.035,445 0.308,449 0.839,450 1.432,451 0.814,452 1.172,453 0.971,454 1.013,455 0.904,456 1.199,457 0.755,458 1.029,459 0.624,460 0.883,461 0.947,462 1.035,463 0.929,464 1.028,465 1.036,466 0.994,467 0.795,468 0.84,469 0.761,470 0.834,471 0.583,472 0.804,473 1.139,474 1.2,475 0.918,476 1.016,477 0.828,478 0.931,479 1.25,480 1.27,481 1.127,482 1.136,483 1.017,484 1.104,485 0.986,486 1.047,487 1.122,488 1.071,489 1.016,490 1.103,491 0.892,492 1.073,493 1.091,494 1.124,495 0.769,496 1.13,497 6.5,498 0.203,499 3.556,500 2.104,501 2.016,502 1.49,503 0.848,504 0.794,505 0.454,506 0.316,507 11698,508 30519,509 2.057,510 46.6,511 2,512 8,514 1,515 4,517 11,518 1,520 1.746,521 1.908,522 3.3,523 1.664,525 1,528 94.736,529 1.633,530 3.817,531 4.857,532 5.233,533 5.233,534 5.233,535 2.777,536 4.518,537 4.918,538 3.515,539 1634.28,540 8.647,541 22872.1,543 1,545 1,546 339.763,547 1.595,548 4.87,549 0.191,550 0.007,551 0.073,552 0.044,553 0.041,554 0.029,555 0.016,556 0.016,557 0.012,558 0.009,559 0.438,560 0.17,561 1,562 1.159,563 158.544,564 0.056,565 -0.13,566 0.055,567 -0.023,568 -0.074,569 0.009,570 0.004,571 -0.055,572 0.172,573 0.033,574 0.191,575 0.121,576 0.065,577 0.007,578 0.034,579 -0.003,580 0.035,581 -0.002,582 0.18,583 0.14,584 0.225,585 0.156,586 0.117,587 0.187,588 -0.122,589 -0.085,590 0.029,591 0.02,592 -0.024,593 0.054,594 -0.16,595 -0.122,596 -0.176,597 -0.128,598 -0.07,599 -0.149,600 0.063,601 0.048,602 -0.151,603 -0.11,604 -0.024,605 -0.16,606 -0.042,607 -0.051,608 -0.136,609 -0.123,611 -0.136,612 2.409,613 4.022,614 0.645,615 33.205,616 1.009,617 1.143,618 1.85,619 3.424,620 0.638,621 3.555,622 3.912,623 4.174,624 4.489,625 4.736,626 4.913,627 5.1,628 5.288,629 5.38,630 5.398,631 6.431,632 0.613,633 425.55,634 3.555,635 5.118,636 5.974,637 6.878,638 7.763,639 8.677,640 9.577,641 10.498,642 11.409,643 12.334,644 12.1,646 1,648 1,652 1,654 4,656 2,657 1,658 4,660 1,662 5,663 1,664 15,673 1,677 1,679 58,680 16,682 34,684 61,685 21,686 8,690 4,691 5,694 3,697 2,698 1,700 2,701 2,702 8,703 11,704 2,715 1,718 27,719 9,720 4,721 10,724 1,726 7,729 0.75,730 3,733 1,739 1,744 2,745 2,748 1,752 2,762 1,764 1,766 3,770 3,774 31,775 1,779 1,780 6,781 1,782 1,784 1,786 1,787 1,793 2,795 5.2,796 1,800 2,801 16.25,802 11.283,803 6.736,804 3.675,805 3.184,806 1.408,807 0.93,808 6.263,809 10.987,810 3.795,811 4.413,812 5.069,813 5.726,814 6.276,815 6.815,816 7.342,817 7.822,818 8.162,819 8.432,820 0.857,821 48,822 11.447,823 4.883,824 7.75,825 21.801,826 17.87,827 2.25,828 69.75,832 270.735,833 105.264,834 125.571,836 63.644,839 105.264,840 334.379,841 125.571,842 26.476,843 15.979,844 93.591,845 86.863,846 44.808,847 38.533,848 258.964,850 270.735,851 230.835,852 63.644,855 129.482,856 162.214,857 42.683,858 81.397,859 42.613,860 106.825,862 270.735,863 189.215,864 105.264,867 270.735,868 35.68,869 37.422,870 52.072,871 169.306,872 270.735,873 189.215,874 105.264,876 0.586,877 0.328,878 0.182,879 0.103,880 24,881 11,882 0.082,883 5,884 1,885 1.1,886 4.078,887 290.216,888 0.1,889 20,890 151.58,894 21.728,895 8.935,896 4.73,897 1.3,898 187.316,899 1.662,900 16.786,902 4.782,904 2.053,905 1.941,906 93.591,907 565.215,908 43.5,916 58.531,917 66.268,918 0.279,919 0.652,920 0.829,921 0.893,922 0.893,923 0.893,924 5.074,925 1.492,926 5.999,927 4.632,928 4.595,929 5.1,930 1.676,931 6.868,932 4.491,933 6.315,934 1.445,935 7.595,936 4.115,937 4.369,938 5.027,940 8.034,941 4.218,942 7.657,943 1.134,944 9.3,945 3.15,946 6.282,947 7.382,948 1.684,949 11.079,950 6.08,951 9.04,952 1,953 11.068,954 2.619,955 6.868,956 8.191,958 13.036,959 6.613,960 10.457,961 0.875,962 12.876,963 2.136,964 8.291,965 10.027,966 1.782,967 15.672,968 7.987,969 11.9,970 0.783,971 14.71,972 2.125,973 9.213,974 11.239,976 17.931,977 8.853,978 13.361,979 0.591,980 16.563,981 1.964,982 10.467,983 12.882,984 1.924,985 20.451,986 10.057,987 3.37,988 0.278,989 18.43,990 1.335,991 11.534,992 14.281,994 22.837,995 11.067,996 3.102,997 12.281,998 20.309,999 0.483,1000 12.732,1001 15.857,1002 2.095,1003 25.327,1004 12.212,1005 2.891,1006 9.999,1007 22.196,1008 4.775,1009 13.863,1010 17.342,1012 27.77,1013 13.285,1014 2.535,1015 9.889,1016 24.092,1017 3.942,1018 15.046,1019 18.898,1020 2.286,1021 30.256,1022 14.414,1023 2.4,1024 7.957,1025 25.993,1026 3.524,1027 16.207,1028 20.421,1030 32.728,1031 15.517,1032 2.221,1033 7.081,1034 27.901,1035 3.119,1036 17.389,1037 21.974,1038 2.49,1039 35.217,1040 16.643,1041 1.582,1042 6.73,1043 29.813,1044 3.014,1045 18.566,1046 23.515,1048 37.703,1049 17.762,1050 11343,1051 18582,1052 22.364,1053 37.017,1054 53.082,1055 52.007,1056 52.67,1057 51.404,1058 51.398,1059 65.09,1060 4.776,1061 152.991,1062 48.685,1063 5.798,1064 5.811,1065 6.885,1066 5.397,1067 5.37,1068 7.775,1069 2.256,1070 19.91,1071 5.139,1072 16.436,1073 1.561,1074 1.53,1075 1.549,1076 1.512,1077 1.512,1078 1.914,1079 0.14,1080 4.5,1081 1.432,1082 4.147,1083 4.185,1084 4.134,1085 3.996,1086 6.453,1087 4.026,1088 3.852,1089 3.916,1090 3.77,1091 3.704,1092 5.437,1093 3.698,1094 3.778,1095 3.815,1096 3.71,1097 3.599,1098 5.091,1099 3.616,1100 3.687,1101 3.728,1102 3.603,1103 3.485,1104 4.85,1105 3.523,1106 3.478,1107 3.554,1108 3.347,1109 3.273,1110 4.626,1111 3.273,1112 3.316,1113 3.378,1114 3.175,1115 3.118,1116 4.557,1117 3.117,1118 3.126,1119 3.209,1120 2.986,1121 2.945,1122 4.362,1123 2.933,1124 3.058,1125 3.154,1126 2.921,1127 2.89,1128 4.195,1129 2.913,1130 0.141,1131 0.112,1132 0.208,1133 0.127,1134 0.099,1135 4.798,1136 0.14,1137 3.811,1138 0.033,1139 7.083,1140 0.361,1141 4.315,1142 0.094,1143 3.37,1144 4.775,1145 1.128,1146 12.281,1147 3.185,1148 1.902,1149 1.876,1150 2.058,1151 2.053,1152 1.422,1153 2.049,1154 1.824,1155 1.767,1156 1.955,1157 1.991,1158 1.146,1159 1.991,1160 1.687,1161 1.642,1162 1.883,1163 1.872,1164 1.001,1165 1.871,1166 1.598,1167 1.55,1168 1.774,1169 1.793,1170 0.927,1171 1.789,1172 1.385,1173 1.313,1174 1.588,1175 1.624,1176 0.871,1177 1.618,1178 1.289,1179 1.223,1180 1.551,1181 1.527,1182 0.599,1183 1.54,1184 1.093,1185 1.035,1186 1.417,1187 1.477,1188 0.592,1189 1.392,1190 1.021,1191 0.918,1192 1.384,1193 1.328,1194 0.469,1195 1.357,1196 4.234,1198 5.58,1199 3.045,1200 7.107,1201 5.416,1202 8.722,1203 7.545,1204 10.389,1206 5.223,1210 5.931,1211 10.022,1212 5.417,1213 3.405,1214 6.211,1216 0.436,1218 -1.159,1221 5.742,1222 35.562,1223 94.736,1224 221.391,1225 281.724,1226 303.498,1227 303.498,1228 303.498,1229 59.71,1230 7.803,1231 137.14,1232 137.14,1233 22,1234 12.842,1235 4.087,1236 3.392,1237 48.939,1238 113,1239 135,1240 0.205,1241 218.766,1242 371.97,1243 525.548,1244 24280,1246 22.01,1247 0.71,1248 0.58,1249 22.01,1250 17.974,1251 14.87,1252 0.437,1253 0.307,1254 10.248,1255 14.082,1256 9.958,1257 8.295,1258 14.87,1259 10.438,1260 14.063,1261 0.287,1262 0.167,1263 14.063,1264 8.178,1265 11.026,1266 0.172,1267 0.08,1268 11.026,1269 5.138,1270 9.406,1271 0.107,1272 0.041,1273 9.406,1274 3.636,1275 7.65,1276 0.068,1277 0.022,1278 7.65,1279 2.502,1280 0.313,1281 94.727,1282 0.211,1283 28.671,1284 0.594,1285 166,1286 505.491,1287 187.734,1288 484.063,1289 670.27,1290 452,1291 196,1292 521.033,1293 219.956,1294 517.907,1295 756.84,1296 485,1297 5}
{0 CHEMBL509032,1 1.669,2 16.976,3 5.342,4 28.539,5 170.073,6 7.491,7 0.391,8 4.496,9 4.621,10 4.163,11 4.017,12 5.479,13 3.968,14 5.087,15 5.281,16 4.512,17 4.43,18 6.136,19 4.363,20 5.368,21 5.577,22 4.642,23 4.636,24 6.374,25 4.539,26 5.512,27 5.748,28 4.531,29 4.679,30 6.503,31 4.55,32 5.508,33 5.768,34 4.534,35 4.659,36 6.41,37 4.527,38 5.461,39 5.721,40 4.567,41 4.606,42 6.38,43 4.475,44 5.352,45 5.6,46 4.534,47 4.505,48 6.362,49 4.394,50 5.262,51 5.504,52 4.401,53 4.44,54 6.273,55 4.314,56 0.076,57 1.264,58 20.736,59 7.815,60 18.574,61 10.317,62 0.513,63 2.034,64 39.117,65 12.934,66 65.567,67 17.58,68 0.659,69 2.533,70 58.987,71 17.554,72 70.348,73 23.955,74 0.886,75 2.662,76 63.492,77 20.784,78 112.54,79 28.418,80 0.721,81 2.642,82 62.501,83 20.106,84 86.361,85 29.046,86 0.73,87 2.492,88 65.052,89 18.696,90 85.627,91 26.67,92 0.879,93 2.241,94 58.969,95 16.151,96 93.724,97 23.233,98 0.792,99 2.048,100 52.656,101 15.458,102 87.343,103 22.089,104 55,105 66,106 0.253,107 0.547,108 0.741,109 0.808,110 0.836,111 0.836,112 3.765,113 1.065,114 -4.41,115 -4.34,116 -4.09,118 36.6,119 2,120 2,123 2,124 6,125 2,136 7,138 6,139 1,141 1,144 1,161 4,163 2,164 7,166 3,168 2,169 5,172 1,173 10,175 1,177 5,179 2,182 2,183 8,185 3,186 1,187 1,189 6,192 2,193 10,195 1,197 3,200 7,202 2,203 6,207 2,208 4,210 3,211 7,214 1,216 6,217 2,219 3,220 2,222 2,224 1,226 5,229 9,231 2,233 2,235 4,238 3848,239 28.021,240 28.021,241 28.021,242 28.021,243 28.021,244 25.553,245 45.937,246 16.129,247 29.213,248 22.581,249 22.581,250 22.581,251 22.581,252 22.581,253 18.7,254 76.143,255 7.52,256 24.496,257 4.689,258 2.745,259 1.469,260 1.022,261 0.842,262 0.842,263 4.464,264 1,267 1,268 1538,269 4.243,272 778.263,279 2.931,280 44.704,283 0.75,284 0.67,285 0.67,286 0.9,287 1,288 0.83,289 1,290 0.83,291 90.833,292 713,293 4.948,294 5.35,295 7.68,296 4.389,297 3.523,298 4.789,299 2.95,300 13.626,301 3.028,302 4.34,303 3.27,304 6.301,305 3.966,306 3.018,307 3.977,308 0.86,309 9.609,310 2.863,311 4.239,312 3.232,313 6.164,314 3.829,315 2.907,316 3.87,317 0.8,318 9.113,319 2.7,320 3.922,321 3.133,322 6.138,323 3.769,324 2.841,325 3.433,326 0.8,327 9.005,328 2.586,329 3.88,330 3.094,331 5.981,332 3.543,333 2.615,334 3.101,335 0.8,336 8.504,337 2.424,338 3.756,339 2.924,340 5.874,341 3.411,342 2.465,343 2.851,344 0.4,345 7.768,346 2.305,347 3.463,348 2.614,349 5.212,350 3.223,351 2.296,352 2.752,353 0.4,354 6.436,355 2.127,356 3.309,357 2.467,358 5.046,359 3.031,360 2.135,361 2.321,363 6.101,364 1.895,365 2.967,366 2.295,367 4.709,368 2.617,369 1.668,370 2.145,372 4.617,373 1.576,374 2.889,375 1.895,376 4.528,377 2.527,378 1.599,379 2.025,381 4.233,382 1.47,383 2.81,384 1.815,385 4.327,386 2.455,387 1.52,388 1.9,389 4.038,390 1.408,391 2.785,392 1.717,393 4.172,394 2.429,395 1.46,396 1.846,397 3.542,398 1.401,399 2.715,400 1.428,401 4.155,402 2.239,403 1.3,404 1.794,405 3.533,406 1.197,407 2.435,408 1.378,409 3.754,410 2.186,411 1.238,412 1.349,413 3.032,414 1.169,415 2.323,416 1.146,417 3.551,418 2,419 1,420 1.316,421 2.419,422 1,423 20.348,424 0.484,425 1.194,426 0.028,427 51.5,428 1.226,429 23,430 0.548,431 28.5,432 0.679,433 45.665,434 1.087,435 47.452,436 0.579,437 44.618,438 1.062,439 9.545,440 0.227,441 10.605,442 0.253,443 0.166,444 0.041,445 0.305,449 0.715,450 1.607,451 0.776,452 1.256,453 0.66,454 1.061,455 0.977,456 1.07,457 0.824,458 0.885,459 0.601,460 0.869,461 0.988,462 1.186,463 1.113,464 1.204,465 0.84,466 1.053,467 1.096,468 1.009,469 0.933,470 0.996,471 1.404,472 1.041,473 0.776,474 1.001,475 0.727,476 0.895,477 0.812,478 0.931,479 0.974,480 1.007,481 0.825,482 0.845,483 0.689,484 0.909,485 1.007,486 0.941,487 0.953,488 0.9,489 0.699,490 0.91,491 0.875,492 1.033,493 1.015,494 0.956,495 0.757,496 1.004,497 10,498 0.347,499 6.222,500 2.75,501 2.471,502 1.722,503 1.336,504 0.8,505 0.542,506 0.401,507 32680,508 80267,509 2.054,510 48.8,512 27,514 1,515 2,517 6,518 4,520 1.808,521 1.902,522 3.996,523 0.173,528 136.829,529 1.669,530 3.612,531 4.889,532 5.336,533 5.516,534 5.516,535 3.529,536 4.916,537 5.362,538 4.222,539 3635.4,540 9.462,541 67680.4,546 521.319,547 1.583,548 5.308,549 0.217,550 0.007,551 0.094,552 0.038,553 0.038,554 0.026,555 0.022,556 0.014,557 0.01,558 0.008,559 0.475,560 0.17,561 0.63,562 0.897,563 244.023,564 0.037,565 -0.294,566 0.136,567 -0.099,568 -0.096,569 -0.016,570 0.038,571 0.104,572 0.086,573 0.124,574 0.203,575 0.103,576 -0.002,577 -0.058,578 -0.059,579 -0.116,580 0.097,581 -0.058,582 -0.025,583 -0.019,584 -0.056,585 -0.029,586 -0.052,587 -0.06,588 0.066,589 -0.036,590 0.1,591 0.034,592 0.034,593 0.057,594 -0.018,595 -0.03,596 0.112,597 0.078,598 0.039,599 0.061,600 0.07,601 0.054,602 0.088,603 0.038,604 0.122,605 0.055,606 0.121,607 -0.039,608 0.016,609 -0.012,610 0.092,611 -0.023,612 4.439,613 5.909,614 0.714,615 58.993,616 1.001,617 1.135,618 3.18,619 10.109,620 0.657,621 3.85,622 4.205,623 4.477,624 4.682,625 4.942,626 5.004,627 5.147,628 5.252,629 5.38,630 5.537,631 9.788,632 0.613,633 614.29,634 3.85,635 5.416,636 6.275,637 7.159,638 8.034,639 8.919,640 9.799,641 10.684,642 11.566,643 12.453,644 8.5,647 2,650 1,652 2,654 2,657 8,658 2,662 8,664 18,674 2,675 1,677 1,678 1,679 82,680 20,681 2,682 46,684 86,685 30,686 16,687 5,688 7,690 5,691 5,692 1,694 2,697 3,700 4,702 16,703 14,706 2,708 1,709 2,718 40,719 10,720 2,721 12,722 2,726 7,729 1,730 3,740 1,745 5,763 2,766 5,768 1,770 4,771 1,774 42,777 1,780 8,781 2,782 1,784 2,785 3,794 1,795 3.7,798 2,800 1,801 22.083,802 15.643,803 9.139,804 4.995,805 3.708,806 1.419,807 0.973,808 9.927,809 12.552,810 4.06,811 4.649,812 5.149,813 5.621,814 6.14,815 6.328,816 6.685,817 7.026,818 7.376,819 7.775,820 1,821 72,822 15.822,823 6.965,824 7.679,825 30.315,826 25.451,827 2.179,828 91.528,832 447.302,833 158.852,834 78.966,835 39.149,836 55.313,838 6.046,839 152.806,840 541.763,841 78.966,842 36.93,843 17.703,844 72.38,845 89.655,846 84.007,847 4.227,848 435.531,849 39.149,850 447.302,851 231.772,852 55.313,853 45.195,855 329.591,856 173.024,858 88.57,859 109.63,860 78.766,862 447.302,863 134.278,864 198.001,866 6.046,867 447.302,868 40.495,869 121.684,870 36.022,871 128.033,872 447.302,873 134.278,874 198.001,876 0.592,877 0.353,878 0.175,879 0.099,880 31,881 15,882 0.105,883 9,885 1,886 5.054,887 424.576,889 30,890 214.477,893 1,894 30.985,895 13.456,896 7.207,898 134.278,899 14.298,900 8.877,904 3.95,906 36.022,907 779.581,908 57,910 -3.522,911 25.817,916 82.116,917 93.039,918 0.262,919 0.568,920 0.769,921 0.839,922 0.868,923 0.868,924 5.335,925 2.135,926 6.293,927 6.436,928 4.89,929 5.338,930 3.153,931 7.146,932 4.731,933 6.548,934 1.668,935 7.892,936 6.101,937 4.635,938 5.352,939 0.766,940 8.31,941 4.315,942 7.883,943 1.599,944 9.603,945 4.617,946 6.564,947 7.565,948 5.044,949 11.371,950 6.218,951 9.259,952 1.52,953 11.384,954 4.233,955 7.124,956 8.42,957 0.653,958 13.41,959 6.59,960 10.675,961 1.46,962 13.213,963 4.038,964 8.566,965 10.183,966 7.186,967 16.09,968 7.995,969 12.119,970 1.3,971 15.079,972 3.542,973 9.485,974 11.408,975 0.482,976 18.478,977 8.723,978 13.587,979 1.238,980 16.975,981 3.533,982 10.76,983 13.019,984 9.348,985 21.081,986 9.928,987 3.523,988 1,989 18.894,990 3.032,991 11.842,992 14.414,993 0.337,994 23.605,995 10.829,996 3.018,997 13.626,998 20.833,999 2.419,1000 13.066,1001 15.975,1002 11.511,1003 26.201,1004 11.949,1005 2.907,1006 9.609,1007 22.789,1008 4.789,1009 14.225,1010 17.45,1011 0.229,1012 28.778,1013 12.934,1014 2.841,1015 9.113,1016 24.76,1017 3.977,1018 15.441,1019 18.998,1020 13.675,1021 31.38,1022 14.021,1023 2.615,1024 9.005,1025 26.742,1026 3.87,1027 16.639,1028 20.514,1029 0.153,1030 33.977,1031 15.05,1032 2.465,1033 8.504,1034 28.735,1035 3.433,1036 17.861,1037 22.061,1038 15.838,1039 36.584,1040 16.127,1041 2.296,1042 7.768,1043 30.736,1044 3.101,1045 19.08,1046 23.598,1047 0.1,1048 39.189,1049 17.179,1050 30869,1051 48895,1052 30.224,1053 53.853,1054 69.39,1055 71.442,1056 72.024,1057 69.358,1058 69.2,1059 85.338,1060 14.02,1061 204.493,1062 63.913,1063 5.948,1064 7.35,1065 7.359,1066 5.487,1067 5.523,1068 7.789,1069 5.9,1070 21.688,1071 5.028,1072 24.449,1073 1.508,1074 1.553,1075 1.566,1076 1.508,1077 1.504,1078 1.855,1079 0.305,1080 4.445,1081 1.389,1082 4.117,1083 4.11,1084 4.748,1085 4.123,1086 7.714,1087 4.025,1088 3.998,1089 4.03,1090 4.019,1091 3.883,1092 6.999,1093 3.887,1094 3.877,1095 3.934,1096 3.903,1097 3.712,1098 5.102,1099 3.72,1100 3.811,1101 3.853,1102 3.764,1103 3.684,1104 4.853,1105 3.678,1106 3.694,1107 3.742,1108 3.693,1109 3.599,1110 4.705,1111 3.577,1112 3.662,1113 3.709,1114 3.548,1115 3.496,1116 4.507,1117 3.496,1118 3.267,1119 3.344,1120 3.309,1121 3.078,1122 4.453,1123 3.029,1124 3.233,1125 3.295,1126 3.134,1127 3.009,1128 4.374,1129 3.021,1130 0.108,1131 0.116,1132 0.167,1133 0.095,1134 0.077,1135 4.948,1136 0.104,1137 5.35,1138 0.064,1139 7.68,1140 0.296,1141 4.389,1142 0.066,1143 3.523,1144 4.789,1145 2.95,1146 13.626,1147 3.028,1148 1.997,1149 2.011,1150 2.085,1151 2.098,1152 1.446,1153 2.104,1154 1.936,1155 1.899,1156 2.002,1157 2.064,1158 1.331,1159 2.095,1160 1.829,1161 1.773,1162 1.976,1163 2.006,1164 1.24,1165 2.003,1166 1.726,1167 1.693,1168 1.884,1169 1.912,1170 1.068,1171 1.91,1172 1.666,1173 1.624,1174 1.868,1175 1.835,1176 1.021,1177 1.857,1178 1.64,1179 1.58,1180 1.727,1181 1.788,1182 0.825,1183 1.8,1184 1.209,1185 1.134,1186 1.571,1187 1.519,1188 0.825,1189 1.535,1190 1.173,1191 1.121,1192 1.54,1193 1.466,1194 0.757,1195 1.494,1196 4.533,1198 5.878,1200 7.421,1202 9.048,1204 10.715,1206 7.15,1207 6.41,1212 8.935,1213 6.322,1214 5.735,1216 0.081,1217 7.476,1222 50.264,1223 136.829,1224 296.196,1225 400.874,1226 437.545,1227 452.3,1228 452.3,1229 90.812,1230 8.844,1231 102.93,1232 111.31,1233 30,1234 12.985,1235 4.392,1236 3.585,1237 69.213,1238 249,1239 278,1240 0.133,1241 314.24,1242 546.39,1243 758.505,1244 110020,1245 1.2,1246 29.855,1247 0.711,1248 0.625,1249 30.605,1250 26.25,1251 20.15,1252 0.438,1253 0.355,1254 14.343,1255 18.193,1256 13.738,1257 11.384,1258 21.228,1259 16.329,1260 18.711,1261 0.284,1262 0.213,1263 20.467,1264 14.052,1265 15.981,1266 0.184,1267 0.122,1268 17.772,1269 10.614,1270 12.216,1271 0.114,1272 0.064,1273 13.266,1274 6.831,1275 10.358,1276 0.075,1277 0.036,1278 11.315,1279 4.956,1280 0.216,1281 137.605,1282 0.182,1283 37.898,1284 0.347,1285 224,1286 623.162,1287 300.72,1288 649.639,1289 880.16,1290 604,1291 265,1292 603.65,1293 345.555,1294 655.611,1295 958.46,1296 613,1297 5}
{0 CHEMBL513909,1 1.525,2 14.237,3 3.655,4 13.36,5 148.213,6 6.776,7 0.286,8 4.432,9 4.57,10 3.921,11 3.892,12 5.424,13 3.869,14 5.038,15 5.248,16 4.303,17 4.321,18 5.967,19 4.272,20 5.327,21 5.562,22 4.434,23 4.515,24 6.261,25 4.439,26 5.431,27 5.678,28 4.445,29 4.554,30 6.405,31 4.474,32 5.442,33 5.683,34 4.457,35 4.572,36 6.485,37 4.487,38 5.406,39 5.644,40 4.35,41 4.546,42 6.381,43 4.44,44 5.411,45 5.686,46 4.183,47 4.452,48 6.3,49 4.321,50 5.263,51 5.539,52 4.107,53 4.326,54 6.139,55 4.205,56 0.032,57 1.179,58 18.11,59 6.578,60 11.145,61 9.87,62 0.476,63 1.902,64 35.32,65 11.066,66 36.537,67 17.074,68 0.556,69 2.349,70 47.751,71 14.58,72 54.5,73 22.827,74 0.654,75 2.456,76 53.861,77 15.746,78 79.905,79 24.541,80 1.011,81 2.478,82 54.847,83 15.761,84 111.883,85 24.678,86 0.642,87 2.419,88 52.039,89 15.848,90 80.741,91 24.641,92 0.768,93 2.258,94 53.425,95 14.967,96 86.391,97 24.141,98 0.738,99 1.93,100 46.069,101 13.81,102 76.125,103 21.436,104 41,105 60,106 0.235,107 0.541,108 0.765,109 0.845,110 0.845,111 0.845,112 3.668,113 0.983,114 -4.05,115 -4,116 -3.79,118 36.4,119 1,120 7,123 3,124 2,125 3,136 3,137 1,138 3,139 1,141 1,144 1,149 2,161 7,163 3,164 7,166 3,168 4,169 6,172 4,173 9,175 1,177 4,179 1,182 1,183 11,185 2,187 2,189 4,192 5,193 11,195 2,200 8,202 1,203 11,205 1,206 1,207 3,208 4,210 1,211 10,214 1,216 3,219 3,220 4,222 2,224 2,226 3,228 1,229 5,235 9,238 2746,239 25.825,240 25.825,241 25.825,242 25.825,243 25.825,244 24.229,245 41.796,246 14.896,247 26.489,248 20.56,249 20.56,250 20.56,251 20.56,252 20.56,253 17.857,254 69.22,255 6.879,256 21.543,257 4.742,258 2.765,259 1.313,260 0.792,261 0.792,262 0.792,263 4.37,267 1,268 1181,269 3.674,271 95.957,272 491.975,276 184.801,279 2.488,280 39.385,283 0.75,284 0.67,285 0.83,286 0.9,287 1,288 0.83,289 1,290 0.85,291 82.5,292 541,293 4.556,294 3.94,295 7.095,296 4.309,297 3.364,298 4.074,299 1.989,300 12.265,301 3.179,302 4.337,303 3.579,304 6.265,305 3.962,306 2.987,307 3.964,308 1.058,309 9.475,310 2.92,311 3.977,312 3.207,313 6.218,314 3.685,315 2.725,316 3.31,317 0.86,318 9.008,319 2.606,320 3.85,321 3.103,322 6.021,323 3.621,324 2.668,325 3.169,326 0.835,327 8.455,328 2.543,329 3.738,330 2.837,331 5.936,332 3.525,333 2.565,334 2.805,335 0.8,336 8.238,337 2.462,338 3.571,339 2.803,340 5.392,341 3.425,342 2.453,343 2.7,344 0.543,345 7.057,346 2.377,347 3.437,348 2.464,349 5.302,350 3.107,351 2.167,352 2.588,353 0.4,354 6.625,355 2.026,356 3.096,357 2.306,358 5.09,359 2.976,360 2.038,361 2.138,363 5.761,364 1.904,365 3.081,366 2.176,367 4.893,368 2.92,369 1.97,370 2.13,372 5.676,373 1.857,374 2.887,375 1.938,376 4.347,377 2.467,378 1.527,379 2.022,381 4.065,382 1.429,383 2.714,384 1.808,385 4.146,386 2.279,387 1.272,388 1.692,389 3.349,390 1.27,391 2.586,392 1.647,393 4.044,394 2.175,395 1.206,396 1.593,397 3.124,398 1.164,399 2.177,400 1.243,401 3.827,402 2.095,403 1.128,404 1.169,405 2.618,406 1.087,407 2,408 1.14,409 3.414,410 1.984,411 1,412 1,413 2.275,414 0.983,415 1.992,416 1.077,417 3.31,418 1.651,419 0.66,420 0.786,421 1.372,422 0.647,423 17.8,424 0.468,425 0.955,426 0.025,427 43.25,428 1.138,429 17,430 0.447,431 26.25,432 0.691,433 42.518,434 1.119,435 43.4,436 0.564,437 36.805,438 0.969,439 7.813,440 0.206,441 10.576,442 0.278,443 0.15,445 0.376,449 0.804,450 1.678,451 0.864,452 1.322,453 0.564,454 1.127,455 0.885,456 1.115,457 0.894,458 0.975,459 0.54,460 0.934,461 0.906,462 1.162,463 0.936,464 1.064,465 0.799,466 1.005,467 1.21,468 1.052,469 0.98,470 0.975,471 1.298,472 0.945,473 1.148,474 0.986,475 1.035,476 0.937,477 1.399,478 0.962,479 1.105,480 1.185,481 1.132,482 1.161,483 1.257,484 1.151,485 1.139,486 0.977,487 1.084,488 0.956,489 1.098,490 0.997,491 0.988,492 0.805,493 0.93,494 0.848,495 0.799,496 0.875,497 7.5,498 0.307,499 4.667,500 2.903,501 3.186,502 1.576,503 1.003,504 0.777,505 0.502,506 0.385,507 23285,508 50645,509 2.081,510 50.6,511 7,512 19,514 1,515 2,517 6,518 4,520 1.787,521 1.932,522 3.72,523 0.175,528 117.4,529 1.525,530 3.502,531 4.954,532 5.474,533 5.474,534 5.474,535 3.242,536 4.86,537 5.218,538 3.97,539 2790.61,540 9.189,541 46312.4,546 482.543,547 1.462,548 5.171,549 0.179,550 0.007,551 0.078,552 0.044,553 0.048,554 0.024,555 0.017,556 0.016,557 0.011,558 0.008,559 0.433,560 0.33,561 0.63,562 0.782,563 211.289,564 -0.021,565 -0.336,566 0.075,567 -0.128,568 0.001,569 -0.029,570 0.08,571 0.069,572 0.09,573 0.07,574 0.091,575 0.076,576 0.049,577 -0.064,578 0.047,579 -0.046,580 0.06,581 -0.006,582 -0.082,583 -0.016,584 0.025,585 0.01,586 -0.051,587 0.032,588 0.052,589 0.061,590 -0.02,591 0.043,592 -0.001,593 0.008,594 -0.073,595 -0.125,596 -0.144,597 -0.149,598 -0.099,599 -0.157,600 -0.1,601 0.002,602 -0.084,603 -0.009,604 -0.105,605 -0.036,606 0.041,607 0.15,608 0.066,609 0.117,610 0.027,611 0.099,612 1.764,613 6.135,614 0.711,615 45.526,616 0.998,617 1.14,618 2.823,619 7.97,620 0.631,621 3.761,622 4.111,623 4.431,624 4.718,625 4.984,626 5.106,627 5.242,628 5.366,629 5.481,630 5.568,631 8.367,632 0.594,633 521.74,634 3.761,635 5.323,636 6.196,637 7.093,638 7.985,639 8.888,640 9.788,641 10.694,642 11.599,643 12.508,644 9.1,647 1,650 1,651 2,652 1,654 2,657 4,658 2,662 6,664 12,670 1,674 1,675 1,677 1,679 77,680 14,681 1,682 42,684 81,685 28,686 10,687 3,688 3,689 1,690 5,691 6,694 1,697 9,700 10,702 12,703 16,706 2,709 2,712 2,718 39,719 10,720 2,721 10,726 7,729 0.8,730 3,740 1,744 1,745 4,749 1,756 1,763 1,766 4,770 4,774 38,780 9,781 2,782 1,784 3,785 3,795 3.9,798 2,800 1,801 19.667,802 14.833,803 8.417,804 5.044,805 2.423,806 1.283,807 0.96,808 8.292,809 10.981,810 3.932,811 4.454,812 4.98,813 5.488,814 6.014,815 6.284,816 6.639,817 6.973,818 7.322,819 7.645,820 1,821 66,822 14.194,823 6.108,824 7.64,825 27.632,826 23.323,827 2.14,828 81.333,832 435.531,833 123.509,834 78.966,836 61.29,839 123.509,840 496.821,841 78.966,842 36.501,843 43.088,844 28.429,845 105.041,846 58.249,847 4.227,848 423.76,850 435.531,851 202.475,852 61.29,855 317.82,856 179.001,858 83.995,859 84.909,860 33.571,862 435.531,863 140.255,864 123.509,867 435.531,868 49.532,869 83.35,870 36.022,871 94.861,872 435.531,873 140.255,874 123.509,876 0.584,877 0.359,878 0.198,879 0.11,880 29,881 14,882 0.086,883 7,884 1,885 1.074,886 4.677,887 384.045,888 0.074,889 27,890 191.421,894 27.013,895 11.665,896 5.602,898 140.255,899 7.073,900 9.424,904 3.695,906 36.022,907 699.295,908 50,911 26.043,914 -0.007,916 76.832,917 87.76,918 0.243,919 0.559,920 0.791,921 0.874,922 0.874,923 0.874,924 5.215,925 2.038,926 6.196,927 6.625,928 4.796,929 5.142,930 2.653,931 7.048,932 4.707,933 6.389,934 1.97,935 7.784,936 5.761,937 4.443,938 4.956,939 1.803,940 8.03,941 4.306,942 7.692,943 1.527,944 9.47,945 5.676,946 6.431,947 7.203,948 3.28,949 11.165,950 6.252,951 9.025,952 1.272,953 11.215,954 4.065,955 6.899,956 7.827,957 3.237,958 12.979,959 6.672,960 10.392,961 1.206,962 12.998,963 3.349,964 8.353,965 9.586,966 4.354,967 15.661,968 8.083,969 11.78,970 1.128,971 14.808,972 3.124,973 9.192,974 10.576,975 4.691,976 17.843,977 8.872,978 13.187,979 1,980 16.638,981 2.618,982 10.452,983 12.145,984 5.607,985 20.386,986 10.085,987 3.364,988 0.66,989 18.484,990 2.275,991 11.468,992 13.319,993 6.118,994 22.741,995 11.049,996 2.987,997 12.265,998 20.344,999 1.372,1000 12.661,1001 14.802,1002 6.929,1003 25.245,1004 12.192,1005 2.725,1006 9.475,1007 22.215,1008 4.074,1009 13.764,1010 16.073,1011 7.524,1012 27.68,1013 13.239,1014 2.668,1015 9.008,1016 24.096,1017 3.964,1018 14.941,1019 17.512,1020 8.278,1021 30.176,1022 14.362,1023 2.565,1024 8.455,1025 25.986,1026 3.31,1027 16.087,1028 18.837,1029 8.915,1030 32.648,1031 15.45,1032 2.453,1033 8.238,1034 27.884,1035 3.169,1036 17.265,1037 20.254,1038 9.639,1039 35.146,1040 16.572,1041 2.167,1042 7.057,1043 29.789,1044 2.805,1045 18.435,1046 21.608,1047 10.3,1048 37.636,1049 17.682,1050 21931,1051 32586,1052 27.857,1053 48.586,1054 63.096,1055 64.991,1056 66.159,1057 62.827,1058 62.777,1059 73.874,1060 12.968,1061 185.722,1062 60.058,1063 5.556,1064 5.94,1065 6.69,1066 5.394,1067 5.364,1068 7.074,1069 3.465,1070 20.265,1071 5.179,1072 20.817,1073 1.502,1074 1.547,1075 1.575,1076 1.496,1077 1.495,1078 1.759,1079 0.309,1080 4.422,1081 1.43,1082 4.048,1083 4.097,1084 4.002,1085 3.903,1086 7.43,1087 3.918,1088 3.938,1089 3.976,1090 3.886,1091 3.82,1092 7.426,1093 3.83,1094 3.845,1095 3.904,1096 3.73,1097 3.689,1098 5.01,1099 3.69,1100 3.784,1101 3.839,1102 3.665,1103 3.649,1104 4.81,1105 3.649,1106 3.596,1107 3.656,1108 3.507,1109 3.429,1110 4.401,1111 3.434,1112 3.42,1113 3.486,1114 3.332,1115 3.17,1116 4.365,1117 3.201,1118 3.337,1119 3.423,1120 3.181,1121 3.075,1122 4.311,1123 3.092,1124 3.241,1125 3.314,1126 3.054,1127 2.978,1128 4.132,1129 2.983,1130 0.108,1131 0.094,1132 0.169,1133 0.103,1134 0.08,1135 4.556,1136 0.097,1137 3.94,1138 0.047,1139 7.095,1140 0.292,1141 4.309,1142 0.076,1143 3.364,1144 4.074,1145 1.989,1146 12.265,1147 3.179,1148 1.925,1149 1.899,1150 2.051,1151 2.096,1152 1.4,1153 2.071,1154 1.871,1155 1.827,1156 2.004,1157 2.047,1158 1.313,1159 2.046,1160 1.815,1161 1.755,1162 1.967,1163 1.976,1164 1.211,1165 1.976,1166 1.579,1167 1.52,1168 1.86,1169 1.774,1170 1.112,1171 1.793,1172 1.577,1173 1.507,1174 1.798,1175 1.751,1176 1.094,1177 1.78,1178 1.516,1179 1.451,1180 1.758,1181 1.701,1182 0.876,1183 1.731,1184 1.331,1185 1.264,1186 1.61,1187 1.622,1188 0.825,1189 1.614,1190 1.276,1191 1.19,1192 1.571,1193 1.568,1194 0.745,1195 1.571,1196 4.443,1198 5.784,1199 2.398,1200 7.326,1201 4.443,1202 8.965,1203 6.293,1204 10.659,1206 7.54,1212 9.06,1213 6.437,1214 5.625,1216 0.261,1217 6.183,1222 45.723,1223 117.4,1224 269.671,1225 381.465,1226 421.523,1227 421.523,1228 421.523,1229 80.143,1230 8.557,1231 102.93,1232 102.93,1233 29,1234 13.025,1235 3.907,1236 3.17,1237 59.237,1238 193,1239 224,1240 0.15,1241 278.519,1242 491.61,1243 671.346,1244 69646,1246 26.811,1247 0.706,1248 0.602,1249 26.811,1250 22.866,1251 18.389,1252 0.438,1253 0.328,1254 13.54,1255 17.558,1256 13.164,1257 10.943,1258 18.389,1259 13.766,1260 16.495,1261 0.275,1262 0.178,1263 16.495,1264 10.66,1265 14.634,1266 0.176,1267 0.099,1268 14.634,1269 8.176,1270 12.164,1271 0.11,1272 0.053,1273 12.164,1274 5.921,1275 9.969,1276 0.069,1277 0.028,1278 9.969,1279 4.01,1280 0.238,1281 116.099,1282 0.189,1283 34.488,1284 0.402,1285 204,1286 554.098,1287 226.655,1288 527.84,1289 728.12,1290 496,1291 245,1292 543.776,1293 269.849,1294 547.986,1295 810.21,1296 514,1297 5}
{0 CHEMBL521851,1 1.78,2 12.029,3 2.892,4 8.361,5 136.875,6 8.286,7 0.5,8 4.265,9 4.373,10 4.076,11 3.821,12 5.256,13 3.78,14 4.867,15 5.038,16 4.41,17 4.247,18 6.005,19 4.193,20 5.085,21 5.279,22 4.431,23 4.39,24 6.061,25 4.298,26 5.148,27 5.363,28 4.399,29 4.418,30 6.122,31 4.302,32 5.146,33 5.383,34 4.367,35 4.396,36 6.121,37 4.26,38 4.99,39 5.187,40 4.34,41 4.365,42 5.882,43 4.246,44 4.978,45 5.161,46 4.376,47 4.342,48 5.958,49 4.235,50 5.064,51 5.284,52 4.373,53 4.333,54 5.977,55 4.213,56 0.138,57 1.053,58 14.833,59 6.041,60 15.843,61 7.068,62 0.636,63 1.735,64 30.612,65 10.283,66 59.844,67 12.197,68 0.71,69 2.06,70 43.941,71 13.352,72 54.192,73 16.27,74 0.565,75 2.113,76 43.593,77 15.122,78 65.169,79 19.016,80 0.887,81 2.089,82 50.078,83 15.742,84 77.777,85 19.215,86 0.447,87 1.937,88 41.98,89 13.99,90 27.589,91 16.735,92 0.442,93 1.876,94 33.878,95 12.865,96 37.968,97 15.547,98 0.531,99 1.975,100 41.626,101 13.47,102 38.358,103 17.095,104 11,105 59,106 0.282,107 0.603,108 0.751,109 0.82,110 0.82,111 0.82,112 3.589,113 1.076,114 -2.75,115 -2.76,116 -2.68,118 37.1,123 1,124 9,136 4,137 2,139 1,140 1,141 1,143 1,146 3,159 1,161 4,163 5,164 4,168 2,169 5,172 2,173 11,177 2,179 2,182 1,183 7,187 1,189 1,192 6,193 4,195 2,200 3,202 2,203 4,208 3,210 2,211 5,214 1,216 1,217 2,219 1,220 9,224 1,226 1,228 3,229 2,238 2196,239 23.797,240 23.797,241 23.797,242 23.797,243 23.797,244 21.272,245 24.599,246 13.813,247 24.654,248 19.826,249 19.826,250 19.826,251 19.826,252 19.826,253 15.807,254 35.664,255 6.611,256 21.261,257 4.175,258 2.151,259 1.222,260 0.786,261 0.786,262 0.786,263 4.307,267 1,268 945,269 3.536,271 149.966,272 393.118,275 276.737,279 1.86,280 36.69,283 0.75,284 0.5,285 0.83,286 0.7,287 0.5,288 0.67,289 1,290 0.71,291 76.5,292 421,293 4.743,294 4.375,295 7.111,296 4.248,297 3.314,298 4.618,299 0.916,300 11.657,301 3.106,302 4.67,303 3.345,304 6.793,305 4.196,306 3.252,307 4.51,308 0.86,309 11.247,310 3.077,311 4.507,312 3.098,313 6.634,314 4.021,315 3.06,316 4.443,317 0.8,318 10.64,319 2.899,320 3.901,321 3.011,322 5.868,323 3.587,324 2.67,325 3.382,326 0.4,327 8.287,328 2.444,329 3.774,330 2.748,331 5.747,332 3.41,333 2.479,334 3.119,335 0.172,336 7.774,337 2.313,338 3.551,339 2.465,340 5.474,341 3.318,342 2.379,343 2.698,345 7.244,346 2.223,347 3.225,348 2.312,349 4.957,350 2.884,351 1.954,352 2.386,354 5.727,355 1.801,356 3.048,357 2.213,358 4.707,359 2.651,360 1.743,361 2.321,363 4.829,364 1.572,365 3.018,366 1.945,367 4.616,368 2.537,369 1.561,370 2.161,372 4.645,373 1.529,374 2.947,375 1.551,376 4.538,377 2.472,378 1.546,379 2.082,381 4.412,382 1.419,383 2.69,384 1.547,385 4.056,386 2.374,387 1.442,388 1.679,389 3.568,390 1.331,391 2.5,392 1.477,393 3.766,394 2.101,395 1.241,396 1.5,397 2.961,398 1.055,399 2.399,400 1.256,401 3.427,402 1.97,403 1,404 1.386,405 2.275,406 0.968,407 2.032,408 1.146,409 3.414,410 1.967,411 1,412 1,413 2.232,414 0.965,415 2,416 1,417 3.392,418 1.952,419 1,420 1,421 2.136,422 0.946,423 16.967,424 0.485,425 0.976,426 0.028,427 44,428 1.257,429 19.5,430 0.557,431 24.5,432 0.7,433 34.932,434 0.998,435 38.233,436 0.617,437 33.767,438 0.965,439 8.183,440 0.234,441 8.77,442 0.251,443 0.069,444 0.049,445 0.306,449 0.656,450 1.477,451 0.755,452 1.185,453 0.629,454 0.973,455 1.053,456 1.012,457 0.947,458 0.842,459 0.575,460 0.802,461 1.163,462 1.101,463 1.174,464 1.089,465 1.061,466 1.003,467 0.92,468 1.152,469 0.95,470 1.029,471 1.121,472 1.043,473 0.851,474 0.783,475 1.102,476 0.917,477 1,478 0.877,479 0.692,480 1.119,481 1.277,482 1.286,483 0.436,484 1.098,485 0.851,486 1.154,487 0.862,488 1.011,489 0.806,490 1.151,491 0.802,492 1.125,493 0.976,494 1.099,495 0.545,496 1.068,497 7.5,498 0.196,499 4,500 2.444,501 1.501,502 1.421,503 0.837,504 0.587,505 0.369,506 0.297,507 18778,508 53154,509 2.184,510 43.5,512 25,514 1,515 1,520 1.771,521 2.069,522 3.527,523 -0.26,528 110.33,529 1.78,530 3.803,531 4.732,532 5.168,533 5.168,534 5.168,535 2.952,536 4.651,537 5.097,538 3.765,539 2240.01,540 8.972,541 34343.3,546 369.16,547 1.437,548 5.068,549 0.188,550 0.006,551 0.068,552 0.042,553 0.027,554 0.026,555 0.015,556 0.011,557 0.007,558 0.007,559 0.398,560 0.33,561 0.63,562 0.597,563 187.789,564 0.082,565 -0.254,566 0.182,567 -0.099,568 -0.092,569 -0.008,570 0.004,571 0.12,572 0.012,573 0.141,574 0.23,575 0.119,576 -0.165,577 -0.034,578 -0.133,579 -0.045,580 -0.105,581 -0.034,582 -0.075,583 -0.163,584 -0.018,585 -0.049,586 -0.092,587 -0.045,588 0.038,589 0.222,590 -0.015,591 0.135,592 -0.064,593 0.129,594 -0.035,595 -0.019,596 -0.161,597 -0.142,598 -0.028,599 -0.072,600 -0.046,601 -0.102,602 -0.032,603 -0.071,604 -0.091,605 -0.182,606 -0.029,607 -0.095,608 0.012,609 -0.092,610 0.01,611 -0.073,612 4.051,613 4.845,614 0.857,615 39.378,616 1.011,617 1.131,618 1.521,619 2.313,620 0.682,621 3.714,622 4.094,623 4.394,624 4.71,625 4.963,626 5.142,627 5.384,628 5.591,629 5.737,630 5.943,631 7.405,632 0.644,633 513.71,634 3.714,635 5.293,636 6.168,637 7.076,638 7.967,639 8.879,640 9.779,641 10.694,642 11.599,643 12.515,644 11.3,647 2,650 1,652 1,654 3,656 4,657 5,658 3,659 1,661 1,662 4,664 20,675 1,679 62,680 22,681 1,682 40,684 67,685 23,686 13,687 3,688 3,690 6,691 8,702 13,703 10,706 2,708 1,709 2,718 27,719 9,720 1,721 12,722 2,726 7,729 0.667,730 3,737 1,740 1,744 2,745 4,748 2,763 1,765 1,766 4,768 2,770 1,774 35,778 1,780 9,782 1,785 3,790 1,795 4.8,798 2,799 1,801 16.917,802 11.45,803 7.333,804 3.711,805 3.989,806 1.457,807 1.04,808 6.23,809 12.708,810 3.97,811 4.64,812 5.227,813 5.887,814 6.436,815 6.916,816 7.469,817 7.993,818 8.352,819 8.832,820 0.875,821 58,822 13.148,823 5.91,824 7.688,825 25.347,826 21.963,827 2.188,828 76.583,832 306.049,833 131.959,834 74.664,836 55.313,838 37.085,839 94.874,840 361.361,841 74.664,842 7.19,843 23.925,844 43.712,845 117.318,846 43.708,847 6.576,848 325.555,850 306.049,851 169.539,852 55.313,853 37.085,855 308.377,856 44.313,857 11,858 56.422,859 60.554,860 56.042,861 31.278,862 306.049,863 129.977,864 131.959,866 5.807,867 306.049,868 72.009,869 61.91,870 16.663,871 105.547,872 306.049,873 129.977,874 131.959,876 0.595,877 0.344,878 0.188,879 0.101,880 32,881 13,882 0.075,883 5,884 2,885 1.133,886 4.541,887 358.098,888 0.133,889 30,890 169.525,891 1,893 1,894 23.255,895 9.376,896 4.681,897 3.976,898 113.314,899 10.012,900 14.245,901 3.03,903 1.727,904 3.802,906 16.663,907 567.985,908 52,910 -3.135,911 23.689,916 62.683,917 70.108,918 0.299,919 0.639,920 0.795,921 0.868,922 0.868,923 0.868,924 5.247,925 1.743,926 6.188,927 5.727,928 4.779,929 5.328,930 1.661,931 7.06,932 4.645,933 6.484,934 1.561,935 7.785,936 4.829,937 4.511,938 5.421,939 0.57,940 8.184,941 4.306,942 7.838,943 1.546,944 9.491,945 4.645,946 6.466,947 7.679,948 1.271,949 11.253,950 6.211,951 9.235,952 1.442,953 11.262,954 4.412,955 7.022,956 8.616,957 0.581,958 13.186,959 6.699,960 10.668,961 1.241,962 13.076,963 3.568,964 8.474,965 10.396,966 1.026,967 15.815,968 8.101,969 12.128,970 1,971 14.919,972 2.961,973 9.382,974 11.673,975 0.515,976 18.05,977 8.945,978 13.606,979 1,980 16.782,981 2.275,982 10.651,983 13.286,984 0.841,985 20.542,986 10.162,987 3.314,988 1,989 18.661,990 2.232,991 11.711,992 14.701,993 0.441,994 22.894,995 11.16,996 3.252,997 11.657,998 20.551,999 2.136,1000 12.914,1001 16.252,1002 0.689,1003 25.342,1004 12.308,1005 3.06,1006 11.247,1007 22.451,1008 4.618,1009 14.039,1010 17.723,1011 0.373,1012 27.74,1013 13.372,1014 2.67,1015 10.64,1016 24.358,1017 4.51,1018 15.221,1019 19.25,1020 0.564,1021 30.175,1022 14.497,1023 2.479,1024 8.287,1025 26.27,1026 4.443,1027 16.375,1028 20.745,1029 0.314,1030 32.593,1031 15.591,1032 2.379,1033 7.774,1034 28.188,1035 3.382,1036 17.552,1037 22.264,1038 0.461,1039 35.025,1040 16.709,1041 1.954,1042 7.244,1043 30.109,1044 3.119,1045 18.719,1046 23.769,1047 0.264,1048 37.452,1049 17.816,1050 17221,1051 29135,1052 27.334,1053 42.313,1054 61.554,1055 62.698,1056 61.602,1057 61.525,1058 61.455,1059 79.593,1060 6.298,1061 185.247,1062 57.253,1063 5.743,1064 6.375,1065 6.913,1066 5.389,1067 5.314,1068 7.618,1069 1.776,1070 18.927,1071 5.106,1072 14.402,1073 1.539,1074 1.567,1075 1.54,1076 1.538,1077 1.536,1078 1.99,1079 0.157,1080 4.631,1081 1.431,1082 4.155,1083 4.188,1084 4.722,1085 4.094,1086 7.716,1087 4.073,1088 4.029,1089 4.052,1090 4.339,1091 3.96,1092 6.999,1093 3.935,1094 3.988,1095 3.989,1096 4.056,1097 3.949,1098 5.13,1099 3.828,1100 3.738,1101 3.786,1102 3.665,1103 3.538,1104 4.975,1105 3.545,1106 3.643,1107 3.676,1108 3.591,1109 3.47,1110 4.612,1111 3.45,1112 3.393,1113 3.454,1114 3.417,1115 3.217,1116 4.427,1117 3.229,1118 3.264,1119 3.323,1120 3.2,1121 3.119,1122 4.336,1123 3.118,1124 3.111,1125 3.206,1126 2.949,1127 2.941,1128 4.194,1129 2.91,1130 0.119,1131 0.109,1132 0.178,1133 0.106,1134 0.083,1135 4.743,1136 0.115,1137 4.375,1138 0.023,1139 7.111,1140 0.291,1141 4.248,1142 0.078,1143 3.314,1144 4.618,1145 0.916,1146 11.657,1147 3.106,1148 1.975,1149 1.952,1150 2.038,1151 2.077,1152 1.334,1153 2.069,1154 1.854,1155 1.844,1156 1.971,1157 2.04,1158 1.224,1159 2.064,1160 1.791,1161 1.757,1162 1.928,1163 1.964,1164 1.168,1165 1.959,1166 1.63,1167 1.612,1168 1.733,1169 1.8,1170 0.989,1171 1.82,1172 1.576,1173 1.54,1174 1.603,1175 1.746,1176 0.869,1177 1.765,1178 1.402,1179 1.38,1180 1.524,1181 1.619,1182 0.832,1183 1.582,1184 1.307,1185 1.232,1186 1.513,1187 1.508,1188 0.825,1189 1.554,1190 1.153,1191 1.064,1192 1.513,1193 1.376,1194 0.825,1195 1.429,1196 4.394,1198 5.759,1199 3.045,1200 7.311,1201 5.352,1202 8.948,1203 7.424,1204 10.631,1206 1.28,1212 6.219,1214 5.586,1217 6.151,1222 39.936,1223 110.33,1224 235.802,1225 293.386,1226 320.405,1227 320.405,1228 320.405,1229 57.378,1230 8.719,1231 107.55,1232 144.17,1233 34,1234 13.028,1235 4.524,1236 3.7,1237 46.915,1238 156,1239 159,1240 0.147,1241 245.425,1242 407.97,1243 590.598,1244 77748,1246 23.993,1247 0.686,1248 0.603,1249 24.597,1250 21.108,1251 16.954,1252 0.424,1253 0.359,1254 11.704,1255 14.934,1256 11.235,1257 9.148,1258 18.256,1259 14.352,1260 16.324,1261 0.277,1262 0.205,1263 18.353,1264 12.092,1265 13.557,1266 0.169,1267 0.113,1268 15.101,1269 9.029,1270 11.866,1271 0.108,1272 0.061,1273 13.32,1274 6.737,1275 9.633,1276 0.068,1277 0.033,1278 10.894,1279 4.686,1280 0.23,1281 120.258,1282 0.191,1283 31.943,1284 0.409,1285 198,1286 581.131,1287 278.253,1288 594.77,1289 818.88,1290 556,1291 238,1292 570.047,1293 325.557,1294 621.57,1295 914.97,1296 583,1297 5}
{0 CHEMBL522892,1 1.644,2 11.483,3 1.782,4 3.174,5 110.583,6 7.85,7 0.485,8 4.047,9 4.179,10 3.661,11 3.564,12 5.18,13 3.569,14 4.589,15 4.768,16 4.07,17 3.99,18 5.696,19 3.982,20 4.85,21 5.047,22 4.167,23 4.158,24 5.955,25 4.124,26 4.961,27 5.19,28 4.158,29 4.149,30 6.204,31 4.082,32 4.929,33 5.188,34 3.955,35 4.015,36 6.03,37 3.953,38 4.683,39 4.915,40 3.899,41 3.876,42 5.946,43 3.823,44 4.553,45 4.765,46 3.733,47 3.765,48 5.709,49 3.722,50 4.466,51 4.715,52 3.529,53 3.669,54 5.461,55 3.571,56 0.083,57 0.886,58 9.549,59 4.013,60 10.718,61 5.212,62 0.281,63 1.433,64 18.687,65 6.802,66 20.524,67 9.196,68 0.356,69 1.774,70 25.624,71 9.239,72 34.54,73 12.309,74 0.681,75 1.867,76 31.032,77 11.103,78 85.154,79 15.394,80 0.638,81 1.665,82 33.013,83 9.809,84 82.244,85 13.475,86 0.542,87 1.369,88 23.953,89 7.844,90 79.087,91 11.245,92 0.377,93 1.246,94 19.966,95 6.256,96 44.302,97 8.334,98 0.342,99 1.077,100 19.425,101 6.969,102 30.263,103 9.759,104 17,105 49,106 0.274,107 0.65,108 0.766,109 0.845,110 0.851,111 0.851,112 3.409,113 0.868,114 -3.23,115 -3.22,116 -3.09,118 42,123 1,124 4,132 1,133 1,136 6,137 1,138 3,140 1,146 1,149 1,152 1,154 1,155 1,156 1,161 3,164 5,166 2,168 7,169 5,171 2,172 1,173 2,177 3,179 2,182 2,183 4,184 2,185 4,186 3,187 4,188 2,189 4,190 2,193 3,195 1,197 1,200 2,201 1,203 7,207 6,208 2,209 2,210 1,211 2,216 3,217 1,218 1,219 1,220 1,221 1,222 3,226 4,229 1,235 4,238 1256,239 19.602,240 19.602,241 19.602,242 19.602,243 19.602,244 17.385,245 24.416,246 11.161,247 20.029,248 16.271,249 16.271,250 16.271,251 16.271,252 16.271,253 12.814,254 38.408,255 5.297,256 16.992,257 4,258 1.741,259 1.045,260 0.575,261 0.535,262 0.535,263 4.117,266 1,267 1,268 743,269 2.449,271 55.207,272 299.019,275 103.645,276 121.954,279 1.812,280 34.854,283 1,284 1,285 1,286 0.8,287 0.5,288 1,289 1,290 0.9,291 63.5,292 333,293 4.69,294 3.682,295 6.995,296 4.293,297 3.315,298 4.499,299 1.058,300 11.831,301 3.24,302 4.463,303 3.195,304 6.446,305 3.999,306 3.039,307 4.229,308 0.8,309 10.011,310 2.917,311 4.083,312 3.178,313 6.242,314 3.746,315 2.798,316 3.582,317 0.8,318 9.293,319 2.663,320 3.877,321 2.928,322 5.995,323 3.545,324 2.576,325 3.213,327 8.506,328 2.476,329 3.438,330 2.619,331 5.245,332 3.198,333 2.272,334 2.657,336 6.296,337 2.104,338 3.362,339 2.456,340 5.046,341 3.062,342 2.103,343 2.443,345 6.089,346 2.009,347 3.138,348 2.337,349 4.921,350 2.728,351 1.774,352 2.342,354 5.143,355 1.682,356 3.102,357 1.867,358 4.76,359 2.649,360 1.676,361 2.278,363 4.751,364 1.612,365 3.005,366 1.568,367 4.467,368 2.487,369 1.526,370 2.207,372 4.417,373 1.464,374 2.699,375 1.502,376 4.256,377 2.341,378 1.38,379 1.738,381 3.83,382 1.321,383 2.593,384 1.272,385 3.808,386 2.151,387 1.179,388 1.604,389 2.795,390 1.14,391 2,392 1.146,393 3.414,394 1.967,395 1,396 1,397 2.275,398 0.965,399 1.897,400 0.818,401 3.213,402 1.38,403 0.433,404 0.624,405 1.12,406 0.409,407 1.465,408 0.457,409 3.162,410 1.051,411 0.076,412 0.094,413 0.213,414 0.073,415 1.178,416 0.275,417 2.854,418 0.878,419 -0.092,420 -0.11,421 -0.243,422 -0.087,423 13.519,424 0.466,425 0.836,426 0.029,427 38.25,428 1.319,429 18,430 0.621,431 20.25,432 0.698,433 23.671,434 0.816,435 30.881,436 0.618,437 30.221,438 1.042,439 7.694,440 0.265,441 6.314,442 0.218,443 0.112,445 0.429,448 1,449 0.761,450 1.227,451 0.733,452 1.004,453 0.603,454 0.876,455 0.78,456 1.051,457 0.767,458 0.88,459 0.511,460 0.817,461 0.982,462 1.14,463 0.96,464 1.062,465 0.839,466 1.01,467 0.611,468 0.966,469 0.877,470 1.122,471 0.682,472 1.081,473 1.312,474 0.92,475 1.016,476 0.822,477 1.372,478 0.845,479 0.677,480 0.932,481 0.807,482 0.966,483 0.623,484 0.921,485 1.293,486 1.065,487 1.203,488 1.03,489 1.22,490 1.073,491 0.62,492 0.818,493 0.918,494 0.979,495 0.604,496 1.009,497 6,498 0.157,499 3.778,500 2.854,501 2.049,502 1.487,503 0.535,504 0.575,505 0.277,506 0.221,507 11120,508 28665,509 2.15,510 42,512 17,515 4,520 1.719,521 2,522 3.45,523 1.663,524 1,525 1,528 82.206,529 1.644,530 3.902,531 4.599,532 5.069,533 5.109,534 5.109,535 2.935,536 4.72,537 4.828,538 3.607,539 1464.55,540 8.406,541 19174.4,543 1,545 1,546 282.193,547 1.44,548 4.786,549 0.182,550 0.008,551 0.077,552 0.055,553 0.043,554 0.037,555 0.014,556 0.018,557 0.011,558 0.009,559 0.453,560 0.33,561 0.88,562 0.562,563 146.101,564 -0.096,565 -0.139,566 0.038,567 0.001,568 -0.069,569 0.043,570 -0.023,571 -0.02,572 0.087,573 0.091,574 0.054,575 0.113,576 -0.106,577 -0.115,578 -0.058,579 -0.079,580 -0.032,581 -0.059,582 0.307,583 0.001,584 0.088,585 -0.136,586 0.247,587 -0.096,588 -0.166,589 0.035,590 0.03,591 0.131,592 -0.15,593 0.13,594 0.239,595 -0.01,596 0.168,597 0.011,598 0.297,599 0.064,600 -0.238,601 -0.055,602 -0.253,603 -0.098,604 -0.183,605 -0.158,606 0.117,607 0.063,608 0.046,609 0.016,610 0.046,611 0.01,612 2.147,613 6.324,614 0.862,615 26.894,616 1.01,617 1.137,618 1.995,619 3.981,620 0.67,621 3.526,622 3.912,623 4.248,624 4.575,625 4.828,626 4.997,627 5.142,628 5.333,629 5.489,630 5.62,631 6.538,632 0.649,633 392.48,634 3.526,635 5.106,636 5.994,637 6.907,638 7.808,639 8.726,640 9.633,641 10.554,642 11.465,643 12.388,644 12,645 1,647 1,650 1,651 1,652 1,654 1,656 2,657 6,658 1,659 1,662 5,664 16,675 1,678 1,679 50,680 18,681 2,682 33,684 54,685 21,686 13,687 6,688 6,689 3,690 5,691 7,702 16,703 5,706 2,709 1,712 3,715 1,716 1,718 21,719 7,720 4,721 8,724 1,726 6,729 0.6,730 1,744 1,745 4,748 1,749 1,755 1,758 1,759 1,760 1,763 1,766 3,770 1,772 1,774 29,775 1,780 4,781 1,785 2,794 1,795 2,798 1,801 14.5,802 9.243,803 6.139,804 2.932,805 3.689,806 1.442,807 1.063,808 4.391,809 12.036,810 3.784,811 4.44,812 5.082,813 5.729,814 6.287,815 6.742,816 7.2,817 7.687,818 8.056,819 8.444,820 0.875,821 52,822 10.802,823 4.855,824 7.833,825 20.45,826 17.485,827 2.333,828 67.667,832 200.109,833 108.76,834 90.728,836 25.145,837 14.96,839 108.76,840 225.254,841 105.688,842 8.396,843 59.331,844 56.857,845 51.72,846 46.184,847 17.104,848 200.109,850 200.109,851 199.488,852 40.105,855 215.069,856 25.145,858 83.713,859 96.233,860 19.542,862 215.069,863 115.873,864 108.76,867 200.109,868 43.506,869 71.502,870 34.796,871 89.788,872 200.109,873 130.833,874 108.76,876 0.599,877 0.361,878 0.201,879 0.108,880 27,881 12,882 0.037,883 2,884 2,885 1.16,886 4.005,887 275.871,888 0.16,889 25,890 136.881,894 18.311,895 6.954,896 3.117,897 1.536,898 114.047,899 10.484,900 4.596,901 3.155,904 1.505,906 67.693,907 439.701,908 43,911 12.657,914 -0.168,916 50.52,917 56.861,918 0.291,919 0.691,920 0.815,921 0.898,922 0.905,923 0.905,924 5.063,925 1.676,926 6.009,927 5.143,928 4.595,929 5.127,930 1.641,931 6.882,932 4.513,933 6.295,934 1.526,935 7.607,936 4.751,937 4.29,938 5.056,939 0.57,940 7.883,941 4.163,942 7.631,943 1.38,944 9.304,945 4.417,946 6.252,947 7.387,948 1.488,949 11.026,950 6.098,951 9.002,952 1.179,953 11.057,954 3.83,955 6.746,956 8.139,957 0.479,958 12.854,959 6.557,960 10.406,961 1,962 12.847,963 2.795,964 8.203,965 9.969,966 1.47,967 15.525,968 7.989,969 11.834,970 0.433,971 14.664,972 2.275,973 9.062,974 11.106,975 0.346,976 17.7,977 8.82,978 13.28,979 0.076,980 16.5,981 1.12,982 10.328,983 12.733,984 1.501,985 20.213,986 10.062,987 3.315,988 -0.092,989 18.351,990 0.213,991 11.355,992 14.053,993 0.237,994 22.539,995 11.065,996 3.039,997 11.831,998 20.214,999 -0.243,1000 12.551,1001 15.595,1002 1.556,1003 25.002,1004 12.238,1005 2.798,1006 10.011,1007 22.088,1008 4.499,1009 13.654,1010 17.001,1011 0.158,1012 27.396,1013 13.32,1014 2.576,1015 9.293,1016 23.969,1017 4.229,1018 14.827,1019 18.508,1020 1.626,1021 29.847,1022 14.472,1023 2.272,1024 8.506,1025 25.857,1026 3.582,1027 15.967,1028 19.955,1029 0.104,1030 32.273,1031 15.591,1032 2.103,1033 6.296,1034 27.751,1035 3.213,1036 17.137,1037 21.448,1038 1.706,1039 34.725,1040 16.739,1041 1.774,1042 6.089,1043 29.651,1044 2.657,1045 18.295,1046 22.915,1047 0.068,1048 37.169,1049 17.877,1050 10284,1051 16738,1052 22.194,1053 33.517,1054 51.138,1055 51.771,1056 52.791,1057 50.383,1058 50.292,1059 65.019,1060 5.317,1061 153.142,1062 48.149,1063 5.69,1064 5.682,1065 6.531,1066 5.36,1067 5.315,1068 7.499,1069 2.117,1070 19.431,1071 5.24,1072 13.884,1073 1.55,1074 1.569,1075 1.6,1076 1.527,1077 1.524,1078 1.97,1079 0.161,1080 4.641,1081 1.459,1082 4.142,1083 4.182,1084 4.114,1085 4.023,1086 8.201,1087 4.041,1088 3.966,1089 3.995,1090 3.933,1091 3.88,1092 7.429,1093 3.888,1094 3.807,1095 3.884,1096 3.701,1097 3.604,1098 5.118,1099 3.618,1100 3.546,1101 3.581,1102 3.49,1103 3.428,1104 4.989,1105 3.437,1106 3.311,1107 3.385,1108 3.229,1109 3.088,1110 4.603,1111 3.113,1112 3.132,1113 3.213,1114 3.042,1115 2.941,1116 4.447,1117 2.91,1118 3.111,1119 3.206,1120 2.899,1121 2.878,1122 4.228,1123 2.9,1124 3.081,1125 3.179,1126 2.866,1127 2.855,1128 3.915,1129 2.859,1130 0.142,1131 0.112,1132 0.212,1133 0.13,1134 0.1,1135 4.69,1136 0.136,1137 3.682,1138 0.032,1139 6.995,1140 0.359,1141 4.293,1142 0.098,1143 3.315,1144 4.499,1145 1.058,1146 11.831,1147 3.24,1148 1.959,1149 1.938,1150 2.047,1151 2.078,1152 1.307,1153 2.072,1154 1.938,1155 1.905,1156 2.02,1157 2.066,1158 1.151,1159 2.053,1160 1.716,1161 1.645,1162 1.909,1163 1.915,1164 1.081,1165 1.918,1166 1.568,1167 1.536,1168 1.657,1169 1.735,1170 0.825,1171 1.715,1172 1.206,1173 1.125,1174 1.539,1175 1.489,1176 0.724,1177 1.5,1178 1.153,1179 1.064,1180 1.513,1181 1.418,1182 0.641,1183 1.429,1184 1.131,1185 1.048,1186 1.321,1187 1.376,1188 0.343,1189 1.402,1190 0.997,1191 0.934,1192 1.209,1193 1.35,1194 0.235,1195 1.315,1196 4.205,1198 5.572,1199 2.398,1200 7.14,1201 4.727,1202 8.801,1203 6.843,1204 10.511,1206 2.12,1208 14.324,1210 6.201,1212 3.933,1213 2.702,1217 4.621,1222 32.441,1223 82.206,1224 195.12,1225 229.928,1226 253.438,1227 255.438,1228 255.438,1229 52.812,1230 8.346,1231 94.04,1232 94.04,1233 29,1234 12.897,1235 4.248,1236 3.459,1237 39.68,1238 114,1239 129,1240 0.172,1241 194.856,1242 334.46,1243 467.209,1244 51388,1245 2,1246 20.121,1247 0.694,1248 0.552,1249 19.25,1250 15.998,1251 14.008,1252 0.424,1253 0.289,1254 9.385,1255 13.4,1256 9.199,1257 7.556,1258 13.597,1259 9.547,1260 13.24,1261 0.27,1262 0.153,1263 12.703,1264 7.482,1265 11.645,1266 0.169,1267 0.081,1268 11.245,1269 5.599,1270 10.413,1271 0.108,1272 0.041,1273 9.889,1274 3.943,1275 8.199,1276 0.066,1277 0.022,1278 8.059,1279 2.758,1280 0.269,1281 88.277,1282 0.212,1283 27.297,1284 0.478,1285 164,1286 498.76,1287 181.452,1288 462.218,1289 636.03,1290 432,1291 200,1292 477.716,1293 218.558,1294 479.455,1295 712.37,1296 452,1297 5}
{0 CHEMBL525191,1 1.571,2 9.36,3 2.407,4 5.796,5 95.753,6 7.777,7 0.607,8 3.887,9 3.997,10 3.491,11 3.444,12 5.086,13 3.433,14 4.376,15 4.534,16 3.818,17 3.851,18 5.433,19 3.817,20 4.601,21 4.805,22 3.851,23 3.954,24 5.622,25 3.889,26 4.61,27 4.801,28 3.855,29 3.935,30 5.719,31 3.874,32 4.636,33 4.853,34 3.777,35 3.9,36 5.678,37 3.828,38 4.539,39 4.74,40 3.71,41 3.879,42 5.524,43 3.791,44 4.612,45 4.842,46 3.659,47 3.849,48 5.599,49 3.744,50 4.589,51 4.841,52 3.498,53 3.676,54 5.628,55 3.571,56 0.128,57 0.648,58 8.273,59 3.802,60 17.434,61 4.705,62 0.141,63 1.043,64 14.684,65 6.079,66 19.042,67 7.92,68 0.259,69 1.235,70 20.378,71 7.795,72 29.015,73 10.613,74 0.239,75 1.236,76 20.176,77 7.747,78 35.055,79 10.37,80 0.304,81 1.234,82 22.102,83 7.93,84 38.06,85 10.684,86 0.178,87 1.135,88 18.979,89 7.899,90 23.238,91 10.631,92 0.158,93 1.179,94 21.549,95 8.453,96 27.666,97 11.768,98 0.338,99 1.09,100 22.914,101 7.773,102 45.313,103 10.679,104 10,105 39,106 0.271,107 0.641,108 0.81,109 0.864,110 0.872,111 0.872,112 3.268,113 0.882,114 -3.29,115 -3.28,116 -3.14,118 44.2,120 2,124 2,136 5,137 5,139 2,140 1,145 1,148 1,157 1,159 1,161 11,164 7,169 14,173 9,175 1,177 2,179 12,183 8,185 1,187 3,189 9,192 1,193 6,197 3,200 7,202 1,203 6,207 3,208 6,211 4,216 5,217 5,219 2,220 3,224 2,226 2,229 4,231 3,233 3,238 939,239 17.533,240 17.533,241 17.533,242 17.533,243 17.533,244 15.205,245 10.747,246 10.464,247 17.81,248 13.767,249 13.767,250 13.767,251 13.767,252 13.767,253 10.404,254 8.152,255 4.819,256 14.159,257 3.855,258 1.712,259 0.735,260 0.419,261 0.372,262 0.372,263 3.968,265 1,266 1,267 1,268 510,269 2.646,271 119.434,272 132.364,275 94.583,279 1.414,280 19.209,282 1,283 1,284 1,285 1,286 0.8,287 0.5,288 1,289 1,290 0.9,291 54,292 234,293 4.565,294 3.778,295 6.739,296 4.192,297 3.205,298 4.287,299 1.869,300 11.05,301 3.165,302 4.378,303 3.217,304 6.521,305 4.019,306 3.032,307 3.985,309 10.25,310 2.992,311 3.852,312 3.053,313 5.762,314 3.454,315 2.464,316 3.367,318 7.804,319 2.441,320 3.676,321 2.481,322 5.311,323 3.275,324 2.32,325 3.068,327 6.828,328 2.21,329 3.301,330 2.431,331 5.079,332 2.871,333 1.897,334 2.516,336 5.756,337 1.845,338 3.087,339 2.061,340 4.533,341 2.633,342 1.675,343 2.302,345 4.321,346 1.604,347 2.833,348 1.757,349 4.195,350 2.437,351 1.451,352 1.951,354 3.721,355 1.429,356 2.623,357 1.544,358 3.925,359 2.178,360 1.223,361 1.66,363 3.009,364 1.164,365 2.5,366 1.473,367 3.463,368 1.984,369 1,370 1.5,372 2.219,373 0.983,374 2.272,375 1.126,376 3.247,377 1.879,378 0.938,379 1.163,381 2.136,382 0.874,383 2.089,384 1,385 3.242,386 1.746,387 0.789,388 1.052,389 1.67,390 0.752,391 1.944,392 0.801,393 3.122,394 1.722,395 0.74,396 0.858,397 1.602,398 0.727,399 1.422,400 0.701,401 2.731,402 1.243,403 0.246,404 0.274,405 0.393,406 0.245,407 0.82,408 -0.045,409 2.558,410 0.474,411 -0.419,412 -0.458,413 -0.698,414 -0.37,415 0.744,416 -0.169,417 2.323,418 0.453,419 -0.53,420 -0.68,421 -1.344,422 -0.52,423 11.767,424 0.471,425 0.462,426 0.018,427 33.5,428 1.34,429 17.5,430 0.7,431 16,432 0.64,433 18.479,434 0.739,435 26.033,436 0.605,437 23.883,438 0.955,439 6.764,440 0.271,441 5.532,442 0.221,443 0.057,445 0.331,449 0.777,450 1.047,451 0.762,452 0.91,453 0.854,454 0.857,455 0.846,456 1.093,457 0.878,458 0.927,459 0.698,460 0.903,461 0.765,462 0.989,463 0.925,464 0.934,465 0.707,466 0.944,467 0.886,468 1.156,469 1.012,470 1.108,471 0.809,472 1.081,473 1.035,474 0.948,475 1.03,476 0.951,477 0.931,478 0.977,479 0.681,480 1.081,481 0.994,482 1.145,483 0.685,484 1.13,485 0.645,486 1.179,487 0.967,488 1.215,489 0.583,490 1.156,491 1.092,492 0.916,493 1.061,494 1.031,495 1.112,496 1.04,497 4,498 0.061,499 2.667,500 1.764,501 1.429,502 0.771,503 0.42,504 0.323,505 0.268,506 0.166,507 6854,508 19534,509 2.154,510 41.9,511 2,512 9,513 1,514 2,515 2,516 2,520 1.686,521 2.055,522 3.21,523 0.273,524 1,525 1,526 1,528 67.56,529 1.571,530 3.714,531 4.691,532 5.008,533 5.054,534 5.054,535 2.695,536 4.484,537 4.611,538 3.343,539 1002.81,540 8.007,541 11865.8,543 1,545 1,546 233.329,547 1.26,548 4.592,549 0.143,550 0.006,551 0.068,552 0.045,553 0.038,554 0.022,555 0.013,556 0.011,557 0.011,558 0.01,559 0.367,560 0.33,561 1,562 0.955,563 118.82,564 0.079,565 0.08,566 0.035,567 0.097,568 -0.018,569 0.054,570 -0.129,571 0.006,572 -0.038,573 0.064,574 -0.085,575 0.036,576 -0.03,577 0.043,578 -0.014,579 0.053,580 -0.055,581 0.03,582 -0.041,583 -0.125,584 -0.101,585 -0.128,586 -0.01,587 -0.125,588 -0.12,589 0.056,590 -0.072,591 0.02,592 -0.073,593 -0.009,594 -0.009,595 -0.094,596 -0.091,597 -0.128,598 -0.052,599 -0.127,600 0.029,601 -0.231,602 -0.019,603 -0.207,604 0.061,605 -0.134,606 -0.04,607 0.007,608 -0.023,609 -0.062,610 -0.029,611 -0.043,612 1.461,613 3.236,614 0.8,615 21.267,616 1.006,617 1.124,618 2.064,619 4.26,620 0.681,621 3.367,622 3.689,623 4.025,624 4.344,625 4.554,626 4.691,627 4.875,628 5.024,629 5.1,630 5.159,631 5.622,632 0.656,633 334.41,634 3.367,635 4.905,636 5.778,637 6.671,638 7.565,639 8.468,640 9.371,641 10.278,642 11.185,643 12.094,644 9.3,652 1,653 1,654 2,657 8,658 2,662 6,663 1,664 17,667 1,679 43,680 18,681 1,682 28,684 46,685 19,686 14,687 3,688 3,689 1,690 4,691 5,694 1,697 2,700 2,702 15,703 4,706 1,711 1,712 1,714 1,715 1,718 18,719 5,720 2,721 6,726 4,729 0.75,730 2,731 1,737 1,739 1,744 2,745 2,748 1,764 2,766 3,774 25,779 2,780 4,795 4.7,796 1,800 1,801 12.167,802 7.617,803 5.639,804 2.559,805 3.366,806 1.45,807 0.969,808 4.244,809 10.852,810 3.651,811 4.266,812 4.904,813 5.532,814 6.053,815 6.418,816 6.901,817 7.328,818 7.701,819 8.003,820 1,821 39,822 9.181,823 3.924,824 7.767,825 17.601,826 14.698,827 2.267,828 56.667,831 1,832 188.338,833 103.14,834 48.473,836 85.489,839 103.14,840 273.827,841 48.473,843 7.175,844 99.112,845 59.747,846 94.609,847 11.771,848 153.024,850 188.338,851 151.612,852 85.489,855 188.338,856 42.806,857 42.683,858 43.05,859 75.113,860 33.449,862 188.338,863 133.962,864 103.14,867 188.338,868 28.616,869 76.3,871 132.185,872 188.338,873 133.962,874 103.14,876 0.568,877 0.347,878 0.204,879 0.11,880 20,881 8,882 0.087,883 4,884 1,885 1.1,886 3.702,887 216.176,888 0.1,889 20,890 112.096,894 15.854,895 6.692,896 2.917,898 132.185,899 15.487,900 8.706,904 6.121,905 1.763,906 85.489,907 425.439,908 37.5,913 3.39,914 0.742,916 43.247,917 48.318,918 0.29,919 0.685,920 0.865,921 0.923,922 0.931,923 0.931,924 4.877,925 1.223,926 5.753,927 3.721,928 4.369,929 4.952,930 2.077,931 6.594,932 4.323,933 6.085,934 1,935 7.322,936 3.009,937 3.892,938 4.677,940 7.545,941 3.843,942 7.398,943 0.938,944 8.995,945 2.219,946 5.979,947 7.162,948 3.234,949 10.686,950 5.904,951 8.752,952 0.789,953 10.731,954 2.136,955 6.399,956 7.769,958 12.499,959 6.324,960 10.141,961 0.74,962 12.509,963 1.67,964 7.904,965 9.664,966 4.456,967 15.137,968 7.807,969 11.555,970 0.246,971 14.314,972 1.602,973 8.726,974 10.683,976 17.286,977 8.627,978 12.987,979 -0.419,980 16.139,981 0.393,982 10.005,983 12.328,984 5.698,985 19.757,986 9.889,987 3.205,988 -0.53,989 17.978,990 -0.698,991 11.009,992 13.553,994 22.043,995 10.886,996 3.032,997 11.05,998 19.829,999 -1.344,1000 12.201,1001 15.084,1002 6.946,1003 24.456,1004 12.064,1005 2.464,1006 10.25,1007 21.688,1008 4.287,1009 13.284,1010 16.413,1012 26.797,1013 13.138,1014 2.32,1015 7.804,1016 23.553,1017 3.985,1018 14.445,1019 17.892,1020 8.196,1021 29.19,1022 14.286,1023 1.897,1024 6.828,1025 25.425,1026 3.367,1027 15.564,1028 19.274,1030 31.556,1031 15.394,1032 1.675,1033 5.756,1034 27.3,1035 3.068,1036 16.714,1037 20.73,1038 9.447,1039 33.943,1040 16.531,1041 1.451,1042 4.321,1043 29.18,1044 2.516,1045 17.849,1046 22.14,1048 36.32,1049 17.654,1050 6548,1051 11139,1052 19.186,1053 29.262,1054 42.263,1055 44.605,1056 43.423,1057 42.01,1058 41.958,1059 55.967,1060 3.737,1061 121.513,1062 40.86,1063 5.395,1064 5.778,1065 6.541,1066 5.227,1067 5.205,1068 7.287,1069 3.737,1070 18.255,1071 5.165,1072 9.347,1073 1.509,1074 1.593,1075 1.551,1076 1.5,1077 1.499,1078 1.999,1079 0.133,1080 4.34,1081 1.459,1082 4.096,1083 4.131,1084 4.058,1085 4.02,1086 6.543,1087 4.023,1088 3.924,1089 3.963,1090 3.874,1091 3.821,1092 6.456,1093 3.829,1094 3.738,1095 3.796,1096 3.67,1097 3.574,1098 5.001,1099 3.591,1100 3.471,1101 3.521,1102 3.361,1103 3.315,1104 4.811,1105 3.316,1106 3.288,1107 3.346,1108 3.154,1109 3.099,1110 4.671,1111 3.099,1112 3.058,1113 3.116,1114 2.935,1115 2.852,1116 4.1,1117 2.86,1118 2.854,1119 2.925,1120 2.687,1121 2.735,1122 3.788,1123 2.715,1124 2.755,1125 2.822,1126 2.653,1127 2.527,1128 3.717,1129 2.547,1130 0.163,1131 0.135,1132 0.241,1133 0.15,1134 0.114,1135 4.565,1136 0.153,1137 3.778,1138 0.067,1139 6.739,1140 0.395,1141 4.192,1142 0.113,1143 3.205,1144 4.287,1145 1.869,1146 11.05,1147 3.165,1148 1.945,1149 1.927,1150 2.024,1151 2.007,1152 1.219,1153 2.013,1154 1.822,1155 1.79,1156 1.927,1157 1.944,1158 1.066,1159 1.94,1160 1.592,1161 1.525,1162 1.806,1163 1.851,1164 1.036,1165 1.839,1166 1.546,1167 1.49,1168 1.767,1169 1.731,1170 0.98,1171 1.741,1172 1.321,1173 1.288,1174 1.444,1175 1.451,1176 0.61,1177 1.45,1178 1.004,1179 0.927,1180 1.207,1181 1.36,1182 0.297,1183 1.315,1184 0.953,1185 0.9,1186 1.181,1187 1.214,1188 0.218,1189 1.189,1190 0.886,1191 0.821,1192 1.16,1193 1.062,1194 0.206,1195 1.107,1196 4.043,1198 5.361,1199 3.045,1200 6.882,1201 5.416,1202 8.496,1203 7.526,1204 10.159,1211 18.336,1212 2.121,1222 28.203,1223 67.56,1224 159.72,1225 201.72,1226 215.329,1227 217.329,1228 217.329,1229 35.277,1230 7.485,1231 83.53,1232 83.53,1233 22,1234 12.61,1235 4.248,1236 3.392,1237 35.704,1238 81,1239 93,1240 0.213,1241 172.274,1242 292.94,1243 412.11,1244 16818,1246 17.225,1247 0.689,1248 0.545,1249 17.225,1250 13.631,1251 12.296,1252 0.439,1253 0.294,1254 8.126,1255 11.81,1256 7.983,1257 6.568,1258 12.296,1259 8.232,1260 10.595,1261 0.272,1262 0.155,1263 10.595,1264 6.033,1265 9.439,1266 0.172,1267 0.082,1268 9.439,1269 4.524,1270 8.32,1271 0.109,1272 0.044,1273 8.32,1274 3.314,1275 6.576,1276 0.07,1277 0.023,1278 6.576,1279 2.179,1280 0.325,1281 77.271,1282 0.228,1283 23.89,1284 0.614,1285 134,1286 380.88,1287 143.789,1288 373.572,1289 515.79,1290 350,1291 161,1292 387.666,1293 171.596,1294 392.319,1295 569.18,1296 370,1297 5}
{0 CHEMBL535,1 1.584,2 11.655,3 2.998,4 8.987,5 113.678,6 7.117,7 0.355,8 4.101,9 4.238,10 3.612,11 3.603,12 5.199,13 3.578,14 4.649,15 4.852,16 3.983,17 3.985,18 5.735,19 3.943,20 4.864,21 5.08,22 4.051,23 4.122,24 5.954,25 4.066,26 4.978,27 5.196,28 4.03,29 4.168,30 6.076,31 4.077,32 5.06,33 5.324,34 3.954,35 4.095,36 6.164,37 3.994,38 4.949,39 5.221,40 3.905,41 4.029,42 6.047,43 3.935,44 4.824,45 5.053,46 3.867,47 3.978,48 5.943,49 3.895,50 4.825,51 5.057,52 3.837,53 3.927,54 6.073,55 3.851,56 0.042,57 0.89,58 12.112,59 4.992,60 8.39,61 6.881,62 0.257,63 1.392,64 22.895,65 8.086,66 28.708,67 11.698,68 0.357,69 1.638,70 29.378,71 9.964,72 45.373,73 13.974,74 0.334,75 1.713,76 32.841,77 11.644,78 54.094,79 16.456,80 0.714,81 1.689,82 38.27,83 11.448,84 97.478,85 16.832,86 0.566,87 1.535,88 34.091,89 10.532,90 95.888,91 15.545,92 0.404,93 1.417,94 28.873,95 9.612,96 60.464,97 13.7,98 0.648,99 1.43,100 29.772,101 9.203,102 101.382,103 12.854,104 59,105 44,106 0.262,107 0.599,108 0.765,109 0.838,110 0.838,111 0.838,112 3.408,113 0.956,114 -3.6,115 -3.57,116 -3.41,118 39.3,119 4,124 4,131 1,132 1,136 3,137 3,138 2,146 2,149 2,161 6,164 4,166 2,168 8,169 7,173 3,175 1,177 6,179 8,183 4,185 1,186 1,187 3,189 8,192 1,193 4,195 1,196 1,197 5,200 5,203 4,207 4,208 4,211 6,214 1,216 3,217 6,219 1,220 2,222 2,223 1,224 1,226 5,229 2,233 3,235 5,238 1395,239 19.24,240 19.24,241 19.24,242 19.24,243 19.24,244 17.408,245 25.99,246 11.043,247 19.62,248 15.105,249 15.105,250 15.105,251 15.105,252 15.105,253 12.167,254 30.71,255 5.039,256 15.616,257 4.223,258 2.178,259 1.175,260 0.732,261 0.732,262 0.732,263 4.082,266 1,267 1,268 707,269 4.062,271 154.273,272 84.801,275 128.978,279 2.105,280 37.028,283 1,284 1,285 1,286 1,287 1,288 1,289 1,290 1,291 63.5,292 338,293 4.619,294 3.668,295 6.845,296 4.245,297 3.256,298 4.332,299 1.058,300 11.257,301 3.22,302 4.49,303 3.635,304 6.721,305 4.136,306 3.145,307 4.111,308 1.058,309 10.905,310 3.113,311 3.829,312 2.996,313 5.705,314 3.416,315 2.463,316 3.258,317 0.8,318 7.519,319 2.375,320 3.628,321 2.971,322 5.455,323 3.355,324 2.406,325 2.899,327 6.694,328 2.255,329 3.438,330 2.78,331 5.271,332 3.242,333 2.267,334 2.569,336 6.623,337 2.192,338 3.317,339 2.546,340 4.966,341 2.899,342 1.936,343 2.442,345 5.734,346 1.844,347 3.173,348 2.205,349 4.871,350 2.803,351 1.823,352 2.338,354 5.105,355 1.774,356 3.033,357 1.951,358 4.707,359 2.635,360 1.64,361 2.146,363 4.754,364 1.62,365 2.728,366 1.567,367 4.407,368 2.374,369 1.413,370 1.77,372 3.88,373 1.355,374 2.382,375 1.546,376 3.65,377 2.036,378 1.042,379 1.241,381 2.355,382 1.029,383 2.163,384 0.941,385 3.368,386 1.773,387 0.787,388 1.057,389 2.007,390 0.771,391 1.618,392 0.82,393 3.011,394 1.591,395 0.618,396 0.618,397 0.791,398 0.6,399 1.513,400 0.744,401 2.628,402 1.138,403 0.177,404 0.203,405 0.399,406 0.168,407 1.183,408 0.576,409 2.618,410 1.037,411 0.066,412 0.078,413 0.124,414 0.063,415 1.042,416 0.375,417 2.459,418 0.77,419 -0.24,420 -0.277,421 -0.524,422 -0.238,423 13.552,424 0.467,425 0.822,426 0.028,427 33.5,428 1.155,429 15,430 0.517,431 18.5,432 0.638,433 28.078,434 0.968,435 32.648,436 0.583,437 27.063,438 0.933,439 6.772,440 0.234,441 7.078,442 0.244,443 0.218,445 0.398,448 1,449 0.676,450 1.273,451 0.827,452 1.147,453 0.544,454 1.031,455 0.653,456 1.063,457 0.753,458 0.935,459 0.489,460 0.866,461 1.045,462 0.979,463 0.964,464 0.941,465 0.905,466 0.924,467 0.854,468 1.157,469 1.037,470 1.261,471 0.867,472 1.201,473 1.031,474 0.824,475 0.956,476 0.87,477 1.142,478 0.898,479 0.887,480 0.832,481 0.814,482 0.796,483 0.831,484 0.782,485 0.966,486 0.95,487 0.971,488 1.055,489 1.062,490 1.029,491 1.226,492 0.956,493 1.076,494 0.927,495 1.288,496 0.968,497 6.5,498 0.086,499 3.778,500 3.368,501 1.503,502 1.07,503 0.754,504 0.607,505 0.463,506 0.194,507 10261,508 26966,509 1.973,510 48.2,511 3,512 12,515 3,516 3,517 6,520 1.719,521 1.794,522 3.48,523 0.891,524 1,525 1,528 88.722,529 1.584,530 3.63,531 4.633,532 5.075,533 5.075,534 5.075,535 2.945,536 4.487,537 4.825,538 3.702,539 1503.13,540 8.406,541 20612.1,543 1,545 1,546 325.212,547 1.556,548 4.756,549 0.21,550 0.005,551 0.086,552 0.073,553 0.036,554 0.028,555 0.02,556 0.017,557 0.014,558 0.008,559 0.496,560 0.33,561 1,562 1.766,563 148.127,564 -0.05,565 -0.12,566 0.029,567 -0.024,568 -0.046,569 0.012,570 0.072,571 -0.021,572 0.162,573 0.094,574 0.093,575 0.138,576 -0.107,577 0.081,578 -0.009,579 0.066,580 -0.036,581 0.059,582 -0.003,583 -0.198,584 -0.098,585 -0.243,586 -0.002,587 -0.201,588 0.014,589 0.03,590 0.048,591 0.059,592 -0.045,593 0.055,594 0.053,595 0.076,596 0.178,597 0.156,598 0.098,599 0.193,600 -0.01,601 -0.052,602 -0.006,603 -0.067,604 -0.037,605 -0.046,606 0.004,607 0.02,608 -0.061,609 0.03,610 0.027,611 -0.021,612 2.071,613 5.703,614 0.483,615 30.19,616 1.003,617 1.138,618 2.373,619 5.63,620 0.643,621 3.466,622 3.807,623 4.094,624 4.357,625 4.489,626 4.564,627 4.718,628 4.852,629 4.844,630 4.875,631 7.02,632 0.611,633 398.53,634 3.466,635 5.017,636 5.878,637 6.77,638 7.651,639 8.551,640 9.443,641 10.348,642 11.247,643 12.154,644 7.1,647 1,651 2,652 1,657 3,659 1,662 7,664 11,670 1,678 1,679 56,680 14,681 1,682 31,684 58,685 22,686 10,687 3,688 3,689 4,690 3,691 4,694 4,702 14,703 8,706 3,709 2,710 1,712 3,715 1,716 1,718 27,719 6,720 3,721 7,726 4,729 0.667,730 2,741 1,744 2,745 1,748 1,755 1,758 1,759 1,763 1,766 2,770 4,772 1,774 29,780 4,781 2,785 1,794 1,795 3.6,798 2,801 16.167,802 11.26,803 6.528,804 3.655,805 2.844,806 1.383,807 0.973,808 6.557,809 10.273,810 3.701,811 4.287,812 4.865,813 5.431,814 5.869,815 6.183,816 6.595,817 7.004,818 7.275,819 7.594,820 0.875,821 46,822 10.811,823 4.602,824 7.92,825 20.383,826 16.46,827 2.42,828 70.167,831 1,832 282.506,833 121.171,834 55.931,836 50.29,837 14.96,839 121.171,840 332.796,841 70.891,842 35.301,843 44.444,844 37.905,845 59.699,846 44.53,847 20.474,848 282.506,850 282.506,851 177.103,852 65.25,855 226.84,856 120.916,858 99.655,859 67.972,860 9.476,862 297.467,863 106.221,864 121.171,867 282.506,868 47.966,869 76.33,870 52.807,871 65.25,872 282.506,873 121.181,874 121.171,876 0.584,877 0.356,878 0.187,879 0.091,880 20,881 11,882 0.121,883 7,884 1,885 1.143,886 3.936,887 249.067,888 0.143,889 14,890 136.881,894 21.284,895 8.934,896 4.439,898 104.396,899 4.197,901 3.187,904 3.428,906 52.807,907 524.859,908 39.5,911 25.049,912 1.676,914 -0.06,916 56.178,917 63.734,918 0.273,919 0.625,920 0.798,921 0.874,922 0.874,923 0.874,924 4.961,925 1.64,926 5.889,927 5.105,928 4.489,929 4.973,930 1.863,931 6.739,932 4.434,933 6.182,934 1.413,935 7.482,936 4.754,937 4.205,938 4.924,939 0.325,940 7.735,941 4.139,942 7.509,943 1.042,944 9.173,945 3.88,946 6.125,947 7.166,948 1.868,949 10.853,950 6.031,951 8.873,952 0.787,953 10.921,954 2.355,955 6.648,956 7.93,957 0.268,958 12.69,959 6.556,960 10.27,961 0.618,962 12.706,963 2.007,964 8.072,965 9.691,966 1.93,967 15.345,968 7.96,969 11.691,970 0.177,971 14.518,972 0.791,973 8.958,974 10.825,975 0.188,976 17.53,977 8.85,978 13.132,979 0.066,980 16.35,981 0.399,982 10.206,983 12.403,984 2.01,985 20.027,986 10.084,987 3.256,988 -0.24,989 18.199,990 0.124,991 11.253,992 13.707,993 0.125,994 22.35,995 11.131,996 3.145,997 11.257,998 20.061,999 -0.524,1000 12.441,1001 15.209,1002 2.099,1003 24.79,1004 12.309,1005 2.463,1006 10.905,1007 21.933,1008 4.332,1009 13.556,1010 16.591,1011 0.082,1012 27.166,1013 13.42,1014 2.406,1015 7.519,1016 23.814,1017 4.111,1018 14.725,1019 18.063,1020 2.193,1021 29.586,1022 14.58,1023 2.267,1024 6.694,1025 25.702,1026 3.258,1027 15.869,1028 19.48,1029 0.054,1030 31.982,1031 15.718,1032 1.936,1033 6.623,1034 27.595,1035 2.899,1036 17.035,1037 20.939,1038 2.291,1039 34.395,1040 16.874,1041 1.823,1042 5.734,1043 29.493,1044 2.569,1045 18.192,1046 22.374,1047 0.035,1048 36.799,1049 18.022,1050 10241,1051 16865,1052 19.709,1053 36.006,1054 46.73,1055 48.507,1056 49.823,1057 46.081,1058 46.081,1059 58.126,1060 5.833,1061 136.296,1062 44.76,1063 5.545,1064 5.668,1065 6.463,1066 5.284,1067 5.256,1068 7.332,1069 2.117,1070 18.419,1071 5.22,1072 18.634,1073 1.507,1074 1.565,1075 1.607,1076 1.486,1077 1.486,1078 1.875,1079 0.188,1080 4.397,1081 1.444,1082 4.085,1083 4.115,1084 4.05,1085 3.991,1086 8.201,1087 4.001,1088 3.94,1089 3.971,1090 3.904,1091 3.839,1092 7.431,1093 3.85,1094 3.755,1095 3.837,1096 3.619,1097 3.55,1098 7.427,1099 3.555,1100 3.494,1101 3.548,1102 3.44,1103 3.343,1104 4.819,1105 3.357,1106 3.424,1107 3.476,1108 3.311,1109 3.205,1110 4.646,1111 3.21,1112 3.306,1113 3.407,1114 3.04,1115 3.123,1116 4.338,1117 3.089,1118 3.202,1119 3.297,1120 2.998,1121 3.023,1122 4.045,1123 3.002,1124 3.093,1125 3.147,1126 2.944,1127 2.856,1128 3.997,1129 2.88,1130 0.149,1131 0.118,1132 0.221,1133 0.137,1134 0.105,1135 4.619,1136 0.14,1137 3.668,1138 0.034,1139 6.845,1140 0.363,1141 4.245,1142 0.104,1143 3.256,1144 4.332,1145 1.058,1146 11.257,1147 3.22,1148 1.891,1149 1.872,1150 1.969,1151 1.971,1152 1.217,1153 1.971,1154 1.744,1155 1.705,1156 1.963,1157 1.96,1158 1.113,1159 1.965,1160 1.685,1161 1.627,1162 1.845,1163 1.84,1164 1.005,1165 1.836,1166 1.637,1167 1.585,1168 1.792,1169 1.83,1170 0.919,1171 1.823,1172 1.388,1173 1.31,1174 1.725,1175 1.634,1176 0.87,1177 1.657,1178 1.351,1179 1.291,1180 1.697,1181 1.584,1182 0.869,1183 1.638,1184 1.343,1185 1.256,1186 1.545,1187 1.575,1188 0.612,1189 1.558,1190 0.998,1191 0.935,1192 1.258,1193 1.282,1194 0.316,1195 1.283,1196 4.143,1198 5.476,1199 3.045,1200 6.993,1201 5.533,1202 8.595,1203 7.703,1204 10.247,1206 7.856,1208 13.65,1212 3.24,1213 5.705,1217 2.238,1222 34.22,1223 88.722,1224 203.264,1225 259.437,1226 284.192,1227 284.192,1228 284.192,1229 73.893,1230 7.428,1231 80.99,1232 80.99,1233 16,1234 12.673,1235 3.907,1236 3.248,1237 52.559,1238 121,1239 128,1240 0.213,1241 212.57,1242 376.81,1243 510.432,1244 16523,1245 1.8,1246 21.129,1247 0.729,1248 0.596,1249 20.259,1250 17.28,1251 13.85,1252 0.447,1253 0.319,1254 9.741,1255 13.278,1256 9.393,1257 7.849,1258 13.456,1259 9.879,1260 12.455,1261 0.283,1262 0.162,1263 11.821,1264 7.149,1265 10.606,1266 0.18,1267 0.091,1268 10.264,1269 5.365,1270 8.825,1271 0.115,1272 0.048,1273 8.613,1274 3.663,1275 6.317,1276 0.072,1277 0.023,1278 5.988,1279 2.045,1280 0.337,1281 87.002,1282 0.225,1283 27.641,1284 0.58,1285 150,1286 482.226,1287 166.169,1288 440.779,1289 591.42,1290 410,1291 178,1292 427.916,1293 193.084,1294 427.854,1295 628.8,1296 403,1297 5}
{0 CHEMBL553,1 1.568,2 11.345,3 4.31,4 18.575,5 110.749,6 7.567,7 0.548,8 4.05,9 4.152,10 3.627,11 3.526,12 5.216,13 3.534,14 4.559,15 4.716,16 3.895,17 3.835,18 5.642,19 3.833,20 4.683,21 4.845,22 3.989,23 3.966,24 5.793,25 3.938,26 4.733,27 4.933,28 3.953,29 3.987,30 5.768,31 3.933,32 4.809,33 5.016,34 3.978,35 3.993,36 5.841,37 3.949,38 4.756,39 4.929,40 4.008,41 4.017,42 5.839,43 3.974,44 4.81,45 5.008,46 3.969,47 4.04,48 5.839,49 3.981,50 4.868,51 5.089,52 3.861,53 3.961,54 5.891,55 3.89,56 0.054,57 0.714,58 10.332,59 4.677,60 11.647,61 5.733,62 0.454,63 1.069,64 20.708,65 7.197,66 33.876,67 8.665,68 0.65,69 1.236,70 23.177,71 8.149,72 39.845,73 10.493,74 0.305,75 1.325,76 24.251,77 9.042,78 32.353,79 12.318,80 0.58,81 1.335,82 27.897,83 9.386,84 47.402,85 12.503,86 0.618,87 1.309,88 25.009,89 9.121,90 42.197,91 11.875,92 0.375,93 1.41,94 26.398,95 9.44,96 37.479,97 12.731,98 0.676,99 1.381,100 30.36,101 9.574,102 54.708,103 12.892,104 31,105 40,106 0.261,107 0.608,108 0.734,109 0.816,110 0.822,111 0.828,112 3.408,113 0.881,114 -4.13,115 -4.08,116 -3.86,118 42.3,123 2,124 4,134 1,135 1,136 6,137 2,138 3,140 1,141 1,142 1,161 7,163 1,164 5,166 1,168 3,169 8,172 3,173 5,177 3,179 6,182 1,183 4,185 1,187 3,189 4,192 2,193 4,195 1,197 1,200 5,202 3,203 7,205 1,208 6,210 1,211 6,217 5,219 2,220 6,222 1,226 3,228 2,229 5,231 1,235 1,238 1486,239 20.231,240 20.231,241 20.231,242 20.231,243 20.231,244 18.156,245 25.355,246 12.658,247 21.081,248 15.244,249 15.244,250 15.244,251 15.244,252 15.244,253 11.96,254 33.398,255 5.909,256 16.407,257 4.133,258 2.047,259 1.289,260 0.798,261 0.76,262 0.721,263 4.097,266 1,267 1,268 682,269 3.674,272 246.825,276 132.191,279 1.874,280 25.957,283 1,284 0.83,285 0.83,286 0.8,287 0.5,288 1,289 1,290 0.85,291 63.5,292 329,293 4.576,294 3.304,295 6.586,296 4.1,297 3.136,298 4.513,299 0.86,300 10.539,301 3.024,302 4.143,303 3.021,304 6.058,305 3.703,306 2.742,307 3.734,308 0.86,309 8.765,310 2.658,311 3.986,312 2.877,313 5.609,314 3.548,315 2.592,316 3.488,317 0.86,318 7.719,319 2.446,320 3.608,321 2.47,322 5.22,323 3.101,324 2.143,325 2.885,326 0.86,327 6.393,328 2.053,329 3.385,330 2.413,331 4.889,332 2.865,333 1.923,334 2.648,335 0.4,336 5.548,337 1.814,338 3.041,339 2.207,340 4.525,341 2.663,342 1.762,343 2.233,345 4.576,346 1.568,347 2.914,348 2.059,349 3.977,350 2.505,351 1.618,352 1.891,354 3.444,355 1.426,356 2.818,357 1.888,358 3.619,359 2.411,360 1.492,361 1.789,363 3.079,364 1.361,365 2.628,366 1.506,367 3.536,368 2.221,369 1.285,370 1.631,372 2.753,373 1.213,374 2.615,375 1.335,376 3.495,377 2.144,378 1.202,379 1.513,381 2.621,382 1.113,383 2.511,384 1.278,385 3.163,386 1.633,387 0.757,388 0.885,389 1.559,390 0.658,391 1.926,392 1.081,393 2.853,394 1.539,395 0.705,396 0.853,397 1.184,398 0.584,399 1.758,400 0.574,401 2.832,402 1.43,403 0.431,404 0.731,405 0.629,406 0.43,407 1.433,408 0.527,409 2.673,410 1.114,411 0.201,412 0.233,413 0.434,414 0.182,415 1.182,416 0.247,417 2.599,418 0.824,419 -0.088,420 -0.107,421 -0.191,422 -0.08,423 13.533,424 0.467,425 0.427,426 0.015,427 38.5,428 1.328,429 19.5,430 0.672,431 19,432 0.655,433 21.738,434 0.75,435 31.467,436 0.605,437 30.457,438 1.05,439 8.161,440 0.281,441 6.084,442 0.21,443 0.111,445 0.259,449 0.923,450 1.4,451 0.769,452 1.227,453 0.863,454 1.008,455 1.614,456 0.873,457 1.004,458 0.778,459 1.214,460 0.78,461 1.081,462 1.08,463 0.991,464 0.912,465 0.945,466 0.93,467 0.759,468 1.194,469 0.883,470 1.117,471 0.815,472 1.036,473 1.124,474 0.903,475 0.918,476 0.847,477 0.994,478 0.843,479 0.964,480 1.081,481 0.995,482 1.025,483 0.938,484 1.021,485 0.957,486 1.159,487 1.039,488 1.121,489 0.893,490 1.088,491 1.258,492 0.925,493 1.137,494 0.942,495 1.129,496 0.997,497 4.5,498 0.128,499 2.222,500 1.438,501 1.56,502 0.792,503 0.586,504 0.46,505 0.303,506 0.208,507 9971,508 28979,509 2.053,510 44.2,512 20,513 1,514 1,515 1,520 1.725,521 1.955,522 3.483,523 -0.336,525 1,528 81.519,529 1.568,530 3.653,531 4.412,532 4.902,533 4.941,534 4.979,535 2.957,536 4.858,537 4.82,538 3.63,539 1473.82,540 8.434,541 20207.6,543 1,545 1,546 296.423,547 1.233,548 4.804,549 0.145,550 0.006,551 0.056,552 0.033,553 0.038,554 0.019,555 0.014,556 0.011,557 0.009,558 0.007,559 0.338,560 0.33,561 1,562 1.643,563 147.354,564 -0.043,565 -0.249,566 0.065,567 -0.167,568 -0.038,569 -0.05,570 -0.245,571 0.169,572 -0.022,573 0.2,574 -0.18,575 0.137,576 0.081,577 -0.023,578 -0.039,579 0.074,580 0.011,581 0.006,582 0.037,583 -0.145,584 0.045,585 -0.125,586 0.031,587 -0.055,588 -0.023,589 0.095,590 0.075,591 0.121,592 -0.007,593 0.116,594 0.115,595 -0.045,596 -0.046,597 -0.03,598 0.02,599 -0.066,600 -0.071,601 -0.104,602 -0.1,603 -0.144,604 -0.036,605 -0.126,606 -0.098,607 0.065,608 -0.119,609 -0.004,610 -0.084,611 -0.054,612 1.108,613 2.357,614 0.552,615 32.749,616 1.009,617 1.125,618 2.902,619 8.423,620 0.662,621 3.466,622 3.714,623 3.97,624 4.234,625 4.511,626 4.625,627 4.771,628 4.905,629 5.017,630 5.017,631 6.746,632 0.638,633 393.48,634 3.466,635 4.963,636 5.79,637 6.645,638 7.502,639 8.374,640 9.245,641 10.126,642 11.004,643 11.891,644 5.8,652 1,654 2,656 2,657 7,658 2,662 5,664 17,674 1,677 2,679 52,680 18,681 2,682 31,684 54,685 22,686 14,687 6,688 6,690 3,691 4,701 2,702 14,703 6,715 1,718 23,719 7,720 1,721 7,726 3,729 0.667,730 4,740 1,745 3,749 1,752 1,753 1,765 2,766 2,770 2,774 29,780 4,781 1,782 4,787 1,788 1,793 1,795 7.7,799 2,800 2,801 14.833,802 9.983,803 6.833,804 2.831,805 3.591,806 1.479,807 0.947,808 7.655,809 11.095,810 3.75,811 4.29,812 4.907,813 5.513,814 6.139,815 6.469,816 6.901,817 7.309,818 7.738,819 7.937,820 0.875,821 43,822 10.624,823 4.252,824 7.73,825 20.11,826 15.342,827 2.23,828 64.667,830 1,831 1,832 258.964,833 169.438,834 51.582,836 44,839 169.438,840 302.964,841 51.582,842 21.766,843 18.37,844 56.857,845 67.342,846 69.775,847 54.451,848 235.422,850 258.964,851 221.02,852 44,855 258.964,856 22,857 22,858 47.143,859 123.275,860 50.602,862 258.964,863 95.581,864 169.438,867 258.964,868 41.844,869 87.242,870 35.041,871 100.892,872 258.964,873 95.581,874 169.438,876 0.546,877 0.316,878 0.175,879 0.103,880 16,881 7,882 0.185,883 10,884 1,885 1.125,886 4.043,887 244.412,888 0.125,889 16,890 138.881,894 20.879,895 10.632,896 5.582,897 1.521,898 95.581,899 12.758,900 8.754,904 3.434,906 18.011,907 523.983,908 41.5,916 52.451,917 58.485,918 0.275,919 0.641,920 0.774,921 0.86,922 0.867,923 0.873,924 4.951,925 1.492,926 5.727,927 3.444,928 4.394,929 4.977,930 1.979,931 6.491,932 4.274,933 6.134,934 1.285,935 7.245,936 3.079,937 3.761,938 4.691,940 7.298,941 3.644,942 7.424,943 1.202,944 8.869,945 2.753,946 5.922,947 7.199,948 1.691,949 10.42,950 5.723,951 8.754,952 0.757,953 10.558,954 2.621,955 6.176,956 7.819,958 12.095,959 5.979,960 10.121,961 0.705,962 12.291,963 1.559,964 7.736,965 9.747,966 1.446,967 14.709,968 7.478,969 11.514,970 0.431,971 14.053,972 1.184,973 8.432,974 10.803,976 16.752,977 8.162,978 12.928,979 0.201,980 15.837,981 0.629,982 9.732,983 12.484,984 1.222,985 19.187,986 9.415,987 3.136,988 -0.088,989 17.637,990 0.434,991 10.649,992 13.76,994 21.394,995 10.308,996 2.742,997 10.539,998 19.449,999 -0.191,1000 11.838,1001 15.333,1002 1.019,1003 23.766,1004 11.458,1005 2.592,1006 8.765,1007 21.27,1008 4.513,1009 12.863,1010 16.721,1012 26.047,1013 12.452,1014 2.143,1015 7.719,1016 23.1,1017 3.734,1018 14.007,1019 18.248,1020 0.837,1021 28.399,1022 13.561,1023 1.923,1024 6.393,1025 24.937,1026 3.488,1027 15.084,1028 19.693,1030 30.715,1031 14.604,1032 1.762,1033 5.548,1034 26.779,1035 2.885,1036 16.214,1037 21.202,1038 0.677,1039 33.061,1040 15.699,1041 1.618,1042 4.576,1043 28.626,1044 2.648,1045 17.317,1046 22.675,1048 35.394,1049 16.767,1050 9964,1051 17099,1052 20.86,1053 34.449,1054 45.202,1055 45.105,1056 45.844,1057 43.943,1058 43.976,1059 58.054,1060 7.68,1061 118.489,1062 41.063,1063 5.452,1064 5.304,1065 6.497,1066 5.178,1067 5.136,1068 7.513,1069 1.72,1070 17.476,1071 5.024,1072 12.953,1073 1.458,1074 1.455,1075 1.479,1076 1.418,1077 1.419,1078 1.873,1079 0.248,1080 3.822,1081 1.325,1082 4.079,1083 4.107,1084 4.053,1085 3.979,1086 5.448,1087 3.993,1088 3.896,1089 3.921,1090 3.845,1091 3.843,1092 5.1,1093 3.84,1094 3.614,1095 3.652,1096 3.52,1097 3.37,1098 4.78,1099 3.399,1100 3.555,1101 3.597,1102 3.404,1103 3.297,1104 4.671,1105 3.312,1106 3.386,1107 3.432,1108 3.282,1109 3.202,1110 4.66,1111 3.208,1112 3.244,1113 3.285,1114 3.173,1115 3.135,1116 4.566,1117 3.144,1118 3.135,1119 3.21,1120 2.99,1121 2.903,1122 4.327,1123 2.915,1124 3.071,1125 3.163,1126 2.875,1127 2.825,1128 4.091,1129 2.816,1130 0.148,1131 0.107,1132 0.212,1133 0.132,1134 0.101,1135 4.576,1136 0.146,1137 3.304,1138 0.028,1139 6.586,1140 0.34,1141 4.1,1142 0.098,1143 3.136,1144 4.513,1145 0.86,1146 10.539,1147 3.024,1148 2.008,1149 1.986,1150 2.063,1151 2.127,1152 1.189,1153 2.108,1154 1.892,1155 1.87,1156 1.986,1157 1.969,1158 1.065,1159 1.977,1160 1.514,1161 1.471,1162 1.763,1163 1.79,1164 0.979,1165 1.778,1166 1.482,1167 1.432,1168 1.763,1169 1.772,1170 0.971,1171 1.767,1172 1.31,1173 1.265,1174 1.527,1175 1.553,1176 0.561,1177 1.536,1178 1.233,1179 1.195,1180 1.509,1181 1.416,1182 0.557,1183 1.446,1184 1.105,1185 1.021,1186 1.416,1187 1.371,1188 0.418,1189 1.395,1190 1.075,1191 0.978,1192 1.367,1193 1.327,1194 0.225,1195 1.351,1196 4.143,1198 5.407,1200 6.882,1202 8.468,1204 10.116,1206 3.25,1212 1.726,1213 3.3,1214 21.802,1219 5.494,1221 2.629,1222 33.191,1223 81.519,1224 189.959,1225 229.403,1226 254.913,1227 256.913,1228 258.913,1229 45.889,1230 7.504,1231 74.73,1232 74.73,1233 18,1234 12.425,1235 4.248,1236 3.524,1237 52.144,1238 114,1239 130,1240 0.222,1241 206.716,1242 361.14,1243 496.146,1244 18053,1246 20.476,1247 0.706,1248 0.568,1249 20.476,1250 16.475,1251 14.245,1252 0.46,1253 0.294,1254 8.897,1255 13.453,1256 8.657,1257 7.212,1258 14.245,1259 9.108,1260 11.641,1261 0.291,1262 0.152,1263 11.641,1264 6.071,1265 9.67,1266 0.186,1267 0.079,1268 9.67,1269 4.083,1270 7.984,1271 0.117,1272 0.039,1273 7.984,1274 2.683,1275 6.697,1276 0.074,1277 0.02,1278 6.697,1279 1.816,1280 0.345,1281 91.017,1282 0.219,1283 27.527,1284 0.619,1285 142,1286 484.565,1287 159.12,1288 452.573,1289 611.63,1290 428,1291 163,1292 431.547,1293 180.455,1294 439.29,1295 635.11,1296 408,1297 5}
{0 CHEMBL554,1 1.816,2 17.4,3 6.255,4 39.126,5 152.448,6 8.805,7 0.636,8 4.306,9 4.395,10 4.109,11 3.908,12 5.446,13 3.881,14 4.829,15 4.958,16 4.397,17 4.268,18 6.123,19 4.239,20 5.076,21 5.243,22 4.42,23 4.346,24 6.269,25 4.299,26 5.076,27 5.278,28 4.34,29 4.305,30 6.187,31 4.234,32 5.025,33 5.23,34 4.277,35 4.306,36 6.114,37 4.221,38 4.952,39 5.129,40 4.381,41 4.311,42 6.078,43 4.24,44 4.986,45 5.172,46 4.433,47 4.32,48 6.18,49 4.243,50 4.938,51 5.12,52 4.341,53 4.213,54 6.171,55 4.146,56 0.16,57 1.011,58 12.31,59 6.42,60 21.401,61 6.763,62 0.486,63 1.617,64 26.002,65 10.989,66 63.858,67 11.764,68 0.911,69 1.929,70 36.244,71 13.271,72 105.739,73 14.463,74 0.861,75 1.894,76 37.427,77 13.509,78 86.989,79 16.077,80 0.9,81 1.805,82 40.185,83 13.57,84 93.378,85 16.058,86 0.663,87 1.655,88 29.907,89 12.198,90 64.253,91 14.715,92 0.713,93 1.742,94 34.463,95 12.827,96 64.704,97 15.491,98 0.726,99 1.618,100 35.717,101 12.338,102 78.312,103 14.109,104 31,105 62,106 0.283,107 0.622,108 0.804,109 0.906,110 0.906,111 0.906,112 3.717,113 1.011,114 -5.1,115 -5,116 -4.68,118 43.9,123 1,124 4,136 12,137 3,138 4,140 1,141 1,142 1,146 2,161 10,163 2,164 8,166 1,168 3,169 11,173 10,175 1,177 3,179 9,183 8,185 3,187 4,189 8,193 3,195 1,197 2,200 10,202 2,203 5,205 1,207 3,208 13,210 3,211 6,216 4,217 9,220 6,224 2,226 8,228 1,229 6,231 2,232 1,233 1,235 5,238 3850,239 26.703,240 26.703,241 26.703,242 26.703,243 26.703,244 22.984,245 28.108,246 15.708,247 27.495,248 21.775,249 21.775,250 21.775,251 21.775,252 21.775,253 16.106,254 40.3,255 7.533,256 23.138,257 4.229,258 2.048,259 0.875,260 0.224,261 0.224,262 0.224,263 4.421,264 1,267 1,268 1499,269 4.301,271 115.698,272 520.673,276 201.137,279 3.11,280 50.596,283 0.75,284 0.67,285 0.67,286 0.5,287 0.5,288 0.67,289 0.5,290 0.61,291 87.833,292 696,293 4.622,294 5.046,295 6.557,296 4.091,297 3.113,298 4.484,299 2.95,300 10.419,301 3.053,302 4.553,303 3.295,304 6.394,305 3.952,306 3.098,307 4.423,308 1.151,309 9.951,310 2.799,311 4.254,312 3.144,313 6.141,314 3.843,315 2.887,316 3.899,317 0.657,318 9.089,319 2.635,320 4.203,321 2.997,322 6.071,323 3.77,324 2.813,325 3.853,326 0.4,327 8.773,328 2.608,329 4.037,330 2.926,331 5.503,332 3.614,333 2.641,334 3.645,336 7.439,337 2.56,338 3.688,339 2.624,340 5.406,341 3.324,342 2.358,343 3.091,345 7.038,346 2.285,347 3.574,348 2.541,349 5.292,350 3.199,351 2.241,352 2.932,354 6.74,355 2.112,356 3.348,357 2.408,358 5.006,359 2.929,360 1.991,361 2.683,363 5.733,364 1.853,365 3.281,366 2.239,367 4.748,368 2.839,369 1.885,370 2.54,372 5.298,373 1.788,374 2.987,375 2.071,376 4.32,377 2.536,378 1.588,379 2.201,381 4.068,382 1.504,383 2.848,384 1.963,385 4.186,386 2.363,387 1.472,388 1.979,389 3.785,390 1.329,391 2.764,392 1.679,393 4.053,394 2.358,395 1.427,396 1.859,397 3.38,398 1.24,399 2.671,400 1.456,401 3.628,402 2.192,403 1.206,404 1.75,405 2.904,406 1.182,407 2.471,408 1.349,409 3.49,410 2.176,411 1.199,412 1.461,413 2.627,414 1.168,415 2.367,416 1.237,417 3.426,418 1.902,419 0.942,420 1.314,421 2.268,422 0.902,423 19.267,424 0.482,425 1.113,426 0.028,427 56,428 1.4,429 30,430 0.75,431 26,432 0.65,433 33.504,434 0.838,435 42.533,436 0.644,437 46.672,438 1.167,439 11.054,440 0.276,441 8.177,442 0.204,443 0.112,444 0.043,445 0.285,448 1,449 0.647,450 1.128,451 0.688,452 1.073,453 0.623,454 0.875,455 0.858,456 1.063,457 0.966,458 1.127,459 0.602,460 0.949,461 1.253,462 1.062,463 1.009,464 0.989,465 1.243,466 1.028,467 0.982,468 0.95,469 0.884,470 0.885,471 0.783,472 0.97,473 0.95,474 0.822,475 1.089,476 0.878,477 0.811,478 0.926,479 0.713,480 0.876,481 0.769,482 0.874,483 0.661,484 0.953,485 0.708,486 0.976,487 0.962,488 0.935,489 0.532,490 0.95,491 1.046,492 1.077,493 1.104,494 1.056,495 0.899,496 1.046,497 9.5,498 0.247,499 4,500 2.035,501 2.117,502 1.153,503 0.772,504 0.813,505 0.45,506 0.353,507 30303,508 99733,509 2.086,510 39.4,512 23,514 1,515 2,520 1.796,521 1.959,522 4.033,523 0.174,528 119.837,529 1.816,530 3.996,531 5.169,532 5.821,533 5.821,534 5.821,535 3.504,536 4.934,537 5.283,538 4.275,539 3334.52,540 9.312,541 61875.3,546 398.93,547 1.479,548 5.251,549 0.216,550 0.006,551 0.065,552 0.034,553 0.039,554 0.022,555 0.014,556 0.014,557 0.009,558 0.009,559 0.428,560 0.17,561 0.63,562 1.173,563 231.191,564 -0.002,565 -0.083,566 0.11,567 -0.042,568 -0.104,569 0.023,570 -0.003,571 -0.054,572 -0.09,573 -0.114,574 0.145,575 -0.033,576 -0.163,577 -0.09,578 -0.129,579 -0.067,580 -0.176,581 -0.099,582 -0.052,583 -0.031,584 -0.005,585 0.017,586 -0.037,587 0.001,588 -0.045,589 0.137,590 -0.085,591 0.081,592 -0.061,593 0.073,594 0.049,595 -0.014,596 0.078,597 0.042,598 -0.026,599 0.021,600 0.093,601 -0.067,602 0.064,603 0.02,604 0.098,605 0.036,606 -0.04,607 -0.117,608 -0.02,609 -0.1,610 0.012,611 -0.064,612 3.936,613 5.431,614 0.675,615 67.613,616 1.019,617 1.121,618 3.87,619 14.981,620 0.703,621 3.807,622 4.143,623 4.344,624 4.595,625 4.82,626 4.92,627 5.075,628 5.257,629 5.429,630 5.533,631 10.081,632 0.677,633 581.11,634 3.807,635 5.361,636 6.192,637 7.069,638 7.916,639 8.795,640 9.651,641 10.531,642 11.394,643 12.276,644 6.1,646 1,652 1,654 2,656 2,657 13,658 2,660 1,662 9,664 28,674 1,677 1,678 2,679 66,680 30,681 3,682 44,684 70,685 29,686 24,687 8,688 10,690 5,691 6,692 1,702 24,703 5,706 2,708 1,709 2,716 1,717 1,718 26,719 9,720 2,721 11,722 2,726 4,729 0.8,730 4,740 1,744 1,745 4,749 1,762 1,766 4,768 1,770 1,771 1,772 1,774 40,777 1,780 4,781 2,782 1,794 2,795 6.1,798 2,800 2,801 20.417,802 12.102,803 8.569,804 3.666,805 5.393,806 1.607,807 1.012,808 8.671,809 14.284,810 4.111,811 4.769,812 5.28,813 5.87,814 6.415,815 6.737,816 7.187,817 7.696,818 8.193,819 8.511,820 0.917,821 59,822 14.909,823 6.547,824 7.934,825 27.822,826 22.939,827 2.434,828 97.361,832 282.506,833 190.209,834 69.593,835 39.149,836 64.82,837 14.96,838 6.046,839 184.163,840 386.475,841 84.553,842 7.19,843 9.703,844 137.772,845 89.655,846 78.847,847 28.186,848 270.735,849 39.149,850 282.506,851 253.756,852 79.78,853 45.195,855 297.467,856 64.82,858 56.488,859 163.697,860 78.766,862 297.467,863 134.413,864 229.358,866 6.046,867 282.506,868 54.639,869 129.524,870 36.022,871 152.5,872 282.506,873 149.373,874 229.358,876 0.587,877 0.317,878 0.165,879 0.089,880 29,881 13,882 0.157,883 11,884 1,885 1.074,886 5.12,887 384.556,888 0.074,889 27,890 210.877,893 1,894 28.063,895 12.359,896 7.595,897 1.531,898 149.373,899 22.46,900 8.797,902 5.974,904 4.748,906 36.022,907 661.237,908 60,910 -3.019,911 22.593,916 67.232,917 74.017,918 0.3,919 0.661,920 0.855,921 0.963,922 0.963,923 0.963,924 5.347,925 1.991,926 6.196,927 6.74,928 4.828,929 5.457,930 3.102,931 6.991,932 4.715,933 6.587,934 1.885,935 7.747,936 5.733,937 4.511,938 5.46,940 7.978,941 4.281,942 7.923,943 1.588,944 9.397,945 5.298,946 6.45,947 7.761,948 5.052,949 10.949,950 6.229,951 9.296,952 1.472,953 11.105,954 4.068,955 6.909,956 8.551,958 12.71,959 6.57,960 10.699,961 1.427,962 12.85,963 3.785,964 8.347,965 10.36,966 7.188,967 15.235,968 8.009,969 12.124,970 1.206,971 14.619,972 3.38,973 9.151,974 11.502,976 17.304,977 8.711,978 13.564,979 1.199,980 16.405,981 2.904,982 10.391,983 13.117,984 9.348,985 19.683,986 9.937,987 3.113,988 0.942,989 18.204,990 2.627,991 11.357,992 14.429,994 21.884,995 10.819,996 3.098,997 10.419,998 20.013,999 2.268,1000 12.516,1001 15.962,1002 11.511,1003 24.214,1004 11.952,1005 2.887,1006 9.951,1007 21.83,1008 4.484,1009 13.558,1010 17.357,1012 26.473,1013 12.927,1014 2.813,1015 9.089,1016 23.653,1017 4.423,1018 14.686,1019 18.857,1020 13.675,1021 28.789,1022 14.023,1023 2.641,1024 8.773,1025 25.482,1026 3.899,1027 15.764,1028 20.294,1030 31.077,1031 15.048,1032 2.358,1033 7.439,1034 27.315,1035 3.853,1036 16.881,1037 21.781,1038 15.838,1039 33.39,1040 16.131,1041 2.241,1042 7.038,1043 29.152,1044 3.645,1045 17.978,1046 23.241,1048 35.693,1049 17.184,1050 28660,1051 52166,1052 29.413,1053 46.421,1054 65.729,1055 68.668,1056 66.391,1057 65.963,1058 65.621,1059 89.227,1060 10.316,1061 188.384,1062 61.69,1063 5.518,1064 7.046,1065 6.203,1066 5.17,1067 5.113,1068 7.484,1069 5.9,1070 17.268,1071 5.053,1072 20.781,1073 1.494,1074 1.561,1075 1.509,1076 1.499,1077 1.491,1078 2.028,1079 0.234,1080 4.281,1081 1.402,1082 4.112,1083 4.135,1084 4.721,1085 4.031,1086 8.201,1087 4.029,1088 3.993,1089 3.968,1090 4.089,1091 3.989,1092 7.715,1093 3.869,1094 3.944,1095 3.959,1096 3.992,1097 3.865,1098 6.999,1099 3.845,1100 3.883,1101 3.898,1102 3.852,1103 3.804,1104 5.124,1105 3.802,1106 3.834,1107 3.848,1108 3.82,1109 3.708,1110 5.008,1111 3.723,1112 3.442,1113 3.508,1114 3.396,1115 3.258,1116 4.963,1117 3.269,1118 3.329,1119 3.389,1120 3.306,1121 3.129,1122 4.661,1123 3.128,1124 3.237,1125 3.284,1126 3.21,1127 3.041,1128 4.422,1129 3.052,1130 0.105,1131 0.115,1132 0.149,1133 0.093,1134 0.071,1135 4.622,1136 0.102,1137 5.046,1138 0.067,1139 6.557,1140 0.237,1141 4.091,1142 0.069,1143 3.113,1144 4.484,1145 2.95,1146 10.419,1147 3.053,1148 2.024,1149 2,1150 2.082,1151 2.128,1152 1.278,1153 2.115,1154 1.907,1155 1.886,1156 2.012,1157 2.007,1158 1.209,1159 2.021,1160 1.845,1161 1.86,1162 1.925,1163 1.952,1164 1.131,1165 2.009,1166 1.831,1167 1.825,1168 1.863,1169 1.928,1170 1.043,1171 1.934,1172 1.58,1173 1.543,1174 1.689,1175 1.758,1176 0.935,1177 1.774,1178 1.475,1179 1.448,1180 1.578,1181 1.652,1182 0.706,1183 1.634,1184 1.254,1185 1.192,1186 1.498,1187 1.466,1188 0.619,1189 1.491,1190 1.189,1191 1.141,1192 1.436,1193 1.436,1194 0.589,1195 1.43,1196 4.489,1198 5.82,1199 2.398,1200 7.324,1201 4.595,1202 8.909,1203 6.581,1204 10.538,1206 1.21,1207 6.467,1208 13.431,1212 1.023,1213 6.374,1214 5.772,1222 44.664,1223 119.837,1224 263.751,1225 341.156,1226 384.175,1227 384.175,1228 384.175,1229 86.039,1230 8.891,1231 106.35,1232 114.73,1233 29,1234 12.815,1235 4.954,1236 4.087,1237 64.222,1238 236,1239 246,1240 0.127,1241 277.749,1242 478.59,1243 669.468,1244 119639,1245 3,1246 28.114,1247 0.703,1248 0.577,1249 27.994,1250 23.098,1251 19.231,1252 0.437,1253 0.337,1254 12.42,1255 17.419,1256 11.923,1257 9.834,1258 20.053,1259 14.834,1260 18.301,1261 0.295,1262 0.192,1263 19.443,1264 11.883,1265 13.964,1266 0.184,1267 0.095,1268 14.461,1269 7.249,1270 11.62,1271 0.119,1272 0.049,1273 11.935,1274 4.777,1275 9.263,1276 0.075,1277 0.025,1278 9.52,1279 3.131,1280 0.208,1281 133.238,1282 0.184,1283 36.86,1284 0.328,1285 212,1286 728.073,1287 279.714,1288 723.579,1289 959.49,1290 670,1291 244,1292 651.272,1293 313.061,1294 690.535,1295 995.65,1296 645,1297 5}
{0 CHEMBL558752,1 1.859,2 15.514,3 6.607,4 43.648,5 120.68,6 9.782,7 0.659,8 4.14,9 4.241,10 3.906,11 3.631,12 5.441,13 3.695,14 4.683,15 4.815,16 4.421,17 3.997,18 6.599,19 4.072,20 4.805,21 4.965,22 4.34,23 4.068,24 6.253,25 4.114,26 4.895,27 5.085,28 4.275,29 4.037,30 6.334,31 4.074,32 4.791,33 4.996,34 4.103,35 4.001,36 6.06,37 3.997,38 4.741,39 4.935,40 4.143,41 4.003,42 6.101,43 3.988,44 4.747,45 4.941,46 4.074,47 3.937,48 6.053,49 3.946,50 4.679,51 4.874,52 4.136,53 3.832,54 6.21,55 3.859,56 0.433,57 1.298,58 4.994,59 4.463,60 58,61 3.926,62 1.625,63 2.602,64 13.283,65 7.528,66 256.909,67 6.634,68 1.126,69 2.085,70 15.851,71 8.278,72 96.766,73 8.136,74 1.547,75 2.154,76 21.864,77 9.137,78 163.102,79 8.751,80 1.325,81 1.796,82 22.163,83 9.058,84 161.056,85 9.772,86 1.088,87 1.738,88 18.796,89 8.595,90 93.831,91 10.334,92 1.274,93 1.818,94 20.869,95 9.059,96 151.43,97 9.427,98 1.392,99 1.646,100 18.967,101 7.413,102 127.495,103 8.361,104 54,105 62,106 0.303,107 0.633,108 0.765,109 0.865,110 0.865,111 0.865,112 3.642,113 0.779,114 -4.97,115 -4.87,116 -4.57,118 45.3,123 1,129 2,136 9,137 1,138 3,139 1,140 3,145 1,146 1,152 1,153 1,161 5,163 1,164 8,166 3,168 2,169 6,172 1,173 5,175 1,177 3,179 3,182 2,183 5,187 3,189 4,192 2,193 5,195 1,197 2,200 2,203 6,205 1,208 4,211 5,216 2,217 6,219 1,220 3,224 3,226 4,228 2,229 2,231 1,235 1,238 2716,239 24.01,240 24.01,241 24.01,242 24.01,243 24.01,244 20.926,245 25.984,246 13.55,247 25.018,248 20.258,249 20.258,250 20.258,251 20.258,252 20.258,253 15.539,254 34.25,255 6.477,256 22.116,257 3.869,258 1.842,259 1.034,260 0.42,261 0.42,262 0.42,263 4.34,267 1,268 1245,269 4.416,271 199.753,272 366.296,275 165.703,279 2.662,280 69.66,283 0.75,284 0.83,285 0.83,286 0.3,288 0.83,289 1,290 0.65,291 87,292 574,293 4.63,294 4.461,295 7.121,296 4.188,297 3.334,298 4.586,299 3.825,300 11.714,301 2.998,302 4.5,303 4.46,304 7.111,305 4.173,306 3.314,307 4.058,308 3.825,309 11.657,310 2.892,311 4.438,312 3.274,313 6.694,314 4.124,315 3.188,316 3.836,317 0.86,318 10.796,319 2.872,320 4.19,321 3.073,322 6.171,323 3.808,324 2.874,325 3.644,326 0.4,327 9.192,328 2.645,329 3.923,330 2.824,331 5.703,332 3.536,333 2.603,334 3.34,336 7.873,337 2.417,338 3.798,339 2.66,340 5.498,341 3.403,342 2.468,343 3.148,345 7.351,346 2.279,347 3.615,348 2.352,349 5.256,350 3.15,351 2.206,352 2.992,354 6.508,355 2.067,356 3.269,357 2.1,358 5.002,359 2.816,360 1.891,361 2.533,363 5.764,364 1.738,365 3.149,366 1.957,367 4.764,368 2.647,369 1.725,370 2.443,372 5.08,373 1.593,374 3.08,375 1.814,376 4.677,377 2.605,378 1.669,379 2.285,381 4.872,382 1.525,383 2.895,384 1.697,385 4.561,386 2.465,387 1.538,388 2.008,389 4.585,390 1.388,391 2.695,392 1.345,393 4.067,394 2.179,395 1.243,396 1.78,397 3.148,398 1.157,399 2.5,400 1.024,401 3.58,402 2,403 1,404 1.5,405 2.443,406 1,407 2.379,408 1.002,409 3.479,410 1.868,411 0.932,412 1.328,413 2.275,414 0.864,415 2.248,416 1,417 3.414,418 1.816,419 0.866,420 1.158,421 2.167,422 0.82,423 16.448,424 0.445,425 1.375,426 0.037,427 50.75,428 1.372,429 25,430 0.676,431 25.75,432 0.696,433 28.591,434 0.773,435 40.552,436 0.765,437 46.425,438 1.255,439 10.476,440 0.283,441 6.993,442 0.189,443 0.135,444 0.061,445 0.328,447 6,449 0.64,450 0.992,451 0.548,452 1.029,453 0.615,454 0.848,455 0.472,456 0.706,457 0.574,458 0.901,459 0.351,460 0.851,461 0.705,462 0.837,463 0.843,464 1.046,465 0.505,466 1.053,467 0.981,468 0.909,469 1.155,470 1.001,471 0.9,472 1.111,473 0.792,474 0.758,475 1.037,476 0.888,477 0.759,478 1.027,479 0.408,480 0.564,481 0.767,482 0.971,483 0.358,484 1.09,485 0.889,486 0.891,487 1.015,488 1.021,489 0.773,490 1.083,491 0.571,492 0.683,493 0.832,494 0.883,495 0.642,496 0.988,497 11,498 0.288,499 4.889,500 3.104,501 2.003,502 1.518,503 0.83,504 0.687,505 0.521,506 0.445,507 23805,508 101580,509 2.054,510 30.2,512 12,513 1,514 1,515 2,520 1.776,521 1.881,522 3.885,523 0.269,528 98.521,529 1.859,530 3.886,531 4.694,532 5.308,533 5.308,534 5.308,535 3.357,536 4.736,537 5.178,538 4.124,539 2746.75,540 9.084,541 46955.7,546 303.58,547 1.718,548 5.11,549 0.268,550 0.008,551 0.079,552 0.053,553 0.038,554 0.032,555 0.017,556 0.015,557 0.012,558 0.011,559 0.533,560 0.17,561 0.75,562 0.823,563 207.618,564 -0.073,565 -0.13,566 0.012,567 -0.074,568 -0.112,569 -0.004,570 0.385,571 0.29,572 0.171,573 0.053,574 0.476,575 -0.007,576 -0.032,577 -0.074,578 -0.043,579 -0.131,580 0.05,581 -0.118,582 -0.127,583 -0.043,584 -0.213,585 -0.064,586 -0.103,587 -0.137,588 -0.066,589 0.011,590 -0.068,591 0.076,592 -0.092,593 0.045,594 0.186,595 0.112,596 0.146,597 -0.015,598 0.137,599 -0.004,600 -0.115,601 -0.115,602 -0.032,603 -0.032,604 -0.076,605 0.002,606 0.241,607 0.13,608 0.143,609 0.058,610 0.098,611 0.03,612 5.832,613 4.842,614 0.703,615 49.779,616 1.058,617 1.161,618 3.738,619 13.971,620 0.683,621 3.738,622 4.143,623 4.369,624 4.615,625 4.828,626 4.977,627 5.1,628 5.263,629 5.38,630 5.537,631 9.177,632 0.705,633 518.46,634 3.738,635 5.333,636 6.188,637 7.094,638 7.967,639 8.87,640 9.749,641 10.651,642 11.534,643 12.436,644 11.3,652 3,654 3,656 2,657 11,658 3,659 1,662 8,663 1,664 27,674 1,677 1,679 53,680 27,681 2,682 41,684 57,685 24,686 21,687 5,688 7,690 5,691 6,694 2,699 2,702 21,703 3,716 6,718 16,719 11,720 2,721 13,724 2,726 6,729 0.8,730 1,739 1,744 2,745 3,748 1,766 4,770 1,772 6,774 37,781 1,782 1,786 2,794 6,795 1.9,800 1,801 19.667,802 9.99,803 7.611,804 2.88,805 5.031,806 1.574,807 1.04,808 6.186,809 13.795,810 4.016,811 4.696,812 5.293,813 5.905,814 6.422,815 6.783,816 7.215,817 7.676,818 8.027,819 8.484,820 1,821 59,822 14.567,823 7.298,824 8.491,825 24.38,826 20.04,827 2.991,828 110.667,832 164.795,833 157.754,834 87.052,836 11,837 89.761,839 157.754,840 175.795,841 176.813,842 8.396,844 94.334,845 64.456,846 172.489,847 13.915,848 141.253,849 15.519,850 164.795,851 244.806,852 100.761,855 164.795,856 100.761,858 73.146,859 121.303,860 50.357,862 254.556,863 98.052,864 157.754,867 180.314,868 30.458,869 113.677,870 34.796,871 151.117,872 164.795,873 187.813,874 157.754,876 0.61,877 0.337,878 0.166,879 0.089,880 32,881 15,882 0.088,883 5,884 1,885 1.077,886 4.726,887 359.01,888 0.077,889 26,890 179.24,894 24.82,895 9.222,896 5.313,897 1.275,898 169.128,899 14.794,900 12.061,901 2.459,904 -0.163,905 1.733,906 34.796,907 510.362,908 54.5,916 56.083,917 61.559,918 0.325,919 0.678,920 0.82,921 0.927,922 0.927,923 0.927,924 5.297,925 1.891,926 6.252,927 6.508,928 4.828,929 5.384,930 3.749,931 7.132,932 4.66,933 6.564,934 1.725,935 7.869,936 5.764,937 4.745,938 5.352,939 4.586,940 8.37,941 4.369,942 7.914,943 1.669,944 9.595,945 5.08,946 6.569,947 7.656,948 6.114,949 11.355,950 6.208,951 9.298,952 1.538,953 11.385,954 4.872,955 7.238,956 8.385,957 7.382,958 13.352,959 6.661,960 10.709,961 1.243,962 13.216,963 4.585,964 8.63,965 10.213,966 8.751,967 15.949,968 8.036,969 12.141,970 1,971 15.075,972 3.148,973 9.599,974 11.309,975 10.082,976 18.224,977 8.815,978 13.587,979 0.932,980 16.954,981 2.443,982 10.848,983 12.937,984 11.427,985 20.709,986 10.007,987 3.334,988 0.866,989 18.848,990 2.275,991 11.941,992 14.225,993 12.767,994 23.087,995 10.938,996 3.314,997 11.714,998 20.754,999 2.167,1000 13.142,1001 15.768,1002 14.11,1003 25.54,1004 12.054,1005 3.188,1006 11.657,1007 22.669,1008 4.586,1009 14.287,1010 17.157,1011 15.451,1012 27.957,1013 13.056,1014 2.874,1015 10.796,1016 24.591,1017 4.058,1018 15.474,1019 18.666,1020 16.793,1021 30.403,1022 14.142,1023 2.603,1024 9.192,1025 26.52,1026 3.836,1027 16.642,1028 20.109,1029 18.134,1030 32.837,1031 15.179,1032 2.468,1033 7.873,1034 28.452,1035 3.644,1036 17.826,1037 21.609,1038 19.476,1039 35.282,1040 16.254,1041 2.206,1042 7.351,1043 30.389,1044 3.34,1045 19.005,1046 23.081,1047 20.818,1048 37.724,1049 17.308,1050 22456,1051 46668,1052 26.641,1053 36.205,1054 64.499,1055 62.57,1056 63.997,1057 63.718,1058 63.294,1059 83.578,1060 17.821,1061 194.842,1062 57.953,1063 5.411,1064 6.461,1065 6.668,1066 5.281,1067 5.334,1068 7.586,1069 5.335,1070 18.803,1071 4.998,1072 22.93,1073 1.573,1074 1.526,1075 1.561,1076 1.554,1077 1.544,1078 2.038,1079 0.435,1080 4.752,1081 1.413,1082 4.133,1083 4.174,1084 4.105,1085 4,1086 8.517,1087 4.02,1088 3.993,1089 4.044,1090 3.969,1091 3.84,1092 8.509,1093 3.855,1094 3.918,1095 3.946,1096 3.879,1097 3.828,1098 7.999,1099 3.842,1100 3.75,1101 3.789,1102 3.716,1103 3.579,1104 7.999,1105 3.607,1106 3.478,1107 3.53,1108 3.438,1109 3.285,1110 7.999,1111 3.31,1112 3.317,1113 3.37,1114 3.311,1115 3.028,1116 7.999,1117 3.078,1118 3.248,1119 3.307,1120 3.256,1121 2.893,1122 5.092,1123 2.956,1124 3.028,1125 3.117,1126 2.886,1127 2.831,1128 4.997,1129 2.831,1130 0.113,1131 0.109,1132 0.174,1133 0.102,1134 0.081,1135 4.63,1136 0.112,1137 4.461,1138 0.093,1139 7.121,1140 0.286,1141 4.188,1142 0.073,1143 3.334,1144 4.586,1145 3.825,1146 11.714,1147 2.998,1148 1.926,1149 1.904,1150 2.009,1151 2.047,1152 1.136,1153 2.035,1154 1.904,1155 1.878,1156 1.996,1157 2.014,1158 1.097,1159 2.007,1160 1.812,1161 1.778,1162 1.898,1163 1.947,1164 0.956,1165 1.935,1166 1.502,1167 1.457,1168 1.686,1169 1.76,1170 0.754,1171 1.734,1172 1.497,1173 1.427,1174 1.602,1175 1.748,1176 0.64,1177 1.697,1178 1.287,1179 1.229,1180 1.368,1181 1.566,1182 0.394,1183 1.511,1184 1.136,1185 1.084,1186 1.311,1187 1.456,1188 0.357,1189 1.394,1190 0.989,1191 0.936,1192 1.181,1193 1.254,1194 0.218,1195 1.222,1196 4.419,1198 5.802,1199 3.045,1200 7.352,1201 5.416,1202 8.971,1203 7.535,1204 10.627,1206 1.746,1208 76.921,1213 2.993,1214 5.855,1218 -9.006,1222 37.357,1223 98.521,1224 205.977,1225 248.786,1226 281.315,1227 281.315,1228 281.315,1229 82.394,1230 8.764,1231 80.65,1232 80.65,1233 28,1234 12.96,1235 4.807,1236 3.858,1237 57.142,1238 206,1239 182,1240 0.134,1241 220.842,1242 386.99,1243 530.615,1244 95195,1245 11.3,1246 26.372,1247 0.713,1248 0.509,1249 21.372,1250 18.816,1251 17.469,1252 0.426,1253 0.26,1254 10.358,1255 16.34,1256 10.267,1257 8.401,1258 15.047,1259 10.649,1260 17.942,1261 0.289,1262 0.128,1263 14.026,1264 7.956,1265 13.736,1266 0.176,1267 0.069,1268 11.838,1269 5.399,1270 11.196,1271 0.112,1272 0.036,1273 9.944,1274 3.565,1275 8.793,1276 0.071,1277 0.019,1278 8.087,1279 2.301,1280 0.218,1281 112.888,1282 0.194,1283 34.306,1284 0.349,1285 206,1286 1013.65,1287 256.481,1288 814.754,1289 1064.34,1290 754,1291 243,1292 758.766,1293 282.163,1294 724.807,1295 1103.63,1296 680,1297 5}
{0 CHEMBL572878,1 1.625,2 12.697,3 4.445,4 19.761,5 134.268,6 7.617,7 0.459,8 4.223,9 4.36,10 3.852,11 3.746,12 5.264,13 3.713,14 4.754,15 4.955,16 4.209,17 4.106,18 5.761,19 4.045,20 4.954,21 5.18,22 4.195,23 4.222,24 5.917,25 4.121,26 5.007,27 5.26,28 4.138,29 4.196,30 5.957,31 4.072,32 4.907,33 5.156,34 4.169,35 4.155,36 5.872,37 4.06,38 4.828,39 5.024,40 4.211,41 4.193,42 5.828,43 4.088,44 4.877,45 5.098,46 4.185,47 4.188,48 5.82,49 4.069,50 4.879,51 5.109,52 4.1,53 4.188,54 5.766,55 4.061,56 0.058,57 1.019,58 13.326,59 5.246,60 8.981,61 7.112,62 0.337,63 1.582,64 26.662,65 8.349,66 28.572,67 11.98,68 0.383,69 1.783,70 34.938,71 10.824,72 36.022,73 14.782,74 0.476,75 1.767,76 39.027,77 11.848,78 54.352,79 16.633,80 0.399,81 1.668,82 35.152,83 10.423,84 44.42,85 14.572,86 0.305,87 1.694,88 33.497,89 10.442,90 33.706,91 13.463,92 0.467,93 1.725,94 36.591,95 10.82,96 34.713,97 14.386,98 0.214,99 1.664,100 32.442,101 11.143,102 27.062,103 15.27,104 10,105 52,106 0.261,107 0.597,108 0.766,109 0.828,110 0.828,111 0.828,112 3.532,113 0.976,114 -5.31,115 -5.2,116 -4.86,118 37.7,119 1,120 2,121 1,123 1,124 4,136 6,138 2,141 3,144 1,146 1,149 1,159 1,161 5,163 2,164 7,166 3,168 7,169 5,172 1,173 3,176 1,177 4,179 4,182 2,183 9,185 2,187 2,189 4,192 1,193 7,195 1,197 2,200 6,202 2,203 6,207 2,208 8,210 1,211 4,214 5,216 3,217 3,220 4,226 5,228 3,229 7,231 1,232 1,233 3,235 2,238 2224,239 22.375,240 22.375,241 22.375,242 22.375,243 22.375,244 20.203,245 36.777,246 13.122,247 23.1,248 18.315,249 18.315,250 18.315,251 18.315,252 18.315,253 14.949,254 58.816,255 6.359,256 19.516,257 4.306,258 2.217,259 1.164,260 0.779,261 0.779,262 0.779,263 4.231,267 1,268 927,269 3.317,270 72.439,271 100.105,272 349.914,279 1.967,280 24.624,283 1,284 0.67,285 1,286 1,287 1,288 1,289 1,290 0.95,291 71,292 419,293 4.296,294 4.555,295 6.219,296 3.918,297 2.984,298 3.915,299 2.95,300 9.411,301 2.913,302 4.12,303 3.735,304 6.118,305 3.897,306 2.914,307 3.699,308 1.907,309 8.907,310 2.739,311 4.076,312 3.235,313 5.696,314 3.665,315 2.721,316 3.637,317 0.8,318 7.983,319 2.57,320 3.943,321 3.028,322 5.581,323 3.594,324 2.66,325 3.172,326 0.8,327 7.678,328 2.505,329 3.693,330 2.884,331 5.379,332 3.413,333 2.481,334 2.896,335 0.4,336 7.062,337 2.291,338 3.5,339 2.628,340 5.177,341 3.162,342 2.251,343 2.761,344 0.149,345 6.512,346 2.027,347 3.32,348 2.511,349 5.019,350 3.097,351 2.176,352 2.502,354 6.016,355 1.996,356 3.23,357 2.424,358 4.854,359 2.839,360 1.918,361 2.339,363 5.566,364 1.749,365 2.999,366 2.266,367 4.523,368 2.585,369 1.643,370 2.164,372 4.641,373 1.544,374 2.827,375 1.902,376 4.241,377 2.497,378 1.485,379 1.806,381 3.873,382 1.478,383 2.525,384 1.496,385 4.212,386 2.22,387 1.296,388 1.529,389 3.71,390 1.194,391 2.5,392 1.146,393 3.414,394 2,395 1,396 1.5,397 2.275,398 1,399 2.207,400 1.035,401 3.414,402 1.967,403 1,404 1.069,405 2.275,406 0.965,407 2,408 1,409 3.274,410 1.713,411 0.73,412 1,413 1.735,414 0.716,415 1.524,416 0.772,417 3.035,418 1.145,419 0.243,420 0.294,421 0.623,422 0.213,423 15.867,424 0.481,425 0.831,426 0.025,427 42.25,428 1.28,429 19.5,430 0.591,431 22.75,432 0.689,433 29.594,434 0.897,435 35.733,436 0.586,437 31.31,438 0.949,439 7.95,440 0.241,441 8.063,442 0.244,443 0.084,445 0.334,449 0.846,450 1.424,451 0.766,452 1.035,453 0.61,454 0.965,455 0.844,456 1.167,457 0.835,458 0.974,459 0.529,460 0.932,461 1.259,462 1.066,463 1.108,464 1.013,465 1.154,466 1.008,467 1.025,468 0.973,469 0.987,470 0.99,471 1.167,472 0.955,473 1.077,474 0.918,475 0.916,476 0.826,477 1.004,478 0.76,479 1.123,480 1.263,481 1.39,482 1.299,483 0.981,484 1.1,485 0.858,486 1.033,487 1.346,488 1.267,489 0.643,490 1.09,491 0.802,492 1.164,493 1.033,494 1.101,495 0.55,496 1.055,497 8,498 0.237,499 2.5,500 2.201,501 1.293,502 1.042,503 0.754,504 0.535,505 0.315,506 0.309,507 17151,508 40945,509 2.15,510 45.9,511 4,512 17,515 3,516 4,520 1.755,521 2.041,522 3.619,523 0.892,528 99.127,529 1.625,530 3.714,531 4.766,532 5.152,533 5.152,534 5.152,535 3.068,536 4.378,537 5.01,538 3.837,539 2025.97,540 8.795,541 31258.6,546 361.775,547 1.301,548 4.989,549 0.216,550 0.007,551 0.051,552 0.047,553 0.03,554 0.022,555 0.016,556 0.012,557 0.007,558 0.008,559 0.417,560 0.17,561 0.75,562 0.467,563 176.508,564 -0.01,565 -0.188,566 0.077,567 -0.02,568 -0.007,569 0.006,570 0.139,571 -0.033,572 0.116,573 0.01,574 0.159,575 0.02,576 -0.162,577 0.003,578 -0.073,579 -0.002,580 -0.114,581 -0.049,582 0.017,583 0.004,584 0.057,585 0.025,586 -0.013,587 0.033,588 -0.045,589 0.101,590 0.152,591 0.198,592 -0.001,593 0.219,594 -0.129,595 -0.104,596 -0.135,597 -0.1,598 -0.103,599 -0.104,600 0.05,601 0.097,602 -0.104,603 -0.1,604 -0.06,605 -0.096,606 -0.062,607 -0.122,608 -0.004,609 -0.032,610 -0.02,611 -0.039,612 1.553,613 4.99,614 0.788,615 40.854,616 1.001,617 1.136,618 4.08,619 16.644,620 0.668,621 3.638,622 3.97,623 4.159,624 4.407,625 4.595,626 4.682,627 4.844,628 5.024,629 5.159,630 5.278,631 7.753,632 0.629,633 464.66,634 3.638,635 5.187,636 6.028,637 6.901,638 7.753,639 8.627,640 9.484,641 10.359,642 11.219,643 12.094,644 13.1,647 1,650 1,651 1,652 2,654 3,657 6,658 3,659 1,662 7,664 17,674 1,675 1,679 61,680 18,681 1,682 37,684 65,685 23,686 13,687 2,688 4,690 5,691 5,694 1,697 2,698 1,700 2,702 14,703 9,704 1,706 1,709 1,712 1,718 28,719 8,720 3,721 10,722 1,726 8,729 1,730 1,737 1,740 1,743 1,744 1,745 3,755 1,763 1,766 5,767 1,768 1,770 2,774 33,780 6,781 2,783 1,784 1,785 2,795 1.6,798 1,801 16.167,802 11.417,803 7.056,804 3.693,805 2.816,806 1.358,807 1.006,808 6.649,809 10.683,810 3.861,811 4.422,812 4.882,813 5.42,814 5.838,815 6.062,816 6.481,817 6.912,818 7.276,819 7.623,820 1,821 47,822 12.207,823 5.202,824 7.591,825 23.779,826 19.859,827 2.091,828 69,832 294.278,833 139.236,834 109.167,836 25.145,838 32.22,839 107.017,840 319.422,841 109.167,842 17.222,843 31.503,844 56.857,845 80.084,846 45.23,847 10.434,848 326.497,850 294.278,851 216.184,852 25.145,853 32.22,855 294.278,856 25.145,858 78.819,859 87.131,860 50.234,861 32.22,862 294.278,863 134.312,864 139.236,867 294.278,868 65.157,869 80.328,870 52.685,871 75.379,872 294.278,873 134.312,874 139.236,876 0.587,877 0.316,878 0.165,879 0.088,880 26,881 11,882 0.108,883 7,885 1,886 4.587,887 303.604,889 26,890 156.465,891 1,894 22.356,895 9.816,896 6.121,898 117.649,899 11.763,900 13.842,901 2.949,904 5.813,906 52.685,907 567.826,908 46.5,911 11.99,914 0.114,916 61.054,917 69.268,918 0.274,919 0.626,920 0.804,921 0.869,922 0.869,923 0.869,924 5.113,925 1.918,926 6.009,927 6.016,928 4.654,929 5.109,930 3.284,931 6.774,932 4.534,933 6.305,934 1.643,935 7.54,936 5.566,937 4.29,938 4.879,939 1.738,940 7.564,941 4.114,942 7.596,943 1.485,944 9.158,945 4.641,946 6.232,947 7.194,948 5.14,949 10.572,950 5.999,951 8.911,952 1.296,953 10.825,954 3.873,955 6.594,956 7.692,957 3.061,958 12.103,959 6.317,960 10.251,961 1,962 12.521,963 3.71,964 8.043,965 9.528,966 7.226,967 14.633,968 7.715,969 11.607,970 1,971 14.238,972 2.275,973 8.746,974 10.383,975 4.414,976 16.504,977 8.384,978 12.976,979 0.73,980 15.97,981 2.275,982 9.981,983 11.996,984 9.364,985 18.844,986 9.574,987 2.984,988 0.243,989 17.714,990 1.735,991 10.859,992 13.049,993 5.75,994 20.885,995 10.421,996 2.914,997 9.411,998 19.467,999 0.623,1000 11.997,1001 14.545,1002 11.518,1003 23.146,1004 11.519,1005 2.721,1006 8.907,1007 21.228,1008 3.915,1009 12.964,1010 15.712,1011 7.068,1012 25.272,1013 12.457,1014 2.66,1015 7.983,1016 22.996,1017 3.699,1018 14.058,1019 17.142,1020 13.678,1021 27.502,1022 13.516,1023 2.481,1024 7.678,1025 24.77,1026 3.637,1027 15.073,1028 18.377,1029 8.374,1030 29.673,1031 14.502,1032 2.251,1033 7.062,1034 26.549,1035 3.172,1036 16.149,1037 19.77,1038 15.84,1039 31.892,1040 15.546,1041 2.176,1042 6.512,1043 28.332,1044 2.896,1045 17.189,1046 21.046,1047 9.674,1048 34.087,1049 16.558,1050 15830,1051 24682,1052 25.255,1053 40.762,1054 55.819,1055 58.537,1056 56.152,1057 55.046,1058 55.005,1059 68.565,1060 14.012,1061 156.537,1062 51.804,1063 5.296,1064 6.555,1065 5.633,1066 5.07,1067 4.984,1068 6.915,1069 5.9,1070 15.729,1071 4.913,1072 13.885,1073 1.509,1074 1.582,1075 1.518,1076 1.488,1077 1.487,1078 1.853,1079 0.379,1080 4.231,1081 1.4,1082 4.008,1083 4.06,1084 4.088,1085 3.907,1086 7.428,1087 3.894,1088 3.935,1089 3.984,1090 3.883,1091 3.782,1092 5.054,1093 3.793,1094 3.868,1095 3.934,1096 3.827,1097 3.755,1098 4.914,1099 3.752,1100 3.83,1101 3.87,1102 3.761,1103 3.666,1104 4.72,1105 3.686,1106 3.682,1107 3.748,1108 3.619,1109 3.503,1110 4.373,1111 3.511,1112 3.208,1113 3.302,1114 3.346,1115 3.073,1116 4.212,1117 3.029,1118 3.189,1119 3.249,1120 3.037,1121 2.941,1122 4.07,1123 2.936,1124 3.111,1125 3.206,1126 3.006,1127 2.93,1128 3.92,1129 2.91,1130 0.116,1131 0.123,1132 0.168,1133 0.106,1134 0.081,1135 4.296,1136 0.106,1137 4.555,1138 0.08,1139 6.219,1140 0.254,1141 3.918,1142 0.079,1143 2.984,1144 3.915,1145 2.95,1146 9.411,1147 2.913,1148 1.896,1149 1.872,1150 1.997,1151 2.049,1152 1.29,1153 2.039,1154 1.824,1155 1.766,1156 1.971,1157 1.972,1158 1.089,1159 1.981,1160 1.662,1161 1.601,1162 1.81,1163 1.869,1164 0.897,1165 1.851,1166 1.573,1167 1.516,1168 1.744,1169 1.786,1170 0.846,1171 1.783,1172 1.392,1173 1.362,1174 1.548,1175 1.611,1176 0.825,1177 1.589,1178 1.286,1179 1.204,1180 1.533,1181 1.579,1182 0.825,1183 1.55,1184 1.153,1185 1.064,1186 1.513,1187 1.427,1188 0.803,1189 1.448,1190 1.153,1191 1.064,1192 1.513,1193 1.376,1194 0.623,1195 1.429,1196 4.317,1197 1.946,1198 5.645,1199 3.932,1200 7.146,1201 5.82,1202 8.721,1203 7.63,1204 10.336,1206 4.105,1212 5.843,1213 6.274,1215 1.502,1216 0.189,1217 4.617,1222 38.341,1223 99.127,1224 226.535,1225 290.755,1226 314.265,1227 314.265,1228 314.265,1229 48.478,1230 7.867,1231 102.07,1232 127.37,1233 26,1234 12.637,1235 4.248,1236 3.392,1237 47.709,1238 148,1239 162,1240 0.149,1241 237.562,1242 403.5,1243 571.412,1244 28604,1246 22.786,1247 0.69,1248 0.596,1249 23.139,1250 19.653,1251 16.013,1252 0.433,1253 0.325,1254 11.12,1255 14.889,1256 10.765,1257 8.913,1258 16.421,1259 12.037,1260 14.912,1261 0.287,1262 0.186,1263 15.607,1264 9.676,1265 11.612,1266 0.184,1267 0.101,1268 12.316,1269 6.345,1270 9.615,1271 0.119,1272 0.053,1273 10.408,1274 4.318,1275 7.449,1276 0.076,1277 0.031,1278 8.286,1279 2.992,1280 0.236,1281 104.552,1282 0.199,1283 31.013,1284 0.402,1285 178,1286 481.82,1287 222.991,1288 491.773,1289 682.75,1290 462,1291 207,1292 501.549,1293 245.856,1294 522.965,1295 762.14,1296 491,1297 5}
{0 CHEMBL572881,1 1.481,2 11.607,3 2.721,4 7.405,5 112.492,6 7.324,7 0.581,8 4.026,9 4.158,10 3.583,11 3.584,12 5.127,13 3.56,14 4.543,15 4.722,16 3.947,17 3.989,18 5.597,19 3.943,20 4.804,21 5.002,22 3.986,23 4.133,24 5.824,25 4.048,26 4.944,27 5.207,28 3.872,29 4.072,30 5.953,31 3.953,32 4.791,33 5.051,34 3.727,35 3.926,36 5.79,37 3.819,38 4.617,39 4.86,40 3.735,41 3.836,42 5.672,43 3.762,44 4.517,45 4.719,46 3.767,47 3.836,48 5.639,49 3.782,50 4.591,51 4.81,52 3.688,53 3.821,54 5.705,55 3.736,56 0.04,57 0.782,58 10.48,59 4.319,60 8.837,61 5.92,62 0.184,63 1.248,64 19.045,65 7.308,66 22.805,67 10.274,68 0.136,69 1.538,70 25.469,71 9.702,72 26.884,73 13.703,74 0.465,75 1.622,76 32.551,77 10.79,78 57.557,79 15.809,80 0.314,81 1.36,82 28.07,83 9.36,84 48.465,85 13.434,86 0.287,87 1.179,88 23.119,89 7.743,90 40.926,91 11.076,92 0.197,93 1.146,94 19.533,95 6.735,96 31.198,97 9.43,98 0.234,99 1.158,100 21.817,101 7.857,102 41.779,103 10.85,104 10,105 44,106 0.247,107 0.6,108 0.767,109 0.84,110 0.849,111 0.849,112 3.374,113 0.9,114 -4.02,115 -3.97,116 -3.76,118 43.1,119 2,122 1,124 2,136 7,137 3,138 2,139 3,141 1,149 1,161 9,164 5,166 2,168 8,169 9,173 3,177 8,179 5,182 1,183 4,185 2,186 2,187 4,189 7,193 3,195 1,197 1,200 6,203 4,205 1,207 6,208 7,210 1,211 5,216 4,217 5,220 4,222 1,223 1,224 2,226 6,228 1,229 2,231 1,233 1,235 8,238 1276,239 18.886,240 18.886,241 18.886,242 18.886,243 18.886,244 16.606,245 27.538,246 11.14,247 19.161,248 15.315,249 15.315,250 15.315,251 15.315,252 15.315,253 11.861,254 44.521,255 5.303,256 15.732,257 4.191,258 2.071,259 1.072,260 0.633,261 0.579,262 0.579,263 4.071,266 1,267 1,268 711,269 3.464,271 67.027,272 258.362,275 115.361,279 1.893,280 21.663,282 1,283 1,284 1,285 1,286 0.8,287 0.5,288 1,289 1,290 0.9,291 59.5,292 325,293 4.62,294 3.691,295 7.414,296 4.461,297 3.468,298 4.097,299 1.058,300 12.923,301 3.444,302 4.343,303 3.599,304 6.456,305 3.983,306 3,307 3.938,308 0.657,309 9.967,310 2.948,311 3.903,312 2.84,313 5.753,314 3.555,315 2.581,316 3.442,317 0.4,318 7.943,319 2.516,320 3.866,321 2.65,322 5.364,323 3.49,324 2.501,325 3.207,327 6.992,328 2.472,329 3.436,330 2.551,331 5.273,332 3.086,333 2.119,334 2.651,336 6.511,337 2.039,338 3.176,339 2.121,340 4.891,341 2.802,342 1.829,343 2.356,345 5.299,346 1.772,347 2.975,348 1.707,349 4.478,350 2.52,351 1.563,352 2.157,354 3.961,355 1.495,356 2.861,357 1.594,358 3.899,359 2.418,360 1.441,361 2.017,363 3.345,364 1.405,365 2.796,366 1.483,367 3.625,368 2.367,369 1.414,370 1.899,372 3.056,373 1.343,374 2.538,375 1.312,376 3.572,377 2.003,378 1.021,379 1.5,381 2.548,382 0.995,383 2.5,384 1,385 3.417,386 1.984,387 1,388 1.492,389 2.136,390 0.983,391 1.885,392 0.886,393 3.247,394 1.658,395 0.703,396 0.809,397 1.687,398 0.67,399 1.849,400 0.805,401 3.076,402 1.554,403 0.618,404 0.736,405 1.424,406 0.577,407 1.242,408 0.515,409 2.836,410 0.914,411 -0.066,412 -0.081,413 -0.176,414 -0.064,415 1.019,416 -0.033,417 2.601,418 0.638,419 -0.337,420 -0.424,421 -0.809,422 -0.327,423 13.333,424 0.476,425 0.731,426 0.026,427 39.25,428 1.402,429 21,430 0.75,431 18.25,432 0.652,433 21.429,434 0.765,435 29.267,436 0.574,437 28.421,438 1.015,439 7.608,440 0.272,441 5.919,442 0.211,443 0.1,444 0.038,445 0.263,449 0.851,450 1.272,451 0.813,452 1.011,453 0.646,454 0.917,455 0.772,456 1.068,457 0.839,458 0.937,459 0.592,460 0.896,461 0.956,462 1.36,463 1.083,464 1.279,465 0.876,466 1.21,467 0.96,468 0.914,469 1.017,470 0.985,471 0.922,472 1.001,473 1.313,474 0.914,475 0.994,476 0.919,477 1.495,478 0.922,479 1.279,480 0.903,481 0.859,482 0.788,483 1.47,484 0.78,485 1.338,486 1.044,487 1.029,488 0.992,489 1.323,490 0.969,491 1.328,492 1.077,493 1.05,494 1.104,495 1.683,496 1.067,497 6,498 0.119,499 3.556,500 2.264,501 1.062,502 0.934,503 0.409,504 0.395,505 0.302,506 0.217,507 10560,508 24984,509 2.106,510 45.1,511 6,512 11,514 3,515 3,520 1.709,521 1.988,522 3.504,523 0.882,524 1,525 1,528 75.535,529 1.481,530 3.602,531 4.6,532 5.04,533 5.094,534 5.094,535 2.968,536 4.45,537 4.779,538 3.68,539 1391.12,540 8.303,541 18665.1,543 1,545 1,546 289.294,547 1.454,548 4.74,549 0.194,550 0.006,551 0.081,552 0.053,553 0.029,554 0.029,555 0.012,556 0.011,557 0.01,558 0.009,559 0.433,560 0.33,561 1,562 0.517,563 141.664,564 -0.068,565 -0.095,566 0.042,567 0.008,568 -0.06,569 0.035,570 0.08,571 0.044,572 0.066,573 0.06,574 0.081,575 0.062,576 -0.069,577 -0.317,578 -0.158,579 -0.282,580 -0.038,581 -0.24,582 0.141,583 0.055,584 -0.004,585 -0.034,586 0.123,587 -0.035,588 -0.083,589 0.026,590 0.028,591 0.046,592 -0.089,593 0.051,594 -0.018,595 0.067,596 0.152,597 0.182,598 -0.012,599 0.187,600 -0.122,601 0.028,602 -0.067,603 -0.031,604 -0.076,605 -0.035,606 -0.028,607 -0.099,608 -0.062,609 -0.12,610 -0.054,611 -0.103,612 1.859,613 5.852,614 0.75,615 26.827,616 0.996,617 1.126,618 2.789,619 7.781,620 0.673,621 3.466,622 3.807,623 4.06,624 4.304,625 4.466,626 4.477,627 4.605,628 4.71,629 4.754,630 4.787,631 6.9,632 0.638,633 373.5,634 3.466,635 5.017,636 5.866,637 6.751,638 7.615,639 8.505,640 9.376,641 10.268,642 11.143,643 12.038,644 9.8,649 2,651 1,654 2,657 10,658 2,662 6,664 18,670 1,674 2,679 51,680 19,681 1,682 31,684 54,685 22,686 16,687 3,688 3,689 1,690 4,691 5,694 2,695 1,696 1,702 17,703 5,706 1,709 1,712 1,715 1,718 23,719 6,720 3,721 6,726 5,729 0.75,730 1,739 2,744 1,745 3,748 1,766 3,770 2,774 28,780 2,781 3,786 1,795 2,798 1,801 14.083,802 9.65,803 6.042,804 2.931,805 3.416,806 1.45,807 0.993,808 5.014,809 11.011,810 3.738,811 4.324,812 4.866,813 5.389,814 5.86,815 5.928,816 6.235,817 6.524,818 6.781,819 7.063,820 0.875,821 43,822 10.338,823 4.394,824 7.658,825 19.865,826 16.412,827 2.158,828 60.417,831 1,832 235.422,833 137.441,834 87.603,836 25.145,839 137.441,840 260.567,841 87.603,842 17.65,843 22.222,844 66.334,845 134.755,846 42.212,847 2.328,848 200.109,850 235.422,851 225.044,852 25.145,855 235.422,856 25.145,858 67.015,859 88.437,860 69.593,862 235.422,863 112.748,864 137.441,867 235.422,868 26.314,869 111.126,870 54.032,871 58.716,872 235.422,873 112.748,874 137.441,876 0.587,877 0.339,878 0.18,879 0.092,880 22,881 9,882 0.093,883 5,884 1,885 1.095,886 4.038,887 241.147,888 0.095,889 21,890 128.606,894 18.454,895 7.608,896 4.026,898 112.748,899 18.561,900 8.347,904 5.233,906 54.032,907 485.611,908 41,911 12.852,914 -0.192,916 50.789,917 57.438,918 0.261,919 0.635,920 0.811,921 0.888,922 0.898,923 0.898,924 4.98,925 1.441,926 5.878,927 3.961,928 4.489,929 5.011,930 1.487,931 6.725,932 4.441,933 6.194,934 1.414,935 7.465,936 3.345,937 4.205,938 4.771,940 7.921,941 4.177,942 7.51,943 1.021,944 9.169,945 3.056,946 6.159,947 7.165,948 1.369,949 10.969,950 6.084,951 8.864,952 1,953 10.948,954 2.548,955 6.723,956 7.711,958 13.033,959 6.67,960 10.251,961 0.703,962 12.779,963 2.136,964 8.182,965 9.599,966 1.381,967 15.695,968 8.095,969 11.662,970 0.618,971 14.647,972 1.687,973 9.119,974 10.524,976 18.071,977 9.047,978 13.093,979 -0.066,980 16.542,981 1.424,982 10.406,983 12.18,984 1.439,985 20.641,986 10.313,987 3.468,988 -0.337,989 18.458,990 -0.176,991 11.507,992 13.308,994 23.128,995 11.419,996 3,997 12.923,998 20.39,999 -0.809,1000 12.74,1001 14.843,1002 1.516,1003 25.679,1004 12.641,1005 2.581,1006 9.967,1007 22.335,1008 4.097,1009 13.911,1010 16.084,1012 28.207,1013 13.812,1014 2.501,1015 7.943,1016 24.291,1017 3.938,1018 15.133,1019 17.554,1020 1.602,1021 30.757,1022 15.025,1023 2.119,1024 6.992,1025 26.255,1026 3.442,1027 16.336,1028 18.86,1030 33.302,1031 16.225,1032 1.829,1033 6.511,1034 28.226,1035 3.207,1036 17.558,1037 20.295,1038 1.691,1039 35.854,1040 17.442,1041 1.563,1042 5.299,1043 30.202,1044 2.651,1045 18.777,1046 21.638,1048 38.406,1049 18.656,1050 9927,1051 15428,1052 20.86,1053 34.336,1054 47.109,1055 47.944,1056 47.121,1057 46.435,1058 46.516,1059 60.603,1060 4.231,1061 135.583,1062 45.316,1063 5.501,1064 5.691,1065 7.216,1066 5.503,1067 5.468,1068 7.097,1069 2.117,1070 20.548,1071 5.444,1072 11.85,1073 1.52,1074 1.547,1075 1.52,1076 1.498,1077 1.501,1078 1.955,1079 0.136,1080 4.374,1081 1.462,1082 4.048,1083 4.084,1084 3.994,1085 3.963,1086 7.429,1087 3.966,1088 3.93,1089 3.972,1090 3.877,1091 3.818,1092 4.925,1093 3.827,1094 3.836,1095 3.875,1096 3.779,1097 3.734,1098 4.853,1099 3.74,1100 3.571,1101 3.63,1102 3.466,1103 3.445,1104 4.784,1105 3.439,1106 3.25,1107 3.342,1108 3.165,1109 3.043,1110 4.258,1111 3.061,1112 3.243,1113 3.289,1114 3.116,1115 2.986,1116 4.12,1117 3.015,1118 3.091,1119 3.186,1120 2.917,1121 2.868,1122 3.894,1123 2.868,1124 2.874,1125 3.009,1126 2.687,1127 2.735,1128 3.826,1129 2.715,1130 0.149,1131 0.119,1132 0.239,1133 0.144,1134 0.112,1135 4.62,1136 0.132,1137 3.691,1138 0.034,1139 7.414,1140 0.417,1141 4.461,1142 0.111,1143 3.468,1144 4.097,1145 1.058,1146 12.923,1147 3.444,1148 1.925,1149 1.899,1150 2.028,1151 2.044,1152 1.272,1153 2.036,1154 1.876,1155 1.84,1156 1.993,1157 1.989,1158 1.107,1159 1.995,1160 1.804,1161 1.771,1162 1.914,1163 1.925,1164 1.022,1165 1.925,1166 1.641,1167 1.581,1168 1.851,1169 1.82,1170 0.948,1171 1.837,1172 1.208,1173 1.146,1174 1.463,1175 1.483,1176 0.548,1177 1.476,1178 1.177,1179 1.104,1180 1.417,1181 1.464,1182 0.537,1183 1.446,1184 1.049,1185 0.969,1186 1.415,1187 1.316,1188 0.469,1189 1.325,1190 0.934,1191 0.821,1192 1.282,1193 1.239,1194 0.286,1195 1.308,1196 4.143,1198 5.476,1199 2.398,1200 7.004,1201 4.844,1202 8.616,1203 7.018,1204 10.272,1206 4.418,1212 1.461,1213 9.634,1218 0.102,1222 32.563,1223 75.535,1224 183.694,1225 234.623,1226 257.029,1227 259.784,1228 259.784,1229 43.47,1230 7.595,1231 78.94,1232 78.94,1233 23,1234 12.568,1235 4.322,1236 3.459,1237 42.516,1238 115,1239 114,1240 0.176,1241 200.922,1242 344.41,1243 482.01,1244 22969,1246 19.562,1247 0.699,1248 0.571,1249 19.562,1250 15.99,1251 13.527,1252 0.436,1253 0.3,1254 9.2,1255 13.12,1256 8.896,1257 7.437,1258 13.527,1259 9.304,1260 12.576,1261 0.286,1262 0.172,1263 12.576,1264 7.561,1265 10.329,1266 0.181,1267 0.088,1268 10.329,1269 4.989,1270 8.636,1271 0.118,1272 0.046,1273 8.636,1274 3.384,1275 6.678,1276 0.078,1277 0.025,1278 6.678,1279 2.174,1280 0.28,1281 84.009,1282 0.219,1283 26.964,1284 0.475,1285 150,1286 388.024,1287 160.874,1288 385.928,1289 535.3,1290 362,1291 176,1292 399.848,1293 187.319,1294 411.351,1295 596.84,1296 386,1297 5}
{0 CHEMBL573339,1 1.643,2 8.038,3 2.634,4 6.936,5 93.122,6 8.295,7 0.7,8 3.901,9 3.993,10 3.57,11 3.427,12 5.053,13 3.451,14 4.429,15 4.567,16 3.953,17 3.814,18 5.57,19 3.831,20 4.632,21 4.81,22 4.004,23 3.906,24 5.74,25 3.897,26 4.601,27 4.8,28 3.93,29 3.856,30 5.661,31 3.843,32 4.552,33 4.727,34 3.948,35 3.85,36 5.691,37 3.845,38 4.563,39 4.716,40 3.948,41 3.915,42 5.647,43 3.901,44 4.608,45 4.774,46 3.86,47 3.933,48 5.677,49 3.88,50 4.659,51 4.872,52 3.658,53 3.843,54 5.7,55 3.738,56 0.093,57 0.64,58 7.051,59 3.599,60 8.919,61 4.003,62 0.347,63 1.055,64 14.419,65 5.833,66 21.708,67 6.641,68 0.537,69 1.241,70 20.054,71 7.233,72 35.14,73 8.985,74 0.401,75 1.234,76 19.844,77 6.951,78 33.285,79 8.821,80 0.525,81 1.162,82 18.373,83 6.593,84 41.881,85 7.998,86 0.434,87 1.193,88 16.823,89 6.549,90 25.389,91 7.574,92 0.383,93 1.212,94 17.722,95 7.482,96 25.34,97 8.996,98 0.443,99 1.167,100 21.923,101 8.885,102 39.839,103 11.593,104 2,105 43,106 0.282,107 0.649,108 0.781,109 0.845,110 0.845,111 0.845,112 3.306,113 0.847,114 -3.61,115 -3.59,116 -3.42,118 45.2,124 4,136 6,137 2,138 1,139 1,140 1,141 1,143 1,146 1,152 1,161 6,163 3,164 6,168 2,169 5,172 4,173 7,177 2,179 2,182 2,183 7,187 1,189 1,192 3,193 7,195 2,200 3,202 1,203 6,208 4,210 1,211 6,214 1,216 1,217 4,219 1,220 5,222 1,224 1,226 2,229 3,231 1,233 1,235 1,238 888,239 18.154,240 18.154,241 18.154,242 18.154,243 18.154,244 15.811,245 12.611,246 10.787,247 18.623,248 14.885,249 14.885,250 14.885,251 14.885,252 14.885,253 11.295,254 16.024,255 5.188,256 15.653,257 3.749,258 1.617,259 0.845,260 0.476,261 0.476,262 0.476,263 4.024,265 1,266 1,267 1,268 471,269 2.121,271 37.097,272 226.299,275 148.493,279 1.047,280 26.381,282 1,283 1,284 1,285 1,286 0.8,287 0.5,288 1,289 1,290 0.9,291 57,292 209,293 4.779,294 3.38,295 6.937,296 4.289,297 3.319,298 4.866,299 0.86,300 11.762,301 3.224,302 4.245,303 2.973,304 6.306,305 3.825,306 2.855,307 3.917,308 0.8,309 9.524,310 2.772,311 4.042,312 2.874,313 6.123,314 3.688,315 2.742,316 3.615,318 8.995,319 2.588,320 3.625,321 2.476,322 5.454,323 3.215,324 2.274,325 3.018,327 6.72,328 2.133,329 3.454,330 2.321,331 5.054,332 3.044,333 2.088,334 2.819,336 6.043,337 1.989,338 3.187,339 2.042,340 4.929,341 2.762,342 1.82,343 2.402,345 5.376,346 1.716,347 2.947,348 1.735,349 4.335,350 2.505,351 1.552,352 2.101,354 4.001,355 1.474,356 2.842,357 1.504,358 4.161,359 2.343,360 1.387,361 1.998,363 3.558,364 1.325,365 2.648,366 1.389,367 3.613,368 2.246,369 1.31,370 1.697,372 2.914,373 1.214,374 2.588,375 1.256,376 3.559,377 2.081,378 1.098,379 1.631,381 2.567,382 1.077,383 2.28,384 1.114,385 3.475,386 1.952,387 1,388 1.243,389 2.531,390 0.946,391 2,392 1.083,393 3.267,394 1.91,395 1,396 1,397 2.136,398 0.905,399 1.891,400 0.508,401 3.247,402 1.417,403 0.463,404 0.653,405 1.239,406 0.441,407 1.063,408 -0.057,409 2.736,410 0.606,411 -0.341,412 -0.451,413 -0.846,414 -0.32,415 0.928,416 -0.263,417 2.639,418 0.516,419 -0.41,420 -0.511,421 -1.005,422 -0.375,423 12.1,424 0.465,425 0.551,426 0.021,427 37.5,428 1.442,429 19,430 0.731,431 18.5,432 0.712,433 18.299,434 0.704,435 26.9,436 0.64,437 26.764,438 1.029,439 7.429,440 0.286,441 5.364,442 0.206,443 0.028,445 0.364,449 0.922,450 1.35,451 0.676,452 1.072,453 0.905,454 0.87,455 1.093,456 1.048,457 0.844,458 0.911,459 0.749,460 0.837,461 0.976,462 1.101,463 0.887,464 0.911,465 0.902,466 0.887,467 0.969,468 1.061,469 0.88,470 0.907,471 0.895,472 0.865,473 1.024,474 0.911,475 0.9,476 0.803,477 0.84,478 0.818,479 1.093,480 1.093,481 1.101,482 1.006,483 0.857,484 1.026,485 0.915,486 1.086,487 1.219,488 1.237,489 0.897,490 1.274,491 0.695,492 1.052,493 1.128,494 1.309,495 0.846,496 1.315,497 4,498 0.025,499 2.667,500 1.701,501 1.275,502 1.146,503 0.554,504 0.259,505 0.228,506 0.089,507 7600,508 20994,509 2.241,510 38.1,512 14,514 1,515 1,520 1.7,521 2.167,522 3.032,523 -0.294,524 1,525 1,526 1,528 69.012,529 1.643,530 3.775,531 4.547,532 4.916,533 4.916,534 4.916,535 2.286,536 4.393,537 4.672,538 3.169,539 1029.87,540 8.147,541 12408.6,542 1,543 1,545 1,546 226.477,547 1.142,548 4.66,549 0.133,550 0.006,551 0.062,552 0.039,553 0.031,554 0.027,555 0.013,556 0.007,557 0.008,558 0.006,559 0.333,560 0.5,561 0.88,562 0.362,563 123.326,564 -0.092,565 -0.256,566 0.06,567 -0.095,568 -0.107,569 -0.008,570 -0.074,571 0.035,572 0.009,573 0.029,574 0.006,575 0.033,576 0.036,577 -0.071,578 0.055,579 0.036,580 0.017,581 0.04,582 -0.081,583 -0.012,584 0.072,585 0.029,586 -0.044,587 0.077,588 0.008,589 0.144,590 0.031,591 0.134,592 0.059,593 0.091,594 -0.143,595 -0.013,596 -0.239,597 -0.069,598 -0.128,599 -0.143,600 -0.079,601 -0.052,602 -0.349,603 -0.269,604 -0.127,605 -0.342,606 0.116,607 -0.146,608 -0.138,609 -0.288,610 0.081,611 -0.268,612 1.488,613 3.826,614 0.962,615 19.935,616 1.016,617 1.122,618 2.385,619 5.688,620 0.689,621 3.434,622 3.784,623 4.127,624 4.477,625 4.796,626 4.956,627 5.215,628 5.425,629 5.525,630 5.624,631 5.249,632 0.676,633 348.39,634 3.434,635 4.99,636 5.872,637 6.777,638 7.681,639 8.597,640 9.513,641 10.436,642 11.359,643 12.285,644 9.5,650 1,654 3,656 4,657 7,658 3,660 1,662 4,664 21,675 1,676 1,679 42,680 21,681 1,682 30,684 46,685 19,686 15,687 2,688 4,690 5,691 8,702 15,703 4,714 1,715 1,717 1,718 16,719 7,720 1,721 7,726 4,729 0.6,730 3,739 1,740 1,744 1,745 4,748 2,765 1,766 3,774 26,779 1,780 4,782 1,785 1,795 7.1,797 1,799 1,800 1,801 12,802 7.667,803 5.583,804 2.54,805 4.165,806 1.525,807 1.024,808 3.731,809 12.103,810 3.726,811 4.404,812 5.11,813 5.829,814 6.501,815 6.989,816 7.581,817 8.135,818 8.52,819 8.952,820 0.667,821 44,822 9.597,823 4.213,824 7.705,825 18.329,826 15.436,827 2.205,828 57.333,831 1,832 176.567,833 101.103,834 53.481,836 63.191,839 101.103,840 239.757,841 53.481,843 13.396,844 56.857,845 120.218,846 31.91,847 7.164,848 164.795,850 176.567,851 154.584,852 63.191,855 178.894,856 52.191,857 11,858 28.995,859 72.904,860 50.357,862 176.567,863 116.671,864 101.103,867 176.567,868 35.198,869 69.029,871 113.547,872 176.567,873 116.671,874 101.103,876 0.582,877 0.345,878 0.202,879 0.119,880 24,881 9,882 0.043,883 2,884 2,885 1.16,886 3.774,887 242.994,888 0.16,889 25,890 118.211,894 15.558,895 6.236,896 2.713,897 2.743,898 116.671,899 12.445,900 13.778,902 5.983,904 2.202,906 42.683,907 394.341,908 40.5,916 42.691,917 47.113,918 0.305,919 0.7,920 0.843,921 0.912,922 0.912,923 0.912,924 4.965,925 1.387,926 5.855,927 4.001,928 4.466,929 5.091,930 1.235,931 6.708,932 4.375,933 6.186,934 1.31,935 7.428,936 3.558,937 4.007,938 4.956,939 0.325,940 7.662,941 3.886,942 7.511,943 1.098,944 9.106,945 2.914,946 6.084,947 7.419,948 0.938,949 10.832,950 5.921,951 8.878,952 1,953 10.848,954 2.567,955 6.494,956 8.187,957 0.268,958 12.661,959 6.309,960 10.283,961 1,962 12.631,963 2.531,964 8.017,965 10.102,966 0.732,967 15.339,968 7.795,969 11.716,970 0.463,971 14.444,972 2.136,973 8.838,974 11.302,975 0.188,976 17.525,977 8.596,978 13.171,979 -0.341,980 16.277,981 1.239,982 10.137,983 12.998,984 0.57,985 20.041,986 9.862,987 3.319,988 -0.41,989 18.127,990 -0.846,991 11.151,992 14.404,993 0.125,994 22.378,995 10.856,996 2.855,997 11.762,998 19.988,999 -1.005,1000 12.365,1001 16.016,1002 0.438,1003 24.844,1004 12.04,1005 2.742,1006 9.524,1007 21.86,1008 4.866,1009 13.469,1010 17.517,1011 0.082,1012 27.245,1013 13.12,1014 2.274,1015 8.995,1016 23.74,1017 3.917,1018 14.654,1019 19.101,1020 0.334,1021 29.699,1022 14.278,1023 2.088,1024 6.72,1025 25.627,1026 3.615,1027 15.8,1028 20.643,1029 0.054,1030 32.13,1031 15.399,1032 1.82,1033 6.043,1034 27.519,1035 3.018,1036 16.98,1037 22.22,1038 0.252,1039 34.584,1040 16.552,1041 1.552,1042 5.376,1043 29.416,1044 2.819,1045 18.146,1046 23.782,1047 0.035,1048 37.03,1049 17.693,1050 6991,1051 11755,1052 20.978,1053 28.955,1054 45.956,1055 46.037,1056 46.388,1057 45.857,1058 45.817,1059 61.92,1060 3.32,1061 134.731,1062 43.605,1063 5.779,1064 5.38,1065 6.739,1066 5.393,1067 5.319,1068 7.866,1069 1.72,1070 19.31,1071 5.224,1072 6.541,1073 1.532,1074 1.535,1075 1.546,1076 1.529,1077 1.527,1078 2.064,1079 0.111,1080 4.491,1081 1.454,1082 4.183,1083 4.2,1084 4.171,1085 4.047,1086 6.471,1087 4.074,1088 3.894,1089 3.916,1090 3.843,1091 3.821,1092 5.281,1093 3.823,1094 3.768,1095 3.822,1096 3.671,1097 3.567,1098 4.814,1099 3.585,1100 3.535,1101 3.58,1102 3.462,1103 3.369,1104 4.617,1105 3.385,1106 3.114,1107 3.206,1108 3.063,1109 2.946,1110 4.538,1111 2.966,1112 3.111,1113 3.135,1114 2.866,1115 2.941,1116 4.324,1117 2.91,1118 2.94,1119 2.992,1120 2.863,1121 2.746,1122 4.032,1123 2.75,1124 2.922,1125 2.967,1126 2.804,1127 2.714,1128 3.806,1129 2.735,1130 0.159,1131 0.113,1132 0.231,1133 0.143,1134 0.111,1135 4.779,1136 0.162,1137 3.38,1138 0.029,1139 6.937,1140 0.392,1141 4.289,1142 0.107,1143 3.319,1144 4.866,1145 0.86,1146 11.762,1147 3.224,1148 1.956,1149 1.93,1150 2.025,1151 2.081,1152 1.218,1153 2.062,1154 1.848,1155 1.824,1156 1.942,1157 1.975,1158 1.097,1159 1.957,1160 1.749,1161 1.71,1162 1.917,1163 1.942,1164 1.026,1165 1.943,1166 1.545,1167 1.509,1168 1.646,1169 1.771,1170 0.825,1171 1.738,1172 1.153,1173 1.064,1174 1.513,1175 1.376,1176 0.698,1177 1.429,1178 0.998,1179 0.981,1180 1.154,1181 1.235,1182 0.259,1183 1.195,1184 0.942,1185 0.906,1186 1.125,1187 1.14,1188 0.237,1189 1.131,1190 0.883,1191 0.838,1192 1.103,1193 1.114,1194 0.139,1195 1.101,1196 4.111,1198 5.451,1199 2.398,1200 7.002,1201 4.844,1202 8.648,1203 7.066,1204 10.344,1211 9.826,1212 2.753,1214 5.462,1217 2.141,1222 28.391,1223 69.012,1224 158.561,1225 190.968,1226 206.477,1227 206.477,1228 206.477,1229 32.97,1230 7.938,1231 84.51,1232 84.51,1233 29,1234 12.791,1235 4.459,1236 3.524,1237 33.517,1238 83,1239 75,1240 0.205,1241 168.877,1242 278.47,1243 403.821,1244 28842,1246 17.51,1247 0.673,1248 0.535,1249 17.51,1250 13.922,1251 12.793,1252 0.426,1253 0.282,1254 8.311,1255 12.185,1256 8.209,1257 6.7,1258 12.793,1259 8.468,1260 11.597,1261 0.27,1262 0.143,1263 11.597,1264 6.156,1265 10.241,1266 0.168,1267 0.074,1268 10.241,1269 4.488,1270 9.145,1271 0.105,1272 0.037,1273 9.145,1274 3.228,1275 7.995,1276 0.067,1277 0.019,1278 7.995,1279 2.254,1280 0.306,1281 80.996,1282 0.218,1283 24.334,1284 0.613,1285 146,1286 450.201,1287 163.654,1288 427.285,1289 598.74,1290 404,1291 177,1292 455.855,1293 196.404,1294 455.624,1295 681.09,1296 431,1297 5}
{0 CHEMBL574738,1 1.737,2 17.421,3 4.513,4 20.37,5 141.564,6 7.789,7 0.439,8 4.326,9 4.457,10 3.911,11 3.768,12 5.463,13 3.782,14 4.887,15 5.079,16 4.318,17 4.137,18 6.358,19 4.135,20 5.094,21 5.307,22 4.297,23 4.305,24 6.174,25 4.264,26 5.208,27 5.442,28 4.301,29 4.321,30 6.33,31 4.256,32 5.246,33 5.511,34 4.289,35 4.258,36 6.458,37 4.203,38 5.069,39 5.294,40 4.205,41 4.184,42 6.242,43 4.15,44 5.071,45 5.299,46 4.255,47 4.121,48 6.562,49 4.093,50 4.978,51 5.224,52 4.019,53 4.011,54 6.218,55 3.971,56 0.176,57 1.234,58 13.199,59 5.62,60 23.129,61 7.372,62 1.167,63 2.182,64 28.269,65 9.026,66 151.997,67 12.315,68 0.725,69 2.117,70 35.087,71 11.784,72 62.487,73 16.266,74 0.866,75 2.327,76 41.627,77 14.262,78 92.131,79 19.458,80 1.48,81 2.318,82 47.733,83 13.322,84 145.555,85 18.829,86 0.918,87 2.16,88 36.82,89 11.876,90 115.325,91 15.218,92 1.561,93 2.233,94 38.593,95 11.753,96 231.729,97 14.917,98 1.258,99 1.928,100 36.067,101 10.065,102 132.792,103 12.838,104 46,105 57,106 0.274,107 0.592,108 0.742,109 0.819,110 0.848,111 0.853,112 3.667,113 0.895,114 -4.94,115 -4.85,116 -4.54,118 38.2,119 1,123 1,124 6,129 1,136 8,137 2,138 3,141 2,142 1,150 1,161 6,163 2,164 7,166 3,167 1,168 5,169 6,172 1,173 4,177 4,179 4,182 1,183 8,185 2,187 5,189 2,193 8,195 1,197 4,200 2,203 5,205 1,207 3,208 4,210 1,211 4,214 2,216 3,217 9,219 1,222 1,226 8,228 1,229 3,231 3,232 1,233 1,235 4,238 3096,239 25.347,240 25.347,241 25.347,242 25.347,243 25.347,244 23.06,245 41.64,246 14.877,247 26.304,248 20.159,249 20.159,250 20.159,251 20.159,252 20.159,253 16.613,254 62.867,255 7,256 21.699,257 4.35,258 2.334,259 1.386,260 0.897,261 0.71,262 0.68,263 4.36,267 1,268 1412,269 4.416,272 608.584,279 2.729,280 56.162,283 0.75,284 0.67,285 0.83,286 0.9,287 1,288 0.83,289 1,290 0.85,291 86,292 662,293 4.561,294 4.472,295 7.254,296 4.275,297 3.388,298 4.067,299 3.825,300 12.281,301 3.062,302 4.14,303 3.562,304 5.74,305 3.721,306 2.784,307 3.737,308 1.656,309 8.044,310 2.623,311 4.012,312 3.092,313 5.697,314 3.617,315 2.697,316 3.587,317 0.916,318 7.964,319 2.491,320 3.865,321 3.075,322 5.562,323 3.594,324 2.659,325 3.156,326 0.86,327 7.619,328 2.442,329 3.715,330 2.809,331 5.437,332 3.474,333 2.53,334 2.903,335 0.8,336 7.218,337 2.372,338 3.6,339 2.672,340 5.335,341 3.299,342 2.367,343 2.773,344 0.4,345 6.87,346 2.162,347 3.454,348 2.53,349 5.2,350 3.165,351 2.232,352 2.597,353 0.247,354 6.562,355 2.078,356 3.305,357 2.43,358 5.027,359 2.952,360 2.02,361 2.506,362 0.172,363 5.933,364 1.869,365 3.169,366 2.206,367 4.816,368 2.819,369 1.887,370 2.354,372 5.429,373 1.747,374 3.034,375 2.06,376 4.577,377 2.689,378 1.709,379 2.069,381 4.788,382 1.655,383 2.675,384 1.38,385 4.103,386 2.124,387 1.211,388 1.754,389 3.204,390 1.103,391 2.582,392 1.281,393 3.497,394 2.118,395 1.156,396 1.615,397 2.634,398 1.094,399 2.5,400 1.146,401 3.414,402 2,403 1,404 1.5,405 2.275,406 1,407 2,408 1,409 3.414,410 1.967,411 1,412 1,413 2.275,414 0.965,415 1.682,416 0.859,417 3.166,418 1.591,419 0.624,420 0.643,421 1.238,422 0.601,423 17.324,424 0.456,425 1.03,426 0.027,427 47.5,428 1.25,429 21.5,430 0.566,431 26,432 0.684,433 34.09,434 0.897,435 43.276,436 0.636,437 42.485,438 1.118,439 9.766,440 0.257,441 8.462,442 0.223,443 0.126,444 0.029,445 0.277,447 3,449 0.688,450 1.291,451 0.725,452 1.233,453 0.58,454 1.035,455 0.575,456 0.807,457 0.789,458 0.917,459 0.354,460 0.904,461 0.818,462 0.936,463 0.947,464 1.056,465 0.582,466 1.037,467 0.811,468 1.118,469 0.907,470 1.206,471 0.771,472 1.123,473 1.006,474 0.839,475 0.9,476 0.82,477 1.163,478 0.83,479 1.22,480 1.147,481 1.04,482 1.036,483 1.267,484 0.997,485 1.171,486 1.257,487 1.047,488 1.061,489 1.38,490 1.032,491 1.496,492 1.056,493 1.243,494 0.869,495 1.716,496 0.951,497 10,498 0.223,499 3.333,500 2.563,501 2.258,502 1.354,503 1.153,504 0.5,505 0.608,506 0.365,507 25853,508 77109,509 2.031,510 44.1,512 23,514 1,515 3,517 3,520 1.783,521 1.892,522 4.02,523 0.843,528 118.123,529 1.737,530 3.754,531 4.702,532 5.19,533 5.378,534 5.407,535 3.527,536 4.774,537 5.215,538 4.231,539 2974.12,540 9.16,541 53167,546 413.947,547 1.538,548 5.168,549 0.244,550 0.006,551 0.058,552 0.045,553 0.042,554 0.026,555 0.023,556 0.01,557 0.015,558 0.009,559 0.478,560 0.17,561 0.88,562 0.848,563 216.585,564 -0.064,565 -0.229,566 0.039,567 -0.12,568 -0.075,569 -0.03,570 0.32,571 0.252,572 0.111,573 0.081,574 0.427,575 0.047,576 -0.095,577 -0.071,578 -0.059,579 -0.052,580 0.003,581 -0.04,582 0.013,583 -0.206,584 0.036,585 -0.179,586 0.025,587 -0.093,588 0.051,589 0.131,590 0.135,591 0.146,592 -0.023,593 0.16,594 -0.161,595 -0.104,596 -0.058,597 -0.018,598 -0.154,599 -0.007,600 0.178,601 0.014,602 0.006,603 -0.032,604 0.156,605 -0.061,606 -0.161,607 0.177,608 -0.18,609 0.115,610 -0.251,611 -0.002,612 5.789,613 5.842,614 0.632,615 55.679,616 1.02,617 1.152,618 3.712,619 13.776,620 0.642,621 3.738,622 4.06,623 4.248,624 4.477,625 4.7,626 4.71,627 4.844,628 4.883,629 5.017,630 5.063,631 9.769,632 0.626,633 529.63,634 3.738,635 5.283,636 6.107,637 6.978,638 7.818,639 8.69,640 9.538,641 10.41,642 11.263,643 12.135,644 10.3,647 2,649 1,651 2,654 2,657 9,658 2,662 7,664 18,674 1,677 1,679 68,680 19,681 2,682 41,684 71,685 26,686 16,687 5,688 7,690 4,691 4,693 1,694 2,699 1,702 17,703 9,706 1,709 1,712 1,716 3,718 30,719 12,720 3,721 12,726 7,729 1,730 2,740 1,745 4,763 2,766 4,770 2,772 3,774 38,780 6,781 3,782 1,785 2,786 1,794 3,795 2.9,798 1,800 1,801 20.083,802 12.562,803 8.361,804 4.045,805 3.2,806 1.394,807 0.975,808 9.182,809 11.314,810 3.951,811 4.494,812 4.954,813 5.474,814 5.978,815 6.063,816 6.394,817 6.635,818 6.922,819 7.211,820 0.917,821 57,822 14.605,823 6.626,824 8.068,825 26.208,826 20.954,827 2.568,828 97.583,832 317.82,833 150.59,834 93.852,836 36.145,837 44.88,839 150.59,840 353.965,841 138.732,842 17.222,843 48.656,844 75.81,845 88.498,846 87.876,847 11.418,848 306.049,849 7.76,850 317.82,851 244.442,852 81.025,855 282.506,856 116.338,858 80.108,859 112.753,860 51.582,862 362.7,863 129.997,864 150.59,867 325.579,868 41.181,869 107.899,870 54.032,871 114.596,872 317.82,873 174.877,874 150.59,876 0.581,877 0.324,878 0.168,879 0.095,880 25,881 12,882 0.113,883 8,885 1,886 4.884,887 349.587,889 24,890 186.666,894 27.804,895 12.549,896 7.892,898 174.877,899 13.387,900 8.045,904 1.357,906 54.032,907 643.287,908 51,911 12.479,914 -0.662,916 69.392,917 78.324,918 0.285,919 0.617,920 0.772,921 0.853,922 0.883,923 0.888,924 5.201,925 2.02,926 6.111,927 6.562,928 4.745,929 5.182,930 3.398,931 6.905,932 4.606,933 6.395,934 1.887,935 7.664,936 5.933,937 4.443,938 4.966,939 3.963,940 7.934,941 4.147,942 7.694,943 1.709,944 9.321,945 5.429,946 6.368,947 7.272,948 5.475,949 10.925,950 6.074,951 9.023,952 1.211,953 11.042,954 4.788,955 6.836,956 7.782,957 6.702,958 12.807,959 6.371,960 10.379,961 1.156,962 12.809,963 3.204,964 8.278,965 9.63,966 8.066,967 15.421,968 7.8,969 11.756,970 1,971 14.613,972 2.634,973 9.11,974 10.498,975 9.391,976 17.684,977 8.47,978 13.149,979 1,980 16.447,981 2.275,982 10.372,983 12.138,984 10.736,985 20.21,986 9.69,987 3.388,988 0.624,989 18.306,990 2.275,991 11.389,992 13.21,993 12.075,994 22.628,995 10.559,996 2.784,997 12.281,998 20.189,999 1.238,1000 12.59,1001 14.737,1002 13.417,1003 25.136,1004 11.691,1005 2.697,1006 8.044,1007 22.09,1008 4.067,1009 13.701,1010 15.931,1011 14.758,1012 27.611,1013 12.669,1014 2.659,1015 7.964,1016 24.007,1017 3.737,1018 14.889,1019 17.394,1020 16.1,1021 30.118,1022 13.77,1023 2.53,1024 7.619,1025 25.938,1026 3.587,1027 16.048,1028 18.663,1029 17.441,1030 32.614,1031 14.807,1032 2.367,1033 7.218,1034 27.88,1035 3.156,1036 17.24,1037 20.09,1038 18.783,1039 35.121,1040 15.901,1041 2.232,1042 6.87,1043 29.831,1044 2.903,1045 18.425,1046 21.404,1047 20.124,1048 37.624,1049 16.97,1050 24738,1051 43069,1052 26.929,1053 43.66,1054 60.919,1055 60.818,1056 61.764,1057 60.732,1058 60.475,1059 74.736,1060 17.755,1061 172.381,1062 56.332,1063 5.561,1064 6.472,1065 6.847,1066 5.363,1067 5.388,1068 7.067,1069 5.335,1070 19.807,1071 5.062,1072 21.185,1073 1.486,1074 1.483,1075 1.506,1076 1.481,1077 1.475,1078 1.823,1079 0.433,1080 4.204,1081 1.374,1082 4.013,1083 4.052,1084 3.967,1085 3.912,1086 8.513,1087 3.918,1088 3.925,1089 3.956,1090 3.881,1091 3.827,1092 7.999,1093 3.832,1094 3.821,1095 3.887,1096 3.758,1097 3.636,1098 7.999,1099 3.661,1100 3.797,1101 3.852,1102 3.701,1103 3.616,1104 7.431,1105 3.628,1106 3.484,1107 3.547,1108 3.448,1109 3.25,1110 5.079,1111 3.265,1112 3.412,1113 3.484,1114 3.304,1115 3.155,1116 4.784,1117 3.182,1118 3.302,1119 3.399,1120 3.213,1121 3.016,1122 4.697,1123 3.043,1124 3.268,1125 3.324,1126 3.114,1127 2.978,1128 4.378,1129 3.009,1130 0.111,1131 0.109,1132 0.177,1133 0.104,1134 0.083,1135 4.561,1136 0.099,1137 4.472,1138 0.093,1139 7.254,1140 0.3,1141 4.275,1142 0.075,1143 3.388,1144 4.067,1145 3.825,1146 12.281,1147 3.062,1148 1.944,1149 1.917,1150 2.053,1151 2.075,1152 1.341,1153 2.07,1154 1.885,1155 1.861,1156 1.989,1157 2.021,1158 1.168,1159 2.008,1160 1.768,1161 1.697,1162 1.959,1163 1.971,1164 1.062,1165 1.967,1166 1.725,1167 1.676,1168 1.833,1169 1.919,1170 0.937,1171 1.903,1172 1.436,1173 1.352,1174 1.75,1175 1.678,1176 0.825,1177 1.702,1178 1.298,1179 1.246,1180 1.582,1181 1.606,1182 0.824,1183 1.582,1184 1.248,1185 1.144,1186 1.513,1187 1.551,1188 0.653,1189 1.541,1190 1.153,1191 1.064,1192 1.464,1193 1.416,1194 0.584,1195 1.429,1196 4.419,1198 5.74,1200 7.242,1202 8.823,1204 10.446,1206 3.801,1208 41.525,1212 4.244,1213 7.99,1214 5.666,1217 4.291,1218 -4.539,1222 42.578,1223 118.123,1224 255.24,1225 319.709,1226 352.928,1227 365.683,1228 367.683,1229 93.97,1230 8.114,1231 94.65,1232 94.65,1233 24,1234 12.681,1235 4.322,1236 3.459,1237 68.063,1238 224,1239 226,1240 0.144,1241 260.471,1242 462.61,1243 627.309,1244 45199,1245 4.4,1246 27.123,1247 0.714,1248 0.557,1249 24.623,1250 21.178,1251 18.228,1252 0.445,1253 0.298,1254 11.966,1255 17.174,1256 11.738,1257 9.711,1258 17.017,1259 12.238,1260 16.948,1261 0.297,1262 0.154,1263 14.953,1264 8.777,1265 12.967,1266 0.188,1267 0.09,1268 12.208,1269 6.212,1270 10.577,1271 0.122,1272 0.047,1273 9.834,1274 4.113,1275 8.658,1276 0.079,1277 0.026,1278 7.955,1279 2.82,1280 0.237,1281 116.519,1282 0.193,1283 35.406,1284 0.369,1285 196,1286 777.383,1287 232.926,1288 664.428,1289 874.93,1290 618,1291 224,1292 620.98,1293 253.502,1294 605.604,1295 899.67,1296 567,1297 5}
{0 CHEMBL576982,1 1.664,2 19.05,3 5.719,4 32.712,5 154.689,6 7.788,7 0.556,8 4.397,9 4.508,10 4.039,11 3.919,12 5.471,13 3.899,14 4.952,15 5.118,16 4.449,17 4.327,18 5.997,19 4.293,20 5.17,21 5.359,22 4.416,23 4.461,24 6.168,25 4.373,26 5.269,27 5.512,28 4.326,29 4.417,30 6.213,31 4.304,32 5.153,33 5.405,34 4.221,35 4.254,36 6.148,37 4.156,38 4.877,39 5.083,40 4.138,41 4.153,42 5.874,43 4.067,44 4.826,45 5.007,46 4.166,47 4.191,48 5.877,49 4.113,50 4.957,51 5.158,52 4.128,53 4.199,54 6.038,55 4.11,56 0.11,57 1.104,58 14.964,59 6.645,60 11.579,61 8.276,62 0.499,63 1.806,64 31.117,65 11.057,66 39.025,67 14.213,68 0.656,69 2.107,70 40.132,71 14.426,72 49.537,73 18.301,74 0.67,75 2.156,76 49.446,77 16.656,78 67.629,79 22.163,80 0.825,81 1.921,82 44.02,83 13.339,84 75.5,85 18.092,86 0.662,87 1.571,88 34.515,89 10.925,90 47.153,91 13.458,92 0.249,93 1.576,94 29.949,95 10.999,96 27.839,97 13.99,98 0.594,99 1.672,100 32.686,101 11.102,102 71.058,103 14.352,104 18,105 65,106 0.256,107 0.601,108 0.733,109 0.798,110 0.81,111 0.81,112 3.717,113 0.942,114 -4.43,115 -4.36,116 -4.11,118 40.3,119 3,122 1,124 6,136 8,137 1,138 2,140 1,141 1,145 1,146 3,150 1,153 1,157 1,161 8,163 1,164 9,166 3,167 1,168 3,169 10,172 2,173 10,175 1,177 2,179 7,182 1,183 13,185 1,187 5,189 2,192 2,193 7,195 1,197 5,200 3,202 2,203 5,205 1,207 2,208 8,211 8,214 1,216 3,217 8,219 2,220 6,222 1,224 1,226 7,228 2,229 4,231 1,233 1,235 8,238 3720,239 26.969,240 26.969,241 26.969,242 26.969,243 26.969,244 24.093,245 30.283,246 15.772,247 27.843,248 22.304,249 22.304,250 22.304,251 22.304,252 22.304,253 17.757,254 41.564,255 7.614,256 23.738,257 4.505,258 2.264,259 1.404,260 0.983,261 0.907,262 0.907,263 4.43,267 1,268 1683,269 4.416,271 309.188,272 406.175,274 144.755,275 168.529,278 227.117,279 3.503,280 31.443,283 0.75,284 0.5,285 0.83,286 0.7,287 0.5,288 0.83,289 1,290 0.73,291 87,292 762,293 4.749,294 3.582,295 7.118,296 4.326,297 3.327,298 4.85,299 1.656,300 11.699,301 3.322,302 4.471,303 3.527,304 6.794,305 4.178,306 3.265,307 3.918,308 0.86,309 11.258,310 2.995,311 4.222,312 3.275,313 6.148,314 3.81,315 2.834,316 3.89,317 0.86,318 9.096,319 2.756,320 3.969,321 2.94,322 5.635,323 3.606,324 2.65,325 3.538,326 0.8,327 7.717,328 2.525,329 3.848,330 2.857,331 5.572,332 3.461,333 2.539,334 3.148,335 0.247,336 7.48,337 2.355,338 3.689,339 2.721,340 5.355,341 3.411,342 2.473,343 3.027,345 7.011,346 2.3,347 3.521,348 2.523,349 5.341,350 3.299,351 2.351,352 2.746,354 6.955,355 2.213,356 3.427,357 2.413,358 5.195,359 2.983,360 2.019,361 2.591,363 6.228,364 1.946,365 3.294,366 2.175,367 4.842,368 2.827,369 1.873,370 2.524,372 5.276,373 1.758,374 3.217,375 2.037,376 4.749,377 2.601,378 1.725,379 2.495,381 5.234,382 1.492,383 2.718,384 1.73,385 4.349,386 2.426,387 1.545,388 1.812,389 3.93,390 1.354,391 2.653,392 1.492,393 4.226,394 2.307,395 1.332,396 1.688,397 3.584,398 1.294,399 2.574,400 1.484,401 3.804,402 2.173,403 1.213,404 1.578,405 3.233,406 1.153,407 2.5,408 1.275,409 3.679,410 2.006,411 1.104,412 1.5,413 2.675,414 1,415 2.459,416 1.256,417 3.414,418 2,419 1,420 1.443,421 2.275,422 0.986,423 19.067,424 0.477,425 1.116,426 0.028,427 50.5,428 1.263,429 23,430 0.575,431 27.5,432 0.688,433 38.334,434 0.958,435 43.333,436 0.602,437 39.589,438 0.99,439 9.588,440 0.24,441 9.726,442 0.243,443 0.096,444 0.026,445 0.304,449 0.806,450 1.367,451 0.737,452 1.062,453 0.66,454 0.958,455 1.001,456 1.047,457 0.791,458 0.894,459 0.622,460 0.833,461 1.149,462 1.072,463 1.084,464 1.029,465 1.02,466 1.085,467 0.946,468 1.021,469 0.905,470 0.984,471 0.779,472 0.957,473 1.099,474 0.891,475 0.906,476 0.791,477 1.267,478 0.83,479 1.21,480 0.838,481 1.238,482 0.914,483 1.152,484 0.855,485 0.784,486 1.243,487 1.132,488 1.276,489 0.89,490 1.1,491 1.278,492 0.95,493 1.081,494 0.96,495 2.085,496 1.072,497 9.5,498 0.176,499 4,500 2.736,501 1.772,502 1.424,503 0.749,504 0.483,505 0.428,506 0.45,507 34297,508 86492,509 2.144,510 44.4,511 9,512 20,513 1,515 2,520 1.791,521 2.025,522 4.161,523 0.174,528 119.843,529 1.664,530 3.906,531 4.766,532 5.187,533 5.263,534 5.263,535 3.659,536 5.003,537 5.285,538 4.401,539 3433.1,540 9.282,541 65900.8,546 444.235,547 1.445,548 5.258,549 0.211,550 0.004,551 0.062,552 0.046,553 0.033,554 0.03,555 0.016,556 0.01,557 0.01,558 0.011,559 0.432,560 0.17,561 0.75,562 0.598,563 233.874,564 0.022,565 -0.182,566 0.083,567 -0.046,568 -0.025,569 -0.004,570 0.036,571 0.06,572 0.143,573 0.099,574 0.132,575 0.114,576 -0.105,577 -0.022,578 -0.127,579 -0.035,580 -0.102,581 -0.122,582 0.003,583 -0.087,584 0.089,585 0.004,586 0.11,587 0.051,589 0.073,590 0.1,591 0.142,592 0.015,593 0.134,594 -0.087,595 0.231,596 -0.075,597 0.169,598 -0.087,599 0.114,600 -0.023,601 -0.151,602 -0.085,603 -0.171,604 0.064,605 -0.092,606 -0.169,607 0.083,608 -0.152,609 -0.012,610 -0.265,611 -0.125,612 2.056,613 5.424,614 0.725,615 71.7,616 1.007,617 1.127,618 3.203,619 10.256,620 0.672,621 3.829,622 4.19,623 4.443,624 4.727,625 4.934,626 5.088,627 5.273,628 5.421,629 5.576,630 5.753,631 10.929,632 0.639,633 560.74,634 3.829,635 5.398,636 6.252,637 7.144,638 8.016,639 8.913,640 9.795,641 10.695,642 11.585,643 12.49,644 8.3,647 1,651 2,652 1,654 2,656 3,657 9,658 2,660 1,661 1,662 6,664 25,677 1,679 72,680 26,681 2,682 45,684 77,685 29,686 18,687 5,688 7,690 6,691 9,693 1,694 3,695 1,702 19,703 10,706 1,709 1,712 1,718 32,719 9,720 2,721 11,722 1,724 1,725 1,726 6,729 0.667,730 4,744 3,745 3,747 1,748 1,751 1,763 1,765 1,766 4,768 1,770 3,774 40,780 6,781 2,782 2,785 1,786 1,789 1,795 5.6,798 1,799 1,800 2,801 19.75,802 13.883,803 8.444,804 4.296,805 4.823,806 1.517,807 0.996,808 7.814,809 14.149,810 4.086,811 4.725,812 5.338,813 6.007,814 6.545,815 7.039,816 7.587,817 8.057,818 8.498,819 8.959,820 0.923,821 60,822 14.789,823 6.34,824 7.631,825 28.579,826 23.827,827 2.131,828 85.25,832 353.133,833 191.59,834 76.814,836 56.879,838 31.278,839 160.312,840 410.012,841 76.814,842 26.476,843 56.116,844 84.857,845 72.527,846 39.087,847 26.714,848 372.64,850 353.133,851 237.127,852 56.879,853 31.278,855 353.133,856 45.879,857 11,858 89.759,859 110.986,860 36.382,861 31.278,862 353.133,863 133.693,864 191.59,867 353.133,868 80.257,869 115.744,870 36.022,871 93.261,872 353.133,873 133.693,874 191.59,876 0.592,877 0.331,878 0.175,879 0.093,880 33,881 14,882 0.104,883 8,884 2,885 1.138,886 5.281,887 389.261,888 0.138,889 29,890 197.367,891 1,894 27.208,895 11.488,896 6.358,897 3.14,898 132.407,899 17.548,900 8.767,902 5.32,903 1.634,904 4.435,906 36.022,907 678.416,908 58.5,911 12.424,914 -0.389,916 72.483,917 81.145,918 0.27,919 0.633,920 0.773,921 0.841,922 0.853,923 0.853,924 5.348,925 2.019,926 6.263,927 6.955,928 4.875,929 5.414,930 2.274,931 7.096,932 4.762,933 6.573,934 1.873,935 7.836,936 6.228,937 4.575,938 5.323,939 1.305,940 8.143,941 4.443,942 7.899,943 1.725,944 9.514,945 5.276,946 6.526,947 7.674,948 2.627,949 11.182,950 6.326,951 9.261,952 1.545,953 11.256,954 5.234,955 7.04,956 8.439,957 2.354,958 13.072,959 6.831,960 10.658,961 1.332,962 13.043,963 3.93,964 8.489,965 10.284,966 3.315,967 15.68,968 8.227,969 12.078,970 1.213,971 14.86,972 3.584,973 9.364,974 11.461,975 3.414,976 17.905,977 9.094,978 13.518,979 1.104,980 16.703,981 3.233,982 10.63,983 13.115,984 4.177,985 20.389,986 10.322,987 3.327,988 1,989 18.564,990 2.675,991 11.672,992 14.495,993 4.466,994 22.746,995 11.353,996 3.265,997 11.699,998 20.44,999 2.275,1000 12.873,1001 16.08,1002 5.117,1003 25.196,1004 12.528,1005 2.834,1006 11.258,1007 22.33,1008 4.85,1009 13.991,1010 17.56,1011 5.504,1012 27.604,1013 13.635,1014 2.65,1015 9.096,1016 24.229,1017 3.918,1018 15.174,1019 19.125,1020 6.093,1021 30.046,1022 14.799,1023 2.539,1024 7.717,1025 26.138,1026 3.89,1027 16.327,1028 20.652,1029 6.531,1030 32.475,1031 15.941,1032 2.473,1033 7.48,1034 28.053,1035 3.538,1036 17.507,1037 22.215,1038 7.084,1039 34.917,1040 17.108,1041 2.351,1042 7.011,1043 29.974,1044 3.148,1045 18.678,1046 23.766,1047 7.551,1048 37.355,1049 18.27,1050 31501,1051 50293,1052 30.512,1053 48.398,1054 68.998,1055 69.621,1056 68.613,1057 68.062,1058 68.074,1059 88.155,1060 8.846,1061 200.451,1062 64.167,1063 5.749,1064 5.582,1065 6.92,1066 5.494,1067 5.327,1068 7.85,1069 2.912,1070 18.829,1071 5.322,1072 18.507,1073 1.533,1074 1.547,1075 1.525,1076 1.512,1077 1.513,1078 1.959,1079 0.197,1080 4.454,1081 1.426,1082 4.216,1083 4.242,1084 4.429,1085 4.155,1086 7.431,1087 4.129,1088 3.959,1089 3.989,1090 3.921,1091 3.852,1092 5.216,1093 3.849,1094 3.894,1095 3.921,1096 3.852,1097 3.774,1098 5.093,1099 3.79,1100 3.813,1101 3.873,1102 3.703,1103 3.594,1104 4.777,1105 3.609,1106 3.64,1107 3.679,1108 3.586,1109 3.49,1110 4.668,1111 3.503,1112 3.555,1113 3.615,1114 3.462,1115 3.359,1116 4.609,1117 3.372,1118 3.377,1119 3.43,1120 3.337,1121 3.168,1122 4.265,1123 3.17,1124 3.308,1125 3.35,1126 3.213,1127 3.078,1128 4.249,1129 3.085,1130 0.106,1131 0.08,1132 0.158,1133 0.096,1134 0.074,1135 4.749,1136 0.108,1137 3.582,1138 0.037,1139 7.118,1140 0.26,1141 4.326,1142 0.074,1143 3.327,1144 4.85,1145 1.656,1146 11.699,1147 3.322,1148 1.946,1149 1.926,1150 2.022,1151 2.045,1152 1.256,1153 2.04,1154 1.892,1155 1.87,1156 1.991,1157 1.999,1158 1.208,1159 1.997,1160 1.78,1161 1.739,1162 1.982,1163 1.969,1164 1.161,1165 1.964,1166 1.733,1167 1.671,1168 1.943,1169 1.924,1170 1.097,1171 1.947,1172 1.479,1173 1.447,1174 1.655,1175 1.737,1176 0.922,1177 1.69,1178 1.452,1179 1.406,1180 1.574,1181 1.672,1182 0.825,1183 1.658,1184 1.353,1185 1.309,1186 1.513,1187 1.547,1188 0.69,1189 1.569,1190 1.294,1191 1.247,1192 1.483,1193 1.458,1194 0.6,1195 1.444,1196 4.511,1198 5.861,1199 3.434,1200 7.38,1201 5.82,1202 8.976,1203 7.941,1204 10.617,1206 6.058,1212 5.072,1213 5.532,1214 11.425,1217 2.362,1218 -0.187,1222 46.023,1223 119.843,1224 281.202,1225 343.176,1226 373.441,1227 378.95,1228 378.95,1229 62.619,1230 9.326,1231 106.16,1232 134.4,1233 33,1234 13.012,1235 4.755,1236 3.858,1237 57.905,1238 262,1239 262,1240 0.105,1241 280.268,1242 472.23,1243 675.615,1244 197864,1246 27.692,1247 0.692,1248 0.59,1249 28.045,1250 23.585,1251 19.314,1252 0.429,1253 0.314,1254 13.161,1255 17.966,1256 12.717,1257 10.516,1258 19.722,1259 14.136,1260 18.528,1261 0.285,1262 0.182,1263 19.171,1264 11.805,1265 14.836,1266 0.177,1267 0.093,1268 15.608,1269 7.793,1270 12.629,1271 0.113,1272 0.05,1273 13.601,1274 5.554,1275 9.918,1276 0.072,1277 0.027,1278 10.867,1279 3.747,1280 0.175,1281 126.188,1282 0.181,1283 37.309,1284 0.263,1285 220,1286 645.049,1287 271.903,1288 632.891,1289 878.07,1290 596,1291 259,1292 650.803,1293 308.859,1294 666.909,1295 979.48,1296 626,1297 5}
{0 CHEMBL601719,1 1.778,2 11.767,3 3.694,4 13.646,5 118.112,6 8.661,7 0.515,8 4.068,9 4.188,10 3.755,11 3.612,12 5.194,13 3.597,14 4.613,15 4.779,16 4.164,17 4.02,18 5.709,19 3.988,20 4.9,21 5.103,22 4.332,23 4.171,24 6.028,25 4.108,26 4.921,27 5.125,28 4.366,29 4.168,30 6.033,31 4.081,32 4.893,33 5.122,34 4.105,35 4.074,36 6.038,37 3.981,38 4.725,39 4.942,40 4.013,41 3.993,42 5.803,43 3.908,44 4.692,45 4.901,46 4.129,47 3.992,48 5.855,49 3.904,50 4.731,51 4.963,52 3.976,53 3.926,54 5.886,55 3.828,56 0.124,57 0.843,58 8.72,59 4.5,60 12.631,61 5.562,62 0.295,63 1.327,64 18.794,65 7.839,66 27.206,67 9.848,68 0.724,69 1.546,70 32.857,71 10.809,72 68.014,73 13.474,74 0.761,75 1.529,76 41.123,77 11.496,78 68.091,79 14.309,80 0.89,81 1.468,82 39.648,83 11.066,84 85.139,85 14.164,86 0.537,87 1.357,88 25.281,89 9.144,90 52.019,91 11.785,92 0.463,93 1.286,94 27.552,95 9.058,96 51.292,97 12.149,98 0.596,99 1.34,100 30.777,101 9.101,102 68.553,103 11.935,104 26,105 47,106 0.297,107 0.679,108 0.838,109 0.866,110 0.866,111 0.866,112 3.44,113 0.955,114 -4.9,115 -4.8,116 -4.51,118 40.4,119 1,120 2,124 2,125 2,136 3,137 3,138 4,139 2,141 1,145 1,154 1,155 1,156 1,157 1,161 3,164 8,165 1,166 1,168 2,169 7,172 1,173 7,174 1,175 1,177 1,179 3,181 1,183 6,185 1,187 1,189 9,190 1,192 2,193 3,195 1,197 3,200 5,201 3,202 2,207 1,208 7,211 5,213 2,214 2,216 4,217 4,218 3,220 7,224 2,226 4,227 1,231 1,233 2,235 1,237 2,238 1486,239 20.068,240 20.068,241 20.068,242 20.068,243 20.068,244 17.901,245 23.489,246 11.629,247 20.687,248 16.228,249 16.228,250 16.228,251 16.228,252 16.228,253 13.008,254 28.517,255 5.49,256 17.389,257 3.922,258 1.637,259 0.683,260 0.515,261 0.515,262 0.515,263 4.132,264 2,266 1,267 1,268 762,269 3,271 82.892,272 310.356,279 1.916,280 36.219,283 1,284 0.83,285 1,286 0.8,287 0.5,288 1,289 1,290 0.88,291 65.667,292 353,293 4.492,294 3.623,295 6.78,296 4.095,297 3.167,298 4.165,299 1.151,300 10.939,301 2.952,302 4.382,303 3.179,304 6.323,305 3.994,306 3.027,307 4.065,308 0.4,309 9.687,310 2.88,311 4.13,312 3.043,313 6.112,314 3.767,315 2.822,316 3.69,318 8.943,319 2.668,320 3.736,321 2.892,322 5.875,323 3.479,324 2.518,325 3.005,327 8.103,328 2.407,329 3.581,330 2.654,331 5.572,332 3.2,333 2.29,334 2.894,336 6.876,337 2.059,338 3.222,339 2.472,340 4.891,341 2.845,342 1.948,343 2.416,345 5.281,346 1.798,347 3.117,348 2.103,349 4.634,350 2.796,351 1.869,352 2.251,354 4.921,355 1.589,356 2.889,357 2.021,358 4.349,359 2.425,360 1.518,361 2.029,363 4.026,364 1.354,365 2.657,366 1.627,367 4.116,368 2.364,369 1.414,370 1.69,372 3.494,373 1.34,374 2.538,375 1.564,376 4.032,377 2.151,378 1.24,379 1.546,381 3.212,382 1.09,383 2.225,384 1.077,385 3.466,386 1.984,387 1,388 1.145,389 2.429,390 0.983,391 2.076,392 1,393 3.263,394 1.902,395 0.934,396 1,397 2.136,398 0.902,399 2,400 0.881,401 3.247,402 1.598,403 0.666,404 0.949,405 1.634,406 0.619,407 1.459,408 0.775,409 3.046,410 1.08,411 0.219,412 0.257,413 0.504,414 0.165,415 1.427,416 0.676,417 2.718,418 0.986,419 0.188,420 0.224,421 0.427,422 0.141,423 14.548,424 0.485,425 0.822,426 0.027,427 36.75,428 1.225,429 17,430 0.567,431 19.75,432 0.658,433 28.716,434 0.957,435 32.852,436 0.632,437 28.006,438 0.934,439 7.035,440 0.234,441 7.401,442 0.247,443 0.18,445 0.371,448 1,449 0.701,450 1.135,451 0.571,452 0.917,453 0.649,454 0.868,455 0.853,456 1.106,457 0.64,458 0.903,459 0.585,460 0.877,461 1.005,462 0.976,463 0.807,464 0.867,465 0.766,466 0.881,467 0.945,468 0.998,469 0.985,470 1.072,471 0.813,472 1.043,473 0.921,474 0.856,475 1.083,476 1.014,477 0.836,478 1.005,479 0.936,480 1.017,481 0.727,482 0.859,483 1.02,484 0.946,485 0.555,486 1.045,487 0.845,488 1.106,489 0.625,490 1.05,491 0.977,492 0.996,493 1.025,494 1.007,495 0.917,496 1.025,497 6,498 0.18,499 4.222,500 2.25,501 1.829,502 1.039,503 0.652,504 0.438,505 0.396,506 0.221,507 12062,508 37175,509 2.067,510 42.3,512 9,513 1,514 2,515 3,517 3,518 4,520 1.728,521 1.915,522 3.52,523 0.933,525 1,528 92.467,529 1.778,530 4.063,531 5.018,532 5.186,533 5.186,534 5.186,535 2.94,536 4.707,537 4.88,538 3.698,539 1608.53,540 8.51,541 22407.8,543 1,546 296.423,547 1.475,548 4.828,549 0.182,550 0.007,551 0.09,552 0.046,553 0.041,554 0.026,555 0.017,556 0.011,557 0.012,558 0.008,559 0.44,560 0.17,561 1,562 0.594,563 154.477,564 -0.04,565 -0.029,566 0.011,567 0.004,568 -0.063,569 0.028,570 -0.065,571 -0.082,572 0.05,573 0.021,574 0.049,575 0.044,576 0.001,577 -0.002,578 0.076,579 0.088,580 0.091,581 0.07,582 0.03,583 -0.094,584 0.057,585 -0.084,586 -0.004,587 -0.068,588 0.062,589 0.078,590 -0.087,591 -0.045,592 0.073,593 -0.029,594 -0.048,595 -0.008,596 0.019,597 0.079,598 -0.097,599 0.015,600 0.159,601 -0.124,602 0.086,603 -0.128,604 0.121,605 -0.058,606 -0.027,607 -0.018,608 -0.059,609 -0.047,610 0.044,611 -0.054,612 2.225,613 5.882,614 0.767,615 28.804,616 1.016,617 1.136,618 3.666,619 13.438,620 0.688,621 3.526,622 3.871,623 4.159,624 4.394,625 4.575,626 4.615,627 4.71,628 4.804,629 4.927,630 5.011,631 7.009,632 0.656,633 450.38,634 3.526,635 5.081,636 5.943,637 6.825,638 7.7,639 8.585,640 9.465,641 10.35,642 11.232,643 12.119,644 9.6,646 1,648 1,652 1,654 2,657 6,658 2,662 8,663 1,664 17,673 1,677 1,678 3,679 52,680 17,681 1,682 33,684 55,685 21,686 14,687 4,688 2,690 4,691 4,692 2,694 1,697 3,700 4,702 14,703 7,715 1,716 1,718 22,719 6,720 3,721 9,722 2,726 5,729 1,730 1,737 1,739 1,744 1,745 3,762 1,766 4,770 1,771 2,772 1,774 30,775 1,780 4,781 1,782 1,784 2,794 3,795 1.9,800 1,801 15.667,802 9.445,803 6.528,804 3.151,805 3.154,806 1.409,807 0.991,808 6.487,809 10.871,810 3.75,811 4.36,812 4.934,813 5.467,814 5.916,815 6.163,816 6.458,817 6.804,818 7.172,819 7.457,820 0.875,821 49,822 11.117,823 4.833,824 7.841,825 21.013,826 17.484,827 2.341,828 70.222,831 1,832 223.651,833 106.927,834 86.133,835 78.297,836 11,837 14.96,839 106.927,840 312.948,841 101.093,842 8.825,843 9.28,844 88.384,845 56.991,846 61.794,847 29.059,848 188.338,849 78.297,850 223.651,851 193.06,852 25.96,853 78.297,855 156.213,856 93.398,858 55.988,859 103.624,860 111.746,862 238.611,863 97.133,864 185.224,867 223.651,868 42.531,869 66.173,870 18.011,871 170.603,872 223.651,873 112.093,874 185.224,876 0.591,877 0.355,878 0.186,879 0.097,880 23,881 11,882 0.091,883 5,885 1,886 4.095,887 269.596,889 23,890 143.207,894 21.378,895 9.103,896 4.597,898 110.316,899 9.963,900 8.774,904 2.383,905 2.002,906 50.908,907 520.968,908 41.5,916 52.832,917 59.081,918 0.312,919 0.713,920 0.88,921 0.91,922 0.91,923 0.91,924 5.006,925 1.518,926 5.943,927 4.921,928 4.554,929 5.047,930 1.378,931 6.772,932 4.416,933 6.215,934 1.414,935 7.521,936 4.026,937 4.205,938 4.902,940 7.711,941 3.965,942 7.529,943 1.24,944 9.2,945 3.494,946 6.172,947 7.234,948 1.517,949 10.815,950 5.925,951 8.879,952 1,953 10.935,954 3.212,955 6.635,956 7.908,958 12.566,959 6.288,960 10.262,961 0.934,962 12.707,963 2.429,964 8.079,965 9.719,966 1.732,967 15.186,968 7.721,969 11.666,970 0.666,971 14.503,972 2.136,973 8.901,974 10.762,976 17.27,977 8.451,978 13.086,979 0.219,980 16.317,981 1.634,982 10.146,983 12.359,984 1.968,985 19.721,986 9.669,987 3.167,988 0.188,989 18.144,990 0.504,991 11.131,992 13.581,994 21.955,995 10.571,996 3.027,997 10.939,998 19.981,999 0.427,1000 12.298,1001 15.081,1002 2.214,1003 24.345,1004 11.697,1005 2.822,1006 9.687,1007 21.827,1008 4.165,1009 13.358,1010 16.392,1012 26.648,1013 12.681,1014 2.518,1015 8.943,1016 23.679,1017 4.065,1018 14.496,1019 17.846,1020 2.468,1021 29.02,1022 13.767,1023 2.29,1024 8.103,1025 25.537,1026 3.69,1027 15.591,1028 19.203,1030 31.358,1031 14.791,1032 1.948,1033 6.876,1034 27.4,1035 3.005,1036 16.72,1037 20.635,1038 2.727,1039 33.727,1040 15.862,1041 1.869,1042 5.281,1043 29.267,1044 2.894,1045 17.833,1046 22.017,1048 36.084,1049 16.905,1050 11474,1051 20405,1052 21.789,1053 35.75,1054 50.135,1055 51.399,1056 51.655,1057 49.79,1058 49.642,1059 62.656,1060 3.102,1061 145.223,1062 45.89,1063 5.492,1064 5.623,1065 6.582,1066 5.171,1067 5.167,1068 7.165,1069 2.302,1070 18.081,1071 4.952,1072 15.841,1073 1.519,1074 1.558,1075 1.565,1076 1.509,1077 1.504,1078 1.899,1079 0.094,1080 4.401,1081 1.391,1082 4.05,1083 4.098,1084 4.126,1085 3.928,1086 8.201,1087 3.938,1088 3.938,1089 3.957,1090 3.987,1091 3.861,1092 5.192,1093 3.864,1094 3.827,1095 3.875,1096 3.763,1097 3.681,1098 4.961,1099 3.689,1100 3.634,1101 3.702,1102 3.592,1103 3.445,1104 4.932,1105 3.463,1106 3.395,1107 3.458,1108 3.538,1109 3.223,1110 4.616,1111 3.218,1112 3.111,1113 3.206,1114 3.258,1115 2.941,1116 4.59,1117 2.91,1118 3.057,1119 3.157,1120 3.11,1121 2.847,1122 4.375,1123 2.83,1124 2.939,1125 3.019,1126 2.927,1127 2.811,1128 4.324,1129 2.829,1130 0.136,1131 0.11,1132 0.205,1133 0.124,1134 0.096,1135 4.492,1136 0.126,1137 3.623,1138 0.035,1139 6.78,1140 0.331,1141 4.095,1142 0.089,1143 3.167,1144 4.165,1145 1.151,1146 10.939,1147 2.952,1148 1.91,1149 1.897,1150 2.039,1151 2.04,1152 1.392,1153 2.043,1154 1.856,1155 1.825,1156 1.967,1157 2.012,1158 1.171,1159 2.004,1160 1.815,1161 1.758,1162 1.903,1163 1.934,1164 1.02,1165 1.932,1166 1.424,1167 1.38,1168 1.675,1169 1.62,1170 0.825,1171 1.637,1172 1.333,1173 1.272,1174 1.513,1175 1.594,1176 0.787,1177 1.566,1178 1.236,1179 1.142,1180 1.505,1181 1.503,1182 0.639,1183 1.494,1184 1.153,1185 1.064,1186 1.416,1187 1.376,1188 0.494,1189 1.429,1190 0.85,1191 0.811,1192 1.17,1193 1.191,1194 0.185,1195 1.198,1196 4.205,1198 5.541,1199 2.398,1200 7.071,1201 4.595,1202 8.686,1203 6.605,1204 10.345,1206 1.73,1207 12.314,1208 13.882,1210 6.018,1212 4.068,1213 3.356,1214 5.975,1216 -0.243,1222 34.128,1223 92.467,1224 211.298,1225 260.913,1226 269.668,1227 269.668,1228 269.668,1229 62.812,1230 7.717,1231 77.99,1232 77.99,1233 23,1234 12.651,1235 4.17,1236 3.248,1237 47.079,1238 126,1239 128,1240 0.181,1241 215.049,1242 368.88,1243 516.478,1244 25301,1245 5.8,1246 21.25,1247 0.708,1248 0.597,1249 21.38,1250 17.92,1251 14.436,1252 0.437,1253 0.318,1254 9.662,1255 13.292,1256 9.412,1257 7.725,1258 14.602,1259 10.501,1260 13.223,1261 0.281,1262 0.172,1263 13.459,1264 8.1,1265 11.471,1266 0.182,1267 0.095,1268 11.538,1269 6.003,1270 9.315,1271 0.116,1272 0.054,1273 10.096,1274 4.308,1275 7.149,1276 0.074,1277 0.027,1278 7.001,1279 2.566,1280 0.285,1281 96.919,1282 0.214,1283 28.367,1284 0.491,1285 160,1286 520.834,1287 207.403,1288 537.371,1289 710.32,1290 500,1291 190,1292 479.673,1293 233.7,1294 495.485,1295 729.49,1296 467,1297 5}
{0 CHEMBL608154,1 1.716,2 8.731,3 2.737,4 7.493,5 98.273,6 8.947,7 0.724,8 3.849,9 3.95,10 3.571,11 3.435,12 5.058,13 3.438,14 4.334,15 4.472,16 3.963,17 3.819,18 5.516,19 3.813,20 4.508,21 4.644,22 4.123,23 3.947,24 5.74,25 3.933,26 4.608,27 4.76,28 4.124,29 3.954,30 5.859,31 3.923,32 4.66,33 4.842,34 4.045,35 3.912,36 5.908,37 3.857,38 4.542,39 4.731,40 4.015,41 3.825,42 5.792,43 3.79,44 4.455,45 4.606,46 3.916,47 3.776,48 5.711,49 3.739,50 4.424,51 4.589,52 3.766,53 3.745,54 5.642,55 3.67,56 0.082,57 0.605,58 5.726,59 3.248,60 6.403,61 3.636,62 0.262,63 0.945,64 12.328,65 5.532,66 21.856,67 6.314,68 0.387,69 1.117,70 16.022,71 6.569,72 29.763,73 7.388,74 0.43,75 1.191,76 17.437,77 7.243,78 35.698,79 8.18,80 0.648,81 1.141,82 26.997,83 8.34,84 64.551,85 9.432,86 0.457,87 1.034,88 23.227,89 7.658,90 51.68,91 8.973,92 0.497,93 0.939,94 18.891,95 6.735,96 47.237,97 7.318,98 0.411,99 0.94,100 16.736,101 6.487,102 39.202,103 7.245,104 18,105 42,106 0.296,107 0.689,108 0.814,109 0.876,110 0.885,111 0.885,112 3.306,113 0.861,114 -2.77,115 -2.78,116 -2.7,118 46.3,119 1,123 1,136 4,137 3,138 3,139 3,140 1,146 2,149 1,161 5,164 5,166 1,168 3,169 5,173 5,175 2,176 1,177 4,179 3,182 1,183 4,185 2,187 5,189 2,192 1,193 4,195 1,197 3,200 2,203 5,205 1,207 1,208 4,210 2,211 5,214 1,216 2,217 6,219 1,220 4,226 7,229 2,235 2,238 1004,239 17.715,240 17.715,241 17.715,242 17.715,243 17.715,244 15.084,245 12.855,246 10.253,247 18.205,248 14.237,249 14.237,250 14.237,251 14.237,252 14.237,253 10.213,254 14.608,255 4.739,256 14.966,257 3.642,258 1.364,259 0.641,260 0.281,261 0.232,262 0.232,263 4.001,264 1,265 1,266 1,267 1,268 496,269 3.082,271 38.409,272 183.441,275 156.923,279 1.157,280 27.105,282 1,283 1,284 1,285 1,286 0.4,288 1,289 1,290 0.77,291 56.333,292 227,293 4.798,294 3.634,295 6.976,296 4.308,297 3.339,298 4.884,299 1.058,300 11.883,301 3.235,302 4.331,303 3.431,304 6.444,305 3.955,306 2.963,307 3.967,308 0.86,309 9.902,310 2.937,311 4.214,312 3.037,313 6.347,314 3.758,315 2.809,316 3.879,318 9.501,319 2.655,320 3.599,321 2.655,322 5.638,323 3.132,324 2.216,325 3.025,327 7.095,328 1.999,329 3.486,330 2.477,331 5.282,332 3.004,333 2.035,334 2.905,336 6.318,337 1.953,338 3.332,339 2.149,340 4.885,341 2.856,342 1.883,343 2.601,345 5.244,346 1.808,347 2.972,348 1.757,349 4.503,350 2.451,351 1.505,352 2.189,354 4.148,355 1.408,356 2.861,357 1.514,358 3.884,359 2.403,360 1.414,361 2.015,363 3.084,364 1.398,365 2.754,366 1.511,367 3.643,368 2.224,369 1.305,370 1.867,372 2.929,373 1.188,374 2.557,375 1.31,376 3.597,377 2.046,378 1.099,379 1.532,381 2.72,382 1.029,383 2.101,384 1.224,385 3.481,386 1.66,387 0.791,388 0.965,389 1.722,390 0.659,391 1.94,392 0.796,393 3.415,394 1.539,395 0.598,396 0.809,397 1.496,398 0.552,399 1.216,400 0.609,401 2.722,402 0.844,403 -0.087,404 -0.104,405 -0.169,406 -0.08,407 1.092,408 0.176,409 2.569,410 0.706,411 -0.288,412 -0.37,413 -0.605,414 -0.226,415 0.965,416 0.042,417 2.438,418 0.502,419 -0.327,420 -0.414,421 -0.753,422 -0.284,423 12.481,424 0.48,425 0.661,426 0.025,427 38,428 1.462,429 20.5,430 0.788,431 17.5,432 0.673,433 19.23,434 0.74,435 26.519,436 0.647,437 28.173,438 1.084,439 7.675,440 0.295,441 4.922,442 0.189,443 0.164,445 0.401,449 0.784,450 1.223,451 0.569,452 0.891,453 0.607,454 0.793,455 0.943,456 1.061,457 0.624,458 0.745,459 0.679,460 0.708,461 0.882,462 1.069,463 0.86,464 0.995,465 0.926,466 0.929,467 1.053,468 1.214,469 0.914,470 1.101,471 1.086,472 1.088,473 1.345,474 0.932,475 1.338,476 1.024,477 1.589,478 1.006,479 1.143,480 0.887,481 0.994,482 0.913,483 1.24,484 0.816,485 1.381,486 0.915,487 1.157,488 1.009,489 1.423,490 1.004,491 1.232,492 1.114,493 1.181,494 1.147,495 1.097,496 1.231,497 4.5,498 0.035,499 3.556,500 2.576,501 1.675,502 1.198,503 0.733,504 0.476,505 0.334,506 0.085,507 7175,508 22170,509 2.101,510 36.6,512 7,514 3,515 2,516 3,520 1.698,521 1.95,522 3.101,523 0.289,524 1,525 1,528 70.346,529 1.716,530 3.994,531 4.717,532 5.077,533 5.126,534 5.126,535 2.459,536 4.47,537 4.674,538 3.241,539 1053.27,540 8.139,541 12656.3,542 1,543 1,545 1,546 219.66,547 1.46,548 4.624,549 0.155,550 0.004,551 0.085,552 0.056,553 0.039,554 0.032,555 0.019,556 0.014,557 0.012,558 0.006,559 0.421,560 0.5,561 1,562 0.777,563 123.913,564 -0.086,565 -0.122,566 0.015,567 -0.022,568 -0.077,569 0.021,570 -0.063,571 -0.006,572 0.092,573 0.161,574 -0.006,575 0.164,576 0.065,577 -0.006,578 -0.016,579 -0.085,580 -0.028,581 -0.068,583 -0.178,584 -0.05,585 -0.184,586 -0.003,587 -0.207,588 -0.072,589 0.022,590 -0.125,591 -0.02,592 -0.109,593 -0.04,594 -0.003,595 0.059,596 0.137,597 0.095,598 0.091,599 0.177,600 -0.073,601 0.04,602 -0.115,603 -0.029,604 -0.111,605 -0.082,606 -0.159,607 -0.143,608 -0.229,609 -0.182,610 -0.087,611 -0.296,612 1.95,613 5.797,614 0.731,615 19.509,616 1.017,617 1.118,618 1.536,619 2.358,620 0.716,621 3.401,622 3.761,623 4.111,624 4.431,625 4.682,626 4.828,627 5.011,628 5.159,629 5.13,630 5.176,631 5.391,632 0.695,633 366.83,634 3.401,635 4.963,636 5.849,637 6.758,638 7.664,639 8.582,640 9.497,641 10.419,642 11.339,643 12.264,644 9.8,651 1,652 1,654 2,656 4,657 7,658 2,659 1,662 5,664 21,670 1,677 1,678 1,679 41,680 22,681 1,682 29,684 44,685 19,686 16,687 5,688 1,689 1,690 4,691 7,692 1,694 1,702 17,703 2,706 1,709 1,712 1,714 1,715 1,718 15,719 5,720 2,721 7,722 1,726 4,729 0.5,730 2,739 2,741 1,744 1,745 3,748 2,766 2,770 2,771 1,774 26,781 1,782 1,794 1,795 4.9,798 1,800 1,801 13.333,802 8.21,803 5.722,804 2.286,805 4.267,806 1.558,807 1.03,808 4.267,809 11.911,810 3.726,811 4.428,812 5.134,813 5.827,814 6.454,815 6.898,816 7.417,817 7.907,818 8.148,819 8.49,820 0.833,821 46,822 9.568,823 4.133,824 7.818,825 17.935,826 14.685,827 2.318,828 60.278,831 1,832 153.024,833 116.337,834 68.367,835 39.149,836 36.145,839 116.337,840 228.318,841 68.367,842 19.708,843 18.011,844 37.905,845 98.734,846 77.517,847 4.288,848 117.711,849 39.149,850 153.024,851 184.705,852 36.145,853 39.149,855 153.024,856 36.145,858 73.52,859 77.613,860 72.72,862 153.024,863 104.512,864 155.486,867 153.024,868 31.582,869 84.756,870 34.796,871 108.865,872 153.024,873 104.512,874 155.486,876 0.585,877 0.365,878 0.209,879 0.111,880 22,881 10,882 0.068,883 3,884 2,885 1.211,886 3.644,887 234.873,888 0.211,889 19,890 122.211,894 16.824,895 6.595,896 2.828,897 3.419,898 87.727,899 12.252,900 8.297,901 3.288,904 2.424,906 34.796,907 413.023,908 40.5,911 12.797,914 -0.283,916 41.687,917 45.847,918 0.32,919 0.745,920 0.88,921 0.948,922 0.957,923 0.957,924 4.965,925 1.414,926 5.855,927 4.148,928 4.443,929 5.115,930 1.552,931 6.737,932 4.353,933 6.216,934 1.305,935 7.459,936 3.084,937 4.111,938 5.085,940 7.774,941 3.994,942 7.561,943 1.099,944 9.166,945 2.929,946 6.098,947 7.48,948 1.527,949 10.93,950 5.95,951 8.947,952 0.791,953 10.933,954 2.72,955 6.608,956 8.306,958 12.797,959 6.438,960 10.368,961 0.598,962 12.738,963 1.722,964 8.074,965 10.182,966 1.53,967 15.476,968 7.877,969 11.814,970 -0.087,971 14.569,972 1.496,973 8.96,974 11.408,976 17.676,977 8.74,978 13.28,979 -0.288,980 16.418,981 -0.169,982 10.233,983 13.085,984 1.557,985 20.199,986 9.988,987 3.339,988 -0.327,989 18.28,990 -0.605,991 11.284,992 14.5,994 22.54,995 11.014,996 2.963,997 11.883,998 20.153,999 -0.753,1000 12.488,1001 16.102,1002 1.603,1003 25.013,1004 12.192,1005 2.809,1006 9.902,1007 22.034,1008 4.884,1009 13.611,1010 17.604,1012 27.417,1013 13.287,1014 2.216,1015 9.501,1016 23.921,1017 3.967,1018 14.794,1019 19.184,1020 1.663,1021 29.876,1022 14.443,1023 2.035,1024 7.095,1025 25.814,1026 3.879,1027 15.949,1028 20.726,1030 32.311,1031 15.57,1032 1.883,1033 6.318,1034 27.712,1035 3.025,1036 17.13,1037 22.301,1038 1.734,1039 34.77,1040 16.721,1041 1.505,1042 5.244,1043 29.614,1044 2.905,1045 18.301,1046 23.863,1048 37.22,1049 17.863,1050 6867,1051 12194,1052 19.304,1053 29.358,1054 44.37,1055 45.785,1056 46.677,1057 43.997,1058 43.916,1059 61.276,1060 3.837,1061 132.083,1062 41.641,1063 5.642,1064 5.634,1065 6.661,1066 5.348,1067 5.339,1068 7.884,1069 2.117,1070 19.555,1071 5.235,1072 12.522,1073 1.53,1074 1.579,1075 1.61,1076 1.517,1077 1.514,1078 2.113,1079 0.132,1080 4.555,1081 1.436,1082 4.216,1083 4.243,1084 4.223,1085 4.132,1086 7.429,1087 4.143,1088 3.912,1089 3.947,1090 3.867,1091 3.806,1092 5.124,1093 3.816,1094 3.694,1095 3.721,1096 3.806,1097 3.584,1098 4.87,1099 3.593,1100 3.305,1101 3.349,1102 3.407,1103 3.09,1104 4.856,1105 3.114,1106 3.272,1107 3.328,1108 3.202,1109 3.036,1110 4.499,1111 3.053,1112 3.167,1113 3.255,1114 3.078,1115 2.995,1116 4.439,1117 2.984,1118 3.133,1119 3.204,1120 2.954,1121 2.905,1122 3.944,1123 2.913,1124 2.856,1125 2.91,1126 2.875,1127 2.713,1128 3.916,1129 2.704,1130 0.165,1131 0.125,1132 0.241,1133 0.149,1134 0.115,1135 4.798,1136 0.168,1137 3.634,1138 0.036,1139 6.976,1140 0.41,1141 4.308,1142 0.112,1143 3.339,1144 4.884,1145 1.058,1146 11.883,1147 3.235,1148 1.97,1149 1.958,1150 2.014,1151 2.053,1152 1.208,1153 2.042,1154 1.872,1155 1.84,1156 1.971,1157 2.004,1158 1.042,1159 1.994,1160 1.811,1161 1.775,1162 1.886,1163 1.959,1164 0.976,1165 1.947,1166 1.229,1167 1.171,1168 1.573,1169 1.54,1170 0.603,1171 1.547,1172 1.214,1173 1.154,1174 1.552,1175 1.452,1176 0.578,1177 1.47,1178 1.161,1179 1.1,1180 1.302,1181 1.418,1182 0.333,1183 1.406,1184 1.079,1185 1.011,1186 1.275,1187 1.31,1188 0.276,1189 1.314,1190 0.815,1191 0.768,1192 1.003,1193 0.997,1194 0.07,1195 1,1196 4.078,1198 5.425,1199 2.398,1200 6.984,1201 4.844,1202 8.641,1203 7.066,1204 10.349,1206 3.302,1207 6.408,1213 2.923,1214 5.449,1222 28.504,1223 70.346,1224 163.743,1225 193.395,1226 208.15,1227 210.15,1228 210.15,1229 41.403,1230 7.644,1231 79.9,1232 79.9,1233 23,1234 12.77,1235 4.524,1236 3.644,1237 37.718,1238 81,1239 84,1240 0.224,1241 177.68,1242 294.61,1243 425.299,1244 20893,1245 2.4,1246 18.259,1247 0.702,1248 0.573,1249 18.759,1250 14.886,1251 12.597,1252 0.434,1253 0.287,1254 7.855,1255 11.825,1256 7.591,1257 6.302,1258 12.885,1259 8.325,1260 11.359,1261 0.27,1262 0.148,1263 11.73,1264 6.233,1265 10.141,1266 0.169,1267 0.076,1268 10.473,1269 4.58,1270 8.969,1271 0.108,1272 0.04,1273 9.347,1274 3.343,1275 7.134,1276 0.067,1277 0.02,1278 7.419,1279 2.173,1280 0.338,1281 82.218,1282 0.228,1283 24.403,1284 0.661,1285 142,1286 441.63,1287 169.828,1288 457.514,1289 621.89,1290 428,1291 173,1292 440.129,1293 198.778,1294 458.271,1295 675.07,1296 430,1297 5}
{0 CHEMBL91829,1 1.502,2 9.743,3 3.479,4 12.106,5 135.851,6 7.438,7 0.5,8 4.257,9 4.372,10 3.84,11 3.811,12 5.311,13 3.796,14 4.831,15 5.002,16 4.238,17 4.25,18 5.851,19 4.221,20 5.087,21 5.269,22 4.344,23 4.446,24 6.081,25 4.384,26 5.26,27 5.47,28 4.46,29 4.561,30 6.273,31 4.488,32 5.371,33 5.576,34 4.55,35 4.626,36 6.383,37 4.562,38 5.455,39 5.667,40 4.625,41 4.699,42 6.486,43 4.634,44 5.519,45 5.746,46 4.566,47 4.705,48 6.531,49 4.625,50 5.405,51 5.634,52 4.318,53 4.565,54 6.422,55 4.453,56 0.01,57 0.931,58 12.794,59 5.704,60 8.109,61 7.426,62 0.33,63 1.576,64 25.693,65 9.495,66 27.812,67 12.684,68 0.384,69 1.917,70 34.175,71 13.551,72 35.095,73 17.839,74 0.389,75 2.258,76 41.743,77 16.368,78 66.1,79 22.422,80 0.571,81 2.511,82 47.271,83 17.453,84 57.707,85 23.328,86 0.503,87 2.715,88 51.617,89 19.102,90 69.583,91 25.88,92 0.628,93 2.852,94 56.723,95 19.81,96 93.764,97 26.839,98 0.758,99 2.485,100 51.171,101 18.086,102 105.793,103 24.444,104 19,105 59,106 0.237,107 0.569,108 0.715,109 0.784,110 0.804,111 0.824,112 3.59,113 0.903,114 -3.48,115 -3.46,116 -3.31,118 44.4,120 1,123 2,124 4,125 1,132 2,136 8,137 4,145 2,146 2,149 2,161 13,164 10,166 2,168 2,169 14,172 2,173 11,177 2,179 13,182 2,183 8,187 2,189 13,192 3,193 10,195 2,197 2,200 12,202 3,203 14,207 4,208 10,210 1,211 16,216 3,217 10,219 1,220 14,222 1,226 8,228 1,229 6,235 7,238 1438,239 23.93,240 23.93,241 23.93,242 23.93,243 23.93,244 21.264,245 21.829,246 13.939,247 24.38,248 19.802,249 19.802,250 19.802,251 19.802,252 19.802,253 15.494,254 21.51,255 6.631,256 20.498,257 4.476,258 2.372,259 1.445,260 1.008,261 0.881,262 0.754,263 4.308,267 1,268 765,269 3.24,271 112.181,272 97.343,275 139.797,279 0.993,280 32.204,283 1,284 0.67,285 1,286 0.8,287 0.5,288 1,289 1,290 0.85,291 75,292 341,293 4.825,294 3.839,295 7.187,296 4.422,297 3.429,298 4.714,299 1.2,300 12.66,301 3.405,302 4.638,303 3.32,304 6.82,305 4.167,306 3.194,307 4.601,308 0.86,309 11.317,310 3.111,311 4.357,312 3.219,313 6.535,314 3.918,315 2.943,316 3.942,317 0.8,318 10.243,319 2.866,320 3.609,321 3.152,322 5.878,323 3.505,324 2.574,325 2.917,326 0.8,327 7.843,328 2.39,329 3.581,330 2.943,331 5.489,332 3.252,333 2.266,334 2.806,336 7.262,337 2.234,338 3.433,339 2.483,340 5.399,341 3.058,342 2.106,343 2.723,345 6.615,346 2.004,347 3.384,348 2.375,349 5.217,350 2.97,351 1.996,352 2.63,354 5.936,355 1.928,356 3.325,357 2.249,358 4.956,359 2.907,360 1.939,361 2.54,363 5.465,364 1.876,365 3.149,366 2.037,367 4.751,368 2.783,369 1.857,370 2.307,372 4.662,373 1.704,374 2.937,375 1.923,376 4.436,377 2.678,378 1.648,379 1.952,381 4.576,382 1.685,383 2.843,384 1.502,385 4.379,386 2.327,387 1.331,388 1.913,389 3.638,390 1.323,391 2.705,392 1.451,393 3.808,394 2.28,395 1.309,396 1.789,397 2.941,398 1.266,399 2.628,400 1.236,401 3.628,402 2.158,403 1.176,404 1.649,405 2.814,406 1.152,407 2.452,408 1.206,409 3.594,410 2.088,411 1.112,412 1.427,413 2.709,414 1.079,415 2.206,416 1.005,417 3.574,418 1.812,419 0.846,420 1.071,421 2.137,422 0.812,423 16.6,424 0.474,425 0.922,426 0.026,427 44.25,428 1.264,429 20.5,430 0.586,431 23.75,432 0.679,433 34.267,434 0.979,435 36.8,436 0.584,437 39.403,438 1.126,439 8.837,440 0.252,441 8.171,442 0.233,443 0.1,445 0.404,449 0.746,450 1.368,451 0.757,452 1.083,453 0.542,454 0.943,455 1.038,456 0.92,457 0.874,458 0.786,459 0.566,460 0.786,461 1.05,462 0.999,463 0.972,464 0.978,465 0.874,466 0.969,467 0.729,468 1.045,469 0.826,470 0.996,471 0.521,472 0.935,473 1.102,474 1,475 0.96,476 0.992,477 0.904,478 0.962,479 1.02,480 1.051,481 0.902,482 1.007,483 1.006,484 0.947,485 1.269,486 0.981,487 1.035,488 0.956,489 1.261,490 0.956,491 1.267,492 0.996,493 1.184,494 1.027,495 1.448,496 1.085,497 6,498 0.186,499 3.778,500 3.847,501 1.994,502 1.779,503 1.447,504 0.889,505 0.611,506 0.34,507 15429,508 36566,509 2.173,510 44.4,512 23,513 2,515 1,518 2,520 1.78,521 2.039,522 3.221,523 -0.401,528 94.602,529 1.502,530 3.605,531 4.533,532 4.969,533 5.096,534 5.223,535 2.119,536 4.844,537 5.11,538 3.324,539 1977.84,540 9.037,541 28638.5,546 376.569,547 1.392,548 5.065,549 0.15,550 0.01,551 0.064,552 0.06,553 0.028,554 0.023,555 0.018,556 0.012,557 0.011,558 0.009,559 0.384,560 0.5,561 0.75,562 0.797,563 181.497,564 -0.016,565 -0.211,566 0.075,567 -0.066,568 -0.029,569 0.003,570 -0.045,571 0.209,572 0.047,573 0.18,574 0.042,575 0.142,576 -0.039,577 0.029,578 -0.035,579 0.026,580 -0.046,582 0.115,583 -0.045,584 0.123,585 0.008,586 0.198,587 0.059,588 0.013,589 0.016,590 0.019,591 -0.016,592 0.022,593 -0.003,594 0.026,595 -0.047,596 0.076,597 -0.027,598 0.04,599 0.024,600 -0.127,601 0.016,602 -0.031,603 0.007,604 -0.064,605 0.006,606 -0.104,607 -0.025,608 -0.175,609 -0.055,610 -0.136,611 -0.115,612 2.015,613 6.201,614 0.829,615 24.898,616 1,617 1.121,618 2.253,619 5.077,620 0.675,621 3.714,622 4.094,623 4.454,624 4.844,625 5.112,626 5.328,627 5.591,628 5.805,629 5.953,630 6.12,631 5.908,632 0.644,633 468.6,634 3.714,635 5.293,636 6.188,637 7.114,638 8.033,639 8.969,640 9.899,641 10.84,642 11.777,643 12.721,644 6.3,647 1,651 1,652 2,656 4,657 10,662 2,663 2,664 20,679 63,680 23,681 2,682 40,684 68,685 28,686 16,687 4,688 8,689 4,690 6,691 25,697 2,700 2,702 20,703 8,706 3,709 2,712 4,718 28,719 5,720 1,721 7,726 4,728 1,729 0.167,730 3,741 2,744 3,745 2,748 2,759 2,763 1,765 1,766 1,770 2,774 35,780 5,781 1,782 1,784 1,785 1,795 4.8,798 2,799 1,801 17.167,802 12.017,803 7.472,804 3.843,805 4.447,806 1.472,807 1.04,808 5.602,809 13.864,810 3.989,811 4.649,812 5.346,813 6.052,814 6.633,815 7.101,816 7.643,817 8.131,818 8.461,819 8.906,820 0.5,821 64,822 13.061,823 5.798,824 7.657,825 25.224,826 21.726,827 2.157,828 75.5,832 317.82,833 155.727,834 24.933,836 61.29,839 155.727,840 379.109,841 24.933,842 16.793,843 31.455,844 93.905,845 70.699,846 24.811,847 27.83,848 294.278,850 317.82,851 180.661,852 61.29,855 294.278,856 73.832,857 11,858 38.377,859 142.283,862 317.82,863 86.223,864 155.727,867 317.82,868 45.03,869 117.62,870 18.011,871 61.29,872 317.82,873 86.223,874 155.727,876 0.589,877 0.351,878 0.212,879 0.119,880 32,881 14,882 0.029,883 2,884 7,885 1.414,886 4.226,887 384.711,888 0.483,889 27,890 177.525,894 22.293,895 8.795,896 3.823,897 3.982,898 82.425,899 20.119,904 1.565,905 4.319,906 18.011,907 559.77,908 53,911 26.371,914 0.201,916 62.992,917 70.604,918 0.251,919 0.603,920 0.758,921 0.831,922 0.853,923 0.874,924 5.263,925 1.939,926 6.196,927 5.936,928 4.779,929 5.338,930 2.028,931 7.093,932 4.72,933 6.495,934 1.857,935 7.8,936 5.465,937 4.443,938 5.278,939 0.325,940 8.146,941 4.365,942 7.833,943 1.648,944 9.508,945 4.662,946 6.441,947 7.644,948 2.018,949 11.336,950 6.336,951 9.214,952 1.331,953 11.278,954 4.576,955 6.957,956 8.481,957 0.268,958 13.272,959 6.845,960 10.634,961 1.309,962 13.091,963 3.638,964 8.435,965 10.329,966 2.149,967 15.986,968 8.302,969 12.084,970 1.176,971 14.933,972 2.941,973 9.341,974 11.569,975 0.188,976 18.269,977 9.205,978 13.557,979 1.112,980 16.797,981 2.814,982 10.629,983 13.22,984 2.37,985 20.836,986 10.478,987 3.429,988 0.846,989 18.678,990 2.709,991 11.706,992 14.633,993 0.125,994 23.254,995 11.553,996 3.194,997 12.66,998 20.572,999 2.137,1000 12.929,1001 16.21,1002 2.65,1003 25.777,1004 12.765,1005 2.943,1006 11.317,1007 22.477,1008 4.714,1009 14.078,1010 17.694,1011 0.082,1012 28.249,1013 13.911,1014 2.574,1015 10.243,1016 24.391,1017 4.601,1018 15.283,1019 19.243,1020 2.964,1021 30.762,1022 15.108,1023 2.266,1024 7.843,1025 26.311,1026 3.942,1027 16.464,1028 20.757,1029 0.054,1030 33.259,1031 16.284,1032 2.106,1033 7.262,1034 28.237,1035 2.917,1036 17.666,1037 22.298,1038 3.298,1039 35.772,1040 17.48,1041 1.996,1042 6.615,1043 30.167,1044 2.806,1045 18.862,1046 23.825,1047 0.035,1048 38.282,1049 18.671,1050 14253,1051 22158,1052 27.164,1053 42.523,1054 62.398,1055 63.666,1056 63.769,1057 61.687,1058 61.664,1059 80.784,1060 7.32,1061 187.307,1062 59.814,1063 5.762,1064 5.839,1065 6.866,1066 5.512,1067 5.429,1068 7.714,1069 2.4,1070 20.497,1071 5.405,1072 15.604,1073 1.56,1074 1.592,1075 1.594,1076 1.542,1077 1.542,1078 2.02,1079 0.183,1080 4.683,1081 1.495,1082 4.209,1083 4.237,1084 4.179,1085 4.127,1086 7.45,1087 4.136,1088 4.097,1089 4.131,1090 4.061,1091 4.013,1092 7.408,1093 4.021,1094 3.788,1095 3.831,1096 3.745,1097 3.632,1098 4.957,1099 3.653,1100 3.741,1101 3.777,1102 3.632,1103 3.577,1104 4.886,1105 3.581,1106 3.522,1107 3.596,1108 3.391,1109 3.355,1110 4.584,1111 3.356,1112 3.493,1113 3.561,1114 3.361,1115 3.297,1116 4.328,1117 3.304,1118 3.311,1119 3.37,1120 3.191,1121 3.119,1122 4.278,1123 3.125,1124 3.202,1125 3.257,1126 3.068,1127 3.075,1128 4.232,1129 3.068,1130 0.121,1131 0.096,1132 0.18,1133 0.111,1134 0.086,1135 4.825,1136 0.118,1137 3.839,1138 0.03,1139 7.187,1140 0.317,1141 4.422,1142 0.085,1143 3.429,1144 4.714,1145 1.2,1146 12.66,1147 3.405,1148 1.964,1149 1.946,1150 2.05,1151 2.05,1152 1.309,1153 2.051,1154 1.931,1155 1.905,1156 2.027,1157 2.024,1158 1.204,1159 2.026,1160 1.787,1161 1.746,1162 1.959,1163 1.957,1164 1.173,1165 1.961,1166 1.661,1167 1.615,1168 1.823,1169 1.842,1170 1.052,1171 1.841,1172 1.581,1173 1.527,1174 1.775,1175 1.78,1176 0.969,1177 1.781,1178 1.451,1179 1.376,1180 1.674,1181 1.661,1182 0.837,1183 1.667,1184 1.299,1185 1.262,1186 1.467,1187 1.61,1188 0.647,1189 1.546,1190 1.187,1191 1.128,1192 1.417,1193 1.41,1194 0.552,1195 1.416,1196 4.394,1198 5.759,1199 3.434,1200 7.307,1201 5.938,1202 8.947,1203 8.138,1204 10.641,1206 4.126,1212 3.644,1213 2.566,1214 6.377,1216 0.074,1217 2.154,1222 40.552,1223 94.602,1224 227.108,1225 285.549,1226 313.059,1227 321.059,1228 329.059,1229 61.165,1230 9.416,1231 72.26,1232 72.26,1233 41,1234 13.215,1235 4.585,1236 3.807,1237 46.46,1238 140,1239 119,1240 0.181,1241 241.96,1242 416.53,1243 582.143,1244 191113,1246 24.104,1247 0.689,1248 0.57,1249 24.104,1250 19.953,1251 17.008,1252 0.425,1253 0.301,1254 11.864,1255 16.368,1256 11.56,1257 9.521,1258 17.008,1259 12.038,1260 15.892,1261 0.269,1262 0.162,1263 15.892,1264 9.584,1265 13.639,1266 0.16,1267 0.082,1268 13.639,1269 6.994,1270 12.797,1271 0.102,1272 0.043,1273 12.797,1274 5.467,1275 10.619,1276 0.064,1277 0.023,1278 10.619,1279 3.864,1280 0.271,1281 106.451,1282 0.192,1283 30.705,1284 0.538,1285 198,1286 528.475,1287 214.27,1288 509.984,1289 710.54,1290 480,1291 243,1292 531.818,1293 260.744,1294 541.512,1295 807.73,1296 510,1297 5}
{0 CHEMBL939,1 1.765,2 12.935,3 4.203,4 17.668,5 117.539,6 8.126,7 0.5,8 4.125,9 4.233,10 3.763,11 3.608,12 5.232,13 3.614,14 4.683,15 4.851,16 4.108,17 3.975,18 5.763,19 3.967,20 4.893,21 5.085,22 4.228,23 4.114,24 6.01,25 4.075,26 4.91,27 5.131,28 4.063,29 4.094,30 5.891,31 4.01,32 4.924,33 5.162,34 3.998,35 4.066,36 5.867,37 3.975,38 4.855,39 5.07,40 4.024,41 4.022,42 5.847,43 3.955,44 4.822,45 5.037,46 4.035,47 4,48 5.867,49 3.93,50 4.743,51 4.957,52 4.007,53 3.938,54 5.802,55 3.875,56 0.111,57 0.856,58 10.201,59 4.964,60 8.62,61 6.061,62 0.52,63 1.327,64 22.65,65 8.032,66 32.965,67 9.846,68 0.832,69 1.556,70 32.057,71 10.206,72 61.553,73 12.9,74 0.668,75 1.527,76 32.189,77 10.914,78 50.112,79 14.647,80 0.769,81 1.436,82 34.793,83 11.224,84 55.907,85 15.459,86 0.703,87 1.383,88 30.31,89 10.185,90 51.652,91 13.425,92 0.773,93 1.377,94 29.541,95 9.526,96 53.011,97 12.641,98 0.507,99 1.332,100 28.621,101 8.847,102 41.222,103 11.646,104 11,105 46,106 0.291,107 0.618,108 0.788,109 0.862,110 0.862,111 0.862,112 3.472,113 0.926,114 -4.14,115 -4.08,116 -3.86,118 40,120 1,123 1,124 6,136 5,137 1,138 5,140 1,141 1,142 1,161 2,163 1,164 7,166 1,168 3,169 3,172 2,173 5,177 2,179 3,182 2,183 4,185 1,187 2,189 4,192 2,193 3,195 1,200 5,202 1,203 4,205 1,208 4,210 2,211 7,216 1,217 2,220 4,226 1,228 2,229 3,231 1,235 2,238 1793,239 21.3,240 21.3,241 21.3,242 21.3,243 21.3,244 19.212,245 28.856,246 12.772,247 22.231,248 16.748,249 16.748,250 16.748,251 16.748,252 16.748,253 13.558,254 41.089,255 6.022,256 18.21,257 4.016,258 2.038,259 1.007,260 0.559,261 0.559,262 0.559,263 4.172,264 1,266 1,267 1,268 866,269 3.24,272 375.27,276 143.891,279 2.067,280 34.732,283 1,284 1,285 1,286 1,287 0.5,288 1,289 1,290 0.93,291 68.833,292 401,293 4.575,294 3.319,295 6.586,296 4.099,297 3.135,298 4.513,299 0.86,300 10.534,301 3.023,302 4.218,303 3.281,304 6.054,305 3.76,306 2.835,307 3.872,308 0.86,309 8.734,310 2.605,311 3.99,312 2.944,313 5.946,314 3.569,315 2.645,316 3.493,317 0.86,318 8.294,319 2.43,320 3.569,321 2.884,322 5.361,323 3.436,324 2.52,325 2.926,326 0.8,327 6.965,328 2.305,329 3.52,330 2.475,331 5.34,332 3.155,333 2.228,334 2.674,335 0.4,336 6.774,337 2.032,338 3.334,339 2.316,340 5.011,341 2.867,342 1.925,343 2.521,345 5.763,346 1.803,347 2.999,348 2.162,349 4.505,350 2.589,351 1.675,352 2.22,354 4.444,355 1.524,356 2.82,357 2.123,358 4.042,359 2.481,360 1.561,361 1.949,363 3.523,364 1.433,365 2.767,366 1.897,367 3.948,368 2.319,369 1.414,370 1.819,372 3.451,373 1.23,374 2.581,375 1.618,376 3.696,377 2.29,378 1.414,379 1.587,381 3.144,382 1.217,383 2.312,384 1.367,385 3.448,386 2.091,387 1.174,388 1.3,389 2.612,390 1.067,391 2,392 1.256,393 3.247,394 1.952,395 1,396 1,397 2.136,398 0.946,399 1.822,400 0.969,401 3.201,402 1.535,403 0.632,404 0.729,405 1.449,406 0.565,407 1.555,408 0.825,409 2.898,410 1.27,411 0.391,412 0.416,413 0.737,414 0.34,415 1.471,416 0.734,417 2.812,418 1.162,419 0.282,420 0.34,421 0.598,422 0.236,423 14.6,424 0.471,425 0.623,426 0.02,427 38.75,428 1.25,429 17.5,430 0.565,431 21.25,432 0.685,433 26.928,434 0.869,435 34.6,436 0.629,437 29.763,438 0.96,439 7.851,440 0.253,441 7.285,442 0.235,443 0.103,445 0.301,448 1,449 0.775,450 1.345,451 0.626,452 1.16,453 0.585,454 0.989,455 1.168,456 0.98,457 0.792,458 0.838,459 0.738,460 0.833,461 1.016,462 1.056,463 0.905,464 0.952,465 0.808,466 0.943,467 0.783,468 0.984,469 0.87,470 1.054,471 0.73,472 1.065,473 0.707,474 0.736,475 0.809,476 0.899,477 0.482,478 0.916,479 0.933,480 0.895,481 0.777,482 0.917,483 0.705,484 0.942,485 0.928,486 0.86,487 0.854,488 0.838,489 0.69,490 0.915,491 0.962,492 1.09,493 1.043,494 1.073,495 0.862,496 1.026,497 5.5,498 0.177,499 3.111,500 1.563,501 1.782,502 0.736,503 0.625,504 0.531,505 0.32,506 0.284,507 13808,508 42102,509 2.104,510 43.6,512 20,514 1,515 1,518 2,520 1.737,521 2,522 3.648,523 -0.297,525 1,528 97.073,529 1.765,530 3.743,531 4.774,532 5.222,533 5.222,534 5.222,535 3.112,536 4.696,537 4.92,538 3.818,539 1775.43,540 8.602,541 25978.8,543 1,545 1,546 317.975,547 1.277,548 4.899,549 0.162,550 0.006,551 0.068,552 0.033,553 0.043,554 0.018,555 0.016,556 0.014,557 0.009,558 0.008,559 0.376,560 0.33,561 1,562 0.646,563 162.713,564 -0.052,565 -0.241,566 0.04,567 -0.139,568 -0.014,569 -0.038,570 -0.17,571 0.02,572 0.008,573 0.11,574 -0.016,575 0.087,576 -0.011,577 -0.043,578 0.013,579 0.016,580 0.095,581 0.007,582 0.019,583 -0.051,584 -0.011,585 -0.086,586 0.002,587 -0.076,588 0.081,589 0.061,590 0.074,591 0.064,592 0.075,593 0.092,594 -0.025,595 -0.026,596 0.053,597 0.042,598 -0.017,599 0.039,600 -0.003,601 0.031,602 0.039,603 0.111,604 0.023,605 0.05,606 -0.088,607 -0.116,608 -0.027,609 -0.096,610 -0.012,611 -0.053,612 2.141,613 5.468,614 0.71,615 36.081,616 1.017,617 1.136,618 2.907,619 8.449,620 0.665,621 3.555,622 3.85,623 4.111,624 4.344,625 4.605,626 4.644,627 4.762,628 4.898,629 5.024,630 5.063,631 7.531,632 0.641,633 446.95,634 3.555,635 5.081,636 5.922,637 6.783,638 7.642,639 8.511,640 9.377,641 10.251,642 11.123,643 12.001,644 7.3,647 1,652 1,654 2,656 2,657 6,658 2,662 6,664 17,674 1,677 2,678 2,679 55,680 17,681 2,682 34,684 58,685 22,686 14,687 7,688 5,690 4,691 5,692 1,700 1,702 14,703 8,715 1,716 1,718 24,719 8,720 1,721 9,722 1,726 4,729 0.75,730 3,740 1,745 4,749 1,763 1,765 1,766 3,770 1,771 1,772 1,774 31,780 7,781 1,782 3,785 1,794 2,795 5.5,799 1,800 2,801 15.5,802 10.136,803 6.944,804 3.258,805 3.35,806 1.427,807 0.977,808 7.404,809 11.2,810 3.773,811 4.357,812 4.936,813 5.514,814 6.126,815 6.428,816 6.814,817 7.249,818 7.671,819 7.846,820 0.889,821 48,822 11.46,823 4.82,824 7.789,825 21.807,826 17.542,827 2.289,828 70.944,831 1,832 270.735,833 122.422,834 54.706,835 39.149,836 33,837 14.96,839 122.422,840 342.884,841 69.666,842 10.883,843 22.629,844 47.381,845 56.342,846 82.336,847 17.288,848 258.964,849 39.149,850 270.735,851 177.128,852 47.96,853 39.149,855 262.153,856 45.542,857 11,858 54.527,859 89.03,860 72.72,862 285.695,863 87.706,864 161.571,867 270.735,868 55.539,869 70.007,870 18.011,871 120.679,872 270.735,873 102.666,874 161.571,876 0.571,877 0.336,878 0.178,879 0.1,880 21,881 9,882 0.138,883 8,884 1,885 1.091,886 4.318,887 272.759,888 0.091,889 22,890 149.58,894 22.028,895 10.42,896 5.547,897 1.454,898 102.666,899 9.546,900 8.666,904 1.968,906 18.011,907 534.972,908 42.5,916 55.945,917 62.472,918 0.305,919 0.647,920 0.826,921 0.903,922 0.903,923 0.903,924 4.999,925 1.561,926 5.883,927 4.444,928 4.533,929 5.043,930 1.905,931 6.658,932 4.377,933 6.181,934 1.414,935 7.418,936 3.523,937 4.007,938 4.856,939 0.325,940 7.476,941 3.767,942 7.478,943 1.414,944 9.052,945 3.451,946 6.089,947 7.255,948 1.567,949 10.569,950 5.815,951 8.812,952 1.174,953 10.746,954 3.144,955 6.399,956 7.925,957 0.268,958 12.224,959 6.05,960 10.183,961 1,962 12.479,963 2.612,964 7.918,965 9.801,966 1.31,967 14.822,968 7.542,969 11.577,970 0.632,971 14.238,972 2.136,973 8.631,974 10.882,975 0.188,976 16.84,977 8.196,978 12.992,979 0.391,980 16.017,981 1.449,982 9.91,983 12.538,984 1.087,985 19.264,986 9.447,987 3.135,988 0.282,989 17.81,990 0.737,991 10.825,992 13.825,993 0.125,994 21.451,995 10.316,996 2.835,997 10.534,998 19.614,999 0.598,1000 12,1001 15.386,1002 0.89,1003 23.814,1004 11.463,1005 2.645,1006 8.734,1007 21.428,1008 4.513,1009 13.016,1010 16.777,1011 0.082,1012 26.082,1013 12.442,1014 2.52,1015 8.294,1016 23.249,1017 3.872,1018 14.15,1019 18.297,1020 0.718,1021 28.427,1022 13.549,1023 2.228,1024 6.965,1025 25.077,1026 3.493,1027 15.217,1028 19.74,1029 0.054,1030 30.734,1031 14.583,1032 1.925,1033 6.774,1034 26.91,1035 2.926,1036 16.337,1037 21.244,1038 0.571,1039 33.076,1040 15.677,1041 1.675,1042 5.763,1043 28.749,1044 2.674,1045 17.431,1046 22.714,1047 0.035,1048 35.404,1049 16.741,1050 13112,1051 23153,1052 23.057,1053 36.557,1054 49.568,1055 51.362,1056 51.011,1057 49.795,1058 49.662,1059 62.717,1060 7.56,1061 138.316,1062 45.509,1063 5.575,1064 5.319,1065 6.388,1066 5.203,1067 5.135,1068 7.513,1069 1.72,1070 17.471,1071 5.023,1072 13.097,1073 1.458,1074 1.511,1075 1.5,1076 1.465,1077 1.461,1078 1.845,1079 0.222,1080 4.068,1081 1.339,1082 4.079,1083 4.107,1084 4.073,1085 3.977,1086 8.201,1087 3.991,1088 3.889,1089 3.909,1090 3.979,1091 3.819,1092 5.104,1093 3.819,1094 3.82,1095 3.884,1096 3.697,1097 3.61,1098 4.861,1099 3.621,1100 3.558,1101 3.603,1102 3.489,1103 3.346,1104 4.755,1105 3.362,1106 3.432,1107 3.482,1108 3.341,1109 3.229,1110 4.626,1111 3.246,1112 3.167,1113 3.241,1114 3.276,1115 2.941,1116 4.466,1117 2.944,1118 3.111,1119 3.206,1120 3.021,1121 2.927,1122 4.368,1123 2.91,1124 3.108,1125 3.174,1126 2.963,1127 2.882,1128 4.092,1129 2.89,1130 0.135,1131 0.098,1132 0.194,1133 0.121,1134 0.092,1135 4.575,1136 0.133,1137 3.319,1138 0.025,1139 6.586,1140 0.31,1141 4.099,1142 0.089,1143 3.135,1144 4.513,1145 0.86,1146 10.534,1147 3.023,1148 2.005,1149 1.984,1150 2.056,1151 2.126,1152 1.292,1153 2.106,1154 1.855,1155 1.835,1156 1.975,1157 1.993,1158 1.182,1159 1.991,1160 1.754,1161 1.691,1162 1.923,1163 1.946,1164 1.069,1165 1.945,1166 1.507,1167 1.452,1168 1.775,1169 1.742,1170 1.031,1171 1.75,1172 1.354,1173 1.309,1174 1.594,1175 1.616,1176 0.825,1177 1.604,1178 1.153,1179 1.064,1180 1.513,1181 1.407,1182 0.59,1183 1.429,1184 1.127,1185 1.047,1186 1.391,1187 1.376,1188 0.498,1189 1.417,1190 1.021,1191 0.961,1192 1.258,1193 1.274,1194 0.377,1195 1.259,1196 4.234,1198 5.533,1200 7.036,1202 8.634,1204 10.283,1206 1.6,1207 5.895,1208 13.468,1212 5.899,1213 3.173,1214 16.905,1217 2.369,1222 35.236,1223 97.073,1224 205.859,1225 262.591,1226 287.22,1227 287.22,1228 287.22,1229 55.025,1230 7.85,1231 68.74,1232 68.74,1233 24,1234 12.54,1235 4.17,1236 3.248,1237 49.422,1238 137,1239 152,1240 0.171,1241 217.506,1242 377.55,1243 522.475,1244 30787,1245 3.6,1246 21.631,1247 0.698,1248 0.58,1249 21.261,1250 17.992,1251 15.135,1252 0.445,1253 0.309,1254 9.925,1255 14.004,1256 9.718,1257 7.97,1258 15.013,1259 10.493,1260 13.173,1261 0.286,1262 0.164,1263 13.085,1264 7.56,1265 11.237,1266 0.187,1267 0.09,1268 10.838,1269 5.373,1270 9.019,1271 0.119,1272 0.048,1273 9.188,1274 3.622,1275 7.584,1276 0.077,1277 0.025,1278 7.494,1279 2.445,1280 0.272,1281 99.806,1282 0.208,1283 29.48,1284 0.46,1285 160,1286 572.789,1287 196.338,1288 540.013,1289 716.72,1290 508,1291 186,1292 488.128,1293 220.188,1294 494.037,1295 724.55,1296 463,1297 5}
{0 CHEMBL941,1 1.468,2 16.73,3 4.221,4 17.813,5 146.651,6 7.26,7 0.585,8 4.309,9 4.443,10 3.863,11 3.85,12 5.388,13 3.826,14 4.838,15 5.033,16 4.197,17 4.233,18 5.866,19 4.187,20 5.077,21 5.286,22 4.239,23 4.395,24 6.061,25 4.31,26 5.205,27 5.466,28 4.145,29 4.367,30 6.139,31 4.247,32 5.13,33 5.402,34 4.135,35 4.291,36 6.073,37 4.196,38 4.967,39 5.186,40 4.111,41 4.268,42 6.004,43 4.179,44 5.016,45 5.264,46 4.026,47 4.248,48 5.971,49 4.136,50 4.9,51 5.125,52 3.986,53 4.166,54 5.937,55 4.067,56 0.042,57 1.057,58 14.153,59 5.707,60 10.591,61 7.967,62 0.335,63 1.689,64 26.501,65 9.172,66 28.678,67 13.227,68 0.267,69 2.03,70 34.233,71 12.408,72 36.8,73 17.809,74 0.379,75 2.115,76 41.833,77 14.546,78 57.714,79 21.321,80 0.4,81 1.949,82 39.659,83 12.896,84 56.06,85 19.119,86 0.404,87 1.798,88 31.238,89 11.142,90 47.554,91 15.945,92 0.357,93 1.761,94 34.142,95 12.405,96 47.321,97 17.862,98 0.328,99 1.59,100 29.721,101 10.944,102 50.027,103 15.574,104 10,105 56,106 0.229,107 0.549,108 0.732,109 0.824,110 0.859,111 0.859,112 3.642,113 0.911,114 -4.14,115 -4.08,116 -3.86,118 42.6,119 1,123 1,124 5,136 10,137 4,138 2,139 3,140 1,144 1,149 1,161 11,163 1,164 7,166 3,168 5,169 12,172 1,173 6,177 5,179 7,182 1,183 13,186 1,187 6,189 3,193 9,197 3,200 5,202 1,203 6,205 4,207 2,208 11,210 1,211 3,214 1,216 2,217 13,219 2,220 5,224 4,226 11,229 8,233 2,235 6,238 2915,239 25.256,240 25.256,241 25.256,242 25.256,243 25.256,244 22.252,245 30.255,246 15.065,247 25.762,248 20.276,249 20.276,250 20.276,251 20.276,252 20.276,253 15.83,254 48.345,255 7.248,256 21.073,257 4.619,258 2.571,259 1.397,260 0.809,261 0.581,262 0.581,263 4.35,267 1,268 1361,269 3.317,272 678.363,279 2.71,280 24.81,283 1,284 0.83,285 1,286 0.8,287 0.5,288 1,289 1,290 0.88,291 78.5,292 619,293 4.315,294 3.573,295 6.185,296 3.93,297 2.959,298 3.96,299 1.058,300 9.244,301 2.89,302 4.24,303 3.072,304 6.115,305 3.858,306 2.876,307 3.87,308 0.916,309 8.969,310 2.818,311 4.165,312 3.043,313 6.033,314 3.787,315 2.798,316 3.759,317 0.8,318 8.628,319 2.765,320 3.82,321 2.87,322 5.588,323 3.604,324 2.658,325 3.263,326 0.4,327 7.698,328 2.52,329 3.74,330 2.687,331 5.313,332 3.344,333 2.392,334 3.117,335 0.172,336 6.87,337 2.27,338 3.544,339 2.462,340 5.204,341 3.267,342 2.32,343 2.784,345 6.483,346 2.183,347 3.434,348 2.335,349 5.127,350 3.087,351 2.123,352 2.551,354 6.246,355 2.046,356 3.203,357 2.27,358 4.806,359 2.861,360 1.928,361 2.486,363 5.438,364 1.786,365 3.033,366 1.869,367 4.413,368 2.731,369 1.773,370 2.052,372 4.415,373 1.697,374 2.857,375 1.829,376 4.15,377 2.412,378 1.441,379 2,381 3.703,382 1.398,383 2.744,384 1.543,385 4.047,386 2.282,387 1.265,388 1.806,389 3.364,390 1.276,391 2.709,392 1.262,393 3.541,394 2.207,395 1.238,396 1.75,397 2.792,398 1.197,399 2.5,400 1.146,401 3.429,402 2,403 1,404 1.5,405 2.387,406 1,407 2.5,408 1,409 3.414,410 1.967,411 1,412 1.5,413 2.275,414 0.965,415 2.5,416 1,417 3.414,418 1.961,419 1,420 1.5,421 2.275,422 0.958,423 17.633,424 0.477,425 0.814,426 0.022,427 51.25,428 1.385,429 26.5,430 0.716,431 24.75,432 0.669,433 29.967,434 0.81,435 38.767,436 0.57,437 41.044,438 1.109,439 10.312,440 0.279,441 7.718,442 0.209,443 0.076,445 0.301,449 0.848,450 1.433,451 0.808,452 1.104,453 0.626,454 0.972,455 0.991,456 0.994,457 0.919,458 0.878,459 0.591,460 0.877,461 1.061,462 1.208,463 1.096,464 1.165,465 0.867,466 1.137,467 0.973,468 1.042,469 0.968,470 1.04,471 0.971,472 1.011,473 1.198,474 0.876,475 0.825,476 0.754,477 1.213,478 0.747,479 0.988,480 0.96,481 1.076,482 1.036,483 1.053,484 1.059,485 0.958,486 0.93,487 0.951,488 0.966,489 1.182,490 0.964,491 1.025,492 1.05,493 0.997,494 1.062,495 1.329,496 1.041,497 7.5,498 0.206,499 3.556,500 1.875,501 1.791,502 0.938,503 0.726,504 0.668,505 0.358,506 0.262,507 25355,508 58418,509 2.133,510 45.6,511 3,512 23,514 3,515 2,520 1.776,521 2.037,522 4.006,523 0.135,528 99.834,529 1.468,530 3.516,531 4.69,532 5.278,533 5.506,534 5.506,535 3.506,536 4.703,537 5.178,538 4.179,539 2783.16,540 9.086,541 48375,546 413.947,547 1.241,548 5.159,549 0.183,550 0.006,551 0.063,552 0.033,553 0.037,554 0.018,555 0.015,556 0.015,557 0.008,558 0.007,559 0.385,560 0.33,561 0.75,562 0.435,563 208.703,564 -0.022,565 -0.243,566 0.063,567 -0.075,568 -0.021,569 -0.009,570 0.046,571 0.146,572 0.024,573 0.089,574 0.102,575 0.061,576 -0.097,577 -0.145,578 -0.151,579 -0.173,580 -0.002,581 -0.168,582 0.021,583 -0.089,584 0.03,585 -0.055,586 0.075,587 -0.019,588 -0.065,589 0.072,590 0.198,591 0.214,592 0.019,593 0.235,594 0.047,595 0.098,596 -0.115,597 -0.056,598 -0.036,599 -0.097,600 0.03,601 0.03,602 0.033,603 0.04,604 -0.028,605 0.037,606 0.066,607 -0.067,608 -0.022,609 -0.052,610 0.048,611 -0.049,612 1.809,613 5.93,614 0.811,615 52.079,616 0.995,617 1.128,618 2.907,619 8.452,620 0.671,621 3.738,622 4.043,623 4.277,624 4.5,625 4.754,626 4.736,627 4.868,628 4.997,629 5.069,630 5.165,631 9.44,632 0.635,633 493.67,634 3.738,635 5.273,636 6.107,637 6.965,638 7.812,639 8.671,640 9.522,641 10.381,642 11.235,643 12.095,644 10.3,647 2,651 1,652 1,654 3,657 13,658 3,662 8,664 24,670 1,674 1,679 68,680 25,681 2,682 41,684 72,685 29,686 21,687 5,688 7,689 1,690 5,691 5,694 1,702 22,703 7,706 1,709 1,712 1,718 31,719 8,720 2,721 8,726 7,729 1,730 1,739 1,740 1,745 5,763 2,766 5,770 2,774 37,780 5,781 2,785 2,795 1.5,798 1,801 18.167,802 12.75,803 8.083,804 3.987,805 4.413,806 1.525,807 1.005,808 7.739,809 12.824,810 4.007,811 4.575,812 5.103,813 5.635,814 6.188,815 6.321,816 6.701,817 7.07,818 7.413,819 7.753,820 1,821 56,822 13.659,823 5.724,824 7.595,825 26.45,826 21.544,827 2.095,828 77.5,832 341.362,833 177.271,834 92.627,836 25.145,839 177.271,840 366.507,841 92.627,842 17.222,843 28.539,844 94.762,845 115.519,846 72.414,847 1.899,848 306.049,850 341.362,851 269.898,852 25.145,855 341.362,856 25.145,858 93.422,859 126.119,860 50.357,862 341.362,863 117.772,864 177.271,867 341.362,868 38.145,869 145.375,870 36.022,871 75.502,872 341.362,873 117.772,874 177.271,876 0.579,877 0.33,878 0.172,879 0.1,880 26,881 11,882 0.097,883 7,885 1,886 4.937,887 345.14,889 30,890 184.75,894 24.883,895 11.508,896 6.507,898 117.772,899 24.532,900 13.135,904 6.558,906 36.022,907 636.405,908 54,911 12.93,914 -0.143,916 67.643,917 76.68,918 0.241,919 0.578,920 0.771,921 0.867,922 0.905,923 0.905,924 5.231,925 1.928,926 6.071,927 6.246,928 4.727,929 5.263,930 1.796,931 6.821,932 4.656,933 6.413,934 1.773,935 7.59,936 5.438,937 4.205,938 4.89,939 0.57,940 7.554,941 4.108,942 7.694,943 1.441,944 9.202,945 4.415,946 6.271,947 7.375,948 1.605,949 10.61,950 6.137,951 9.003,952 1.265,953 10.868,954 3.703,955 6.538,956 7.786,957 0.581,958 12.137,959 6.39,960 10.342,961 1.238,962 12.568,963 3.364,964 8.057,965 9.747,966 1.567,967 14.679,968 7.872,969 11.701,970 1,971 14.29,972 2.792,973 8.703,974 10.551,975 0.515,976 16.554,977 8.511,978 13.075,979 1,980 16.03,981 2.387,982 9.976,983 12.256,984 1.582,985 18.895,986 9.751,987 2.959,988 1,989 17.781,990 2.275,991 10.818,992 13.281,993 0.441,994 20.936,995 10.586,996 2.876,997 9.244,998 19.542,999 2.275,1000 11.974,1001 14.844,1002 1.624,1003 23.192,1004 11.714,1005 2.798,1006 8.969,1007 21.311,1008 3.96,1009 12.919,1010 16,1011 0.373,1012 25.314,1013 12.648,1014 2.658,1015 8.628,1016 23.086,1017 3.87,1018 14.02,1019 17.479,1020 1.682,1021 27.535,1022 13.725,1023 2.392,1024 7.698,1025 24.865,1026 3.759,1027 15.019,1028 18.715,1029 0.314,1030 29.696,1031 14.711,1032 2.32,1033 6.87,1034 26.65,1035 3.263,1036 16.094,1037 20.144,1038 1.752,1039 31.904,1040 15.765,1041 2.123,1042 6.483,1043 28.437,1044 3.117,1045 17.122,1046 21.429,1047 0.264,1048 34.085,1049 16.777,1050 23469,1051 35900,1052 28.027,1053 45.631,1054 61.129,1055 61.824,1056 61.655,1057 60.676,1058 60.636,1059 79.069,1060 6.694,1061 168.484,1062 58.468,1063 5.315,1064 5.573,1065 5.987,1066 5.001,1067 4.959,1068 6.96,1069 2.117,1070 15.558,1071 4.89,1072 14.663,1073 1.491,1074 1.508,1075 1.504,1076 1.48,1077 1.479,1078 1.929,1079 0.163,1080 4.109,1081 1.426,1082 4.028,1083 4.068,1084 3.978,1085 3.932,1086 7.429,1087 3.936,1088 3.942,1089 3.983,1090 3.891,1091 3.852,1092 5.049,1093 3.855,1094 3.893,1095 3.932,1096 3.833,1097 3.814,1098 4.842,1099 3.816,1100 3.794,1101 3.855,1102 3.684,1103 3.604,1104 4.74,1105 3.614,1106 3.667,1107 3.724,1108 3.611,1109 3.505,1110 4.684,1111 3.524,1112 3.412,1113 3.467,1114 3.335,1115 3.214,1116 4.378,1117 3.235,1118 3.242,1119 3.335,1120 3.084,1121 3.036,1122 4.052,1123 3.031,1124 3.111,1125 3.206,1126 2.962,1127 2.941,1128 3.963,1129 2.91,1130 0.105,1131 0.087,1132 0.151,1133 0.096,1134 0.072,1135 4.315,1136 0.097,1137 3.573,1138 0.026,1139 6.185,1140 0.225,1141 3.93,1142 0.07,1143 2.959,1144 3.96,1145 1.058,1146 9.244,1147 2.89,1148 1.957,1149 1.929,1150 2.065,1151 2.075,1152 1.323,1153 2.073,1154 1.918,1155 1.886,1156 2.028,1157 2.05,1158 1.16,1159 2.045,1160 1.877,1161 1.846,1162 1.979,1163 1.995,1164 1.125,1165 1.994,1166 1.752,1167 1.681,1168 1.95,1169 1.936,1170 1.027,1171 1.946,1172 1.608,1173 1.556,1174 1.728,1175 1.794,1176 0.825,1177 1.779,1178 1.344,1179 1.291,1180 1.591,1181 1.588,1182 0.735,1183 1.587,1184 1.223,1185 1.136,1186 1.546,1187 1.48,1188 0.691,1189 1.503,1190 1.153,1191 1.064,1192 1.513,1193 1.376,1194 0.619,1195 1.429,1196 4.419,1198 5.727,1200 7.225,1202 8.801,1204 10.416,1206 4.158,1212 5.237,1213 6.294,1217 4.8,1222 43.186,1223 99.834,1224 239.113,1225 318.954,1226 358.928,1227 374.438,1228 374.438,1229 55.749,1230 8.411,1231 86.28,1232 86.28,1233 30,1234 12.647,1235 4.7,1236 3.807,1237 57.104,1238 209,1239 228,1240 0.128,1241 265.482,1242 456.33,1243 639.535,1244 68589,1246 25.614,1247 0.692,1248 0.573,1249 25.614,1250 21.185,1251 18.03,1252 0.44,1253 0.304,1254 12.293,1255 17.418,1256 11.937,1257 9.945,1258 18.03,1259 12.457,1260 16.198,1261 0.289,1262 0.168,1263 16.198,1264 9.392,1265 13.45,1266 0.189,1267 0.093,1268 13.45,1269 6.573,1270 10.811,1271 0.121,1272 0.048,1273 10.811,1274 4.278,1275 9.213,1276 0.08,1277 0.027,1278 9.213,1279 3.137,1280 0.21,1281 112.246,1282 0.189,1283 34.613,1284 0.329,1285 194,1286 510.627,1287 209.481,1288 506.189,1289 701.38,1290 476,1291 224,1292 521.411,1293 240.37,1294 535.987,1295 775.58,1296 502,1297 5}