"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.005","C.013","C.024","C.025","C.026","C.027","C.028","C.034","CATS2D_01_AA","CATS2D_01_DD","CATS2D_01_LL","CATS2D_02_AA","CATS2D_02_AL","CATS2D_02_DA","CATS2D_02_DL","CATS2D_02_LL","CATS2D_03_AA","CATS2D_03_AL","CATS2D_03_DA","CATS2D_03_DD","CATS2D_03_DL","CATS2D_03_LL","CATS2D_04_AA","CATS2D_04_AL","CATS2D_04_DA","CATS2D_04_DD","CATS2D_04_DL","CATS2D_04_LL","CATS2D_05_AA","CATS2D_05_AL","CATS2D_05_DA","CATS2D_05_DL","CATS2D_05_LL","CATS2D_06_AA","CATS2D_06_AL","CATS2D_06_DA","CATS2D_06_DL","CATS2D_06_LL","CATS2D_07_AA","CATS2D_07_AL","CATS2D_07_DA","CATS2D_07_DL","CATS2D_07_LL","CATS2D_08_AL","CATS2D_08_DA","CATS2D_08_DL","CATS2D_08_LL","CATS2D_09_AA","CATS2D_09_AL","CATS2D_09_DL","CATS2D_09_LL","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","CSI","DBI","D.Dtr05","D.Dtr06","D.Dtr09","D.Dtr10","DECC","DELS","Depressant.80","DLS_04","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.ed.","Eig03_EA.ri.","Eig04_AEA.bo.","Eig04_AEA.dm.","Eig04_AEA.ed.","Eig04_AEA.ri.","Eig04_EA","Eig04_EA.bo.","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.ed.","Eig05_EA.ri.","Eig06_AEA.bo.","Eig06_AEA.dm.","Eig06_AEA.ed.","Eig06_AEA.ri.","Eig06_EA","Eig06_EA.bo.","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.ed.","Eig07_EA.ri.","Eig08_AEA.bo.","Eig08_AEA.dm.","Eig08_AEA.ed.","Eig08_AEA.ri.","Eig08_EA","Eig08_EA.bo.","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.ed.","Eig09_EA.ri.","Eig10_AEA.bo.","Eig10_AEA.dm.","Eig10_AEA.ed.","Eig10_AEA.ri.","Eig10_EA","Eig10_EA.bo.","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.dm.","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.dm.","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.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.049","H.050","H.051","HDcpx","HNar","HVcpx","Hy","Hypertens.50","Hypertens.80","Hypnotic.80","IAC","IC0","IC1","IC2","IC3","IC4","IC5","ICR","IDDE","IDDM","IDE","IDET","IDM","IDMT","Infective.50","Inflammat.50","Inflammat.80","ISIZ","IVDE","IVDM","JGI1","JGI10","JGI2","JGI3","JGI4","JGI5","JGI6","JGI7","JGI8","JGI9","JGT","LLS_01","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.067","N.072","N.073","N.074","N.075","NaaaC","NaaCH","NaaN","NaaNH","NaaO","NaasC","nAB","nArCN","nArOR","nArX","nAT","nBM","nBnz","nBO","nBR","nBT","nC","nCar","nCb.","nCbH","nCconj","nCIC","nCIR","nCL","nCp","nCRX3","nCsp","nCsp2","nCsp3","nDB","NddssS","NdO","NdssC","Neoplastic.50","Neoplastic.80","nF","nFuranes","nH","nHAcc","nHDon","nHet","nHM","nIsoxazoles","nN","NNRS","nO","nPyridines","nPyrroles","nR05","nR06","nR09","nR10","NRS","nS","NsBr","NsCH3","NsCl","NsF","nSK","nSO2N","NssNH","NssO","NssssC","nTB","NtN","NtsC","nX","O.","O.058","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_0d","Psi_e_1","Psi_e_A","Psi_i_0","Psi_i_0d","Psi_i_1","Psi_i_1d","Psi_i_A","Psi_i_s","Psi_i_t","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_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_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","PW2","PW3","PW4","PW5","Qindex","Ram","RBF","RBN","Rbrid","RCI","RDCHI","RDSQ","RFD","Rperim","S0K","S.110","S1K","S2K","S3K","SaaaC","SAacc","SaaCH","SaaN","SaaNH","SaaO","SaasC","SAdon","SAtot","SCBO","SddssS","SdO","SdssC","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","SRW04","SRW05","SRW06","SRW07","SRW08","SRW09","SRW10","SsBr","SsCH3","SsCl","SsF","SssNH","SssO","SssssC","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 2.183,2 10.519,3 3.971,4 15.767,5 90.752,6 11.319,7 0.552,8 3.785,9 3.839,10 3.806,11 3.377,12 5.09,13 3.394,14 4.318,15 4.387,16 4.215,17 3.732,18 6.271,19 3.767,20 4.493,21 4.596,22 4.214,23 3.824,24 6.053,25 3.819,26 4.556,27 4.666,28 4.31,29 3.694,30 6.134,31 3.758,32 4.535,33 4.66,34 4.215,35 3.431,36 6.728,37 3.572,38 4.214,39 4.371,40 3.747,41 3.282,42 5.885,43 3.326,44 4.083,45 4.215,46 3.757,47 3.261,48 5.695,49 3.32,50 3.999,51 4.083,52 3.769,53 3.266,54 5.961,55 3.307,56 0.361,57 0.753,58 3.023,59 3.644,60 66,61 2.471,62 1.123,63 1.504,64 5.535,65 5.932,66 181.945,67 4.27,68 1.114,69 1.25,70 14.478,71 8.013,72 146.919,73 6.526,74 1.279,75 1.487,76 18.719,77 8.824,78 227.04,79 5.389,80 1.928,81 1.311,82 17.607,83 6.975,84 347.178,85 4.342,86 1.117,87 0.911,88 12.544,89 5.243,90 152.134,91 3.748,92 0.884,93 0.771,94 9.679,95 4.729,96 141.603,97 3.392,98 0.883,99 0.742,100 10.949,101 4.934,102 157.152,103 3.59,104 51,105 44,106 0.387,107 0.651,108 0.766,109 0.881,110 0.891,111 0.891,112 3.34,113 0.943,114 -4.44,115 -4.37,116 -4.12,118 43.2,121 1,122 8,123 2,124 2,127 2,129 1,130 7,131 1,132 3,133 3,135 9,136 1,137 7,138 4,140 3,141 7,143 5,144 1,146 6,147 2,148 2,149 5,151 6,153 2,154 5,156 4,159 7,161 2,162 2,163 7,165 1,166 4,168 3,170 7,171 1036,172 17.082,173 17.082,174 17.082,175 17.082,176 17.082,177 14.852,178 12.103,179 9.661,180 17.615,181 14.293,182 14.293,183 14.293,184 14.293,185 14.293,186 10.732,187 9.252,188 4.582,189 15.269,190 3.026,191 1.534,192 0.885,193 0.237,194 0.183,195 0.183,196 4.009,197 1,199 1,200 598,201 4.472,202 61.794,203 180.127,204 120.082,206 1.61,207 67.704,209 0.4,210 0.77,211 63.833,212 284,213 4.915,214 4.75,215 7.541,216 4.438,217 3.534,218 4.752,219 3.825,220 13.396,221 3.189,222 4.517,223 4.393,224 6.98,225 4.063,226 3.144,227 4.453,228 0.98,229 11.22,230 3.05,231 4.349,232 3.56,233 6.353,234 3.999,235 3.055,236 3.704,237 9.808,238 2.728,239 3.919,240 3.052,241 5.818,242 3.536,243 2.549,244 3.346,245 7.877,246 2.506,247 3.491,248 2.64,249 5.228,250 3.008,251 2.103,252 2.829,253 6.063,254 1.879,255 3.439,256 2.218,257 4.956,258 2.96,259 2.019,260 2.715,261 5.785,262 1.784,263 3.03,264 1.67,265 4.402,266 2.532,267 1.532,268 2.291,269 4.292,270 1.532,271 2.73,272 1.506,273 4.213,274 2.305,275 1.323,276 1.807,277 3.514,278 1.284,279 2.67,280 1.431,281 4.023,282 2.174,283 1.197,284 1.675,285 2.928,286 1.155,287 2.576,288 1.332,289 3.619,290 2.095,291 1.112,292 1.604,293 2.804,294 1.08,295 1.945,296 0.934,297 3.217,298 1.454,299 0.476,300 0.688,301 1.188,302 0.446,303 1.746,304 0.642,305 3.158,306 1.416,307 0.381,308 0.482,309 0.894,310 0.392,311 1,312 0.51,313 2.796,314 0.434,315 -0.422,316 -0.543,318 -1.069,319 -0.282,320 0.949,321 0.51,322 2.528,323 0.429,324 -0.517,325 -0.668,327 -1.36,328 -0.477,329 0.876,330 0.289,331 2.405,332 0.122,333 -0.856,334 -1,335 -2.167,336 -0.7,337 12.538,338 0.464,339 1.096,340 0.041,341 35.5,342 1.315,343 18.5,344 0.685,345 17,346 0.63,347 20.365,348 0.754,349 30.062,350 0.812,351 31.422,352 1.164,353 7.216,354 0.267,355 5.36,356 0.199,357 0.205,358 0.106,359 0.279,360 3,362 0.596,363 0.86,364 0.644,365 1.067,366 0.661,367 0.77,368 0.521,369 0.726,370 0.699,371 0.927,372 0.466,373 0.908,374 0.784,375 0.879,376 1.084,377 1.088,378 0.74,379 1.095,380 1.265,381 1.29,382 1.122,383 1.354,384 1.317,385 1.126,386 1.151,387 1.076,388 0.988,389 0.874,390 1.14,391 0.912,392 1.157,393 0.717,394 0.992,395 0.713,396 1.246,397 0.867,398 1.147,399 0.822,400 0.833,401 0.81,402 1.21,403 0.825,404 0.86,405 0.865,406 1.075,407 1.1,408 0.747,409 0.93,410 8.5,411 0.191,412 4.444,413 2.854,414 2.236,415 1.063,416 0.524,417 0.51,418 0.303,419 0.265,420 8428,421 40322,422 1.954,423 27,425 8,427 2,429 1.7,430 1.761,431 3.341,432 0.414,434 1,436 80.776,437 2.183,438 3.676,439 4.324,440 4.973,441 5.027,442 5.027,443 2.742,444 4.255,445 4.732,446 3.542,447 1243.12,448 8.204,449 15990.5,452 1,453 192.75,454 1.816,455 4.629,456 0.293,457 0.009,458 0.101,459 0.066,460 0.055,461 0.028,462 0.02,463 0.02,464 0.011,465 0.011,466 0.614,467 0.17,468 0.857,469 133.816,470 -0.008,471 0.028,472 0.085,473 -0.048,474 -0.117,475 0.056,476 0.315,477 0.284,478 0.004,479 0.002,480 0.347,481 -0.104,482 -0.022,483 -0.126,484 -0.111,485 -0.085,486 -0.017,487 -0.108,488 -0.29,489 -0.349,490 -0.073,491 -0.27,492 -0.297,493 -0.154,494 0.14,495 0.087,496 -0.051,497 0.048,498 0.264,499 -0.035,500 -0.146,501 0.23,502 -0.103,503 0.211,504 -0.2,505 0.111,506 -0.225,508 0.057,509 0.088,510 -0.229,511 0.158,512 0.109,513 0.028,514 -0.079,515 -0.031,516 0.245,517 0.033,518 6.132,519 5.178,520 0.556,521 21.745,522 1.074,523 1.141,524 3.209,525 10.295,526 0.722,527 3.401,528 3.807,529 4.007,530 4.248,531 4.454,532 4.369,533 4.382,534 4.443,535 4.431,536 4.344,537 6.418,538 0.736,539 418.8,540 3.401,541 4.99,542 5.838,543 6.751,544 7.624,545 8.532,546 9.415,547 10.32,548 11.208,549 12.11,550 5.4,551 1,552 1,556 2,557 8,560 1,561 4,562 16,565 1,566 37,567 19,568 2,569 29,571 39,572 16,573 14,574 5,575 7,576 1,577 3,578 4,579 1,580 1,581 1,583 15,584 1,585 3,586 1,587 3,588 1,590 1,591 3,592 1,593 10,594 9,595 2,596 11,597 2,599 2,600 0.667,601 4,604 1,605 2,606 1,608 2,609 1,612 1,613 3,614 27,615 1,616 2,618 1,622 4,623 10.8,624 3,625 1,626 15.333,627 6.571,628 5.625,629 1.893,630 3.047,631 1.426,632 1.008,633 5.124,634 10.193,635 3.714,636 4.404,637 4.943,638 5.523,639 6.047,640 6.243,641 6.521,642 6.781,643 6.756,644 6.686,645 0.857,646 43,647 11.335,649 6.323,650 8.739,651 17.505,653 14.475,655 3.239,656 87.444,659 94.169,660 115.176,661 34.171,662 39.149,663 78.965,664 44.88,665 5.807,666 109.369,667 212.283,668 79.051,670 17.888,671 97.9,672 74.163,673 65.198,674 10.285,675 94.169,676 46.908,677 94.169,678 143.54,679 123.846,680 44.956,682 94.169,683 123.846,684 41.93,685 101.61,686 44.956,688 139.049,689 113.136,690 154.325,691 5.807,692 101.928,693 25.8,694 75.81,695 34.171,696 162.994,697 94.169,698 158.016,699 154.325,700 0.61,701 0.339,702 0.173,703 0.102,704 22,705 11,706 0.103,707 4,708 1,709 1.133,710 3.703,711 229.658,712 0.133,713 15,714 121.627,715 1,716 19.551,717 7.076,718 4.212,719 0.827,720 158.016,721 9.48,724 5.248,725 -2.224,726 34.171,727 406.51,728 40,729 -4.679,730 36.429,731 -0.99,732 39.753,733 42.209,734 0.419,735 0.706,736 0.83,737 0.955,738 0.965,739 0.965,740 4.99,741 1.323,742 5.927,743 4.292,744 4.489,745 5.091,746 3.125,747 6.843,748 4.368,749 6.284,750 1.197,751 7.572,752 3.514,753 4.511,754 5.316,755 3.903,756 8.242,757 4.213,758 7.671,759 1.112,760 9.335,761 2.928,762 6.279,763 7.479,764 5.428,765 11.253,766 6.015,767 9.097,768 0.476,769 11.167,770 2.804,771 7.04,772 8.46,773 6.69,774 13.402,775 6.605,776 10.555,777 0.381,778 13.044,779 1.188,780 8.417,781 10.209,782 8.058,783 16.077,784 7.978,785 12.035,786 -0.422,787 14.95,788 0.894,789 9.458,790 11.504,791 9.388,792 18.485,793 8.876,794 13.533,795 -0.517,796 16.877,797 -1.069,798 10.719,799 13.112,800 10.734,801 21.077,802 10.093,803 3.534,804 -0.856,805 18.819,806 -1.36,807 11.869,808 14.542,809 12.074,810 23.582,811 11.122,812 3.144,813 13.396,814 20.773,815 -2.167,816 13.099,817 16.101,818 13.416,819 26.156,820 12.282,821 3.055,822 11.22,823 22.737,824 4.752,825 14.295,826 17.59,827 14.758,828 28.703,829 13.369,830 2.549,831 9.808,832 24.708,833 4.453,834 15.52,835 19.133,836 16.1,837 31.278,838 14.51,839 2.103,840 7.877,841 26.685,842 3.704,843 16.737,844 20.649,845 17.441,846 33.845,847 15.623,848 2.019,849 6.063,850 28.668,851 3.346,852 17.966,853 22.188,854 18.783,855 36.423,856 16.759,857 1.532,858 5.785,859 30.654,860 2.829,861 19.194,862 23.717,863 20.124,864 39,865 17.885,866 8291,867 18311,868 18.087,869 26.716,870 45.551,871 46.211,872 46.187,873 45.367,874 44.85,875 60.691,876 9.61,877 139.537,878 42.05,879 5.827,880 6.75,881 7.217,882 5.497,883 5.534,884 7.752,885 5.335,886 21.625,887 5.189,888 17.298,889 1.571,890 1.593,891 1.593,892 1.564,893 1.547,894 2.093,895 0.331,896 4.812,897 1.45,898 4.12,899 4.116,900 4.736,901 4.07,902 8.513,903 4.028,904 4.059,905 4.045,906 4.125,907 3.999,908 7.999,909 3.972,910 3.679,911 3.689,912 3.773,913 3.562,914 7.999,915 3.499,916 3.49,917 3.481,918 3.691,919 3.359,920 7.717,921 3.362,922 3.315,923 3.362,924 3.318,925 3.011,926 7.429,927 3.065,928 3.108,929 3.135,930 3.27,931 2.861,932 6.999,933 2.896,934 2.921,935 2.96,936 2.881,937 2.804,938 5.138,939 2.795,940 2.745,941 2.812,942 2.606,943 2.583,944 4.75,945 2.575,946 0.169,947 0.164,948 0.26,949 0.153,950 0.122,951 4.915,952 0.164,953 4.75,954 0.132,955 7.541,956 0.462,957 4.438,958 0.11,959 3.534,960 4.752,961 3.825,962 13.396,963 3.189,964 1.965,965 1.974,966 1.986,967 2.042,968 1.188,969 2.068,970 1.909,971 1.896,972 1.975,973 1.976,974 1.117,975 1.981,976 1.555,977 1.551,978 1.602,979 1.806,980 0.643,981 1.77,982 1.408,983 1.439,984 1.292,985 1.583,986 0.557,987 1.59,988 1.096,989 1.06,990 1.206,991 1.44,992 0.265,993 1.343,994 0.979,995 0.95,996 1.113,997 1.218,998 0.161,999 1.209,1000 0.884,1001 0.867,1002 0.988,1003 1.075,1004 0.097,1005 1.059,1006 0.73,1007 0.67,1008 0.962,1009 0.956,1011 0.983,1012 4.078,1013 5.46,1014 2.398,1015 7.017,1016 4.727,1017 8.652,1018 6.843,1019 10.332,1022 5.822,1023 38.964,1024 3.449,1026 -4.882,1029 27.227,1030 80.776,1031 135.995,1032 159.995,1033 183.995,1034 185.995,1035 185.995,1036 83.66,1037 7.145,1038 88.41,1039 96.79,1040 17,1041 12.633,1042 4.322,1043 3.585,1044 47.097,1045 106,1046 100,1047 0.22,1048 171.28,1049 303.55,1050 409.684,1051 11988,1052 10.8,1053 19.82,1054 0.734,1055 0.546,1056 18.07,1057 14.744,1058 12.576,1059 0.434,1060 0.314,1061 7.235,1062 10.799,1063 7.026,1064 5.738,1065 12.475,1066 9.114,1067 13.038,1068 0.296,1069 0.169,1070 12.756,1071 7.434,1072 9.544,1073 0.177,1074 0.093,1075 10.15,1076 5.024,1077 7.623,1078 0.11,1079 0.051,1080 8.297,1081 3.54,1082 6.457,1083 0.076,1084 0.027,1085 6.478,1086 2.325,1087 0.346,1088 92.369,1089 0.235,1090 25.842,1091 0.602,1092 146,1093 735.005,1094 229.811,1095 667.869,1096 849.74,1097 608,1098 171,1099 543.208,1100 251.188,1101 570.12,1102 852.65,1103 532,1104 6.638}
{0 CHEMBL1825195,1 1.868,2 5.667,3 2.384,4 5.683,5 48.684,6 10.851,7 0.688,8 3.13,9 3.19,10 2.982,11 2.718,12 4.666,13 2.78,14 3.525,15 3.603,16 3.315,17 3.016,18 5.032,19 3.093,20 3.711,21 3.829,22 3.404,23 2.974,24 5.543,25 3.077,26 3.631,27 3.759,28 3.282,29 2.778,30 5.442,31 2.913,32 3.424,33 3.552,34 3.076,35 2.579,36 5.279,37 2.705,38 3.143,39 3.329,40 2.655,41 2.166,42 5.178,43 2.271,44 2.408,45 2.664,46 1.526,47 1.31,48 4.449,49 1.302,50 1.092,51 1.391,52 0.1,53 0.324,54 2.079,55 0.238,56 0.192,57 0.418,58 0.746,59 1.49,60 25.342,61 1.084,62 0.312,63 0.642,64 1.344,65 2.327,66 45.398,67 1.631,68 0.6,69 0.871,70 4.06,71 3.052,72 94.015,73 2.338,74 0.588,75 0.667,76 4.34,77 2.594,78 83.146,79 1.7,80 0.478,81 0.578,82 3.009,83 2.029,84 53.097,85 1.239,86 0.318,87 0.439,88 2.988,89 1.446,90 56.06,91 1.11,92 0.156,93 0.158,94 2.1,95 0.693,96 40.554,97 0.679,98 0.028,99 0.014,100 0.887,101 0.158,102 8.509,103 0.259,104 11,105 22,106 0.391,107 0.704,108 0.814,109 0.888,110 0.888,111 0.888,112 2.797,113 0.755,114 -3.58,115 -3.56,116 -3.39,118 52.6,122 3,123 2,124 2,125 1,127 1,128 1,130 3,132 4,135 3,137 2,141 2,142 2,143 3,147 1,149 3,152 1,154 2,159 1,171 210,172 10.129,173 10.129,174 10.129,175 10.129,176 10.129,177 8.622,178 5.528,179 5.894,180 10.261,181 7.783,182 7.783,183 7.783,184 7.783,185 7.783,186 5.547,187 3.281,188 2.638,189 8.058,190 2.38,191 0.882,192 0.356,196 3.437,200 174,201 1.871,202 37.609,203 44.609,206 0.8,207 28.82,209 0.4,210 0.77,211 35,212 85,213 4.524,214 4.071,215 6.732,216 4.129,217 3.149,218 4.232,219 2.035,220 10.887,221 3.086,222 4.081,223 3.405,224 5.972,225 3.598,226 2.643,227 3.666,229 8.213,230 2.508,231 3.431,232 2.832,233 5.044,234 2.843,235 1.882,236 2.528,237 5.519,238 1.794,239 3.104,240 2.22,241 4.08,242 2.384,243 1.414,244 2.032,245 3.22,246 1.361,247 2.866,248 1.763,249 3.813,250 2.268,251 1.295,252 1.956,253 3.035,254 1.256,255 2.408,256 1.331,257 3.432,258 1.877,259 0.935,260 1.316,261 2.257,262 0.873,263 2.355,264 1.145,265 2.654,266 1.244,267 0.3,268 0.593,269 0.456,270 0.282,271 1.338,272 0.604,273 2.501,274 0.937,275 0.087,276 0.106,277 0.181,278 0.072,279 0.915,280 -0.075,281 2.358,282 0.467,283 -0.486,284 -0.655,285 -1.113,286 -0.451,287 0.361,288 -0.301,289 1.876,290 -0.138,291 -1.085,292 -1.463,293 -2.348,294 -0.991,295 -0.035,296 -0.927,297 1.503,298 -0.465,299 -1.376,300 -1.869,301 -3.383,302 -1.225,303 -0.095,304 -1.199,305 1.302,306 -0.543,307 -1.414,308 -1.935,309 -4,310 -1.3,311 -0.17,312 -1.491,313 1.228,314 -0.591,315 -1.565,316 -2.24,318 -4.287,319 -1.539,320 -0.415,321 -1.658,322 0.629,323 -0.835,324 -1.819,325 -2.541,327 -5.202,328 -1.793,329 -0.5,330 -1.95,331 0.471,332 -0.976,333 -1.959,334 -2.726,335 -6.121,336 -1.932,337 6.705,338 0.447,339 0.35,340 0.023,341 22.5,342 1.5,343 13,344 0.867,345 9.5,346 0.633,347 7.238,348 0.483,349 15.495,350 0.816,351 14.208,352 0.947,353 4.748,354 0.317,355 2.489,356 0.166,357 0.145,359 0.373,361 2,362 0.56,363 0.748,364 0.473,365 0.836,366 0.53,367 0.742,368 0.789,369 0.952,370 0.657,371 1.073,372 0.687,373 0.937,374 0.991,375 1.066,376 0.862,377 1.126,378 0.875,379 1.025,380 1.276,381 1.106,382 1.173,383 0.931,384 1.33,385 0.911,386 1.223,387 1.182,388 1.228,389 1.032,390 1.272,391 1.066,392 1.141,393 1.056,394 1.348,395 1.027,396 1.206,397 1.193,398 0.975,399 0.686,400 1.816,401 0.912,402 1.179,403 1.469,404 0.435,405 0.052,406 1.311,407 0.162,408 1.298,409 0.693,410 2.5,412 2.222,413 1.188,414 0.858,415 0.399,416 0.181,417 0.028,420 1399,421 6871,422 1.993,423 21.1,425 3,426 1,429 1.538,430 1.837,431 2.585,432 -0.651,436 35.491,437 1.868,438 3.366,439 3.892,440 4.248,441 4.248,442 4.248,443 1.889,444 3.774,445 3.883,446 2.618,447 274.937,448 6.536,449 2254.86,453 80.711,454 1.506,455 3.82,456 0.156,458 0.101,459 0.054,460 0.045,461 0.027,462 0.02,463 0.014,466 0.417,467 1,468 0.985,469 57.171,470 0.045,471 0.016,472 0.027,473 0.017,476 -0.091,477 -0.141,478 -0.031,479 -0.191,480 -0.062,481 -0.128,482 0.01,483 -0.09,484 0.111,485 -0.142,486 0.086,487 -0.049,488 -0.149,489 -0.073,490 -0.164,491 0.039,492 -0.229,493 0.003,494 -0.085,495 -0.087,496 -0.245,497 -0.067,498 -0.183,499 -0.181,500 -0.076,501 -0.019,502 -0.119,503 -0.068,504 0.019,505 -0.118,506 -0.003,507 0.214,508 -0.183,509 0.09,510 0.138,511 -0.038,512 0.092,513 0.219,514 1.077,515 0.909,516 -0.298,517 1.545,518 2.717,519 5.309,520 0.733,521 7.067,522 1.07,523 1.143,524 2.353,525 5.538,526 0.73,527 2.833,528 3.135,529 3.434,530 3.638,531 3.689,532 3.611,533 3.497,534 3.367,535 3.135,536 2.708,537 3.655,538 0.767,539 206.16,540 2.833,541 4.344,542 5.198,543 6.071,544 6.944,545 7.822,546 8.7,547 9.579,548 10.458,549 11.338,550 10.5,554 1,555 1,557 4,558 1,560 1,561 5,562 11,563 1,565 2,566 19,567 12,568 1,569 16,571 20,572 10,573 9,574 3,575 3,577 2,578 2,582 1,583 9,591 2,593 4,594 5,596 5,598 1,599 2,600 1,601 1,604 1,605 1,608 2,613 2,614 15,619 1,620 1,621 1,622 2,623 5.3,625 1,626 8.167,627 3.686,628 3.444,629 1.048,630 2.394,631 1.419,632 0.969,633 2.287,634 8.111,635 3.199,636 3.778,637 4.42,638 4.988,639 5.367,640 5.596,641 5.799,642 6.055,643 6.241,644 6.173,645 0.75,646 22,647 5.524,648 -0.001,649 2.449,650 8.656,651 9.561,653 7.47,655 3.156,656 47.333,657 0.001,659 47.084,660 84.14,661 50.656,663 9.734,664 29.92,666 84.14,667 56.819,668 80.576,671 28.429,672 47.969,673 74.454,674 35.369,675 35.313,677 47.084,678 134.796,679 39.654,682 77.005,683 9.734,684 40.107,685 75.092,686 19.597,688 77.005,689 60.39,690 84.14,692 47.084,693 30.062,694 37.476,695 16.602,696 90.31,697 47.084,698 90.31,699 84.14,700 0.575,701 0.365,702 0.194,703 0.092,704 11,705 5,706 0.05,707 1,709 1,710 2.648,711 98.051,713 11,714 58.603,716 9.514,717 3.607,718 1.518,720 90.31,721 4.79,722 3.354,724 4.698,725 -2.142,727 221.535,728 23.5,732 20.324,733 21.716,734 0.44,735 0.792,736 0.916,737 1,738 1,739 1,740 4.416,741 0.087,742 5.187,743 0.456,744 3.807,745 4.46,746 2.228,747 6.023,748 3.738,749 5.653,750 -0.486,751 6.772,752 0.181,753 3.434,754 4.227,756 7.029,757 3.311,758 6.97,759 -1.085,760 8.464,761 -1.113,762 5.416,763 6.7,764 3.563,765 10.147,766 5.299,767 8.329,768 -1.376,769 10.22,770 -2.348,771 5.916,772 7.364,774 11.981,775 5.747,776 9.72,777 -1.414,778 12.014,779 -3.383,780 7.354,781 9.231,782 4.962,783 14.622,784 7.192,785 11.134,786 -1.565,787 13.834,788 -4,789 8.223,790 10.298,792 16.771,793 8.021,794 12.566,795 -1.819,796 15.672,797 -4.287,798 9.465,799 11.919,800 6.378,801 19.253,802 9.261,803 3.149,804 -1.959,805 17.522,806 -5.202,807 10.487,808 13.173,810 21.533,811 10.253,812 2.643,813 10.887,814 19.382,815 -6.121,816 11.658,817 14.688,818 7.797,819 23.956,820 11.416,821 1.882,822 8.213,823 21.25,824 4.232,825 12.744,826 16.031,828 26.294,829 12.479,830 1.414,831 5.519,832 23.123,833 3.666,834 13.891,835 17.499,836 9.217,837 28.694,838 13.614,839 1.295,840 3.22,841 25.001,842 2.528,843 15.006,844 18.886,846 31.058,847 14.709,848 0.935,849 3.035,850 26.883,851 2.032,852 16.147,853 20.335,854 10.638,855 33.449,856 15.834,857 0.3,858 2.257,859 28.768,860 1.956,861 17.275,862 21.744,864 35.825,865 16.944,866 1485,867 3369,868 10.345,869 13.864,870 24.976,871 26.973,872 25.143,873 23.388,874 23.41,875 32.857,876 4.069,877 67.541,878 22.462,879 5.191,880 6.071,881 6.326,882 5.129,883 5.149,884 7.232,885 4.069,886 18.203,887 5.086,888 7.355,889 1.561,890 1.686,891 1.571,892 1.462,893 1.463,894 2.054,895 0.254,896 4.221,897 1.404,898 4.005,899 4.019,900 3.987,901 3.897,902 8.239,903 3.912,904 3.724,905 3.75,906 3.697,907 3.568,908 8.161,909 3.594,910 3.031,911 3.081,912 3.029,913 2.784,914 6.82,915 2.826,916 2.93,917 2.981,918 2.875,919 2.73,920 5.203,921 2.751,922 2.831,923 2.884,924 2.769,925 2.634,926 4.51,927 2.667,928 2.224,929 2.271,930 2.117,931 1.903,932 3.579,933 1.935,934 1.887,935 1.981,936 1.896,937 1.434,938 3.496,939 1.544,940 1.82,941 1.89,942 1.734,943 1.199,944 3.186,945 1.301,946 0.283,947 0.254,948 0.421,949 0.258,950 0.197,951 4.524,952 0.265,953 4.071,954 0.127,955 6.732,956 0.68,957 4.129,958 0.193,959 3.149,960 4.232,961 2.035,962 10.887,963 3.086,964 1.893,965 1.877,966 1.965,967 1.99,968 1.071,969 1.979,970 1.5,971 1.474,972 1.568,973 1.618,974 0.595,975 1.603,976 1.06,977 1.036,978 1.172,979 1.455,980 0.147,981 1.351,982 0.829,983 0.786,984 1,985 1.074,986 0.024,987 1.042,988 0.76,989 0.701,990 0.877,991 0.998,993 0.971,994 0.419,995 0.382,996 0.546,997 0.738,999 0.696,1002 0.288,1003 0.161,1005 0.166,1009 0.048,1012 3.497,1013 4.796,1014 2.398,1015 6.308,1016 4.595,1017 7.918,1018 6.581,1019 9.575,1023 26.196,1027 8.663,1028 1.775,1029 14.578,1030 35.491,1031 63.956,1032 73.956,1033 80.711,1034 80.711,1035 80.711,1036 32.403,1037 5.717,1038 49.82,1039 49.82,1040 11,1041 11.874,1042 3.7,1043 3.087,1044 23.376,1045 32,1046 31,1047 0.381,1048 91.396,1049 159.49,1050 214.767,1051 1633,1052 10.5,1053 10.836,1054 0.722,1055 0.491,1056 9.096,1057 7.368,1058 7.236,1059 0.452,1060 0.252,1061 3.93,1062 6.781,1063 3.9,1064 3.218,1065 6.415,1066 4.029,1067 6.194,1068 0.282,1069 0.126,1070 5.161,1071 2.782,1072 5.562,1073 0.185,1074 0.063,1075 4.498,1076 1.887,1077 4.363,1078 0.118,1079 0.032,1080 3.755,1081 1.193,1082 3.01,1083 0.077,1084 0.017,1085 2.581,1086 0.665,1087 0.551,1088 46.912,1089 0.311,1090 14.746,1091 1.189,1092 76,1093 411.248,1094 89.286,1095 343.987,1096 441.25,1097 316,1098 90,1099 310.746,1100 104.389,1101 298.626,1102 431.3,1103 279,1104 4.824}
{0 CHEMBL1825196,1 1.919,2 6.214,3 0.105,4 0.011,5 51.082,6 8.928,7 0.429,8 3.286,9 3.377,10 3.244,11 2.843,12 4.463,13 2.793,14 3.768,15 3.896,16 3.434,17 3.113,18 5.379,19 3.065,20 3.957,21 4.114,22 3.382,23 3.154,24 5.425,25 3.069,26 3.894,27 4.072,28 3.261,29 2.964,30 5.303,31 2.909,32 3.715,33 3.88,34 2.987,35 2.725,36 5.515,37 2.722,38 3.502,39 3.703,40 2.372,41 2.506,42 4.871,43 2.458,44 3.147,45 3.352,46 2.071,47 2.314,48 4.397,49 2.21,50 3.021,51 3.303,52 1.473,53 1.98,54 4.055,55 1.783,56 0.118,57 0.378,58 6.39,59 2.429,60 18.763,61 2.459,62 0.35,63 0.526,64 9.574,65 3.572,66 46.929,67 4.051,68 0.464,69 0.571,70 14.817,71 4.586,72 60.527,73 4.637,74 0.432,75 0.492,76 14.749,77 3.958,78 72.32,79 3.912,80 0.478,81 0.389,82 13.442,83 3.215,84 93.537,85 3.3,86 0.336,87 0.293,88 7.709,89 2.226,90 57.736,91 2.602,92 0.147,93 0.222,94 4.72,95 1.907,96 20.83,97 2.451,98 0.15,99 0.167,100 5.559,101 1.747,102 24.207,103 2.443,104 21,105 19,106 0.391,107 0.663,108 0.721,109 0.786,110 0.809,111 0.809,112 2.731,113 1.144,114 -1.88,115 -1.94,116 -1.94,118 33.3,119 1,122 5,124 1,129 1,130 4,131 1,132 1,133 3,134 1,135 4,137 4,138 3,140 3,141 2,143 4,146 4,148 2,149 4,151 3,154 2,156 1,157 2,159 2,162 2,163 1,166 1,171 200,172 8.784,173 8.784,174 8.784,175 8.784,176 8.784,177 7.563,178 6.622,179 5.312,180 8.93,181 6.895,182 6.895,183 6.895,184 6.895,185 6.895,186 5.03,187 4.641,188 2.52,189 7.13,190 2.666,191 1.332,192 1.047,193 0.73,194 0.615,195 0.615,196 3.336,199 1,200 168,201 3.391,203 49.389,206 1.102,207 24.611,209 0.6,210 0.8,211 32,212 87,213 4.843,214 4.681,215 7.293,216 4.293,217 3.373,218 4.694,219 1.886,220 12.405,221 3.072,222 3.583,223 3.503,224 4.959,225 3.222,226 2.208,227 3.056,229 5.516,230 2.221,231 3.5,232 2.043,233 4.588,234 3.006,235 2,236 2.687,237 4.953,238 2.008,239 2.702,240 1.43,241 3.647,242 2.207,243 1.216,244 1.776,245 2.778,246 1.2,247 2.5,248 1,249 3.247,250 2,251 1,252 1.5,253 2.136,254 1,255 1.774,256 0.949,257 3.115,258 1.536,259 0.52,260 0.599,261 1.153,262 0.526,263 1,264 0.311,265 2.528,266 0.231,267 -0.727,268 -0.973,269 -1.632,270 -0.676,271 0.736,272 0.055,273 2,274 0.109,275 -1,276 -1.123,277 -2,278 -0.968,279 0.527,280 -0.708,281 2,283 -1,284 -1.487,285 -2.347,286 -1,287 0.5,288 -1,289 1.555,291 -1,292 -1.5,293 -2.975,294 -1,295 0.129,296 -1,297 1.056,298 -0.029,299 -1,300 -2,301 -3,302 -1.106,303 -0.443,304 -1.135,305 1,306 -0.765,307 -1.686,308 -2,309 -4.789,310 -1.473,311 -0.5,312 -1.699,313 0.814,314 -1,315 -1.905,316 -2.229,317 -0.499,318 -5.042,319 -1.804,320 -0.852,321 -2,322 0.198,323 -1.009,324 -2,325 -3,326 -1.386,327 -7.154,328 -2,337 6.633,338 0.474,339 0.478,340 0.034,341 18.5,342 1.321,343 10.5,344 0.75,345 8,346 0.571,347 7.817,348 0.558,349 16.167,350 0.674,351 12.224,352 0.873,353 3.758,354 0.268,355 2.763,356 0.197,357 0.226,358 0.126,359 0.151,362 0.489,363 1.235,364 0.855,365 1.355,366 0.662,367 0.965,368 0.506,369 1.195,370 0.86,371 1.09,372 0.563,373 1.013,374 1.119,375 1.091,376 1.295,377 1.143,378 1.133,379 1.07,380 1.466,381 1.085,382 1.2,383 1.081,384 1.421,385 0.958,386 1.228,387 1.035,388 1.333,389 1.152,390 1.063,391 0.909,392 1.588,393 0.665,394 0.881,395 0.55,396 1.559,397 0.949,398 0.808,399 0.96,400 0.719,401 0.909,402 0.815,403 1.267,404 0.648,405 0.801,406 0.621,407 0.77,408 0.704,409 1.104,410 4,412 2,413 0.938,414 0.569,415 0.326,416 0.142,417 0.066,418 0.041,420 1132,421 4740,422 1.827,423 41.7,425 5,427 2,428 3,429 1.509,430 1.663,431 2.68,432 0.686,436 46.065,437 1.919,438 3.253,439 3.538,440 3.855,441 3.97,442 3.97,443 2.217,444 2.842,445 3.777,446 2.792,447 254.039,448 6.3,449 1997.16,453 110.039,454 1.689,455 3.682,456 0.286,458 0.105,459 0.055,460 0.041,461 0.025,462 0.02,463 0.013,464 0.02,466 0.566,467 0.67,468 1.876,469 53.089,470 0.105,471 0.081,472 0.257,473 -0.071,474 -0.153,475 0.042,476 0.329,477 -0.071,478 0.073,479 -0.058,480 0.231,481 -0.072,482 -0.095,483 -0.049,484 -0.181,485 -0.05,486 -0.103,487 -0.129,488 -0.329,489 -0.125,490 -0.088,491 -0.055,492 -0.255,493 -0.031,494 0.027,495 -0.095,496 -0.228,497 -0.144,498 0.255,499 0.001,500 -0.438,501 0.136,502 -0.231,503 0.11,504 -0.361,505 -0.071,506 -0.065,507 -0.128,508 -0.122,509 -0.185,510 -0.077,511 -0.281,512 0.073,513 -0.123,514 0.115,515 -0.048,516 -0.003,517 -0.044,518 4.554,519 4.411,520 0.429,521 7.755,522 1.033,523 1.134,524 0.652,525 0.425,526 0.67,527 2.708,528 2.996,529 3.045,530 3.091,531 3.219,532 2.833,533 2.708,534 2.197,535 1.946,536 1.609,537 3.946,538 0.645,539 214.27,540 2.708,541 4.205,542 4.977,543 5.826,544 6.635,545 7.486,546 8.31,547 9.162,548 9.994,549 10.846,550 8.3,551 1,552 1,557 5,561 1,562 6,566 24,567 9,568 1,569 14,571 24,572 8,573 6,574 1,575 5,577 1,578 1,580 1,583 7,584 1,585 3,586 1,587 3,588 1,590 1,593 10,594 5,595 2,596 6,597 1,599 2,600 1,601 3,605 1,608 1,609 1,611 1,614 14,615 1,616 2,623 12.5,624 3,626 8.417,627 4.333,628 3.125,629 1.167,630 1.367,631 1.269,632 0.933,633 3.358,634 6.449,635 3.045,636 3.624,637 3.907,638 4.271,639 4.727,640 4.467,641 4.676,642 3.841,643 3.841,644 3.841,645 1,646 17,647 5.337,648 0.002,649 2.4,650 8.518,651 9.235,652 0.001,653 7.085,654 0.001,655 3.018,656 42.25,657 0.002,659 94.169,660 68.269,661 34.171,663 69.458,665 5.807,666 62.462,667 163.627,668 34.171,669 8.825,670 17.888,671 69.471,672 74.163,673 1.551,675 94.169,677 94.169,678 96.633,679 69.458,680 5.807,682 94.169,683 69.458,684 42.996,685 53.637,686 5.807,688 94.169,689 103.629,690 68.269,691 5.807,692 94.169,693 6.255,694 56.206,695 34.171,696 69.458,697 94.169,698 103.629,699 68.269,700 0.579,701 0.296,702 0.134,703 0.083,704 8,705 4,706 0.125,707 3,709 1,710 2.523,711 78.926,713 6,714 47.303,715 1,716 10.857,717 4.33,718 3.222,720 103.629,721 7.774,725 0.105,726 34.171,727 266.067,728 20,729 -3.637,730 33.305,731 -0.468,732 24.796,733 27.206,734 0.419,735 0.709,736 0.772,737 0.841,738 0.866,739 0.866,740 4.241,741 -1,742 5.03,743 -1.632,744 3.664,745 4.304,746 1.906,747 5.866,748 3.588,749 5.502,750 -1,751 6.632,752 -2,753 3.611,754 4.59,755 1.593,756 7.345,757 3.41,758 6.878,759 -1,760 8.376,761 -2.347,762 5.371,763 6.674,764 2.857,765 10.285,766 5.134,767 8.304,768 -1,769 10.209,770 -2.975,771 6.111,772 7.755,773 2.98,774 12.531,775 5.711,776 9.771,777 -1.686,778 12.098,779 -3,780 7.494,781 9.468,782 3.972,783 15.164,784 7.043,785 11.267,786 -1.905,787 14.022,788 -4.789,789 8.536,790 10.841,791 4.33,792 17.607,793 7.928,794 12.785,795 -2,796 15.969,797 -5.042,798 9.803,799 12.445,800 5.163,801 20.16,802 9.125,803 3.373,805 17.93,806 -7.154,807 10.957,808 13.925,809 5.648,810 22.656,811 10.145,812 2.208,813 12.405,814 19.901,816 12.188,817 15.493,818 6.39,819 25.185,820 11.293,821 2,822 5.516,823 21.877,824 4.694,825 13.381,826 17.013,827 6.944,828 27.697,829 12.37,830 1.216,831 4.953,832 23.856,833 3.056,834 14.601,835 18.568,836 7.637,837 30.218,838 13.501,839 1,840 2.778,841 25.839,842 2.687,843 15.809,844 20.104,845 8.228,846 32.734,847 14.603,848 0.52,849 2.136,850 27.822,851 1.776,852 17.026,853 21.653,854 8.895,855 35.253,856 15.728,857 -0.727,858 1.153,859 29.807,860 1.5,861 18.239,862 23.196,863 9.506,864 37.771,865 16.841,866 1276,867 2712,868 8.436,869 16.068,870 20.662,871 21.702,872 21.127,873 20.698,874 20.635,875 28.625,876 3.772,877 57.879,878 20.054,879 5.695,880 6.681,881 7.095,882 5.301,883 5.373,884 7.694,885 3.272,886 19.559,887 5.072,888 8.077,889 1.476,890 1.55,891 1.509,892 1.478,893 1.474,894 2.045,895 0.269,896 4.134,897 1.432,898 4.063,899 4.042,900 4.733,901 4.049,902 7.717,903 3.958,904 3.665,905 3.699,906 3.676,907 3.545,908 7.43,909 3.486,910 3.493,911 3.496,912 3.458,913 3.28,914 6.999,915 3.287,916 2.854,917 2.925,918 2.687,919 2.735,920 4.717,921 2.715,922 2.789,923 2.913,924 2.571,925 2.522,926 4.2,927 2.516,928 2.595,929 2.65,930 2.458,931 2.308,932 3.674,933 2.314,934 2.261,935 2.305,936 2.087,937 1.731,938 3.671,939 1.807,940 1.676,941 1.858,942 1.331,943 1.217,944 3.51,945 1.144,946 0.346,947 0.334,948 0.521,949 0.307,950 0.241,951 4.843,952 0.335,953 4.681,954 0.135,955 7.293,956 0.886,957 4.293,958 0.219,959 3.373,960 4.694,961 1.886,962 12.405,963 3.072,964 1.951,965 1.958,966 1.995,967 2.024,968 1.152,969 2.062,970 1.531,971 1.515,972 1.725,973 1.797,974 0.732,975 1.785,976 1.364,977 1.356,978 1.257,979 1.553,980 0.577,981 1.596,982 0.886,983 0.821,984 1.181,985 1.091,986 0.218,987 1.107,988 0.732,989 0.626,990 1.043,991 1.062,992 0.044,993 1.101,994 0.516,995 0.454,996 0.642,997 0.804,999 0.831,1000 0.019,1002 0.381,1003 0.549,1005 0.492,1008 0.309,1009 0.185,1011 0.23,1012 3.367,1013 4.654,1015 6.133,1017 7.697,1019 9.306,1021 1.216,1024 3.955,1029 15.482,1030 46.065,1031 78.065,1032 84.92,1033 92.529,1034 95.284,1035 95.284,1036 33.049,1037 5.081,1038 75.27,1039 83.65,1040 6,1041 11.407,1042 3.322,1043 2.807,1044 27.868,1045 31,1046 30,1047 0.452,1048 105.114,1049 180.02,1050 248.239,1051 668,1053 10.604,1054 0.757,1055 0.595,1056 10.854,1057 8.336,1058 6.522,1059 0.466,1060 0.381,1061 3.913,1062 5.433,1063 3.67,1064 3.103,1065 7.343,1066 5.34,1067 6.256,1068 0.329,1069 0.225,1070 7.579,1071 4.282,1072 4.076,1073 0.204,1074 0.134,1075 5.168,1076 2.678,1077 2.749,1078 0.131,1079 0.081,1080 3.674,1081 1.709,1082 2.316,1083 0.096,1084 0.046,1085 3.167,1086 1.113,1087 0.673,1088 49.799,1089 0.344,1090 14.237,1091 1.331,1092 66,1093 276.733,1094 113.067,1095 282.758,1096 361.39,1097 254,1098 72,1099 223.073,1100 124.469,1101 259.642,1102 366.5,1103 240,1104 4.347}
{0 CHEMBL205044,1 1.852,2 11.593,3 3.937,4 15.499,5 101.228,6 10.021,7 0.7,8 3.839,9 3.901,10 3.795,11 3.51,12 5.035,13 3.486,14 4.33,15 4.404,16 4.127,17 3.887,18 5.801,19 3.864,20 4.573,21 4.693,22 4.161,23 3.976,24 5.943,25 3.925,26 4.578,27 4.715,28 4,29 3.834,30 5.922,31 3.794,32 4.414,33 4.574,34 3.949,35 3.667,36 5.926,37 3.629,38 4.311,39 4.463,40 3.935,41 3.594,42 5.817,43 3.558,44 4.231,45 4.38,46 3.681,47 3.473,48 5.65,49 3.437,50 4.082,51 4.208,52 3.639,53 3.428,54 5.443,55 3.385,56 0.161,57 0.56,58 5.918,59 3.64,60 19.417,61 3.182,62 0.414,63 0.867,64 8.823,65 5.76,66 48.435,67 5.532,68 0.584,69 1.079,70 20.532,71 8.753,72 55.286,73 8.332,74 0.708,75 1.09,76 21.474,77 8.493,78 91.906,79 6.888,80 0.669,81 0.956,82 18.149,83 6.85,84 112.598,85 6.253,86 0.59,87 0.842,88 17.496,89 6.685,90 56.021,91 6.779,92 0.527,93 0.75,94 15.573,95 6.063,96 66.844,97 5.508,98 0.406,99 0.65,100 11.461,101 5.033,102 57.263,103 4.143,104 17,105 44,106 0.318,107 0.553,108 0.691,109 0.846,110 0.871,111 0.871,112 3.34,113 0.979,114 -4.37,115 -4.3,116 -4.06,118 47.5,122 11,123 3,124 2,127 2,129 1,130 11,131 1,132 5,133 3,134 1,135 14,137 10,138 3,140 5,141 13,143 8,146 8,147 7,148 2,149 3,151 5,152 7,153 1,154 9,155 1,156 3,157 5,159 8,160 1,161 4,162 6,163 3,165 3,166 8,167 2,168 3,169 1,170 7,171 1071,172 17.971,173 17.971,174 17.971,175 17.971,176 17.971,177 15.179,178 8.918,179 10.32,180 18.265,181 14.782,182 14.782,183 14.782,184 14.782,185 14.782,186 10.436,187 6.289,188 4.888,189 15.3,190 3.47,191 2.103,192 1.301,193 0.4,194 0.25,195 0.25,196 4.034,197 1,199 1,200 690,201 3.808,202 48.864,203 222.849,204 190.798,206 1.682,207 39.462,209 0.4,210 0.77,211 59.333,212 313,213 4.845,214 4.682,215 7.293,216 4.297,217 3.377,218 4.809,219 0.98,220 12.407,221 3.222,222 4.713,223 3.554,224 6.766,225 4.22,226 3.22,227 4.697,229 11.138,230 3.075,231 4.1,232 3.186,233 6.02,234 3.734,235 2.726,236 3.667,237 8.566,238 2.739,239 3.835,240 2.898,241 5.534,242 3.312,243 2.399,244 3.394,245 6.944,246 2.208,247 3.673,248 2.318,249 5.148,250 3.199,251 2.198,252 3.154,253 6.319,254 2.149,255 3.263,256 1.857,257 4.883,258 2.766,259 1.766,260 2.639,261 5.327,262 1.765,263 3.083,264 1.827,265 4.736,266 2.597,267 1.65,268 2.292,269 4.779,270 1.513,271 2.941,272 1.722,273 4.178,274 2.442,275 1.445,276 2.129,277 3.71,278 1.417,279 2.816,280 1.388,281 3.792,282 2.334,283 1.336,284 1.891,285 3.062,286 1.321,287 2.5,288 1.061,289 3.59,290 2,291 1,292 1.5,293 2.539,294 1,295 2.5,296 1,297 3.414,298 2,299 1,300 1.5,301 2.275,302 1,303 1.88,304 1,305 3.287,306 1.519,307 0.507,308 0.651,309 1.203,310 0.509,311 1.734,312 0.572,313 3.042,314 1.307,315 0.286,316 0.403,318 0.697,319 0.29,320 1.119,321 0.402,322 2.69,323 0.59,324 -0.225,325 -0.284,327 -0.494,328 -0.148,329 1,330 -0.135,331 2.464,332 0.442,333 -0.571,334 -0.821,335 -1.447,336 -0.575,337 13.181,338 0.488,339 0.821,340 0.03,341 39.25,342 1.454,343 22.5,344 0.833,345 16.75,346 0.62,347 18.427,348 0.682,349 27.619,350 0.69,351 30.033,352 1.112,353 7.743,354 0.287,355 5.194,356 0.192,357 0.13,358 0.063,359 0.303,362 0.555,363 0.951,364 0.654,365 1.007,366 0.633,367 0.74,368 0.624,369 1.049,370 0.737,371 0.962,372 0.563,373 0.907,374 0.99,375 1.109,376 1.102,377 1.122,378 0.878,379 1.045,380 1.51,381 1.149,382 1.165,383 1.088,384 1.491,385 1.103,386 1.086,387 1.039,388 0.649,389 0.776,390 1.161,391 0.902,392 0.651,393 1.114,394 0.843,395 1.12,396 0.773,397 0.979,398 1.336,399 0.997,400 0.978,401 0.955,402 1.577,403 0.968,404 1.415,405 0.984,406 1.025,407 0.957,408 1.616,409 0.99,410 6.5,411 0.16,412 4.222,413 2.201,414 1.208,415 1.153,416 0.62,417 0.279,418 0.297,419 0.278,420 9464,421 33281,422 2.088,423 32.5,425 11,427 2,429 1.697,430 1.94,431 3.483,432 0.304,434 1,436 74.061,437 1.852,438 3.219,439 4.021,440 4.922,441 5.072,442 5.072,443 2.922,444 4.18,445 4.729,446 3.63,447 1274.01,448 8.189,449 16436.3,452 1,453 212.877,454 1.596,455 4.673,456 0.217,457 0.008,458 0.096,459 0.05,460 0.034,461 0.036,462 0.02,463 0.011,464 0.012,465 0.012,466 0.494,467 0.17,468 0.584,469 134.574,470 0.059,471 0.118,472 0.12,473 -0.038,474 -0.139,475 0.061,476 0.178,477 -0.03,478 -0.022,479 -0.079,480 0.172,481 -0.103,482 -0.04,483 -0.119,484 -0.132,485 -0.119,486 0.01,487 -0.101,488 -0.344,489 -0.134,490 -0.234,491 -0.108,492 -0.271,493 -0.165,494 -0.012,495 0.017,496 0.147,497 0.139,498 0.081,499 0.05,500 0.324,501 -0.091,502 0.172,503 -0.119,504 0.256,505 0.025,506 -0.167,507 -0.009,508 -0.049,509 0.023,510 -0.184,511 0.015,512 -0.296,513 0.012,514 -0.106,515 0.018,516 -0.321,517 -0.062,518 4.822,519 5.389,520 0.704,521 23.086,522 1.03,523 1.105,524 3.14,525 9.859,526 0.748,527 3.434,528 3.807,529 4.078,530 4.317,531 4.575,532 4.663,533 4.745,534 4.844,535 4.852,536 4.913,537 6.663,538 0.727,539 400.86,540 3.434,541 5.004,542 5.866,543 6.763,544 7.645,545 8.545,546 9.435,547 10.336,548 11.229,549 12.133,550 5,551 1,552 1,556 4,557 11,560 1,561 3,562 21,565 1,566 40,567 24,568 3,569 30,571 43,572 19,573 18,574 7,575 11,576 1,577 4,578 7,579 1,583 19,585 3,586 1,587 3,588 1,590 1,592 1,593 13,594 6,595 2,596 8,597 2,599 2,600 0.5,601 4,604 1,605 3,606 2,608 2,609 1,612 1,614 27,615 1,616 2,622 1,623 10,624 3,625 1,626 13.917,627 7.143,628 5.736,629 2.175,630 4.062,631 1.533,632 1.046,633 4.557,634 11.677,635 3.795,636 4.508,637 5.13,638 5.761,639 6.385,640 6.788,641 7.24,642 7.675,643 7.885,644 8.196,645 0.875,646 44,647 10.246,649 4.809,650 8.087,651 18.446,653 15.529,655 2.587,656 69.861,658 1,659 129.482,660 137.806,661 34.171,662 39.149,663 78.965,665 5.807,666 131.999,667 247.596,668 34.171,670 17.888,671 126.329,672 74.163,673 22.89,674 9.672,675 129.482,676 39.149,677 129.482,678 166.169,679 78.965,680 44.956,682 129.482,683 78.965,684 34.171,685 131.999,686 44.956,688 129.482,689 113.136,690 176.955,691 5.807,692 129.482,693 27.76,694 104.239,695 34.171,696 118.114,697 129.482,698 113.136,699 176.955,700 0.598,701 0.347,702 0.175,703 0.1,704 23,705 10,706 0.093,707 4,708 2,709 1.211,710 3.892,711 234.003,712 0.211,713 19,714 122.382,715 1,716 17.86,717 6.889,718 3.515,719 3.019,720 113.136,721 17.99,724 5.715,725 0.704,726 34.171,727 419.573,728 43.5,729 -3.906,730 36.871,731 -0.584,732 41.215,733 44.189,734 0.348,735 0.605,736 0.755,737 0.925,738 0.953,739 0.953,740 5.039,741 1.445,742 5.9,743 4.779,744 4.489,745 5.196,746 1.072,747 6.772,748 4.428,749 6.313,750 1.336,751 7.508,752 3.71,753 4.29,754 5.33,756 7.991,757 4.138,758 7.684,759 1,760 9.229,761 3.062,762 6.192,763 7.618,764 1.045,765 11.028,766 6.059,767 9.098,768 1,769 11.018,770 2.539,771 6.804,772 8.567,774 13.069,775 6.579,776 10.547,777 0.507,778 12.852,779 2.275,780 8.236,781 10.384,782 1.019,783 15.706,784 8.014,785 12.021,786 0.286,787 14.717,788 1.203,789 9.187,790 11.681,792 18.039,793 8.886,794 13.516,795 -0.225,796 16.605,797 0.697,798 10.457,799 13.332,800 0.993,801 20.568,802 10.138,803 3.377,804 -0.571,805 18.511,806 -0.494,807 11.551,808 14.779,810 23.003,811 11.165,812 3.22,813 12.407,814 20.43,815 -1.447,816 12.766,817 16.369,818 0.967,819 25.504,820 12.348,821 2.726,822 11.138,823 22.359,824 4.809,825 13.919,826 17.881,828 27.978,829 13.442,830 2.399,831 8.566,832 24.297,833 4.697,834 15.118,835 19.45,836 0.942,837 30.474,838 14.6,839 2.198,840 6.944,841 26.241,842 3.667,843 16.297,844 20.989,846 32.963,847 15.724,848 1.766,849 6.319,850 28.191,851 3.394,852 17.493,853 22.551,854 0.917,855 35.461,856 16.875,857 1.65,858 5.327,859 30.145,860 3.154,861 18.683,862 24.102,864 37.958,865 18.013,866 8907,867 16879,868 19.879,869 29.903,870 46.067,871 48.111,872 47.1,873 46.145,874 45.819,875 65.452,876 1.96,877 137.93,878 44.418,879 5.747,880 6.682,881 6.974,882 5.346,883 5.377,884 7.809,885 1.96,886 19.581,887 5.222,888 13.16,889 1.536,890 1.604,891 1.57,892 1.538,893 1.527,894 2.182,895 0.065,896 4.598,897 1.481,898 4.2,899 4.201,900 4.735,901 4.122,902 7.717,903 4.13,904 4.059,905 4.035,906 4.169,907 4.047,908 7.429,909 3.962,910 3.739,911 3.766,912 3.925,913 3.658,914 6.999,915 3.656,916 3.63,917 3.629,918 3.672,919 3.56,920 5.184,921 3.485,922 3.343,923 3.342,924 3.321,925 3.143,926 4.927,927 3.172,928 2.995,929 3.042,930 3.158,931 2.888,932 4.518,933 2.88,934 2.977,935 3.016,936 2.905,937 2.771,938 4.297,939 2.789,940 2.854,941 2.925,942 2.872,943 2.735,944 4.249,945 2.715,946 0.162,947 0.156,948 0.243,949 0.143,950 0.113,951 4.845,952 0.16,953 4.682,954 0.033,955 7.293,956 0.414,957 4.297,958 0.107,959 3.377,960 4.809,961 0.98,962 12.407,963 3.222,964 1.997,965 1.984,966 2.07,967 2.056,968 1.231,969 2.068,970 1.946,971 1.955,972 1.952,973 2.006,974 1.152,975 2.039,976 1.83,977 1.817,978 1.928,979 1.955,980 0.993,981 1.944,982 1.468,983 1.491,984 1.391,985 1.691,986 0.58,987 1.691,988 1.193,989 1.199,990 1.231,991 1.41,992 0.347,993 1.386,994 1.031,995 0.995,996 1.181,997 1.186,998 0.274,999 1.189,1000 0.901,1001 0.856,1002 1.173,1003 1.123,1004 0.218,1005 1.137,1006 0.886,1007 0.821,1008 1.026,1009 1.062,1010 0.155,1011 1.107,1012 4.111,1013 5.468,1014 2.398,1015 7.018,1016 4.844,1017 8.65,1018 7.05,1019 10.323,1022 5.756,1024 4.295,1029 29.077,1030 74.061,1031 128.77,1032 160.823,1033 196.877,1034 202.877,1035 202.877,1036 55.13,1037 7.615,1038 88.41,1039 96.79,1040 23,1041 12.655,1042 4.644,1043 3.858,1044 40.413,1045 109,1046 110,1047 0.18,1048 183.215,1049 308.7,1050 438.804,1051 21976,1052 2.5,1053 19.018,1054 0.704,1055 0.568,1056 19.768,1057 15.342,1058 12.937,1059 0.431,1060 0.326,1061 7.988,1062 11.441,1063 7.696,1064 6.34,1065 14.047,1066 9.791,1067 12.402,1068 0.282,1069 0.18,1070 14.134,1071 7.942,1072 10.382,1073 0.179,1074 0.096,1075 11.762,1076 5.577,1077 8.199,1078 0.111,1079 0.05,1080 9.241,1081 3.691,1082 6.929,1083 0.072,1084 0.028,1085 8.023,1086 2.699,1087 0.286,1088 92.286,1089 0.224,1090 26.058,1091 0.485,1092 148,1093 500.672,1094 214.793,1095 531.665,1096 708.49,1097 488,1098 176,1099 473.208,1100 243.876,1101 522.072,1102 763.39,1103 490,1104 4.429}
{0 CHEMBL205220,1 1.804,2 9.5,3 2.364,4 5.589,5 79.973,6 9.305,7 0.667,8 3.671,9 3.74,10 3.596,11 3.29,12 4.867,13 3.269,14 4.152,15 4.236,16 3.869,17 3.625,18 5.661,19 3.609,20 4.372,21 4.51,22 3.862,23 3.664,24 5.789,25 3.612,26 4.335,27 4.486,28 3.721,29 3.475,30 5.714,31 3.452,32 4.139,33 4.297,34 3.578,35 3.232,36 5.784,37 3.25,38 3.988,39 4.135,40 3.471,41 3.16,42 5.529,43 3.16,44 3.91,45 4.061,46 3.345,47 3.133,48 5.322,49 3.123,50 3.774,51 3.905,52 3.279,53 3.138,54 5.135,55 3.085,56 0.145,57 0.509,58 6.759,59 3.329,60 18.356,61 2.967,62 0.384,63 0.768,64 9.686,65 5.111,66 46.276,67 4.994,68 0.609,69 0.913,70 17.952,71 7.227,72 55.931,73 7.138,74 0.603,75 0.859,76 18.297,77 6.486,78 81.045,79 5.559,80 0.599,81 0.708,82 14.666,83 4.86,84 99.172,85 4.381,86 0.506,87 0.613,88 11.825,89 4.246,90 53.163,91 3.829,92 0.366,93 0.551,94 9.994,95 3.928,96 52.572,97 3.444,98 0.27,99 0.482,100 10.674,101 4.231,102 27.489,103 3.786,104 10,105 34,106 0.325,107 0.543,108 0.657,109 0.812,110 0.863,111 0.863,112 3.146,113 0.988,114 -3.06,115 -3.05,116 -2.94,118 44.1,122 10,123 1,124 1,127 2,129 1,130 9,131 1,132 3,133 3,135 9,136 1,137 7,138 4,140 3,141 6,143 6,144 1,146 6,147 1,148 2,149 4,151 6,153 2,154 6,156 5,159 6,161 2,162 2,163 7,166 4,168 5,170 7,171 594,172 14.662,173 14.662,174 14.662,175 14.662,176 14.662,177 12.42,178 7.317,179 8.657,180 14.819,181 11.844,182 11.844,183 11.844,184 11.844,185 11.844,186 8.381,187 5.648,188 4.11,189 12.086,190 3.283,191 2.072,192 1.436,193 0.577,194 0.294,195 0.294,196 3.823,198 1,199 1,200 452,201 3.606,202 48.601,203 142.392,204 95.19,206 1.409,207 33.563,208 1,209 0.4,210 0.77,211 49,212 209,213 4.844,214 4.681,215 7.293,216 4.294,217 3.374,218 4.694,219 0.98,220 12.405,221 3.089,222 4.495,223 3.559,224 6.337,225 4.039,226 3.037,227 4.424,229 9.744,230 3.028,231 3.866,232 2.882,233 5.796,234 3.494,235 2.485,236 3.259,237 7.77,238 2.498,239 3.553,240 2.044,241 4.927,242 3.034,243 2.034,244 3.05,245 5.385,246 2.033,247 3.032,248 1.784,249 4.414,250 2.535,251 1.535,252 2.298,253 4.312,254 1.532,255 3.013,256 1.532,257 4.138,258 2.532,259 1.532,260 2.222,261 3.666,262 1.532,263 2.709,264 1.43,265 3.653,266 2.25,267 1.262,268 1.788,269 2.869,270 1.242,271 2.608,272 1.309,273 3.576,274 2.12,275 1.12,276 1.597,277 2.701,278 1.116,279 2.5,280 1,281 3.247,282 2,283 1,284 1.5,285 2.136,286 1,287 1.847,288 0.927,289 3.14,290 1.421,291 0.378,292 0.521,293 0.877,294 0.391,295 1.744,296 0.347,297 3,298 1.347,299 0.347,300 0.477,301 0.86,302 0.347,303 1,304 0.13,305 2.565,306 0.241,307 -0.727,308 -0.994,309 -1.633,310 -0.677,311 0.736,312 -0.361,313 2.362,314 0.231,315 -0.768,316 -1.108,318 -1.889,319 -0.77,320 0.729,321 -0.765,322 2,323 0.028,324 -1,325 -1.315,327 -2.347,328 -1,329 0.5,330 -1,331 2,333 -1,334 -1.5,335 -2.625,336 -1,337 10.467,338 0.476,339 0.612,340 0.028,341 32,342 1.455,343 18.5,344 0.841,345 13.5,346 0.614,347 13.012,348 0.591,349 23.133,350 0.68,351 23.07,352 1.049,353 6.448,354 0.293,355 4.112,356 0.187,357 0.096,358 0.08,359 0.239,362 0.568,363 1.021,364 0.777,365 1.147,366 0.643,367 0.813,368 0.638,369 1.129,370 0.867,371 1.091,372 0.582,373 1.007,374 0.86,375 1.088,376 1.132,377 1.131,378 0.863,379 1.055,380 1.507,381 1.171,382 1.221,383 1.098,384 1.542,385 1.045,386 1.3,387 1.125,388 0.972,389 0.938,390 1.207,391 0.88,392 1.231,393 1.05,394 1.02,395 0.903,396 1.295,397 0.867,398 1.539,399 0.838,400 0.949,401 0.756,402 1.631,403 0.823,404 1.262,405 0.838,406 1.272,407 1.079,408 1.035,409 0.907,410 5,411 0.019,412 3.111,413 1.604,414 1.076,415 0.66,416 0.361,417 0.292,418 0.204,419 0.125,420 5217,421 17203,422 2.059,423 35.3,425 10,427 2,429 1.642,430 1.927,431 3.247,432 0.393,434 1,435 1,436 61.351,437 1.804,438 3.016,439 3.651,440 4.511,441 4.793,442 4.793,443 2.681,444 3.732,445 4.436,446 3.384,447 781.751,448 7.599,449 8693.61,450 1,452 1,453 172.974,454 1.529,455 4.381,456 0.208,457 0.002,458 0.092,459 0.05,460 0.041,461 0.029,462 0.017,463 0.015,464 0.011,465 0.008,466 0.474,467 0.33,468 0.595,469 101.814,470 0.068,471 0.1,472 0.208,473 -0.053,474 -0.146,475 0.058,476 0.21,477 -0.08,478 -0.028,479 -0.138,480 0.176,481 -0.158,482 0.143,483 -0.091,484 -0.061,485 -0.088,486 0.064,487 -0.093,488 -0.273,489 -0.176,490 -0.138,491 -0.099,492 -0.26,493 -0.11,494 -0.021,495 -0.107,496 0.035,497 -0.02,498 0.174,499 0.03,500 0.01,501 -0.019,503 0.044,504 -0.001,505 0.036,506 -0.342,507 0.143,508 -0.029,509 0.149,510 -0.284,511 0.091,512 -0.223,513 0.125,514 -0.111,515 0.053,516 -0.057,517 0.09,518 4.734,519 4.984,520 0.682,521 15.727,522 1.03,523 1.113,524 1.826,525 3.333,526 0.714,527 3.219,528 3.555,529 3.784,530 3.97,531 4.143,532 4.094,533 4.094,534 4.127,535 4.078,536 4.043,537 5.731,538 0.698,539 316.36,540 3.219,541 4.762,542 5.602,543 6.479,544 7.339,545 8.217,546 9.084,547 9.962,548 10.832,549 11.711,550 5.9,551 1,552 1,556 2,557 10,560 1,561 2,562 16,566 34,567 19,568 2,569 24,571 36,572 15,573 14,574 3,575 9,576 1,577 3,578 4,583 15,585 3,586 1,587 3,588 1,589 1,590 1,592 1,593 12,594 6,595 2,596 7,597 1,599 2,600 0.667,601 4,604 1,605 2,606 1,608 2,609 1,614 22,615 1,616 2,623 11.8,624 3,625 1,626 11.417,627 5.917,628 4.764,629 1.792,630 2.882,631 1.432,632 1.019,633 3.878,634 9.558,635 3.584,636 4.245,637 4.793,638 5.337,639 5.838,640 6.022,641 6.294,642 6.535,643 6.416,644 6.52,645 1,646 32,647 8.372,649 3.9,650 8.17,651 14.922,653 12.256,655 2.67,656 58.75,659 117.711,660 119.683,661 34.171,663 78.965,665 5.807,666 113.876,667 196.676,668 34.171,670 17.888,671 116.852,672 74.163,673 13.631,674 10.285,675 117.711,677 117.711,678 148.047,679 78.965,680 5.807,682 117.711,683 78.965,684 34.171,685 113.876,686 5.807,688 117.711,689 113.136,690 119.683,691 5.807,692 117.711,693 19.113,694 94.762,695 34.171,696 78.965,697 117.711,698 113.136,699 119.683,700 0.588,701 0.339,702 0.17,703 0.092,704 17,705 7,706 0.111,707 4,708 1,709 1.133,710 3.468,711 168.127,712 0.133,713 15,714 92.107,715 1,716 14.631,717 5.831,718 3.159,719 1.317,720 113.136,721 16.4,724 5.354,725 0.08,726 34.171,727 350.53,728 35,729 -3.817,730 35.928,731 -0.671,732 35.007,733 37.83,734 0.355,735 0.593,736 0.718,737 0.887,738 0.942,739 0.942,740 4.804,741 1.12,742 5.624,743 2.869,744 4.234,745 4.931,746 1.072,747 6.472,748 4.192,749 6.061,750 1,751 7.219,752 2.701,753 4.007,754 5.027,756 7.727,757 3.877,758 7.422,759 0.378,760 8.936,761 2.136,762 5.922,763 7.311,764 1.045,765 10.733,766 5.794,767 8.83,768 0.347,769 10.728,770 0.877,771 6.538,772 8.248,774 12.817,775 6.3,776 10.277,777 -0.727,778 12.57,779 0.86,780 7.973,781 10.048,782 1.019,783 15.437,784 7.723,785 11.751,786 -0.768,787 14.446,788 -1.633,789 8.933,790 11.329,792 17.795,793 8.575,794 13.246,795 -1,796 16.345,797 -1.889,798 10.203,799 12.96,800 0.993,801 20.322,802 9.811,803 3.374,804 -1,805 18.261,806 -2.347,807 11.301,808 14.384,810 22.774,811 10.811,812 3.037,813 12.405,814 20.19,815 -2.625,816 12.516,817 15.95,818 0.967,819 25.282,820 11.973,821 2.485,822 9.744,823 22.129,824 4.694,825 13.672,826 17.434,828 27.769,829 13.038,830 2.034,831 7.77,832 24.075,833 4.424,834 14.871,835 18.976,836 0.942,837 30.277,838 14.171,839 1.535,840 5.385,841 26.029,842 3.259,843 16.051,844 20.486,846 32.779,847 15.265,848 1.532,849 4.312,850 27.987,851 3.05,852 17.247,853 22.02,854 0.917,855 35.289,856 16.387,857 1.262,858 3.666,859 29.949,860 2.298,861 18.439,862 23.542,864 37.799,865 17.494,866 5027,867 9298,868 15.89,869 24.284,870 36.34,871 37.72,872 36.711,873 36.319,874 36.21,875 51.66,876 1.96,877 105.451,878 35.618,879 5.748,880 6.681,881 7.095,882 5.335,883 5.374,884 7.694,885 1.96,886 19.573,887 5.089,888 9.529,889 1.514,890 1.572,891 1.53,892 1.513,893 1.509,894 2.152,895 0.082,896 4.394,897 1.484,898 4.113,899 4.113,900 4.734,901 4.056,902 7.717,903 4.019,904 4.043,905 4.025,906 4.063,907 3.99,908 7.429,909 3.949,910 3.65,911 3.67,912 3.676,913 3.543,914 6.999,915 3.483,916 3.479,917 3.478,918 3.458,919 3.337,920 5.11,921 3.343,922 3.099,923 3.137,924 3.035,925 2.851,926 4.717,927 2.883,928 2.914,929 2.962,930 2.793,931 2.768,932 4.384,933 2.771,934 2.854,935 2.925,936 2.687,937 2.735,938 4.147,939 2.715,940 2.646,941 2.707,942 2.517,943 2.491,944 3.812,945 2.477,946 0.202,947 0.195,948 0.304,949 0.179,950 0.141,951 4.844,952 0.196,953 4.681,954 0.041,955 7.293,956 0.517,957 4.294,958 0.129,959 3.374,960 4.694,961 0.98,962 12.405,963 3.089,964 1.951,965 1.958,966 2.015,967 2.023,968 1.152,969 2.062,970 1.915,971 1.895,972 1.995,973 1.992,974 1.117,975 1.999,976 1.553,977 1.547,978 1.604,979 1.8,980 0.644,981 1.767,982 1.407,983 1.436,984 1.292,985 1.578,986 0.559,987 1.589,988 0.986,989 0.949,990 1.181,991 1.219,992 0.218,993 1.212,994 0.903,995 0.865,996 1.125,997 1.128,998 0.187,999 1.121,1000 0.886,1001 0.821,1002 1.104,1003 1.062,1004 0.157,1005 1.107,1006 0.675,1007 0.603,1008 0.954,1009 0.923,1011 0.947,1012 3.892,1013 5.22,1014 2.398,1015 6.742,1016 4.727,1017 8.341,1018 6.843,1019 9.979,1024 4.159,1029 23.723,1030 61.351,1031 102.535,1032 124.145,1033 153.364,1034 162.974,1035 162.974,1036 44.137,1037 6.676,1038 88.41,1039 96.79,1040 17,1041 12.249,1042 4.322,1043 3.585,1044 34.627,1045 77,1046 64,1047 0.223,1048 149.761,1049 252.83,1050 357.176,1051 6544,1053 15.579,1054 0.708,1055 0.551,1056 15.829,1057 12.131,1058 10.56,1059 0.44,1060 0.329,1061 6.448,1062 9.374,1063 6.225,1064 5.169,1065 11.382,1066 7.903,1067 9.876,1068 0.29,1069 0.182,1070 11.199,1071 6.204,1072 8.037,1073 0.187,1074 0.099,1075 9.128,1076 4.265,1077 6.167,1078 0.119,1079 0.054,1080 7.062,1081 2.788,1082 4.98,1083 0.08,1084 0.029,1085 5.812,1086 1.81,1087 0.351,1088 74.849,1089 0.251,1090 21.853,1091 0.606,1092 116,1093 416.468,1094 167.274,1095 417.331,1096 557.74,1097 382,1098 135,1099 381.345,1100 193.283,1101 417.797,1102 606.77,1103 391,1104 4.738}
{0 CHEMBL205274,1 1.852,2 11,3 3.937,4 15.499,5 101.228,6 10.021,7 0.7,8 3.839,9 3.901,10 3.795,11 3.51,12 5.035,13 3.486,14 4.33,15 4.404,16 4.127,17 3.887,18 5.802,19 3.864,20 4.573,21 4.693,22 4.161,23 3.976,24 5.94,25 3.925,26 4.578,27 4.715,28 4.127,29 3.857,30 5.909,31 3.811,32 4.429,33 4.571,34 4.015,35 3.673,36 6.065,37 3.656,38 4.303,39 4.464,40 3.778,41 3.582,42 5.69,43 3.53,44 4.23,45 4.381,46 3.669,47 3.483,48 5.633,49 3.443,50 4.084,51 4.208,52 3.728,53 3.43,54 5.527,55 3.397,56 0.161,57 0.56,58 5.918,59 3.64,60 19.417,61 3.182,62 0.414,63 0.867,64 8.823,65 5.76,66 48.546,67 5.532,68 0.584,69 1.079,70 20.532,71 8.753,72 55.526,73 8.332,74 0.701,75 1.085,76 22.958,77 8.56,78 95.065,79 6.888,80 0.781,81 0.938,82 18.48,83 6.872,84 119.546,85 6.247,86 0.515,87 0.848,88 17.161,89 6.658,90 47.509,91 6.735,92 0.512,93 0.754,94 15.346,95 6.079,96 68.107,97 5.484,98 0.436,99 0.649,100 11.115,101 5.024,102 59.266,103 4.188,104 17,105 44,106 0.318,107 0.553,108 0.696,109 0.868,110 0.906,111 0.906,112 3.34,113 0.979,114 -4.37,115 -4.3,116 -4.06,118 47.5,122 11,123 3,124 2,127 2,129 1,130 11,131 1,132 5,133 3,134 1,135 15,137 10,138 3,140 5,141 11,143 6,146 7,147 8,148 2,149 7,151 6,152 7,153 1,154 7,155 1,156 4,157 5,159 7,160 1,161 3,162 5,163 5,165 3,166 8,167 2,168 2,169 1,170 8,171 1058,172 17.971,173 17.971,174 17.971,175 17.971,176 17.971,177 15.179,178 8.918,179 10.359,180 18.265,181 14.799,182 14.799,183 14.799,184 14.799,185 14.799,186 10.442,187 6.756,188 4.911,189 15.306,190 3.47,191 2.103,192 1.27,193 0.269,194 0.05,195 0.05,196 4.034,197 1,199 1,200 653,201 3.808,202 48.464,203 221.759,204 189.229,206 1.63,207 39.693,209 0.4,210 0.77,211 59.333,212 297,213 4.848,214 4.683,215 7.297,216 4.301,217 3.381,218 4.809,219 0.98,220 12.427,221 3.222,222 4.713,223 3.554,224 6.766,225 4.22,226 3.22,227 4.701,229 11.138,230 3.077,231 4.1,232 3.186,233 6.02,234 3.734,235 2.726,236 3.667,237 8.566,238 2.739,239 3.834,240 2.889,241 5.534,242 3.309,243 2.392,244 3.392,245 6.945,246 2.209,247 3.672,248 2.317,249 5.224,250 3.197,251 2.197,252 3.154,253 6.519,254 2.148,255 3.263,256 1.85,257 4.882,258 2.765,259 1.765,260 2.639,261 5.326,262 1.765,263 3.012,264 1.801,265 4.619,266 2.541,267 1.593,268 2.197,269 4.452,270 1.488,271 2.939,272 1.722,273 4.172,274 2.432,275 1.443,276 2.127,277 3.69,278 1.389,279 2.817,280 1.388,281 3.792,282 2.335,283 1.34,284 1.894,285 3.062,286 1.31,287 2.614,288 1.278,289 3.59,290 2.11,291 1.117,292 1.658,293 2.543,294 1.1,295 2.5,296 1,297 3.493,298 2,299 1,300 1.5,301 2.531,302 1,303 1.88,304 0.935,305 3.255,306 1.512,307 0.498,308 0.646,309 1.187,310 0.502,311 1.733,312 0.408,313 3.039,314 1.305,315 0.282,316 0.397,318 0.686,319 0.287,320 1,321 0.22,322 2.673,323 0.442,324 -0.403,325 -0.509,327 -0.895,328 -0.255,329 0.943,330 0.124,331 2.463,332 0.419,333 -0.571,334 -0.817,335 -1.447,336 -0.574,337 13.181,338 0.488,339 0.821,340 0.03,341 39.25,342 1.454,343 22.5,344 0.833,345 16.75,346 0.62,347 18.547,348 0.687,349 27.619,350 0.69,351 30.089,352 1.114,353 7.743,354 0.287,355 5.194,356 0.192,357 0.13,358 0.063,359 0.303,362 0.555,363 0.951,364 0.654,365 1.007,366 0.633,367 0.74,368 0.624,369 1.049,370 0.737,371 0.962,372 0.563,373 0.907,374 0.99,375 1.109,376 1.102,377 1.122,378 0.883,379 1.045,380 1.476,381 1.135,382 0.973,383 0.979,384 1.504,385 1.029,386 0.977,387 1.065,388 0.937,389 0.993,390 0.995,391 0.973,392 0.849,393 1.112,394 0.945,395 1.089,396 0.961,397 1.029,398 1.393,399 0.977,400 0.996,401 0.91,402 1.606,403 0.941,404 1.255,405 0.984,406 0.872,407 0.946,408 1.466,409 0.931,410 6.5,411 0.143,412 4,413 2.326,414 1.386,415 1.042,416 0.579,417 0.286,418 0.305,419 0.258,420 9372,421 32609,422 2.088,423 32.5,425 11,427 2,429 1.698,430 1.94,431 3.435,432 0.304,434 1,436 74.061,437 1.852,438 3.219,439 4.052,440 5.053,441 5.272,442 5.272,443 2.894,444 4.31,445 4.731,446 3.598,447 1262.98,448 8.194,449 16281,452 1,453 212.877,454 1.596,455 4.673,456 0.217,457 0.007,458 0.091,459 0.053,460 0.037,461 0.031,462 0.02,463 0.011,464 0.012,465 0.011,466 0.489,467 0.17,468 0.584,469 134.329,470 0.059,471 0.118,472 0.12,473 -0.038,474 -0.139,475 0.061,476 0.178,477 -0.03,478 -0.022,479 -0.079,480 0.173,481 -0.103,482 -0.04,483 -0.119,484 -0.132,485 -0.119,486 0.005,487 -0.101,488 -0.309,489 -0.119,490 -0.037,491 0.004,492 -0.283,493 -0.089,494 0.166,495 -0.023,496 0.034,497 -0.064,498 0.276,499 -0.038,500 0.097,501 -0.084,502 0.001,503 -0.094,504 0.055,505 -0.021,506 -0.225,507 0.012,508 -0.067,509 0.069,510 -0.214,511 0.042,512 -0.132,513 0.012,514 0.051,515 0.029,516 -0.167,517 -0.001,518 4.854,519 5.397,520 0.704,521 22.623,522 1.03,523 1.105,524 3.14,525 9.859,526 0.748,527 3.434,528 3.807,529 4.078,530 4.331,531 4.585,532 4.625,533 4.762,534 4.852,535 4.844,536 4.913,537 6.58,538 0.727,539 400.86,540 3.434,541 5.004,542 5.866,543 6.765,544 7.648,545 8.548,546 9.44,547 10.341,548 11.236,549 12.138,550 5,551 1,552 1,556 4,557 11,560 1,561 3,562 21,565 1,566 40,567 24,568 3,569 30,571 43,572 19,573 18,574 7,575 11,576 1,577 4,578 7,579 1,583 19,585 3,586 1,587 3,588 1,590 1,592 1,593 13,594 6,595 2,596 8,597 2,599 2,600 0.5,601 4,604 1,605 3,606 2,608 2,609 1,612 1,614 27,615 1,616 2,622 1,623 10,624 3,625 1,626 13.917,627 7.143,628 5.736,629 2.175,630 4.071,631 1.535,632 1.046,633 4.557,634 11.686,635 3.795,636 4.508,637 5.13,638 5.768,639 6.393,640 6.758,641 7.254,642 7.677,643 7.882,644 8.197,645 1,646 44,647 10.257,649 4.825,650 8.087,651 18.446,653 15.529,655 2.587,656 69.861,658 1,659 129.482,660 137.806,661 34.171,662 39.149,663 78.965,665 5.807,666 131.999,667 247.596,668 34.171,670 17.888,671 126.329,672 74.163,673 22.89,674 9.672,675 129.482,676 39.149,677 129.482,678 166.169,679 78.965,680 44.956,682 129.482,683 78.965,684 34.171,685 131.999,686 44.956,688 129.482,689 113.136,690 176.955,691 5.807,692 129.482,693 27.76,694 104.239,695 34.171,696 118.114,697 129.482,698 113.136,699 176.955,700 0.597,701 0.347,702 0.18,703 0.104,704 23,705 10,706 0.093,707 4,708 2,709 1.211,710 3.878,711 234.743,712 0.211,713 19,714 126.382,715 1,716 17.86,717 6.889,718 3.515,719 3.011,720 113.136,721 18.114,724 5.715,725 0.524,726 34.171,727 419.573,728 43.5,729 -3.937,730 36.93,731 -0.59,732 41.215,733 44.189,734 0.348,735 0.605,736 0.761,737 0.949,738 0.991,739 0.991,740 5.039,741 1.443,742 5.9,743 4.452,744 4.489,745 5.196,746 1.072,747 6.774,748 4.428,749 6.313,750 1.34,751 7.508,752 3.69,753 4.29,754 5.33,756 7.991,757 4.138,758 7.684,759 1.117,760 9.229,761 3.062,762 6.192,763 7.618,764 1.045,765 11.035,766 6.059,767 9.098,768 1,769 11.019,770 2.543,771 6.804,772 8.567,774 13.073,775 6.579,776 10.547,777 0.498,778 12.853,779 2.531,780 8.237,781 10.385,782 1.019,783 15.714,784 8.015,785 12.022,786 0.282,787 14.719,788 1.187,789 9.19,790 11.683,792 18.047,793 8.887,794 13.517,795 -0.403,796 16.608,797 0.686,798 10.461,799 13.334,800 0.993,801 20.578,802 10.14,803 3.381,804 -0.571,805 18.514,806 -0.895,807 11.557,808 14.782,810 23.014,811 11.167,812 3.22,813 12.427,814 20.434,815 -1.447,816 12.772,817 16.373,818 0.967,819 25.516,820 12.349,821 2.726,822 11.138,823 22.363,824 4.809,825 13.927,826 17.885,828 27.991,829 13.444,830 2.392,831 8.566,832 24.301,833 4.701,834 15.127,835 19.454,836 0.942,837 30.489,838 14.602,839 2.197,840 6.945,841 26.246,842 3.667,843 16.306,844 20.993,846 32.979,847 15.727,848 1.765,849 6.519,850 28.196,851 3.392,852 17.504,853 22.555,854 0.917,855 35.479,856 16.877,857 1.593,858 5.326,859 30.151,860 3.154,861 18.695,862 24.107,864 37.978,865 18.016,866 8821,867 16635,868 19.879,869 29.903,870 46.149,871 47.688,872 47.098,873 46.218,874 45.909,875 65.562,876 1.96,877 138.143,878 44.475,879 5.75,880 6.683,881 6.977,882 5.35,883 5.381,884 7.809,885 1.96,886 19.665,887 5.222,888 13.053,889 1.538,890 1.59,891 1.57,892 1.541,893 1.53,894 2.185,895 0.065,896 4.605,897 1.482,898 4.2,899 4.201,900 4.736,901 4.122,902 7.717,903 4.13,904 4.06,905 4.035,906 4.169,907 4.048,908 7.429,909 3.962,910 3.738,911 3.766,912 3.914,913 3.658,914 6.999,915 3.656,916 3.629,917 3.629,918 3.672,919 3.555,920 5.184,921 3.48,922 3.342,923 3.342,924 3.32,925 3.143,926 4.923,927 3.172,928 2.995,929 3.042,930 3.216,931 2.888,932 4.518,933 2.88,934 2.977,935 3.016,936 2.908,937 2.794,938 4.308,939 2.789,940 2.878,941 2.921,942 2.872,943 2.769,944 4.267,945 2.765,946 0.162,947 0.156,948 0.243,949 0.143,950 0.113,951 4.848,952 0.16,953 4.683,954 0.033,955 7.297,956 0.414,957 4.301,958 0.107,959 3.381,960 4.809,961 0.98,962 12.427,963 3.222,964 1.997,965 1.984,966 2.07,967 2.056,968 1.231,969 2.068,970 1.946,971 1.956,972 1.953,973 2.005,974 1.152,975 2.038,976 1.83,977 1.817,978 1.928,979 1.955,980 0.993,981 1.944,982 1.47,983 1.491,984 1.394,985 1.694,986 0.59,987 1.695,988 1.194,989 1.199,990 1.231,991 1.414,992 0.348,993 1.389,994 1.031,995 0.995,996 1.185,997 1.187,998 0.277,999 1.189,1000 0.902,1001 0.856,1002 1.118,1003 1.124,1004 0.167,1005 1.139,1006 0.867,1007 0.824,1008 1.042,1009 1.012,1010 0.151,1011 1.055,1012 4.111,1013 5.468,1014 2.398,1015 7.018,1016 4.844,1017 8.651,1018 7.05,1019 10.326,1022 5.813,1024 4.282,1029 29.077,1030 74.061,1031 128.77,1032 162.068,1033 202.122,1034 210.877,1035 210.877,1036 55.442,1037 7.615,1038 88.41,1039 96.79,1040 23,1041 12.66,1042 4.644,1043 3.858,1044 40.386,1045 108,1046 91,1047 0.182,1048 183.215,1049 308.7,1050 438.804,1051 21976,1052 2.5,1053 19.018,1054 0.704,1055 0.568,1056 19.768,1057 15.342,1058 12.937,1059 0.431,1060 0.326,1061 7.988,1062 11.441,1063 7.695,1064 6.342,1065 14.047,1066 9.791,1067 12.414,1068 0.282,1069 0.181,1070 14.146,1071 7.945,1072 10.302,1073 0.178,1074 0.095,1075 11.643,1076 5.525,1077 8.301,1078 0.111,1079 0.052,1080 9.483,1081 3.886,1082 7.119,1083 0.073,1084 0.028,1085 8.422,1086 2.745,1087 0.289,1088 92.286,1089 0.224,1090 25.997,1091 0.493,1092 148,1093 500.672,1094 214.793,1095 531.73,1096 708.51,1097 488,1098 176,1099 473.208,1100 243.876,1101 522.209,1102 763.7,1103 490,1104 4.456}
{0 CHEMBL205475,1 1.695,2 10.963,3 3.759,4 14.128,5 101.465,6 8.848,7 0.7,8 3.893,9 3.969,10 3.756,11 3.537,12 5.052,13 3.507,14 4.393,15 4.494,16 4.066,17 3.91,18 5.799,19 3.881,20 4.619,21 4.752,22 4.139,23 4.02,24 5.923,25 3.964,26 4.683,27 4.831,28 4.044,29 3.939,30 5.988,31 3.884,32 4.619,33 4.804,34 3.844,35 3.746,36 6.092,37 3.703,38 4.406,39 4.605,40 3.725,41 3.625,42 5.701,43 3.562,44 4.3,45 4.472,46 3.651,47 3.522,48 5.668,49 3.482,50 4.179,51 4.317,52 3.62,53 3.482,54 5.537,55 3.443,56 0.133,57 0.612,58 8.834,59 4.177,60 16.316,61 4.141,62 0.372,63 0.958,64 13.849,65 6.71,66 49.759,67 7.255,68 0.437,69 1.177,70 20.637,71 9.189,72 47.038,73 9.578,74 0.523,75 1.258,76 26.957,77 9.959,78 71.352,79 9.339,80 0.76,81 1.168,82 23.345,83 8.112,84 134.716,85 8.192,86 0.458,87 0.975,88 20.14,89 7.224,90 46.38,91 8.086,92 0.398,93 0.824,94 16.991,95 6.455,96 53.596,97 6.672,98 0.382,99 0.725,100 13.876,101 5.477,102 61.54,103 4.938,104 17,105 44,106 0.288,107 0.57,108 0.689,109 0.847,110 0.894,111 0.894,112 3.34,113 0.973,114 -4.1,115 -4.05,116 -3.83,118 46.5,119 1,122 11,123 4,124 1,127 2,129 1,130 14,131 1,132 5,133 3,134 1,135 15,137 10,138 3,140 5,141 13,143 10,146 9,147 8,148 2,149 5,151 7,152 7,153 1,154 7,155 1,156 3,157 5,159 9,160 1,161 3,162 7,163 4,165 3,166 11,167 2,168 2,169 1,170 10,171 1045,172 18.024,173 18.024,174 18.024,175 18.024,176 18.024,177 15.203,178 8.472,179 10.404,180 18.17,181 14.787,182 14.787,183 14.787,184 14.787,185 14.787,186 10.423,187 6.252,188 4.906,189 15.018,190 3.731,191 2.067,192 1.368,193 0.436,194 0.157,195 0.157,196 4.034,198 1,199 1,200 651,201 3.808,202 48.102,203 220.789,204 187.826,206 1.602,207 36.915,209 0.4,210 0.77,211 59,212 296,213 4.878,214 4.704,215 7.388,216 4.345,217 3.422,218 4.809,219 0.98,220 12.794,221 3.223,222 4.713,223 3.555,224 6.766,225 4.22,226 3.22,227 4.735,229 11.138,230 3.128,231 4.101,232 3.186,233 6.021,234 3.737,235 2.728,236 3.667,237 8.57,238 2.744,239 3.833,240 2.511,241 5.572,242 3.366,243 2.366,244 3.387,245 7.049,246 2.363,247 3.671,248 2.317,249 5.528,250 3.196,251 2.194,252 3.153,253 6.918,254 2.197,255 3.263,256 1.846,257 4.882,258 2.765,259 1.764,260 2.639,261 5.325,262 1.764,263 2.945,264 1.723,265 4.281,266 2.477,267 1.479,268 2.132,269 3.821,270 1.471,271 2.864,272 1.523,273 4.073,274 2.414,275 1.414,276 2.023,277 3.209,278 1.414,279 2.822,280 1.429,281 3.791,282 2.358,283 1.361,284 1.906,285 3.062,286 1.355,287 2.663,288 1.388,289 3.606,290 2.157,291 1.161,292 1.716,293 2.853,294 1.151,295 2.5,296 1,297 3.589,298 2,299 1,300 1.5,301 2.538,302 1,303 1.88,304 0.937,305 3.244,306 1.518,307 0.504,308 0.65,309 1.195,310 0.509,311 1.734,312 0.421,313 3.039,314 1.308,315 0.286,316 0.403,318 0.695,319 0.291,320 1.097,321 0.363,322 2.682,323 0.746,324 -0.233,325 -0.291,327 -0.515,328 -0.225,329 1,330 -0.266,331 2.463,332 0.442,333 -0.571,334 -0.821,335 -1.447,336 -0.575,337 12.967,338 0.48,339 0.804,340 0.03,341 39,342 1.444,343 22.5,344 0.833,345 16.5,346 0.611,347 18.82,348 0.697,349 27.833,350 0.647,351 30.054,352 1.113,353 7.727,354 0.286,355 5.227,356 0.194,357 0.116,358 0.064,359 0.308,362 0.546,363 0.976,364 0.768,365 1.082,366 0.632,367 0.812,368 0.594,369 1.005,370 0.798,371 0.978,372 0.547,373 0.893,374 0.929,375 1.107,376 1.018,377 1.083,378 0.867,379 1.012,380 1.415,381 1.292,382 1.399,383 1.31,384 1.344,385 1.144,386 1.442,387 0.98,388 1.062,389 0.827,390 1.51,391 0.936,392 0.904,393 0.983,394 0.976,395 0.944,396 0.932,397 0.887,398 1.347,399 0.973,400 0.963,401 0.902,402 1.512,403 0.876,404 1.654,405 0.922,406 1.079,407 0.889,408 1.91,409 0.928,410 6,411 0.177,412 4.222,413 2.701,414 1.226,415 0.986,416 0.62,417 0.317,418 0.281,419 0.248,420 9280,421 27803,422 2.088,423 37.2,424 3,425 11,427 2,429 1.698,430 1.94,431 3.411,432 0.267,434 1,436 72.891,437 1.695,438 3.36,439 4.059,440 4.99,441 5.269,442 5.269,443 2.863,444 4.459,445 4.732,446 3.575,447 1254.77,448 8.196,449 16122.3,452 1,453 233.329,454 1.596,455 4.673,456 0.2,457 0.008,458 0.096,459 0.06,460 0.031,461 0.031,462 0.021,463 0.012,464 0.011,465 0.01,466 0.481,467 0.33,468 0.584,469 134.071,470 0.086,471 0.106,472 0.198,473 -0.027,474 -0.14,475 0.061,476 0.24,477 0.022,478 0.052,479 -0.029,480 0.197,481 -0.016,482 0.028,483 -0.107,484 -0.022,485 -0.07,486 0.017,487 -0.076,488 -0.234,489 -0.269,490 -0.246,491 -0.239,492 -0.148,493 -0.201,494 -0.125,495 0.05,496 -0.094,497 0.074,498 -0.006,499 -0.008,500 0.079,501 0.056,502 0.082,503 0.041,504 0.066,505 0.108,506 -0.129,507 0.002,508 0.047,509 0.065,510 -0.102,511 0.088,512 -0.329,513 0.067,514 -0.092,515 0.081,516 -0.346,517 -0.024,518 4.777,519 5.441,520 0.704,521 22.159,522 1.018,523 1.108,524 2.872,525 8.248,526 0.716,527 3.434,528 3.807,529 4.094,530 4.357,531 4.564,532 4.615,533 4.754,534 4.868,535 4.844,536 4.913,537 6.504,538 0.692,539 380.45,540 3.434,541 5.004,542 5.872,543 6.774,544 7.66,545 8.565,546 9.456,547 10.363,548 11.258,549 12.166,550 4.7,551 1,552 1,556 4,557 11,560 1,561 3,562 21,566 43,567 24,568 3,569 30,571 46,572 20,573 18,574 7,575 11,576 1,577 4,578 7,580 1,583 19,584 1,585 3,586 1,587 3,588 1,590 1,592 1,593 16,594 6,595 2,596 7,597 1,599 2,600 0.5,601 4,604 1,605 3,606 2,608 2,609 1,611 1,614 27,615 1,616 2,623 9.3,624 3,625 1,626 13.917,627 8,628 5.764,629 2.396,630 4.098,631 1.538,632 1.042,633 4.381,634 11.714,635 3.795,636 4.508,637 5.139,638 5.784,639 6.376,640 6.751,641 7.243,642 7.691,643 7.883,644 8.197,645 1,646 45,647 10.263,649 4.784,650 8.009,651 18.66,653 15.699,655 2.509,656 67.75,658 1,659 164.795,660 146.316,661 34.171,663 78.965,665 5.807,666 140.509,667 243.761,668 34.171,669 8.825,670 17.888,671 126.329,672 74.163,673 22.575,674 9.672,675 164.795,677 164.795,678 174.68,679 78.965,680 5.807,682 164.795,683 78.965,684 42.996,685 131.684,686 5.807,688 164.795,689 113.136,690 146.316,691 5.807,692 164.795,693 27.445,694 113.064,695 34.171,696 78.965,697 164.795,698 113.136,699 146.316,700 0.596,701 0.354,702 0.188,703 0.099,704 23,705 10,706 0.087,707 4,708 2,709 1.211,710 3.861,711 235.857,712 0.211,713 19,714 124.382,715 1,716 17.588,717 6.726,718 3.295,719 3.071,720 113.136,721 19.023,724 5.729,725 1.022,726 34.171,727 424.248,728 43.5,729 -3.861,730 37.228,731 -0.556,732 43.774,733 47.661,734 0.312,735 0.619,736 0.748,737 0.92,738 0.971,739 0.971,740 5.039,741 1.414,742 5.905,743 3.821,744 4.489,745 5.196,746 1.072,747 6.792,748 4.456,749 6.313,750 1.361,751 7.521,752 3.209,753 4.29,754 5.33,756 8.032,757 4.194,758 7.685,759 1.161,760 9.252,761 3.062,762 6.201,763 7.622,764 1.045,765 11.098,766 6.103,767 9.103,768 1,769 11.052,770 2.853,771 6.825,772 8.579,774 13.162,775 6.645,776 10.556,777 0.504,778 12.898,779 2.538,780 8.262,781 10.398,782 1.019,783 15.827,784 8.07,785 12.036,786 0.286,787 14.774,788 1.195,789 9.231,790 11.704,792 18.185,793 8.956,794 13.535,795 -0.233,796 16.674,797 0.695,798 10.507,799 13.356,800 0.993,801 20.743,802 10.204,803 3.422,804 -0.571,805 18.59,806 -0.515,807 11.616,808 14.81,810 23.207,811 11.24,812 3.22,813 12.794,814 20.52,815 -1.447,816 12.84,817 16.402,818 0.967,819 25.739,820 12.421,821 2.728,822 11.138,823 22.461,824 4.809,825 14.006,826 17.919,828 28.243,829 13.522,830 2.366,831 8.57,832 24.409,833 4.735,834 15.216,835 19.49,836 0.942,837 30.772,838 14.681,839 2.194,840 7.049,841 26.365,842 3.667,843 16.407,844 21.033,846 33.293,847 15.81,848 1.764,849 6.918,850 28.327,851 3.387,852 17.614,853 22.598,854 0.917,855 35.825,856 16.963,857 1.479,858 5.325,859 30.293,860 3.153,861 18.817,862 24.153,864 38.355,865 18.106,866 8736,867 15294,868 19.879,869 30.807,870 46.037,871 47.806,872 47.296,873 45.895,874 45.8,875 65.438,876 1.96,877 138.336,878 45.219,879 5.782,880 6.704,881 7.071,882 5.389,883 5.422,884 7.809,885 1.96,886 20.416,887 5.223,888 12.927,889 1.535,890 1.594,891 1.577,892 1.53,893 1.527,894 2.181,895 0.065,896 4.611,897 1.507,898 4.2,899 4.202,900 4.735,901 4.124,902 7.717,903 4.13,904 4.07,905 4.051,906 4.169,907 4.056,908 7.429,909 3.976,910 3.741,911 3.769,912 3.716,913 3.659,914 6.999,915 3.657,916 3.637,917 3.641,918 3.667,919 3.555,920 5.183,921 3.478,922 3.342,923 3.343,924 3.316,925 3.142,926 4.707,927 3.171,928 3.169,929 3.256,930 2.962,931 3.021,932 4.518,933 2.995,934 2.994,935 3.042,936 2.908,937 2.888,938 4.278,939 2.88,940 2.977,941 3.015,942 2.872,943 2.769,944 4.115,945 2.787,946 0.163,947 0.157,948 0.246,949 0.145,950 0.114,951 4.878,952 0.16,953 4.704,954 0.033,955 7.388,956 0.426,957 4.345,958 0.107,959 3.422,960 4.809,961 0.98,962 12.794,963 3.223,964 1.998,965 1.987,966 2.07,967 2.06,968 1.232,969 2.083,970 1.971,971 1.971,972 2.022,973 2.028,974 1.211,975 2.05,976 1.83,977 1.817,978 1.929,979 1.958,980 0.993,981 1.946,982 1.479,983 1.499,984 1.552,985 1.71,986 0.632,987 1.717,988 1.209,989 1.199,990 1.396,991 1.419,992 0.585,993 1.469,994 1.191,995 1.126,996 1.231,997 1.417,998 0.348,999 1.392,1000 1.031,1001 0.995,1002 1.185,1003 1.187,1004 0.277,1005 1.189,1006 0.901,1007 0.856,1008 1.118,1009 1.124,1010 0.162,1011 1.139,1012 4.111,1013 5.468,1014 2.398,1015 7.024,1016 4.844,1017 8.665,1018 7.05,1019 10.35,1021 1.689,1024 4.405,1029 29.777,1030 72.891,1031 144.467,1032 174.521,1033 214.574,1034 226.574,1035 226.574,1036 54.581,1037 7.615,1038 88.41,1039 96.79,1040 23,1041 12.685,1042 4.644,1043 3.858,1044 40.37,1045 107,1046 89,1047 0.184,1048 184.474,1049 310.79,1050 441.877,1051 21976,1053 19.018,1054 0.704,1055 0.563,1056 19.268,1057 15.209,1058 12.954,1059 0.432,1060 0.324,1061 8.276,1062 11.781,1063 7.948,1064 6.604,1065 13.775,1066 9.73,1067 12.314,1068 0.28,1069 0.177,1070 13.619,1071 7.785,1072 10.376,1073 0.176,1074 0.097,1075 11.487,1076 5.729,1077 8.615,1078 0.112,1079 0.053,1080 9.681,1081 4.053,1082 6.912,1083 0.073,1084 0.027,1085 7.742,1086 2.555,1087 0.291,1088 89.212,1089 0.224,1090 25.942,1091 0.5,1092 148,1093 474.468,1094 199.274,1095 478.227,1096 650.23,1097 440,1098 177,1099 457.345,1100 236.788,1101 498.001,1102 729.02,1103 467,1104 5.495}
{0 CHEMBL205902,1 1.722,2 10.885,3 3.273,4 10.709,5 96.423,6 9.16,7 0.724,8 3.832,9 3.902,10 3.729,11 3.484,12 5.012,13 3.46,14 4.321,15 4.406,16 4.03,17 3.851,18 5.769,19 3.828,20 4.56,21 4.696,22 4.059,23 3.931,24 5.896,25 3.883,26 4.568,27 4.717,28 3.937,29 3.8,30 5.892,31 3.765,32 4.41,33 4.574,34 3.789,35 3.63,36 5.933,37 3.602,38 4.294,39 4.466,40 3.693,41 3.557,42 5.656,43 3.505,44 4.221,45 4.382,46 3.587,47 3.446,48 5.614,49 3.41,50 4.071,51 4.21,52 3.553,53 3.389,54 5.42,55 3.348,56 0.138,57 0.571,58 7.666,59 3.812,60 16.328,61 3.532,62 0.369,63 0.884,64 11.198,65 5.986,66 45.134,67 6.04,68 0.476,69 1.104,70 20.052,71 8.68,72 44.664,73 8.723,74 0.586,75 1.105,76 21.338,77 8.251,78 79.02,79 7.223,80 0.597,81 0.963,82 17.199,83 6.622,84 102.146,85 6.468,86 0.425,87 0.863,88 16.705,89 6.523,90 38.809,91 6.873,92 0.429,93 0.764,94 15.14,95 5.904,96 56.904,97 5.622,98 0.336,99 0.661,100 11.815,101 4.957,102 48.053,103 4.388,104 10,105 42,106 0.296,107 0.51,108 0.637,109 0.813,110 0.871,111 0.871,112 3.304,113 0.963,114 -3.87,115 -3.83,116 -3.64,118 47.5,122 12,123 3,124 1,127 2,129 1,130 13,131 1,132 5,133 3,134 1,135 14,137 10,138 3,140 5,141 11,143 8,146 8,147 7,148 2,149 5,151 6,152 7,153 1,154 7,155 1,156 3,157 5,159 8,160 1,161 3,162 6,163 4,165 3,166 9,167 2,168 2,169 1,170 8,171 950,172 17.524,173 17.524,174 17.524,175 17.524,176 17.524,177 14.756,178 7.317,179 10.234,180 17.681,181 14.316,182 14.316,183 14.316,184 14.316,185 14.316,186 10.031,187 5.648,188 4.85,189 14.557,190 3.6,191 2.351,192 1.616,193 0.59,194 0.25,195 0.25,196 4.001,198 1,199 1,200 626,201 3.742,202 45.716,203 210.951,204 178.969,206 1.604,207 35.835,208 1,209 0.4,210 0.77,211 57,212 283,213 4.844,214 4.681,215 7.293,216 4.295,217 3.374,218 4.809,219 0.98,220 12.405,221 3.222,222 4.713,223 3.554,224 6.766,225 4.22,226 3.22,227 4.694,229 11.138,230 3.074,231 4.1,232 3.186,233 6.02,234 3.734,235 2.725,236 3.667,237 8.566,238 2.738,239 3.675,240 2.318,241 5.534,242 3.204,243 2.202,244 3.158,245 6.944,246 2.204,247 3.553,248 2.044,249 4.93,250 3.034,251 2.034,252 3.049,253 5.402,254 2.033,255 3.263,256 1.845,257 4.881,258 2.764,259 1.764,260 2.639,261 5.312,262 1.764,263 2.945,264 1.723,265 4.191,266 2.476,267 1.478,268 2.132,269 3.758,270 1.471,271 2.823,272 1.43,273 3.792,274 2.359,275 1.362,276 1.911,277 3.062,278 1.356,279 2.697,280 1.388,281 3.648,282 2.183,283 1.186,284 1.761,285 2.76,286 1.177,287 2.5,288 1,289 3.588,290 2,291 1,292 1.5,293 2.538,294 1,295 2.5,296 1,297 3.247,298 2,299 1,300 1.5,301 2.136,302 1,303 1.88,304 0.931,305 3.183,306 1.511,307 0.498,308 0.646,309 1.183,310 0.502,311 1.733,312 0.408,313 3.029,314 1.305,315 0.281,316 0.397,318 0.685,319 0.287,320 1,321 0.128,322 2.589,323 0.442,324 -0.571,325 -0.816,327 -1.447,328 -0.574,329 0.928,330 -0.301,331 2.447,332 0.303,333 -0.697,334 -1.015,335 -1.633,336 -0.678,337 12.467,338 0.479,339 0.714,340 0.027,341 38.5,342 1.481,343 22.5,344 0.865,345 16,346 0.615,347 16.52,348 0.635,349 26.533,350 0.663,351 29.016,352 1.116,353 7.67,354 0.295,355 4.873,356 0.187,357 0.08,358 0.067,359 0.281,362 0.549,363 0.953,364 0.759,365 1.072,366 0.631,367 0.782,368 0.612,369 1.054,370 0.845,371 1.032,372 0.566,373 0.959,374 0.941,375 1.105,376 1.078,377 1.114,378 0.852,379 1.016,380 1.539,381 1.136,382 1.209,383 1.061,384 1.487,385 1.048,386 1.183,387 1.037,388 0.991,389 0.885,390 1.155,391 0.936,392 0.894,393 1.085,394 1.023,395 1.051,396 0.967,397 0.981,398 1.425,399 0.971,400 1.046,401 0.907,402 1.602,403 0.917,404 1.432,405 0.98,406 1.04,407 0.95,408 1.603,409 0.964,410 5.5,411 0.135,412 3.778,413 2.139,414 1.034,415 0.986,416 0.579,417 0.254,418 0.256,419 0.238,420 8529,421 26528,422 2.115,423 35,425 12,427 2,429 1.688,430 1.987,431 3.41,432 0.289,433 1,434 1,436 68.864,437 1.722,438 2.971,439 3.706,440 4.732,441 5.072,442 5.072,443 2.874,444 4.287,445 4.676,446 3.558,447 1156.26,448 8.084,449 14454.1,450 1,451 1,452 1,453 212.877,454 1.508,455 4.629,456 0.19,457 0.007,458 0.09,459 0.051,460 0.03,461 0.032,462 0.021,463 0.01,464 0.011,465 0.011,466 0.452,467 0.33,468 0.54,469 127.581,470 0.08,471 0.115,472 0.197,473 -0.032,474 -0.14,475 0.064,476 0.221,477 -0.036,478 -0.024,479 -0.104,480 0.177,481 -0.121,482 0.021,483 -0.115,484 -0.054,485 -0.095,486 0.037,487 -0.063,488 -0.305,489 -0.129,490 -0.179,491 -0.079,492 -0.237,493 -0.116,494 -0.018,495 0.002,496 -0.039,497 0.03,498 0.131,499 -0.006,500 0.087,501 -0.067,502 0.032,503 -0.052,504 0.064,505 0.012,506 -0.191,507 0.008,508 -0.026,509 0.067,510 -0.172,511 0.05,512 -0.259,513 0.011,514 -0.041,515 0.031,516 -0.275,517 -0.036,518 4.747,519 5.356,520 0.731,521 21.615,522 1.022,523 1.106,524 2.644,525 6.993,526 0.726,527 3.401,528 3.761,529 4.043,530 4.29,531 4.533,532 4.585,533 4.727,534 4.828,535 4.82,536 4.883,537 6.392,538 0.706,539 366.42,540 3.401,541 4.963,542 5.826,543 6.72,544 7.603,545 8.502,546 9.392,547 10.293,548 11.187,549 12.089,550 5,551 1,552 1,556 4,557 12,560 1,561 2,562 21,566 40,567 24,568 3,569 29,571 43,572 19,573 18,574 6,575 12,576 1,577 4,578 7,583 19,585 3,586 1,587 3,588 1,589 1,590 1,592 1,593 14,594 6,595 2,596 7,597 1,599 2,600 0.5,601 4,604 1,605 3,606 2,608 2,609 1,614 26,615 1,616 2,623 10,624 3,625 1,626 13.083,627 7.083,628 5.569,629 2.194,630 4.035,631 1.536,632 1.051,633 4.149,634 11.564,635 3.773,636 4.474,637 5.103,638 5.739,639 6.356,640 6.731,641 7.235,642 7.671,643 7.877,644 8.19,645 1,646 42,647 9.87,649 4.614,650 8.042,651 17.885,653 15.052,655 2.542,656 66.083,658 1,659 141.253,660 143.782,661 34.171,663 78.965,665 5.807,666 137.974,667 220.218,668 34.171,670 17.888,671 135.805,672 74.163,673 19.39,674 9.672,675 141.253,677 141.253,678 172.145,679 78.965,680 5.807,682 141.253,683 78.965,684 34.171,685 137.974,686 5.807,688 141.253,689 113.136,690 143.782,691 5.807,692 141.253,693 24.259,694 113.715,695 34.171,696 78.965,697 141.253,698 113.136,699 143.782,700 0.592,701 0.348,702 0.181,703 0.101,704 22,705 9,706 0.093,707 4,708 2,709 1.211,710 3.827,711 222.598,712 0.211,713 19,714 116.211,715 1,716 16.64,717 6.483,718 3.202,719 3.068,720 113.136,721 20.264,724 5.716,725 0.386,726 34.171,727 398.171,728 42.5,729 -3.83,730 36.702,731 -0.559,732 40.891,733 44.245,734 0.323,735 0.558,736 0.696,737 0.889,738 0.953,739 0.953,740 5.006,741 1.362,742 5.849,743 3.758,744 4.443,745 5.162,746 1.072,747 6.723,748 4.409,749 6.273,750 1.186,751 7.455,752 3.062,753 4.205,754 5.263,756 7.953,757 4.099,758 7.639,759 1,760 9.178,761 2.76,762 6.142,763 7.582,764 1.045,765 11.001,766 6.041,767 9.052,768 1,769 10.973,770 2.538,771 6.746,772 8.524,774 13.057,775 6.558,776 10.503,777 0.498,778 12.814,779 2.136,780 8.196,781 10.356,782 1.019,783 15.696,784 8.001,785 11.98,786 0.281,787 14.687,788 1.183,789 9.151,790 11.655,792 18.035,793 8.874,794 13.478,795 -0.571,796 16.582,797 0.685,798 10.429,799 13.312,800 0.993,801 20.564,802 10.13,803 3.374,804 -0.697,805 18.493,806 -1.447,807 11.528,808 14.763,810 23.001,811 11.158,812 3.22,813 12.405,814 20.416,815 -1.633,816 12.747,817 16.356,818 0.967,819 25.502,820 12.342,821 2.725,822 11.138,823 22.349,824 4.809,825 13.903,826 17.87,828 27.976,829 13.437,830 2.202,831 8.566,832 24.289,833 4.694,834 15.105,835 19.441,836 0.942,837 30.472,838 14.596,839 2.034,840 6.944,841 26.235,842 3.667,843 16.285,844 20.981,846 32.961,847 15.721,848 1.764,849 5.402,850 28.186,851 3.158,852 17.482,853 22.544,854 0.917,855 35.459,856 16.872,857 1.478,858 5.312,859 30.142,860 3.049,861 18.673,862 24.096,864 37.956,865 18.01,866 7991,867 14262,868 19.474,869 29.046,870 44.347,871 45.862,872 44.891,873 44.35,874 44.249,875 63.725,876 1.96,877 131.775,878 43.657,879 5.745,880 6.681,881 7.095,882 5.333,883 5.374,884 7.809,885 1.96,886 19.572,887 5.222,888 10.815,889 1.529,890 1.581,891 1.548,892 1.529,893 1.526,894 2.197,895 0.068,896 4.544,897 1.505,898 4.2,899 4.201,900 4.734,901 4.122,902 7.717,903 4.13,904 4.057,905 4.035,906 4.169,907 4.043,908 7.429,909 3.955,910 3.737,911 3.766,912 3.687,913 3.658,914 6.999,915 3.656,916 3.623,917 3.63,918 3.659,919 3.537,920 5.183,921 3.466,922 3.342,923 3.343,924 3.316,925 3.142,926 4.717,927 3.171,928 2.994,929 3.042,930 2.909,931 2.888,932 4.518,933 2.88,934 2.977,935 3.016,936 2.872,937 2.769,938 4.278,939 2.787,940 2.854,941 2.925,942 2.687,943 2.735,944 4.115,945 2.715,946 0.167,947 0.161,948 0.251,949 0.148,950 0.116,951 4.844,952 0.166,953 4.681,954 0.034,955 7.293,956 0.428,957 4.295,958 0.111,959 3.374,960 4.809,961 0.98,962 12.405,963 3.222,964 1.997,965 1.984,966 2.07,967 2.057,968 1.231,969 2.073,970 1.95,971 1.955,972 1.995,973 2.015,974 1.152,975 2.044,976 1.83,977 1.817,978 1.929,979 1.956,980 0.993,981 1.945,982 1.474,983 1.49,984 1.396,985 1.702,986 0.601,987 1.706,988 1.195,989 1.199,990 1.231,991 1.418,992 0.348,993 1.392,994 1.031,995 0.995,996 1.185,997 1.188,998 0.277,999 1.19,1000 0.902,1001 0.856,1002 1.181,1003 1.124,1004 0.218,1005 1.139,1006 0.886,1007 0.821,1008 1.095,1009 1.062,1010 0.159,1011 1.107,1012 4.078,1013 5.425,1014 2.398,1015 6.973,1016 4.844,1017 8.604,1018 7.05,1019 10.277,1024 4.337,1029 28.25,1030 68.864,1031 118.838,1032 148.248,1033 189.267,1034 202.877,1035 202.877,1036 49.914,1037 7.529,1038 88.41,1039 96.79,1040 23,1041 12.611,1042 4.644,1043 3.858,1044 38.202,1045 101,1046 92,1047 0.185,1048 174.882,1049 293.49,1050 418.472,1051 19603,1053 18.148,1054 0.698,1055 0.549,1056 18.398,1057 14.286,1058 12.544,1059 0.433,1060 0.321,1061 7.859,1062 11.356,1063 7.602,1064 6.292,1065 13.365,1066 9.313,1067 11.781,1068 0.28,1069 0.175,1070 13.104,1071 7.364,1072 9.971,1073 0.178,1074 0.094,1075 11.062,1076 5.255,1077 8.041,1078 0.112,1079 0.05,1080 8.936,1081 3.572,1082 6.767,1083 0.074,1084 0.027,1085 7.599,1086 2.444,1087 0.292,1088 86.748,1089 0.227,1090 25.185,1091 0.501,1092 142,1093 466.468,1094 193.274,1095 469.572,1096 637.14,1097 432,1098 169,1099 446.345,1100 227.117,1101 485.562,1102 710.13,1103 456,1104 5.629}
{0 CHEMBL205903,1 2.187,2 10.519,3 3.961,4 15.687,5 92.997,6 10.995,7 0.552,8 3.802,9 3.876,10 3.801,11 3.396,12 5.085,13 3.404,14 4.334,15 4.42,16 4.208,17 3.766,18 6.263,19 3.783,20 4.523,21 4.649,22 4.207,23 3.871,24 6.033,25 3.846,26 4.608,27 4.746,28 4.31,29 3.741,30 6.152,31 3.785,32 4.578,33 4.727,34 4.204,35 3.482,36 6.73,37 3.593,38 4.25,39 4.424,40 3.744,41 3.339,42 5.858,43 3.353,44 4.134,45 4.276,46 3.756,47 3.302,48 5.735,49 3.346,50 4.021,51 4.128,52 3.761,53 3.316,54 5.954,55 3.331,56 0.314,57 0.799,58 3.856,59 3.616,60 59.47,61 2.625,62 1.061,63 1.573,64 6.671,65 5.97,66 176.341,67 4.727,68 0.949,69 1.345,70 15.224,71 8.146,72 131.633,73 7.157,74 1.203,75 1.557,76 21.447,77 9.093,78 222.028,79 6.111,80 1.921,81 1.329,82 20.106,83 7.063,84 345.751,85 5.12,86 1.022,87 0.928,88 16.776,89 5.665,90 141.837,91 4.343,92 0.878,93 0.807,94 10.948,95 4.891,96 147.282,97 3.528,98 0.811,99 0.801,100 11.309,101 4.922,102 151.073,103 3.89,104 51,105 44,106 0.386,107 0.649,108 0.773,109 0.885,110 0.894,111 0.894,112 3.34,113 0.952,114 -4.44,115 -4.37,116 -4.12,118 42.1,121 1,122 8,123 2,124 2,127 2,129 1,130 7,131 1,133 3,134 3,135 9,137 5,138 4,139 1,140 5,141 7,143 5,145 1,146 6,147 2,148 2,149 4,151 7,154 5,155 2,156 4,159 5,161 4,162 2,163 5,165 3,166 4,168 2,169 1,170 7,171 1036,172 17.082,173 17.082,174 17.082,175 17.082,176 17.082,177 14.852,178 12.103,179 9.661,180 17.667,181 14.293,182 14.293,183 14.293,184 14.293,185 14.293,186 10.732,187 9.252,188 4.582,189 15.366,190 3.061,191 1.566,192 0.862,193 0.23,194 0.178,195 0.178,196 4.009,197 1,199 1,200 598,201 4.472,202 61.794,203 180.127,204 120.082,206 1.61,207 65.027,209 0.4,210 0.77,211 63.333,212 284,213 4.915,214 4.75,215 7.541,216 4.438,217 3.534,218 4.752,219 3.825,220 13.396,221 3.188,222 4.517,223 4.393,224 6.98,225 4.046,226 3.144,227 4.453,228 0.98,229 11.22,230 2.986,231 4.349,232 3.56,233 6.353,234 3.996,235 3.055,236 3.704,237 9.808,238 2.727,239 3.919,240 3.052,241 5.818,242 3.529,243 2.549,244 3.346,245 7.877,246 2.489,247 3.491,248 2.64,249 5.228,250 3.003,251 2.103,252 2.829,253 6.063,254 1.878,255 3.439,256 2.218,257 4.956,258 2.957,259 2.019,260 2.715,261 5.785,262 1.77,263 3.03,264 1.67,265 4.402,266 2.521,267 1.532,268 2.291,269 4.292,270 1.512,271 2.73,272 1.506,273 4.213,274 2.293,275 1.323,276 1.807,277 3.514,278 1.27,279 2.67,280 1.431,281 4.023,282 2.166,283 1.197,284 1.675,285 2.928,286 1.145,287 2.576,288 1.332,289 3.619,290 2.093,291 1.112,292 1.604,293 2.804,294 1.079,295 1.945,296 0.934,297 3.217,298 1.432,299 0.476,300 0.688,301 1.188,302 0.433,303 1.746,304 0.642,305 3.158,306 1.408,307 0.381,308 0.482,309 0.894,310 0.391,311 1,312 0.51,313 2.796,314 0.431,315 -0.422,316 -0.543,318 -1.069,319 -0.28,320 0.949,321 0.51,322 2.528,323 0.424,324 -0.517,325 -0.668,327 -1.36,328 -0.477,329 0.876,330 0.289,331 2.405,332 0.108,333 -0.856,334 -1,335 -2.167,336 -0.7,337 12.605,338 0.467,339 1.096,340 0.041,341 35.5,342 1.315,343 18.5,344 0.685,345 17,346 0.63,347 20.515,348 0.76,349 29.995,350 0.789,351 31.272,352 1.158,353 7.183,354 0.266,355 5.393,356 0.2,357 0.204,358 0.106,359 0.278,360 3,362 0.568,363 0.884,364 0.65,365 1.029,366 0.649,367 0.752,368 0.449,369 0.778,370 0.694,371 0.921,372 0.448,373 0.926,374 0.718,375 0.902,376 1.054,377 1.119,378 0.715,379 1.137,380 1.217,381 1.239,382 1.074,383 1.319,384 1.276,385 1.105,386 1.132,387 1.043,388 0.954,389 0.824,390 1.083,391 0.875,392 1.21,393 0.728,394 1.204,395 0.845,396 1.242,397 0.919,398 1.21,399 0.823,400 0.856,401 0.783,402 1.286,403 0.836,404 0.748,405 0.917,406 1.045,407 1.101,408 0.709,409 0.969,410 8.5,411 0.191,412 4.444,413 2.854,414 2.236,415 1.063,416 0.524,417 0.51,418 0.303,419 0.265,420 8428,421 39078,422 1.954,423 28.9,425 8,427 3,429 1.7,430 1.761,431 3.341,432 1.091,434 1,436 83.103,437 2.187,438 3.682,439 4.386,440 5.018,441 5.07,442 5.07,443 2.742,444 4.255,445 4.732,446 3.542,447 1243.12,448 8.204,449 15990.5,452 1,453 199.421,454 1.816,455 4.629,456 0.293,457 0.009,458 0.101,459 0.066,460 0.055,461 0.028,462 0.02,463 0.02,464 0.011,465 0.011,466 0.614,467 0.17,468 0.857,469 133.816,470 -0.01,471 0.032,472 0.083,473 -0.009,474 -0.117,475 0.084,476 0.365,477 0.248,478 0.008,479 0.009,480 0.358,481 -0.108,482 -0.012,483 -0.128,484 -0.106,485 -0.128,486 -0.012,487 -0.155,488 -0.254,489 -0.319,490 -0.036,491 -0.253,492 -0.267,493 -0.127,494 0.182,495 0.068,496 -0.007,497 0.091,498 0.294,499 0.022,500 -0.198,501 0.205,502 -0.2,503 0.138,504 -0.209,505 0.066,506 -0.252,507 -0.018,508 0.016,509 0.111,510 -0.26,511 0.124,512 0.174,513 -0.006,514 -0.072,515 -0.047,516 0.267,517 -0.012,518 6.119,519 5.199,520 0.556,521 21.745,522 1.067,523 1.145,524 3.209,525 10.295,526 0.718,527 3.401,528 3.807,529 4.007,530 4.248,531 4.454,532 4.369,533 4.382,534 4.443,535 4.431,536 4.344,537 6.418,538 0.725,539 417.82,540 3.401,541 4.99,542 5.838,543 6.751,544 7.624,545 8.532,546 9.415,547 10.32,548 11.208,549 12.11,550 7.9,551 1,552 1,553 1,556 2,557 8,559 1,561 4,562 16,565 1,566 38,567 19,568 2,569 29,571 40,572 16,573 14,574 5,575 7,576 1,577 3,578 4,579 1,580 1,581 1,583 15,584 1,585 3,586 1,587 3,588 1,590 1,591 3,593 11,594 8,595 3,596 11,597 2,599 3,600 0.667,601 3,603 1,604 1,605 2,606 1,608 2,609 1,612 1,613 3,614 27,615 1,616 2,618 1,622 4,623 7.9,624 3,626 15.333,627 6.655,628 5.625,629 1.935,630 3.047,631 1.426,632 1.02,633 5.124,634 10.193,635 3.714,636 4.404,637 4.943,638 5.523,639 6.047,640 6.243,641 6.521,642 6.781,643 6.756,644 6.686,645 0.857,646 43,647 11.302,649 6.271,650 8.702,651 17.603,653 14.627,655 3.202,656 86.444,659 94.169,660 109.792,661 50.956,662 39.149,663 69.458,664 44.88,665 5.807,666 103.985,667 202.775,668 95.837,670 17.888,671 97.9,672 74.163,673 72.476,674 4.901,675 94.169,676 46.908,677 94.169,678 154.941,679 114.338,680 44.956,682 94.169,683 114.338,684 58.716,685 96.225,686 44.956,688 139.049,689 120.414,690 148.941,691 5.807,692 101.928,693 20.415,694 75.81,695 50.956,696 153.487,697 94.169,698 165.294,699 148.941,700 0.61,701 0.339,702 0.173,703 0.102,704 22,705 11,706 0.1,707 4,708 1,709 1.133,710 3.703,711 229.658,712 0.133,713 15,714 121.627,715 1,716 19.551,717 7.076,718 4.212,719 1.188,720 148.509,721 9.878,723 2.749,725 -1.898,726 50.956,727 408.404,728 40,729 -4.651,730 36.532,731 -0.879,732 40.527,733 43.497,734 0.417,735 0.702,736 0.836,737 0.956,738 0.966,739 0.966,740 4.99,741 1.323,742 5.927,743 4.292,744 4.489,745 5.091,746 3.125,747 6.843,748 4.353,749 6.284,750 1.197,751 7.572,752 3.514,753 4.511,754 5.316,755 3.903,756 8.242,757 4.195,758 7.671,759 1.112,760 9.335,761 2.928,762 6.279,763 7.479,764 5.428,765 11.253,766 5.985,767 9.097,768 0.476,769 11.167,770 2.804,771 7.04,772 8.46,773 6.69,774 13.402,775 6.571,776 10.555,777 0.381,778 13.044,779 1.188,780 8.417,781 10.209,782 8.058,783 16.077,784 7.934,785 12.035,786 -0.422,787 14.95,788 0.894,789 9.458,790 11.504,791 9.388,792 18.485,793 8.826,794 13.533,795 -0.517,796 16.877,797 -1.069,798 10.719,799 13.112,800 10.734,801 21.077,802 10.036,803 3.534,804 -0.856,805 18.819,806 -1.36,807 11.869,808 14.542,809 12.074,810 23.582,811 11.059,812 3.144,813 13.396,814 20.773,815 -2.167,816 13.099,817 16.101,818 13.416,819 26.156,820 12.212,821 3.055,822 11.22,823 22.737,824 4.752,825 14.295,826 17.59,827 14.758,828 28.703,829 13.294,830 2.549,831 9.808,832 24.708,833 4.453,834 15.52,835 19.133,836 16.1,837 31.278,838 14.429,839 2.103,840 7.877,841 26.685,842 3.704,843 16.737,844 20.649,845 17.441,846 33.845,847 15.537,848 2.019,849 6.063,850 28.668,851 3.346,852 17.966,853 22.188,854 18.783,855 36.423,856 16.669,857 1.532,858 5.785,859 30.654,860 2.829,861 19.194,862 23.717,863 20.124,864 39,865 17.791,866 8291,867 18031,868 18.087,869 27.267,870 45.551,871 46.211,872 46.187,873 45.338,874 44.85,875 60.691,876 9.61,877 139.537,878 41.736,879 5.827,880 6.75,881 7.217,882 5.502,883 5.534,884 7.752,885 5.335,886 21.625,887 5.188,888 17.298,889 1.571,890 1.593,891 1.593,892 1.563,893 1.547,894 2.093,895 0.331,896 4.812,897 1.439,898 4.138,899 4.162,900 4.736,901 4.076,902 8.513,903 4.052,904 4.065,905 4.052,906 4.136,907 4.025,908 7.999,909 3.975,910 3.68,911 3.69,912 3.773,913 3.562,914 7.999,915 3.501,916 3.503,917 3.508,918 3.704,919 3.384,920 7.717,921 3.379,922 3.315,923 3.362,924 3.318,925 3.011,926 7.429,927 3.065,928 3.127,929 3.164,930 3.271,931 2.867,932 6.999,933 2.905,934 2.946,935 3.007,936 2.881,937 2.831,938 5.027,939 2.82,940 2.745,941 2.812,942 2.642,943 2.583,944 4.664,945 2.575,946 0.169,947 0.164,948 0.26,949 0.153,950 0.122,951 4.915,952 0.164,953 4.75,954 0.132,955 7.541,956 0.462,957 4.438,958 0.11,959 3.534,960 4.752,961 3.825,962 13.396,963 3.188,964 1.965,965 1.974,966 1.989,967 2.043,968 1.188,969 2.068,970 1.922,971 1.903,972 1.986,973 1.996,974 1.133,975 2.001,976 1.605,977 1.575,978 1.682,979 1.833,980 0.734,981 1.802,982 1.433,983 1.457,984 1.299,985 1.617,986 0.584,987 1.637,988 1.096,989 1.06,990 1.206,991 1.44,992 0.266,993 1.343,994 1.006,995 0.971,996 1.157,997 1.247,998 0.25,999 1.224,1000 0.943,1001 0.897,1002 1.089,1003 1.151,1004 0.136,1005 1.171,1006 0.734,1007 0.671,1008 0.983,1009 0.956,1010 0.035,1011 0.983,1012 4.078,1013 5.46,1014 2.398,1015 7.017,1016 4.727,1017 8.652,1018 6.843,1019 10.332,1022 5.85,1023 38.994,1024 3.552,1026 -4.869,1029 27.534,1030 83.103,1031 139.911,1032 166.666,1033 190.666,1034 192.666,1035 192.666,1036 82.804,1037 7.145,1038 91.06,1039 99.44,1040 17,1041 12.633,1042 4.322,1043 3.585,1044 47.097,1045 106,1046 100,1047 0.22,1048 174.079,1049 305.76,1050 416.512,1051 11988,1052 10.5,1053 19.82,1054 0.734,1055 0.549,1056 18.07,1057 14.836,1058 12.576,1059 0.434,1060 0.317,1061 7.338,1062 10.855,1063 7.117,1064 5.826,1065 12.475,1066 9.205,1067 13.038,1068 0.296,1069 0.172,1070 12.756,1071 7.555,1072 9.544,1073 0.177,1074 0.095,1075 10.15,1076 5.149,1077 7.623,1078 0.11,1079 0.053,1080 8.297,1081 3.645,1082 6.457,1083 0.076,1084 0.028,1085 6.478,1086 2.415,1087 0.346,1088 91.961,1089 0.235,1090 25.842,1091 0.602,1092 146,1093 705.602,1094 227.657,1095 646.839,1096 822.38,1097 588,1098 171,1099 522.189,1100 248.786,1101 553.287,1102 825.95,1103 516,1104 6.097}
{0 CHEMBL207357,1 1.95,2 10.13,3 3.029,4 9.172,5 84.778,6 10.318,7 0.64,8 3.679,9 3.739,10 3.672,11 3.321,12 4.894,13 3.3,14 4.162,15 4.234,16 3.982,17 3.67,18 5.697,19 3.653,20 4.387,21 4.507,22 3.985,23 3.723,24 5.837,25 3.667,26 4.347,27 4.484,28 3.856,29 3.536,30 5.754,31 3.509,32 4.156,33 4.295,34 3.755,35 3.292,36 5.839,37 3.311,38 3.994,39 4.134,40 3.557,41 3.196,42 5.537,43 3.194,44 3.926,45 4.058,46 3.571,47 3.172,48 5.452,49 3.175,50 3.79,51 3.902,52 3.406,53 3.174,54 5.193,55 3.123,56 0.17,57 0.499,58 4.916,59 3.195,60 21.819,61 2.611,62 0.431,63 0.751,64 7.206,65 4.963,66 50.069,67 4.507,68 0.705,69 0.89,70 18.486,71 7.434,72 65.814,73 6.774,74 0.709,75 0.846,76 17.871,77 6.842,78 93.575,79 5.257,80 0.709,81 0.696,82 15.279,83 5.242,84 107.32,85 4.192,86 0.558,87 0.611,88 10.793,89 4.421,90 60.768,91 3.657,92 0.479,93 0.538,94 9.784,95 4.055,96 63.762,97 3.261,98 0.348,99 0.467,100 11.318,101 4.298,102 35.032,103 3.595,104 17,105 36,106 0.351,107 0.593,108 0.718,109 0.848,110 0.863,111 0.863,112 3.188,113 1.006,114 -3.57,115 -3.55,116 -3.38,118 44.1,122 9,123 1,124 2,127 2,129 1,130 7,131 1,132 3,133 3,135 9,136 1,137 7,138 4,140 3,141 7,143 5,144 1,146 6,147 2,148 2,149 5,151 6,153 2,154 5,156 4,159 7,161 2,162 2,163 7,165 1,166 4,168 3,170 7,171 689,172 15.11,173 15.11,174 15.11,175 15.11,176 15.11,177 12.842,178 8.918,179 8.794,180 15.403,181 12.328,182 12.328,183 12.328,184 12.328,185 12.328,186 8.793,187 6.289,188 4.189,189 12.836,190 3.137,191 1.796,192 1.097,193 0.375,194 0.294,195 0.294,196 3.863,197 1,198 1,199 1,200 500,201 3.674,202 51.458,203 149.652,204 99.867,206 1.452,207 37.271,208 1,209 0.4,210 0.77,211 51.333,212 233,213 4.844,214 4.681,215 7.293,216 4.295,217 3.374,218 4.694,219 0.98,220 12.405,221 3.09,222 4.516,223 3.56,224 6.353,225 4.055,226 3.058,227 4.453,229 9.808,230 3.033,231 3.921,232 3.052,233 5.818,234 3.539,235 2.55,236 3.348,237 7.876,238 2.515,239 3.557,240 2.64,241 4.962,242 3.046,243 2.105,244 3.053,245 5.798,246 2.035,247 3.484,248 2.043,249 4.921,250 2.979,251 2.022,252 2.827,253 5.377,254 1.786,255 3.03,256 1.67,257 4.401,258 2.532,259 1.532,260 2.291,261 4.291,262 1.532,263 2.725,264 1.506,265 4.111,266 2.303,267 1.321,268 1.8,269 3.469,270 1.283,271 2.665,272 1.43,273 3.64,274 2.15,275 1.153,276 1.668,277 2.743,278 1.141,279 2.5,280 1,281 3.247,282 2,283 1,284 1.5,285 2.136,286 1,287 1.945,288 0.929,289 3.161,290 1.453,291 0.476,292 0.688,293 1.188,294 0.446,295 1.745,296 0.642,297 3.143,298 1.413,299 0.376,300 0.477,301 0.881,302 0.388,303 1,304 0.131,305 2.57,306 0.433,307 -0.422,308 -0.544,309 -1.069,310 -0.282,311 0.949,312 0.065,313 2.407,314 0.231,315 -0.727,316 -1.001,318 -1.633,319 -0.677,320 0.736,321 -0.37,322 2.319,323 0.122,324 -0.856,325 -1.188,327 -2.347,328 -0.821,329 0.62,330 -0.806,331 2,332 0.028,333 -1,334 -1.337,335 -2.481,336 -1,337 11.181,338 0.486,339 0.718,340 0.031,341 32.75,342 1.424,343 18.5,344 0.804,345 14.25,346 0.62,347 14.868,348 0.646,349 24.219,350 0.712,351 24.031,352 1.045,353 6.521,354 0.284,355 4.433,356 0.193,357 0.153,358 0.075,359 0.268,362 0.578,363 1.017,364 0.665,365 1.066,366 0.649,367 0.76,368 0.656,369 1.122,370 0.752,371 1.003,372 0.582,373 0.942,374 0.933,375 1.089,376 1.164,377 1.137,378 0.903,379 1.088,380 1.488,381 1.171,382 1.124,383 1.063,384 1.543,385 1.036,386 1.207,387 1.135,388 0.953,389 0.981,390 1.198,391 0.899,392 1.172,393 1.053,394 0.823,395 0.841,396 1.289,397 0.831,398 1.289,399 0.867,400 0.778,401 0.817,402 1.474,403 0.815,404 1.209,405 0.868,406 1.215,407 1.152,408 1.042,409 0.979,410 6,411 0.052,412 3.333,413 1.792,414 1.267,415 0.764,416 0.442,417 0.323,418 0.204,419 0.17,420 5828,421 22170,422 2.031,423 32.4,425 9,427 2,429 1.654,430 1.878,431 3.32,432 0.407,434 1,435 1,436 66.317,437 1.95,438 3.292,439 3.991,440 4.712,441 4.793,442 4.793,443 2.736,444 4.056,445 4.499,446 3.451,447 873.158,448 7.726,449 10036.5,450 1,451 1,452 1,453 172.974,454 1.631,455 4.433,456 0.24,457 0.004,458 0.093,459 0.053,460 0.045,461 0.031,462 0.02,463 0.015,464 0.011,465 0.01,466 0.521,467 0.33,468 0.636,469 108.328,470 0.044,471 0.104,472 0.121,473 -0.058,474 -0.145,475 0.056,476 0.162,477 -0.072,478 -0.026,479 -0.101,480 0.171,481 -0.132,482 0.056,483 -0.091,484 -0.152,485 -0.106,486 0.022,487 -0.131,488 -0.317,489 -0.167,490 -0.139,491 -0.058,492 -0.289,493 -0.086,494 0.016,495 -0.109,496 0.022,497 -0.042,498 0.152,499 0.026,500 -0.027,501 -0.004,502 0.022,503 0.103,504 -0.036,505 0.09,506 -0.141,507 0.122,508 0.098,509 0.094,510 -0.155,511 0.107,512 -0.191,513 0.094,514 -0.158,515 -0.044,516 -0.07,517 0.011,518 4.762,519 5.012,520 0.652,521 17.524,522 1.039,523 1.111,524 2.343,525 5.489,526 0.739,527 3.258,528 3.611,529 3.829,530 4.025,531 4.22,532 4.205,533 4.22,534 4.263,535 4.19,536 4.143,537 5.956,538 0.722,539 350.8,540 3.258,541 4.812,542 5.652,543 6.535,544 7.397,545 8.28,546 9.149,547 10.033,548 10.906,549 11.789,550 5.9,551 1,552 1,556 2,557 9,560 1,561 3,562 16,565 1,566 34,567 19,568 2,569 25,571 36,572 15,573 14,574 4,575 8,576 1,577 3,578 4,579 1,583 15,585 3,586 1,587 3,588 1,589 1,590 1,592 1,593 11,594 6,595 2,596 8,597 2,599 2,600 0.667,601 4,604 1,605 2,606 1,608 2,609 1,612 1,614 23,615 1,616 2,622 1,623 11.8,624 3,625 1,626 12.25,627 5.976,628 4.931,629 1.772,630 2.884,631 1.424,632 1.015,633 4.303,634 9.68,635 3.611,636 4.287,637 4.829,638 5.385,639 5.909,640 6.138,641 6.426,642 6.687,643 6.576,644 6.594,645 0.857,646 34,647 8.738,649 4.081,650 8.219,651 15.483,653 12.734,655 2.719,656 62.528,659 105.94,660 113.708,661 34.171,662 39.149,663 78.965,665 5.807,666 107.9,667 224.054,668 34.171,670 17.888,671 107.376,672 74.163,673 17.132,674 10.285,675 105.94,676 39.149,677 105.94,678 142.071,679 78.965,680 44.956,682 105.94,683 78.965,684 34.171,685 107.9,686 44.956,688 105.94,689 113.136,690 152.856,691 5.807,692 105.94,693 22.614,694 85.286,695 34.171,696 118.114,697 105.94,698 113.136,699 152.856,700 0.594,701 0.338,702 0.167,703 0.094,704 18,705 8,706 0.111,707 4,708 1,709 1.133,710 3.525,711 179.397,712 0.133,713 15,714 98.042,715 1,716 15.867,717 6.238,718 3.499,719 1.124,720 113.136,721 14.069,724 5.35,725 0.518,726 34.171,727 371.932,728 36,729 -3.845,730 36.034,731 -0.711,732 35.331,733 37.774,734 0.383,735 0.647,736 0.784,737 0.926,738 0.942,739 0.942,740 4.844,741 1.153,742 5.687,743 3.469,744 4.29,745 4.973,746 1.072,747 6.538,748 4.216,749 6.111,750 1,751 7.286,752 2.743,753 4.111,754 5.112,756 7.774,757 3.926,758 7.477,759 0.476,760 9,761 2.136,762 5.984,763 7.358,764 1.045,765 10.776,766 5.818,767 8.887,768 0.376,769 10.786,770 1.188,771 6.608,772 8.304,774 12.837,775 6.328,776 10.333,777 -0.422,778 12.62,779 0.881,780 8.025,781 10.089,782 1.019,783 15.459,784 7.742,785 11.804,786 -0.727,787 14.487,788 -1.069,789 8.981,790 11.37,792 17.806,793 8.593,794 13.294,795 -0.856,796 16.378,797 -1.633,798 10.243,799 12.994,800 0.993,801 20.333,802 9.826,803 3.374,804 -1,805 18.288,806 -2.347,807 11.338,808 14.417,810 22.782,811 10.826,812 3.058,813 12.405,814 20.211,815 -2.481,816 12.549,817 15.981,818 0.967,819 25.289,820 11.987,821 2.55,822 9.808,823 22.146,824 4.694,825 13.702,826 17.465,828 27.775,829 13.053,830 2.105,831 7.876,832 24.089,833 4.453,834 14.898,835 19.007,836 0.942,837 30.282,838 14.186,839 2.022,840 5.798,841 26.04,842 3.348,843 16.076,844 20.517,846 32.783,847 15.28,848 1.532,849 5.377,850 27.996,851 3.053,852 17.271,853 22.051,854 0.917,855 35.293,856 16.403,857 1.321,858 4.291,859 29.957,860 2.827,861 18.461,862 23.573,864 37.802,865 17.51,866 5652,867 11182,868 16.296,869 25.142,870 38.184,871 39.875,872 38.74,873 38.233,874 37.937,875 53.596,876 1.96,877 111.946,878 36.497,879 5.748,880 6.681,881 7.095,882 5.335,883 5.374,884 7.694,885 1.96,886 19.573,887 5.09,888 11.668,889 1.527,890 1.595,891 1.55,892 1.529,893 1.517,894 2.144,895 0.078,896 4.478,897 1.46,898 4.115,899 4.112,900 4.734,901 4.057,902 7.717,903 4.025,904 4.044,905 4.025,906 4.125,907 3.997,908 7.429,909 3.95,910 3.65,911 3.67,912 3.699,913 3.544,914 6.999,915 3.485,916 3.487,917 3.477,918 3.669,919 3.359,920 5.138,921 3.36,922 3.108,923 3.136,924 3.27,925 2.862,926 4.75,927 2.897,928 2.921,929 2.96,930 2.881,931 2.804,932 4.717,933 2.795,934 2.854,935 2.925,936 2.687,937 2.735,938 4.165,939 2.715,940 2.647,941 2.707,942 2.59,943 2.492,944 3.93,945 2.479,946 0.194,947 0.187,948 0.292,949 0.172,950 0.135,951 4.844,952 0.188,953 4.681,954 0.039,955 7.293,956 0.496,957 4.295,958 0.124,959 3.374,960 4.694,961 0.98,962 12.405,963 3.09,964 1.951,965 1.958,966 1.995,967 2.023,968 1.152,969 2.062,970 1.909,971 1.896,972 1.975,973 1.976,974 1.117,975 1.981,976 1.553,977 1.547,978 1.602,979 1.8,980 0.642,981 1.767,982 1.407,983 1.436,984 1.292,985 1.578,986 0.557,987 1.589,988 0.981,989 0.951,990 1.181,991 1.219,992 0.218,993 1.211,994 0.886,995 0.867,996 1.106,997 1.075,998 0.159,999 1.107,1000 0.884,1001 0.821,1002 0.987,1003 1.062,1004 0.096,1005 1.058,1006 0.674,1007 0.603,1008 0.952,1009 0.909,1011 0.939,1012 3.932,1013 5.273,1014 2.398,1015 6.799,1016 4.727,1017 8.403,1018 6.843,1019 10.046,1022 5.862,1024 4.126,1029 24.551,1030 66.317,1031 111.915,1032 135.69,1033 160.219,1034 162.974,1035 162.974,1036 49.573,1037 6.796,1038 88.41,1039 96.79,1040 17,1041 12.325,1042 4.322,1043 3.585,1044 37.01,1045 83,1046 72,1047 0.22,1048 158.094,1049 268.04,1050 377.508,1051 7558,1052 2.9,1053 16.449,1054 0.715,1055 0.573,1056 17.199,1057 13.188,1058 10.954,1059 0.438,1060 0.335,1061 6.578,1062 9.459,1063 6.318,1064 5.219,1065 12.064,1066 8.38,1067 10.509,1068 0.292,1069 0.188,1070 12.241,1071 6.784,1072 8.372,1073 0.186,1074 0.101,1075 9.726,1076 4.553,1077 6.423,1078 0.117,1079 0.055,1080 7.552,1081 3.001,1082 5.252,1083 0.078,1084 0.029,1085 6.335,1086 1.973,1087 0.346,1088 80.387,1089 0.248,1090 22.717,1091 0.595,1092 122,1093 450.672,1094 188.793,1095 479.488,1096 629.11,1097 438,1098 142,1099 408.208,1100 210.042,1101 454.445,1102 660.33,1103 425,1104 5.377}
{0 CHEMBL207583,1 1.954,2 10.13,3 3.102,4 9.625,5 89.841,6 11.265,7 0.64,8 3.695,9 3.777,10 3.756,11 3.359,12 4.87,13 3.318,14 4.177,15 4.27,16 4.103,17 3.73,18 5.665,19 3.681,20 4.416,21 4.56,22 4.117,23 3.805,24 5.789,25 3.71,26 4.408,27 4.576,28 4.007,29 3.623,30 5.761,31 3.556,32 4.215,33 4.386,34 3.918,35 3.385,36 5.822,37 3.354,38 4.035,39 4.196,40 3.662,41 3.284,42 5.484,43 3.235,44 3.981,45 4.126,46 3.801,47 3.237,48 5.446,49 3.217,50 3.813,51 3.952,52 3.543,53 3.244,54 5.155,55 3.159,56 0.147,57 0.542,58 3.463,59 3.215,60 17.714,61 2.781,62 0.37,63 0.82,64 4.966,65 5.136,66 46.486,67 5.022,68 0.517,69 0.998,70 23.114,71 8.122,72 47.285,73 7.68,74 0.592,75 0.96,76 21.117,77 7.691,78 83.186,79 6.211,80 0.608,81 0.78,82 19.815,83 5.926,84 98.294,85 5.156,86 0.424,87 0.667,88 16.794,89 5.272,90 46.346,91 4.409,92 0.43,93 0.589,94 11.37,95 4.505,96 60.313,97 3.425,98 0.244,99 0.529,100 14.302,101 4.51,102 24.282,103 4.021,104 17,105 36,106 0.35,107 0.592,108 0.728,109 0.853,110 0.867,111 0.867,112 3.188,113 1.066,114 -3.7,115 -3.66,116 -3.49,117 1,118 42.9,122 9,123 1,124 2,127 2,129 1,130 7,131 1,133 3,134 3,135 9,137 5,138 4,139 1,140 5,141 7,143 5,145 1,146 6,147 2,148 2,149 4,151 7,154 5,155 2,156 4,159 5,161 4,162 2,163 5,165 3,166 4,168 2,169 1,170 7,171 689,172 15.11,173 15.11,174 15.11,175 15.11,176 15.11,177 12.842,178 8.96,179 8.794,180 15.483,181 12.328,182 12.328,183 12.328,184 12.328,185 12.328,186 8.793,187 6.324,188 4.189,189 12.989,190 3.175,191 1.823,192 1.065,193 0.364,194 0.286,195 0.286,196 3.863,199 1,200 500,201 3.674,202 51.458,203 149.652,204 99.867,206 1.452,207 32.435,209 0.4,210 0.77,211 50.25,212 233,213 4.844,214 4.681,215 7.293,216 4.294,217 3.374,218 4.694,219 0.98,220 12.405,221 3.079,222 4.516,223 3.56,224 6.353,225 4.034,226 3.058,227 4.453,229 9.808,230 2.977,231 3.921,232 3.034,233 5.818,234 3.53,235 2.55,236 3.348,237 7.876,238 2.493,239 3.557,240 2.616,241 4.962,242 3.042,243 2.105,244 3.053,245 5.798,246 2.033,247 3.484,248 2.043,249 4.921,250 2.96,251 2.022,252 2.827,253 5.377,254 1.708,255 3.03,256 1.668,257 4.401,258 2.521,259 1.532,260 2.291,261 4.291,262 1.512,263 2.725,264 1.506,265 4.111,266 2.29,267 1.321,268 1.8,269 3.469,270 1.264,271 2.665,272 1.43,273 3.64,274 2.141,275 1.153,276 1.668,277 2.743,278 1.127,279 2.5,280 1,281 3.247,282 2,283 1,284 1.5,285 2.136,286 1,287 1.945,288 0.929,289 3.161,290 1.427,291 0.476,292 0.688,293 1.188,294 0.422,295 1.745,296 0.629,297 3.143,298 1.405,299 0.376,300 0.477,301 0.881,302 0.387,303 1,304 0.131,305 2.57,306 0.408,307 -0.422,308 -0.544,309 -1.069,310 -0.235,311 0.949,312 0.049,313 2.407,314 0.231,315 -0.727,316 -1.001,318 -1.633,319 -0.677,320 0.736,321 -0.371,322 2.319,323 0.103,324 -0.856,325 -1.188,327 -2.347,328 -0.801,329 0.62,330 -0.807,331 2,332 0.027,333 -1,334 -1.337,335 -2.481,336 -1,337 11.867,338 0.516,339 0.718,340 0.031,341 32.5,342 1.413,343 18.5,344 0.804,345 14,346 0.609,347 16.382,348 0.712,349 23.533,350 0.672,351 22.517,352 0.979,353 6.217,354 0.27,355 4.738,356 0.206,357 0.197,358 0.07,359 0.253,362 0.543,363 1.012,364 0.528,365 0.908,366 0.64,367 0.721,368 0.539,369 1.163,370 0.622,371 0.895,372 0.555,373 0.927,374 0.841,375 1.115,376 1.024,377 1.133,378 0.864,379 1.124,380 1.54,381 1.092,382 0.844,383 0.975,384 1.553,385 1.006,386 1.262,387 1.096,388 0.885,389 0.907,390 1.132,391 0.861,392 1.386,393 1.048,394 0.853,395 0.949,396 1.351,397 0.885,398 1.632,399 0.918,400 0.704,401 0.802,402 1.787,403 0.82,404 1.06,405 1.001,406 0.975,407 1.155,408 0.983,409 1.03,410 6,411 0.052,412 3.333,413 1.792,414 1.267,415 0.764,416 0.442,417 0.323,418 0.204,419 0.17,420 5828,421 21382,422 2.031,423 34.3,425 9,427 3,429 1.654,430 1.878,431 3.32,432 1.118,434 1,436 68.392,437 1.954,438 3.306,439 4.064,440 4.765,441 4.844,442 4.844,443 2.736,444 4.056,445 4.499,446 3.451,447 873.158,448 7.726,449 10036.5,452 1,453 179.525,454 1.631,455 4.433,456 0.24,457 0.004,458 0.093,459 0.053,460 0.045,461 0.031,462 0.02,463 0.015,464 0.011,465 0.01,466 0.521,467 0.33,468 0.636,469 108.328,470 0.058,471 0.131,472 0.028,473 -0.013,474 -0.149,475 0.078,476 0.248,477 -0.101,478 -0.013,479 -0.064,480 0.194,481 -0.122,482 0.079,483 -0.101,484 -0.11,485 -0.145,486 0.032,487 -0.178,488 -0.312,489 -0.086,490 -0.057,491 -0.026,492 -0.262,493 -0.064,494 0.03,495 -0.088,496 0.004,497 0.025,498 0.202,499 0.081,500 -0.158,501 -0.005,502 -0.07,503 0.017,504 -0.077,505 0.044,506 -0.27,507 0.044,508 0.064,509 0.08,510 -0.277,511 0.076,512 -0.143,513 -0.005,514 -0.093,515 -0.121,516 -0.038,517 -0.058,518 4.72,519 5.096,520 0.652,521 17.524,522 1.029,523 1.113,524 2.465,525 6.078,526 0.748,527 3.258,528 3.611,529 3.829,530 4.025,531 4.22,532 4.205,533 4.22,534 4.263,535 4.19,536 4.143,537 5.956,538 0.716,539 394.27,540 3.258,541 4.812,542 5.652,543 6.535,544 7.397,545 8.28,546 9.149,547 10.033,548 10.906,549 11.789,550 8.6,551 1,552 1,553 1,556 2,557 9,559 1,561 3,562 16,565 1,566 35,567 19,568 2,569 25,570 1,571 37,572 15,573 14,574 4,575 8,576 1,577 3,578 4,583 15,585 3,586 1,587 3,588 1,590 1,593 12,594 5,595 3,596 8,597 2,599 3,600 0.667,601 3,603 1,604 1,605 2,606 1,608 2,609 1,610 1,614 23,615 1,616 2,622 1,623 8.6,624 3,626 12.25,627 6.06,628 4.931,629 1.813,630 2.884,631 1.424,632 1.034,633 4.436,634 9.68,635 3.611,636 4.287,637 4.829,638 5.385,639 5.909,640 6.138,641 6.426,642 6.687,643 6.576,644 6.594,645 0.857,646 34,647 8.734,649 4.044,650 8.116,651 15.69,653 12.971,655 2.616,656 60.167,659 105.94,660 107.878,661 96.91,663 69.458,665 5.807,666 148.025,667 175.398,668 50.956,670 17.888,671 107.376,672 74.163,673 23.964,674 4.901,675 105.94,676 45.954,677 105.94,678 153.027,679 69.458,680 5.807,681 45.954,682 105.94,683 69.458,684 50.956,685 102.071,686 5.807,687 45.954,688 105.94,689 120.414,690 153.832,691 5.807,692 105.94,693 16.784,694 85.286,695 96.91,696 69.458,697 105.94,698 120.414,699 153.832,700 0.594,701 0.338,702 0.167,703 0.094,704 18,705 8,706 0.108,707 4,708 1,709 1.133,710 3.525,711 179.397,712 0.133,713 15,714 98.042,715 1,716 16.054,717 6.355,718 3.578,719 1.625,720 103.629,721 14.966,723 2.931,725 1.218,726 50.956,727 380.186,728 36,729 -3.803,730 36.181,731 -0.572,732 36.011,733 38.961,734 0.381,735 0.645,736 0.792,737 0.929,738 0.944,739 0.944,740 4.844,741 1.153,742 5.687,743 3.469,744 4.29,745 4.973,746 1.072,747 6.538,748 4.192,749 6.111,750 1,751 7.286,752 2.743,753 4.111,754 5.112,756 7.774,757 3.889,758 7.477,759 0.476,760 9,761 2.136,762 5.984,763 7.358,764 1.045,765 10.776,766 5.774,767 8.887,768 0.376,769 10.786,770 1.188,771 6.608,772 8.304,774 12.837,775 6.274,776 10.333,777 -0.422,778 12.62,779 0.881,780 8.025,781 10.089,782 1.019,783 15.459,784 7.68,785 11.804,786 -0.727,787 14.487,788 -1.069,789 8.981,790 11.37,792 17.806,793 8.521,794 13.294,795 -0.856,796 16.378,797 -1.633,798 10.243,799 12.994,800 0.993,801 20.333,802 9.745,803 3.374,804 -1,805 18.288,806 -2.347,807 11.338,808 14.417,810 22.782,811 10.735,812 3.058,813 12.405,814 20.211,815 -2.481,816 12.549,817 15.981,818 0.967,819 25.289,820 11.888,821 2.55,822 9.808,823 22.146,824 4.694,825 13.702,826 17.465,828 27.775,829 12.943,830 2.105,831 7.876,832 24.089,833 4.453,834 14.898,835 19.007,836 0.942,837 30.282,838 14.068,839 2.022,840 5.798,841 26.04,842 3.348,843 16.076,844 20.517,846 32.783,847 15.153,848 1.532,849 5.377,850 27.996,851 3.053,852 17.271,853 22.051,854 0.917,855 35.293,856 16.267,857 1.321,858 4.291,859 29.957,860 2.827,861 18.461,862 23.573,864 37.802,865 17.366,866 5652,867 10972,868 16.296,869 26.188,870 38.184,871 39.833,872 38.74,873 38.257,874 37.937,875 53.596,876 1.96,877 111.946,878 36.005,879 5.748,880 6.681,881 7.095,882 5.342,883 5.374,884 7.694,885 1.96,886 19.573,887 5.079,888 11.668,889 1.527,890 1.593,891 1.55,892 1.53,893 1.517,894 2.144,895 0.078,896 4.478,897 1.44,898 4.133,899 4.16,900 6.88,901 4.069,902 7.717,903 4.052,904 4.048,905 4.03,906 4.734,907 4.025,908 7.429,909 3.952,910 3.651,911 3.671,912 4.052,913 3.545,914 6.999,915 3.488,916 3.496,917 3.501,918 3.676,919 3.41,920 4.949,921 3.384,922 3.124,923 3.162,924 3.406,925 2.902,926 4.716,927 2.913,928 2.945,929 3.006,930 2.972,931 2.837,932 4.304,933 2.824,934 2.854,935 2.925,936 2.777,937 2.735,938 4.13,939 2.715,940 2.647,941 2.707,942 2.687,943 2.494,944 3.783,945 2.48,946 0.194,947 0.187,948 0.292,949 0.172,950 0.135,951 4.844,952 0.188,953 4.681,954 0.039,955 7.293,956 0.496,957 4.294,958 0.123,959 3.374,960 4.694,961 0.98,962 12.405,963 3.079,964 1.951,965 1.958,966 1.995,967 2.025,968 1.152,969 2.062,970 1.923,971 1.905,972 1.979,973 1.991,974 1.142,975 1.998,976 1.604,977 1.573,978 1.682,979 1.827,980 0.734,981 1.799,982 1.431,983 1.452,984 1.299,985 1.61,986 0.583,987 1.635,988 1.009,989 0.976,990 1.181,991 1.248,992 0.267,993 1.226,994 0.946,995 0.899,996 1.15,997 1.142,998 0.218,999 1.166,1000 0.886,1001 0.821,1002 1.073,1003 1.062,1004 0.144,1005 1.107,1006 0.695,1007 0.617,1008 0.967,1009 0.904,1010 0.026,1011 0.941,1012 3.932,1013 5.273,1014 2.398,1015 6.799,1016 4.727,1017 8.403,1018 6.843,1019 10.046,1020 3.355,1024 4.266,1029 25.055,1030 68.392,1031 115.711,1032 142.241,1033 166.77,1034 169.525,1035 169.525,1036 47.252,1037 6.796,1038 91.06,1039 99.44,1040 17,1041 12.325,1042 4.322,1043 3.585,1044 37.01,1045 83,1046 72,1047 0.22,1048 164.473,1049 274.32,1050 393.073,1051 7558,1052 2.9,1053 16.449,1054 0.715,1055 0.613,1056 17.699,1057 14.11,1058 10.954,1059 0.438,1060 0.355,1061 6.699,1062 9.25,1063 6.409,1064 5.306,1065 12.353,1066 8.887,1067 10.509,1068 0.292,1069 0.205,1070 12.649,1071 7.385,1072 8.372,1073 0.186,1074 0.11,1075 9.988,1076 4.937,1077 6.423,1078 0.117,1079 0.06,1080 7.787,1081 3.304,1082 5.252,1083 0.078,1084 0.033,1085 6.586,1086 2.231,1087 0.346,1088 85.175,1089 0.248,1090 22.717,1091 0.595,1092 122,1093 413.72,1094 236.991,1095 458.458,1096 601.75,1097 418,1098 142,1099 384.059,1100 226.145,1101 437.612,1102 633.63,1103 409,1104 4.824}
{0 CHEMBL207636,1 1.911,2 10.208,3 3.505,4 12.282,5 92.065,6 9.575,7 0.615,8 3.767,9 3.854,10 3.695,11 3.402,12 4.933,13 3.365,14 4.263,15 4.373,16 4.012,17 3.773,18 5.716,19 3.732,20 4.489,21 4.629,22 4.064,23 3.878,24 5.842,25 3.795,26 4.545,27 4.708,28 3.971,29 3.759,30 5.888,31 3.69,32 4.467,33 4.661,34 3.795,35 3.501,36 6.016,37 3.468,38 4.181,39 4.377,40 3.59,41 3.348,42 5.552,43 3.3,44 4.085,45 4.244,46 3.636,47 3.311,48 5.56,49 3.293,50 3.955,51 4.091,52 3.482,53 3.326,54 5.332,55 3.258,56 0.15,57 0.585,58 7.02,59 3.527,60 17.622,61 3.419,62 0.391,63 0.889,64 11.403,65 5.736,66 50.451,67 6.232,68 0.523,69 1.061,70 19.546,71 8.013,72 51.481,73 8.322,74 0.572,75 1.092,76 25.765,77 8.795,78 76.481,79 8.137,80 0.833,81 0.938,82 23.22,83 6.857,84 135.354,85 6.685,86 0.489,87 0.75,88 18.328,89 5.572,90 54.344,91 5.536,92 0.464,93 0.637,94 13.386,95 4.798,96 64.499,97 4.565,98 0.326,99 0.587,100 13.289,101 4.821,102 41.374,103 4.5,104 26,105 38,106 0.337,107 0.649,108 0.773,109 0.885,110 0.894,111 0.894,112 3.228,113 1.026,114 -3.82,115 -3.78,116 -3.59,118 42.1,119 1,122 8,123 2,124 2,127 2,129 1,130 8,131 1,133 3,134 3,135 10,137 5,138 4,139 1,140 5,141 9,143 7,145 1,146 7,147 3,148 2,149 4,151 8,154 5,155 2,156 4,159 6,161 4,162 2,163 5,165 4,166 5,168 2,169 1,170 8,171 748,172 15.61,173 15.61,174 15.61,175 15.61,176 15.61,177 13.289,178 10.073,179 8.964,180 15.944,181 12.799,182 12.799,183 12.799,184 12.799,185 12.799,186 9.186,187 6.893,188 4.245,189 13.393,190 3.337,191 1.566,192 0.862,193 0.23,194 0.178,195 0.178,196 3.901,197 1,198 1,199 1,200 523,201 3.742,202 53.937,203 156.924,204 104.75,206 1.476,207 35.725,208 1,209 0.6,210 0.8,211 52.833,212 245,213 4.878,214 4.704,215 7.388,216 4.344,217 3.422,218 4.735,219 0.98,220 12.794,221 3.131,222 4.516,223 3.56,224 6.353,225 4.036,226 3.059,227 4.453,229 9.808,230 2.983,231 3.927,232 3.052,233 5.821,234 3.541,235 2.557,236 3.396,237 7.885,238 2.511,239 3.826,240 2.64,241 5.564,242 3.354,243 2.359,244 3.337,245 7.018,246 2.348,247 3.487,248 2.51,249 4.957,250 2.983,251 2.09,252 2.827,253 5.791,254 1.772,255 3.03,256 1.671,257 4.402,258 2.521,259 1.533,260 2.291,261 4.292,262 1.512,263 2.864,264 1.523,265 4.243,266 2.414,267 1.414,268 2.023,269 3.565,270 1.414,271 2.707,272 1.506,273 4.024,274 2.28,275 1.314,276 1.759,277 3.169,278 1.256,279 2.648,280 1.429,281 3.605,282 2.125,283 1.134,284 1.658,285 2.839,286 1.116,287 1.945,288 0.935,289 3.216,290 1.435,291 0.477,292 0.688,293 1.189,294 0.434,295 1.747,296 0.643,297 3.158,298 1.409,299 0.386,300 0.487,301 0.903,302 0.396,303 1.097,304 0.378,305 2.672,306 0.746,307 -0.233,308 -0.291,309 -0.515,310 -0.225,311 1,312 0.068,313 2.414,314 0.425,315 -0.422,316 -0.544,318 -1.069,319 -0.28,320 0.949,321 -0.306,322 2.321,323 0.137,324 -0.843,325 -1.141,327 -2.058,328 -0.809,329 0.625,330 -0.413,331 2,332 0.108,333 -0.856,334 -1.22,335 -2.481,336 -0.817,337 11.748,338 0.489,339 0.807,340 0.034,341 33.25,342 1.385,343 18.5,344 0.771,345 14.75,346 0.615,347 17.261,348 0.719,349 25.452,350 0.67,351 24.854,352 1.036,353 6.545,354 0.273,355 4.82,356 0.201,357 0.188,358 0.071,359 0.298,362 0.534,363 1.063,364 0.683,365 1.036,366 0.637,367 0.783,368 0.527,369 1.135,370 0.71,371 0.935,372 0.534,373 0.883,374 0.847,375 1.125,376 1.08,377 1.13,378 0.893,379 1.113,380 1.341,381 1.286,382 1.219,383 1.312,384 1.359,385 1.139,386 1.486,387 1,388 0.942,389 0.826,390 1.473,391 0.879,392 1.295,393 0.927,394 1.002,395 0.864,396 1.241,397 0.787,398 1.384,399 0.887,400 0.741,401 0.788,402 1.559,403 0.789,404 1.288,405 0.981,406 1.166,407 1.111,408 1.335,409 1.002,410 6.5,411 0.065,412 3.778,413 2.354,414 1.458,415 0.764,416 0.483,417 0.385,418 0.204,419 0.235,420 6397,421 22473,422 2.005,423 36.8,424 3,425 8,427 3,429 1.666,430 1.834,431 3.316,432 1.08,434 1,436 72.609,437 1.911,438 3.682,439 4.386,440 5.018,441 5.07,442 5.07,443 2.721,444 4.335,445 4.561,446 3.467,447 956.893,448 7.854,449 11325.6,450 1,451 1,452 1,453 199.421,454 1.697,455 4.483,456 0.25,457 0.004,458 0.099,459 0.064,460 0.046,461 0.029,462 0.021,463 0.017,464 0.01,465 0.012,466 0.552,467 0.33,468 0.663,469 114.54,470 0.058,471 0.115,472 0.125,473 -0.01,474 -0.145,475 0.075,476 0.245,477 -0.054,478 0.044,479 -0.01,480 0.207,481 -0.013,482 0.061,483 -0.089,484 -0.121,485 -0.124,486 -0.004,487 -0.183,488 -0.221,489 -0.26,490 -0.177,491 -0.239,492 -0.163,493 -0.184,494 -0.104,495 -0.031,496 -0.003,497 0.08,498 0.022,499 0.054,500 -0.135,501 0.111,502 -0.009,503 0.126,504 -0.063,505 0.169,506 -0.105,507 0.069,508 0.12,509 0.116,510 -0.125,511 0.127,512 -0.215,513 0.017,514 -0.173,515 -0.05,516 -0.146,517 -0.055,518 4.764,519 5.252,520 0.625,521 18.264,522 1.026,523 1.118,524 2.586,525 6.688,526 0.722,527 3.296,528 3.664,529 3.892,530 4.111,531 4.263,532 4.248,533 4.263,534 4.331,535 4.234,536 4.22,537 6.052,538 0.694,539 363.85,540 3.296,541 4.86,542 5.707,543 6.6,544 7.466,545 8.359,546 9.231,547 10.124,548 10.998,549 11.891,550 7.9,551 1,552 1,553 1,556 2,557 8,559 1,561 4,562 16,565 1,566 38,567 19,568 2,569 26,571 40,572 16,573 14,574 5,575 7,576 1,577 3,578 4,579 1,580 1,583 15,584 1,585 3,586 1,587 3,588 1,589 1,590 1,593 14,594 5,595 3,596 8,597 2,599 3,600 0.667,601 3,603 1,604 1,605 2,606 1,608 2,609 1,611 1,612 1,614 24,615 1,616 2,622 1,623 7.9,624 3,626 13.083,627 6.976,628 5.125,629 2.015,630 2.941,631 1.427,632 1.02,633 4.54,634 9.835,635 3.638,636 4.327,637 4.876,638 5.448,639 5.941,640 6.173,641 6.445,642 6.739,643 6.595,644 6.631,645 0.857,646 37,647 9.123,649 4.233,650 8.133,651 16.355,653 13.533,655 2.633,656 63.194,659 129.482,660 110.858,661 50.956,662 39.149,663 69.458,665 5.807,666 105.051,667 238.089,668 50.956,669 8.825,670 17.888,671 97.9,672 74.163,673 27.595,674 4.901,675 129.482,676 39.149,677 129.482,678 156.007,679 69.458,680 44.956,682 129.482,683 69.458,684 59.781,685 96.225,686 44.956,688 129.482,689 120.414,690 150.007,691 5.807,692 129.482,693 20.415,694 84.635,695 50.956,696 108.607,697 129.482,698 120.414,699 150.007,700 0.599,701 0.344,702 0.175,703 0.092,704 19,705 9,706 0.1,707 4,708 1,709 1.133,710 3.558,711 192.055,712 0.133,713 15,714 106.039,715 1,716 16.831,717 6.474,718 3.587,719 1.487,720 103.629,721 13.245,723 2.904,725 1.46,726 50.956,727 399.903,728 37,729 -3.848,730 36.664,731 -0.598,732 38.989,733 42.478,734 0.364,735 0.702,736 0.836,737 0.956,738 0.966,739 0.966,740 4.883,741 1.314,742 5.753,743 3.565,744 4.344,745 5.014,746 1.072,747 6.621,748 4.257,749 6.159,750 1.134,751 7.363,752 3.169,753 4.205,754 5.19,756 7.867,757 4.016,758 7.532,759 0.477,760 9.087,761 2.839,762 6.052,763 7.408,764 1.045,765 10.897,766 5.86,767 8.947,768 0.386,769 10.881,770 1.189,771 6.698,772 8.372,774 12.967,775 6.395,776 10.396,777 -0.233,778 12.72,779 0.903,780 8.103,781 10.144,782 1.019,783 15.623,784 7.779,785 11.869,786 -0.422,787 14.592,788 -0.515,789 9.075,790 11.435,792 17.991,793 8.641,794 13.362,795 -0.843,796 16.49,797 -1.069,798 10.336,799 13.053,800 0.993,801 20.555,802 9.857,803 3.422,804 -0.856,805 18.406,806 -2.058,807 11.444,808 14.484,810 23.032,811 10.862,812 3.059,813 12.794,814 20.338,815 -2.481,816 12.661,817 16.047,818 0.967,819 25.575,820 12.014,821 2.557,822 9.808,823 22.281,824 4.735,825 13.826,826 17.537,828 28.093,829 13.082,830 2.359,831 7.885,832 24.235,833 4.453,834 15.033,835 19.082,836 0.942,837 30.635,838 14.212,839 2.09,840 7.018,841 26.196,842 3.396,843 16.225,844 20.599,846 33.169,847 15.309,848 1.533,849 5.791,850 28.164,851 3.337,852 17.432,853 22.138,854 0.917,855 35.712,856 16.433,857 1.414,858 4.292,859 30.137,860 2.827,861 18.637,862 23.667,864 38.254,865 17.544,866 6233,867 11839,868 16.701,869 27.455,870 39.843,871 41.726,872 41.154,873 39.732,874 39.488,875 55.309,876 1.96,877 118.508,878 37.744,879 5.785,880 6.704,881 7.071,882 5.398,883 5.422,884 7.735,885 1.96,886 20.417,887 5.131,888 13.465,889 1.532,890 1.605,891 1.583,892 1.528,893 1.519,894 2.127,895 0.075,896 4.558,897 1.452,898 4.136,899 4.162,900 4.735,901 4.076,902 7.717,903 4.052,904 4.06,905 4.045,906 4.136,907 4.025,908 7.429,909 3.972,910 3.667,911 3.683,912 3.72,913 3.563,914 6.999,915 3.498,916 3.501,917 3.506,918 3.697,919 3.384,920 5.027,921 3.379,922 3.169,923 3.257,924 3.272,925 3.021,926 4.707,927 2.996,928 3.126,929 3.163,930 2.961,931 2.867,932 4.642,933 2.904,934 2.946,935 3.007,936 2.881,937 2.831,938 4.165,939 2.82,940 2.73,941 2.801,942 2.641,943 2.585,944 3.905,945 2.564,946 0.188,947 0.181,948 0.284,949 0.167,950 0.132,951 4.878,952 0.182,953 4.704,954 0.038,955 7.388,956 0.492,957 4.344,958 0.12,959 3.422,960 4.735,961 0.98,962 12.794,963 3.131,964 1.973,965 1.978,966 2.022,967 2.041,968 1.212,969 2.077,970 1.922,971 1.903,972 1.989,973 1.996,974 1.133,975 2.001,976 1.606,977 1.576,978 1.682,979 1.832,980 0.736,981 1.805,982 1.434,983 1.458,984 1.552,985 1.616,986 0.621,987 1.641,988 1.207,989 1.126,990 1.297,991 1.418,992 0.576,993 1.469,994 1.006,995 0.971,996 1.157,997 1.247,998 0.251,999 1.225,1000 0.944,1001 0.897,1002 1.11,1003 1.151,1004 0.145,1005 1.171,1006 0.749,1007 0.681,1008 0.999,1009 0.955,1010 0.098,1011 0.996,1012 3.97,1013 5.323,1014 2.398,1015 6.86,1016 4.727,1017 8.477,1018 6.843,1019 10.137,1021 1.678,1022 5.905,1024 4.296,1029 26.384,1030 72.609,1031 139.911,1032 166.666,1033 190.666,1034 192.666,1035 192.666,1036 53.775,1037 6.894,1038 91.06,1039 99.44,1040 17,1041 12.421,1042 4.322,1043 3.585,1044 39.431,1045 89,1046 78,1047 0.22,1048 170.484,1049 287.55,1050 407.741,1051 8595,1052 2.6,1053 17.32,1054 0.722,1055 0.592,1056 18.07,1057 14.202,1058 11.365,1059 0.437,1060 0.342,1061 7.097,1062 9.94,1063 6.755,1064 5.618,1065 12.475,1066 8.889,1067 11.043,1068 0.291,1069 0.193,1070 12.756,1071 7.327,1072 8.777,1073 0.183,1074 0.107,1075 10.15,1076 5.152,1077 6.997,1078 0.117,1079 0.06,1080 8.297,1081 3.587,1082 5.397,1083 0.077,1084 0.031,1085 6.478,1086 2.175,1087 0.347,1088 82.443,1089 0.245,1090 23.487,1091 0.599,1092 128,1093 429.269,1094 192.64,1095 467.113,1096 614.84,1097 426,1098 150,1099 398.189,1100 217.31,1101 450.052,1102 652.52,1103 420,1104 5.936}
{0 CHEMBL207686,1 1.809,2 9.5,3 2.354,4 5.541,5 82.219,6 9.011,7 0.667,8 3.69,9 3.78,10 3.59,11 3.311,12 4.861,13 3.28,14 4.17,15 4.274,16 3.859,17 3.663,18 5.647,19 3.628,20 4.405,21 4.567,22 3.853,23 3.718,24 5.763,25 3.645,26 4.4,27 4.581,28 3.721,29 3.533,30 5.74,31 3.488,32 4.204,33 4.393,34 3.571,35 3.288,36 5.798,37 3.278,38 4.027,39 4.201,40 3.46,41 3.212,42 5.477,43 3.183,44 3.971,45 4.132,46 3.345,47 3.178,48 5.377,49 3.155,50 3.802,51 3.959,52 3.272,53 3.19,54 5.123,55 3.114,56 0.135,57 0.556,58 7.574,59 3.289,60 16.411,61 3.193,62 0.347,63 0.839,64 10.707,65 5.143,66 44.667,67 5.533,68 0.465,69 1.007,70 18.713,71 7.333,72 44.441,73 7.874,74 0.525,75 0.951,76 20.26,77 6.728,78 77.894,79 6.445,80 0.554,81 0.774,82 16.271,83 4.988,84 95.603,85 5.232,86 0.382,87 0.662,88 14.126,89 4.609,90 42.12,91 4.511,92 0.363,93 0.59,94 11.22,95 4.08,96 58.268,97 3.745,98 0.201,99 0.537,100 10.946,101 4.211,102 21.517,103 4.21,104 10,105 34,106 0.324,107 0.544,108 0.669,109 0.818,110 0.867,111 0.867,112 3.146,113 0.999,114 -3.06,115 -3.05,116 -2.94,118 42.9,122 10,123 1,124 1,127 2,129 1,130 9,131 1,133 3,134 3,135 9,137 5,138 4,139 1,140 5,141 6,143 5,145 1,146 7,147 1,148 2,149 4,151 6,154 6,155 2,156 5,159 4,161 4,162 2,163 5,165 2,166 4,168 4,169 1,170 7,171 594,172 14.662,173 14.662,174 14.662,175 14.662,176 14.662,177 12.42,178 7.317,179 8.657,180 14.871,181 11.844,182 11.844,183 11.844,184 11.844,185 11.844,186 8.381,187 5.648,188 4.11,189 12.183,190 3.321,191 2.091,192 1.395,193 0.56,194 0.286,195 0.286,196 3.823,198 1,199 1,200 452,201 3.606,202 48.601,203 142.392,204 95.19,206 1.409,207 30.911,208 1,209 0.4,210 0.77,211 48.5,212 209,213 4.844,214 4.681,215 7.293,216 4.294,217 3.374,218 4.694,219 0.98,220 12.405,221 3.079,222 4.495,223 3.559,224 6.337,225 4.018,226 3.037,227 4.424,229 9.744,230 2.972,231 3.866,232 2.882,233 5.796,234 3.488,235 2.485,236 3.259,237 7.77,238 2.481,239 3.553,240 2.044,241 4.927,242 3.034,243 2.034,244 3.05,245 5.385,246 2.033,247 3.032,248 1.784,249 4.414,250 2.533,251 1.535,252 2.298,253 4.312,254 1.529,255 3.013,256 1.532,257 4.138,258 2.508,259 1.532,260 2.222,261 3.666,262 1.491,263 2.709,264 1.43,265 3.653,266 2.246,267 1.262,268 1.788,269 2.869,270 1.237,271 2.608,272 1.309,273 3.576,274 2.11,275 1.12,276 1.597,277 2.701,278 1.104,279 2.5,280 1,281 3.247,282 2,283 1,284 1.5,285 2.136,286 1,287 1.847,288 0.927,289 3.14,290 1.418,291 0.378,292 0.521,293 0.877,294 0.389,295 1.744,296 0.347,297 3,298 1.32,299 0.347,300 0.477,301 0.86,302 0.337,303 1,304 0.13,305 2.565,306 0.232,307 -0.727,308 -0.994,309 -1.633,310 -0.677,311 0.736,312 -0.361,313 2.362,314 0.231,315 -0.768,316 -1.108,318 -1.889,319 -0.762,320 0.729,321 -0.765,322 2,323 0.028,324 -1,325 -1.315,327 -2.347,328 -0.981,329 0.5,330 -1,331 2,333 -1,334 -1.5,335 -2.625,336 -1,337 10.533,338 0.479,339 0.612,340 0.028,341 32,342 1.455,343 18.5,344 0.841,345 13.5,346 0.614,347 13.143,348 0.597,349 23.067,350 0.659,351 22.94,352 1.043,353 6.415,354 0.292,355 4.145,356 0.188,357 0.095,358 0.079,359 0.237,362 0.533,363 1.043,364 0.799,365 1.103,366 0.635,367 0.8,368 0.523,369 1.202,370 0.874,371 1.082,372 0.558,373 1.026,374 0.789,375 1.12,376 1.122,377 1.167,378 0.845,379 1.103,380 1.536,381 1.109,382 1.188,383 1.076,384 1.538,385 1.036,386 1.283,387 1.064,388 0.936,389 0.888,390 1.124,391 0.85,392 1.37,393 1.049,394 1.15,395 0.998,396 1.316,397 0.87,398 1.827,399 0.851,400 1.007,401 0.728,402 1.857,403 0.837,404 1.09,405 0.926,406 1.242,407 1.105,408 0.98,409 0.96,410 5,411 0.019,412 3.111,413 1.604,414 1.076,415 0.66,416 0.361,417 0.292,418 0.204,419 0.125,420 5217,421 16493,422 2.059,423 37.1,425 10,427 3,429 1.642,430 1.927,431 3.247,432 1.114,434 1,435 1,436 63.306,437 1.809,438 3.038,439 3.734,440 4.569,441 4.844,442 4.844,443 2.681,444 3.732,445 4.436,446 3.384,447 781.751,448 7.599,449 8693.61,450 1,452 1,453 179.525,454 1.529,455 4.381,456 0.208,457 0.002,458 0.092,459 0.05,460 0.041,461 0.029,462 0.017,463 0.015,464 0.011,465 0.008,466 0.474,467 0.33,468 0.595,469 101.814,470 0.075,471 0.12,472 0.205,473 -0.008,474 -0.148,475 0.083,476 0.278,477 -0.126,478 -0.03,479 -0.126,480 0.189,481 -0.16,482 0.136,483 -0.104,484 -0.078,485 -0.138,486 0.051,487 -0.143,488 -0.274,489 -0.12,490 -0.119,491 -0.095,492 -0.244,493 -0.101,494 0.041,495 -0.077,496 0.073,497 0.024,498 0.214,499 0.073,500 -0.105,501 -0.023,502 -0.03,503 0.016,504 -0.039,505 0.059,506 -0.426,507 0.102,508 -0.087,509 0.173,510 -0.344,511 0.06,512 -0.17,513 0.078,514 -0.112,515 0.008,516 -0.035,517 0.032,518 4.706,519 5.023,520 0.682,521 15.727,522 1.022,523 1.118,524 1.826,525 3.333,526 0.71,527 3.219,528 3.555,529 3.784,530 3.97,531 4.143,532 4.094,533 4.094,534 4.127,535 4.078,536 4.043,537 5.731,538 0.687,539 315.38,540 3.219,541 4.762,542 5.602,543 6.479,544 7.339,545 8.217,546 9.084,547 9.962,548 10.832,549 11.711,550 8.6,551 1,552 1,553 1,556 2,557 10,559 1,561 2,562 16,566 35,567 19,568 2,569 24,571 37,572 15,573 14,574 3,575 9,576 1,577 3,578 4,583 15,585 3,586 1,587 3,588 1,589 1,590 1,593 13,594 5,595 3,596 7,597 1,599 3,600 0.667,601 3,603 1,604 1,605 2,606 1,608 2,609 1,614 22,615 1,616 2,623 8.6,624 3,626 11.417,627 6,628 4.764,629 1.833,630 2.882,631 1.432,632 1.033,633 3.878,634 9.558,635 3.584,636 4.245,637 4.793,638 5.337,639 5.838,640 6.022,641 6.294,642 6.535,643 6.416,644 6.52,645 1,646 32,647 8.365,649 3.884,650 8.125,651 15.02,653 12.408,655 2.625,656 57.75,659 117.711,660 114.299,661 50.956,663 69.458,665 5.807,666 108.492,667 187.169,668 50.956,670 17.888,671 116.852,672 74.163,673 20.909,674 4.901,675 117.711,677 117.711,678 159.448,679 69.458,680 5.807,682 117.711,683 69.458,684 50.956,685 108.492,686 5.807,688 117.711,689 120.414,690 114.299,691 5.807,692 117.711,693 13.729,694 94.762,695 50.956,696 69.458,697 117.711,698 120.414,699 114.299,700 0.588,701 0.339,702 0.17,703 0.092,704 17,705 7,706 0.108,707 4,708 1,709 1.133,710 3.468,711 168.127,712 0.133,713 15,714 92.107,715 1,716 14.631,717 5.831,718 3.159,719 1.678,720 103.629,721 16.853,723 2.924,725 0.351,726 50.956,727 352.424,728 35,729 -3.789,730 36.031,731 -0.56,732 35.782,733 39.119,734 0.353,735 0.592,736 0.728,737 0.891,738 0.944,739 0.944,740 4.804,741 1.12,742 5.624,743 2.869,744 4.234,745 4.931,746 1.072,747 6.472,748 4.174,749 6.061,750 1,751 7.219,752 2.701,753 4.007,754 5.027,756 7.727,757 3.852,758 7.422,759 0.378,760 8.936,761 2.136,762 5.922,763 7.311,764 1.045,765 10.733,766 5.757,767 8.83,768 0.347,769 10.728,770 0.877,771 6.538,772 8.248,774 12.817,775 6.253,776 10.277,777 -0.727,778 12.57,779 0.86,780 7.973,781 10.048,782 1.019,783 15.437,784 7.666,785 11.751,786 -0.768,787 14.446,788 -1.633,789 8.933,790 11.329,792 17.795,793 8.507,794 13.246,795 -1,796 16.345,797 -1.889,798 10.203,799 12.96,800 0.993,801 20.322,802 9.734,803 3.374,804 -1,805 18.261,806 -2.347,807 11.301,808 14.384,810 22.774,811 10.724,812 3.037,813 12.405,814 20.19,815 -2.625,816 12.516,817 15.95,818 0.967,819 25.282,820 11.877,821 2.485,822 9.744,823 22.129,824 4.694,825 13.672,826 17.434,828 27.769,829 12.932,830 2.034,831 7.77,832 24.075,833 4.424,834 14.871,835 18.976,836 0.942,837 30.277,838 14.057,839 1.535,840 5.385,841 26.029,842 3.259,843 16.051,844 20.486,846 32.779,847 15.142,848 1.532,849 4.312,850 27.987,851 3.05,852 17.247,853 22.02,854 0.917,855 35.289,856 16.256,857 1.262,858 3.666,859 29.949,860 2.298,861 18.439,862 23.542,864 37.799,865 17.354,866 5027,867 9098,868 15.89,869 24.835,870 36.34,871 37.72,872 36.711,873 36.303,874 36.21,875 51.66,876 1.96,877 105.451,878 35.304,879 5.748,880 6.681,881 7.095,882 5.342,883 5.374,884 7.694,885 1.96,886 19.573,887 5.079,888 9.529,889 1.514,890 1.572,891 1.53,892 1.513,893 1.509,894 2.152,895 0.082,896 4.394,897 1.471,898 4.132,899 4.161,900 4.734,901 4.063,902 7.717,903 4.045,904 4.048,905 4.03,906 4.079,907 4.016,908 7.429,909 3.951,910 3.65,911 3.672,912 3.676,913 3.543,914 6.999,915 3.484,916 3.491,917 3.505,918 3.463,919 3.359,920 4.954,921 3.359,922 3.118,923 3.166,924 3.051,925 2.851,926 4.716,927 2.888,928 2.942,929 3.007,930 2.814,931 2.809,932 4.29,933 2.806,934 2.854,935 2.925,936 2.687,937 2.735,938 4.123,939 2.715,940 2.646,941 2.707,942 2.517,943 2.491,944 3.772,945 2.477,946 0.202,947 0.195,948 0.304,949 0.179,950 0.141,951 4.844,952 0.196,953 4.681,954 0.041,955 7.293,956 0.517,957 4.294,958 0.128,959 3.374,960 4.694,961 0.98,962 12.405,963 3.079,964 1.951,965 1.958,966 2.027,967 2.025,968 1.152,969 2.062,970 1.927,971 1.902,972 1.995,973 2.009,974 1.133,975 2.017,976 1.604,977 1.573,978 1.682,979 1.829,980 0.734,981 1.8,982 1.431,983 1.452,984 1.299,985 1.612,986 0.583,987 1.635,988 1.02,989 0.968,990 1.224,991 1.257,992 0.3,993 1.236,994 0.949,995 0.897,996 1.181,997 1.18,998 0.218,999 1.202,1000 0.886,1001 0.821,1002 1.104,1003 1.062,1004 0.158,1005 1.107,1006 0.698,1007 0.616,1008 1.01,1009 0.932,1010 0.029,1011 0.968,1012 3.892,1013 5.22,1014 2.398,1015 6.742,1016 4.727,1017 8.341,1018 6.843,1019 9.979,1024 4.261,1029 24.03,1030 63.306,1031 106.331,1032 130.696,1033 159.915,1034 169.525,1035 169.525,1036 43.313,1037 6.676,1038 91.06,1039 99.44,1040 17,1041 12.249,1042 4.322,1043 3.585,1044 34.627,1045 77,1046 64,1047 0.223,1048 152.559,1049 255.04,1050 364.003,1051 6544,1053 15.579,1054 0.708,1055 0.556,1056 15.829,1057 12.223,1058 10.56,1059 0.44,1060 0.333,1061 6.551,1062 9.43,1063 6.316,1064 5.256,1065 11.382,1066 7.994,1067 9.876,1068 0.29,1069 0.186,1070 11.199,1071 6.325,1072 8.037,1073 0.187,1074 0.102,1075 9.128,1076 4.391,1077 6.167,1078 0.119,1079 0.056,1080 7.062,1081 2.895,1082 4.98,1083 0.08,1084 0.03,1085 5.812,1086 1.887,1087 0.351,1088 74.441,1089 0.251,1090 21.853,1091 0.606,1092 116,1093 387.066,1094 165.12,1095 396.301,1096 530.38,1097 362,1098 135,1099 360.326,1100 190.881,1101 400.964,1102 580.07,1103 375,1104 4.444}
{0 CHEMBL377308,1 1.95,2 10.13,3 3.113,4 9.688,5 87.596,6 11.625,7 0.64,8 3.676,9 3.737,10 3.762,11 3.339,12 4.877,13 3.308,14 4.159,15 4.231,16 4.112,17 3.695,18 5.679,19 3.663,20 4.383,21 4.502,22 4.124,23 3.755,24 5.814,25 3.68,26 4.343,27 4.48,28 4.007,29 3.57,30 5.734,31 3.523,32 4.151,33 4.29,34 3.945,35 3.325,36 5.815,37 3.326,38 3.992,39 4.132,40 3.657,41 3.216,42 5.528,43 3.202,44 3.922,45 4.054,46 3.802,47 3.195,48 5.394,49 3.187,50 3.785,51 3.897,52 3.549,53 3.195,54 5.167,55 3.132,56 0.16,57 0.493,58 2.517,59 3.211,60 19.871,61 2.599,62 0.413,63 0.747,64 3.674,65 5.057,66 48.34,67 4.521,68 0.662,69 0.899,70 22.587,71 8.025,72 58.57,73 7.029,74 0.668,75 0.86,76 18.621,77 7.372,78 86.327,79 5.461,80 0.655,81 0.71,82 18.149,83 5.818,84 100.724,85 4.345,86 0.541,87 0.618,88 9.316,89 4.613,90 57.479,91 3.705,92 0.425,93 0.546,94 9.923,95 4.302,96 53.843,97 3.266,98 0.314,99 0.471,100 14.206,101 4.538,102 30.335,103 3.684,104 17,105 36,106 0.351,107 0.593,108 0.718,109 0.848,110 0.863,111 0.863,112 3.188,113 1.055,114 -3.7,115 -3.66,116 -3.49,117 1,118 44.1,122 9,123 1,124 2,127 2,129 1,130 7,131 1,132 3,133 3,135 9,136 1,137 7,138 4,140 3,141 7,143 5,144 1,146 6,147 2,148 2,149 5,151 6,153 2,154 5,156 4,159 7,161 2,162 2,163 7,165 1,166 4,168 3,170 7,171 689,172 15.11,173 15.11,174 15.11,175 15.11,176 15.11,177 12.842,178 8.96,179 8.794,180 15.431,181 12.328,182 12.328,183 12.328,184 12.328,185 12.328,186 8.793,187 6.324,188 4.189,189 12.892,190 3.137,191 1.796,192 1.097,193 0.375,194 0.294,195 0.294,196 3.863,199 1,200 500,201 3.674,202 51.458,203 149.652,204 99.867,206 1.452,207 35.087,209 0.4,210 0.77,211 50.75,212 233,213 4.844,214 4.681,215 7.293,216 4.295,217 3.374,218 4.694,219 0.98,220 12.405,221 3.09,222 4.516,223 3.56,224 6.353,225 4.054,226 3.058,227 4.453,229 9.808,230 3.031,231 3.921,232 3.034,233 5.818,234 3.536,235 2.55,236 3.348,237 7.876,238 2.51,239 3.557,240 2.616,241 4.962,242 3.044,243 2.105,244 3.053,245 5.798,246 2.034,247 3.484,248 2.043,249 4.921,250 2.967,251 2.022,252 2.827,253 5.377,254 1.724,255 3.03,256 1.668,257 4.401,258 2.532,259 1.532,260 2.291,261 4.291,262 1.532,263 2.725,264 1.506,265 4.111,266 2.302,267 1.321,268 1.8,269 3.469,270 1.278,271 2.665,272 1.43,273 3.64,274 2.149,275 1.153,276 1.668,277 2.743,278 1.138,279 2.5,280 1,281 3.247,282 2,283 1,284 1.5,285 2.136,286 1,287 1.945,288 0.929,289 3.161,290 1.45,291 0.476,292 0.688,293 1.188,294 0.435,295 1.745,296 0.629,297 3.143,298 1.412,299 0.376,300 0.477,301 0.881,302 0.388,303 1,304 0.131,305 2.57,306 0.416,307 -0.422,308 -0.544,309 -1.069,310 -0.236,311 0.949,312 0.049,313 2.407,314 0.231,315 -0.727,316 -1.001,318 -1.633,319 -0.677,320 0.736,321 -0.371,322 2.319,323 0.118,324 -0.856,325 -1.188,327 -2.347,328 -0.81,329 0.62,330 -0.807,331 2,332 0.028,333 -1,334 -1.337,335 -2.481,336 -1,337 11.8,338 0.513,339 0.718,340 0.031,341 32.5,342 1.413,343 18.5,344 0.804,345 14,346 0.609,347 16.237,348 0.706,349 23.6,350 0.694,351 22.662,352 0.985,353 6.25,354 0.272,355 4.705,356 0.205,357 0.198,358 0.071,359 0.254,362 0.579,363 0.991,364 0.524,365 0.944,366 0.65,367 0.734,368 0.654,369 1.09,370 0.625,371 0.903,372 0.58,373 0.909,374 0.912,375 1.086,376 1.052,377 1.111,378 0.884,379 1.087,380 1.524,381 1.155,382 0.887,383 1.001,384 1.563,385 1.019,386 1.246,387 1.147,388 0.924,389 0.991,390 1.208,391 0.904,392 1.222,393 1.032,394 0.508,395 0.743,396 1.321,397 0.8,398 1.383,399 0.915,400 0.708,401 0.836,402 1.56,403 0.811,404 1.239,405 0.923,406 1.002,407 1.143,408 1.041,409 0.989,410 6,411 0.052,412 3.333,413 1.792,414 1.267,415 0.764,416 0.442,417 0.323,418 0.204,419 0.17,420 5828,421 22170,422 2.031,423 32.4,425 9,427 2,429 1.654,430 1.878,431 3.32,432 0.407,434 1,436 66.317,437 1.95,438 3.292,439 3.991,440 4.712,441 4.793,442 4.793,443 2.736,444 4.056,445 4.499,446 3.451,447 873.158,448 7.726,449 10036.5,452 1,453 172.974,454 1.631,455 4.433,456 0.24,457 0.004,458 0.093,459 0.053,460 0.045,461 0.031,462 0.02,463 0.015,464 0.011,465 0.01,466 0.521,467 0.33,468 0.636,469 108.328,470 0.053,471 0.109,472 0.028,473 -0.051,474 -0.147,475 0.052,476 0.183,477 -0.054,478 -0.015,479 -0.071,480 0.18,481 -0.119,482 0.085,483 -0.089,484 -0.116,485 -0.103,486 0.043,487 -0.135,488 -0.317,489 -0.144,490 -0.073,491 -0.033,492 -0.283,493 -0.077,494 0.007,495 -0.109,496 -0.008,497 -0.051,498 0.168,499 0.022,500 -0.018,501 0.025,502 0.022,503 0.117,504 -0.028,505 0.099,506 -0.204,507 0.077,508 0.08,509 0.053,510 -0.213,511 0.105,512 -0.207,513 0.032,514 -0.101,515 -0.086,516 -0.062,517 -0.009,518 4.748,519 5.034,520 0.652,521 17.524,522 1.036,523 1.108,524 2.465,525 6.078,526 0.754,527 3.258,528 3.611,529 3.829,530 4.025,531 4.22,532 4.205,533 4.22,534 4.263,535 4.19,536 4.143,537 5.956,538 0.728,539 395.25,540 3.258,541 4.812,542 5.652,543 6.535,544 7.397,545 8.28,546 9.149,547 10.033,548 10.906,549 11.789,550 5.9,551 1,552 1,556 2,557 9,560 1,561 3,562 16,565 1,566 34,567 19,568 2,569 25,570 1,571 36,572 15,573 14,574 4,575 8,576 1,577 3,578 4,583 15,585 3,586 1,587 3,588 1,590 1,592 1,593 11,594 6,595 2,596 8,597 2,599 2,600 0.667,601 4,604 1,605 2,606 1,608 2,609 1,610 1,614 23,615 1,616 2,622 1,623 11.8,624 3,625 1,626 12.25,627 5.976,628 4.931,629 1.772,630 2.884,631 1.424,632 1.021,633 4.436,634 9.68,635 3.611,636 4.287,637 4.829,638 5.385,639 5.909,640 6.138,641 6.426,642 6.687,643 6.576,644 6.594,645 0.857,646 34,647 8.742,649 4.061,650 8.159,651 15.592,653 12.819,655 2.659,656 61.167,659 105.94,660 113.262,661 80.125,663 78.965,665 5.807,666 153.409,667 184.905,668 34.171,670 17.888,671 107.376,672 74.163,673 16.686,674 10.285,675 105.94,676 45.954,677 105.94,678 141.625,679 78.965,680 5.807,681 45.954,682 105.94,683 78.965,684 34.171,685 107.455,686 5.807,687 45.954,688 105.94,689 113.136,690 159.216,691 5.807,692 105.94,693 22.168,694 85.286,695 80.125,696 78.965,697 105.94,698 113.136,699 159.216,700 0.594,701 0.338,702 0.167,703 0.094,704 18,705 8,706 0.111,707 4,708 1,709 1.133,710 3.525,711 179.397,712 0.133,713 15,714 98.042,715 1,716 16.054,717 6.355,718 3.578,719 1.264,720 113.136,721 14.553,724 5.388,725 0.908,726 34.171,727 378.292,728 36,729 -3.831,730 36.078,731 -0.683,732 35.236,733 37.672,734 0.383,735 0.647,736 0.784,737 0.926,738 0.942,739 0.942,740 4.844,741 1.153,742 5.687,743 3.469,744 4.29,745 4.973,746 1.072,747 6.538,748 4.21,749 6.111,750 1,751 7.286,752 2.743,753 4.111,754 5.112,756 7.774,757 3.914,758 7.477,759 0.476,760 9,761 2.136,762 5.984,763 7.358,764 1.045,765 10.776,766 5.811,767 8.887,768 0.376,769 10.786,770 1.188,771 6.608,772 8.304,774 12.837,775 6.32,776 10.333,777 -0.422,778 12.62,779 0.881,780 8.025,781 10.089,782 1.019,783 15.459,784 7.736,785 11.804,786 -0.727,787 14.487,788 -1.069,789 8.981,790 11.37,792 17.806,793 8.588,794 13.294,795 -0.856,796 16.378,797 -1.633,798 10.243,799 12.994,800 0.993,801 20.333,802 9.821,803 3.374,804 -1,805 18.288,806 -2.347,807 11.338,808 14.417,810 22.782,811 10.822,812 3.058,813 12.405,814 20.211,815 -2.481,816 12.549,817 15.981,818 0.967,819 25.289,820 11.983,821 2.55,822 9.808,823 22.146,824 4.694,825 13.702,826 17.465,828 27.775,829 13.048,830 2.105,831 7.876,832 24.089,833 4.453,834 14.898,835 19.007,836 0.942,837 30.282,838 14.181,839 2.022,840 5.798,841 26.04,842 3.348,843 16.076,844 20.517,846 32.783,847 15.275,848 1.532,849 5.377,850 27.996,851 3.053,852 17.271,853 22.051,854 0.917,855 35.293,856 16.398,857 1.321,858 4.291,859 29.957,860 2.827,861 18.461,862 23.573,864 37.802,865 17.505,866 5652,867 11182,868 16.296,869 25.636,870 38.184,871 39.833,872 38.74,873 38.276,874 37.937,875 53.596,876 1.96,877 111.946,878 36.32,879 5.748,880 6.681,881 7.095,882 5.335,883 5.374,884 7.694,885 1.96,886 19.573,887 5.09,888 11.668,889 1.527,890 1.593,891 1.55,892 1.531,893 1.517,894 2.144,895 0.078,896 4.478,897 1.453,898 4.114,899 4.112,900 6.88,901 4.059,902 7.717,903 4.027,904 4.044,905 4.025,906 4.734,907 4.004,908 7.429,909 3.95,910 3.65,911 3.67,912 4.033,913 3.544,914 6.999,915 3.486,916 3.484,917 3.475,918 3.676,919 3.384,920 5.106,921 3.366,922 3.105,923 3.134,924 3.404,925 2.89,926 4.717,927 2.904,928 2.919,929 2.957,930 2.961,931 2.825,932 4.395,933 2.803,934 2.854,935 2.925,936 2.737,937 2.735,938 4.149,939 2.715,940 2.647,941 2.706,942 2.687,943 2.494,944 3.814,945 2.479,946 0.194,947 0.187,948 0.292,949 0.172,950 0.135,951 4.844,952 0.188,953 4.681,954 0.039,955 7.293,956 0.496,957 4.295,958 0.124,959 3.374,960 4.694,961 0.98,962 12.405,963 3.09,964 1.951,965 1.958,966 1.995,967 2.023,968 1.152,969 2.062,970 1.911,971 1.898,972 1.964,973 1.97,974 1.126,975 1.978,976 1.553,977 1.547,978 1.602,979 1.8,980 0.643,981 1.767,982 1.407,983 1.436,984 1.291,985 1.578,986 0.558,987 1.589,988 0.982,989 0.954,990 1.181,991 1.219,992 0.218,993 1.211,994 0.889,995 0.872,996 1.105,997 1.062,998 0.16,999 1.107,1000 0.886,1001 0.821,1002 0.967,1003 1.061,1004 0.123,1005 1.05,1006 0.674,1007 0.603,1008 0.947,1009 0.904,1011 0.937,1012 3.932,1013 5.273,1014 2.398,1015 6.799,1016 4.727,1017 8.403,1018 6.843,1019 10.046,1020 3.328,1024 4.164,1029 24.748,1030 66.317,1031 111.915,1032 135.69,1033 160.219,1034 162.974,1035 162.974,1036 48.172,1037 6.796,1038 88.41,1039 96.79,1040 17,1041 12.325,1042 4.322,1043 3.585,1044 37.01,1045 83,1046 72,1047 0.22,1048 161.675,1049 272.11,1050 386.246,1051 7558,1052 2.9,1053 16.449,1054 0.715,1055 0.609,1056 17.699,1057 14.018,1058 10.954,1059 0.438,1060 0.352,1061 6.596,1062 9.195,1063 6.318,1064 5.219,1065 12.353,1066 8.795,1067 10.509,1068 0.292,1069 0.202,1070 12.649,1071 7.264,1072 8.372,1073 0.186,1074 0.107,1075 9.988,1076 4.811,1077 6.423,1078 0.117,1079 0.058,1080 7.787,1081 3.199,1082 5.252,1083 0.078,1084 0.032,1085 6.586,1086 2.13,1087 0.346,1088 85.583,1089 0.248,1090 22.717,1091 0.595,1092 122,1093 443.123,1094 239.145,1095 479.488,1096 629.11,1097 438,1098 142,1099 405.079,1100 228.547,1101 454.445,1102 660.33,1103 425,1104 5.602}
{0 CHEMBL378801,1 1.815,2 10.75,3 2.338,4 5.464,5 88.682,6 8.857,7 0.615,8 3.797,9 3.885,10 3.665,11 3.37,12 4.974,13 3.351,14 4.289,15 4.402,16 3.937,17 3.716,18 5.731,19 3.697,20 4.48,21 4.624,22 3.953,23 3.796,24 5.841,25 3.743,26 4.523,27 4.694,28 3.841,29 3.675,30 5.842,31 3.634,32 4.408,33 4.606,34 3.713,35 3.481,36 5.908,37 3.456,38 4.223,39 4.405,40 3.582,41 3.389,42 5.587,43 3.35,44 4.169,45 4.346,46 3.5,47 3.324,48 5.56,49 3.295,50 3.981,51 4.142,52 3.424,53 3.296,54 5.313,55 3.236,56 0.159,57 0.607,58 8.56,59 3.725,60 16.379,61 3.692,62 0.465,63 0.91,64 13.646,65 5.833,66 52.47,67 6.215,68 0.539,69 1.064,70 19.574,71 7.698,72 45.389,73 8.114,74 0.601,75 1.049,76 21.955,77 7.433,78 76.328,79 7.498,80 0.685,81 0.906,82 20.248,83 6.186,84 102.392,85 7.171,86 0.463,87 0.783,88 16.876,89 5.528,90 47.037,91 5.906,92 0.543,93 0.707,94 14.233,95 4.828,96 65.041,97 5.098,98 0.302,99 0.622,100 13.087,101 4.862,102 25.628,103 5.089,104 18,105 37,106 0.318,107 0.619,108 0.738,109 0.848,110 0.861,111 0.861,112 3.228,113 0.983,114 -2.81,115 -2.82,116 -2.74,118 41,120 1,122 9,123 1,124 2,127 2,129 1,130 7,131 1,132 2,133 3,134 3,135 7,137 7,138 4,139 1,140 5,141 5,143 6,145 1,146 6,147 1,148 2,149 4,150 1,151 6,154 5,155 2,156 4,158 1,159 4,160 1,161 3,162 2,163 5,164 1,165 2,166 4,168 2,169 1,170 7,171 794,172 15.98,173 15.98,174 15.98,175 15.98,176 15.98,177 13.765,178 11.63,179 9.296,180 16.368,181 12.755,182 12.755,183 12.755,184 12.755,185 12.755,186 9.216,187 10.3,188 4.336,189 13.282,190 3.471,191 1.758,192 1.078,193 0.449,194 0.378,195 0.378,196 3.905,198 1,199 1,200 550,201 3.808,202 54.569,203 157.35,204 105.022,206 1.625,207 34.671,208 1,209 0.6,210 0.8,211 53.5,212 258,213 4.844,214 4.681,215 7.293,216 4.294,217 3.374,218 4.694,219 0.98,220 12.405,221 3.08,222 4.519,223 3.56,224 6.356,225 4.041,226 3.062,227 4.455,228 0.86,229 9.824,230 2.991,231 3.935,232 3.007,233 5.827,234 3.561,235 2.574,236 3.365,237 7.936,238 2.534,239 3.569,240 2.602,241 5.217,242 3.142,243 2.193,244 3.053,245 6.453,246 2.071,247 3.535,248 2.044,249 4.926,250 3.027,251 2.029,252 2.881,253 5.382,254 2.018,255 3.03,256 1.681,257 4.413,258 2.521,259 1.532,260 2.291,261 4.308,262 1.513,263 2.729,264 1.511,265 4.117,266 2.3,267 1.329,268 1.802,269 3.492,270 1.283,271 2.67,272 1.43,273 3.641,274 2.147,275 1.157,276 1.676,277 2.744,278 1.14,279 2.5,280 1.081,281 3.247,282 2,283 1,284 1.5,285 2.136,286 1,287 2.003,288 1,289 3.186,290 1.558,291 0.644,292 0.825,293 1.349,294 0.582,295 1.745,296 0.927,297 3.143,298 1.416,299 0.377,300 0.478,301 0.881,302 0.388,303 1.525,304 0.419,305 2.783,306 1.171,307 0.262,308 0.331,309 0.461,310 0.237,311 1,312 0.13,313 2.564,314 0.294,315 -0.672,316 -0.891,318 -1.631,319 -0.635,320 0.757,321 -0.321,322 2.364,323 0.231,324 -0.728,325 -1.007,327 -1.639,328 -0.678,329 0.736,330 -0.444,331 2.212,332 0.067,333 -0.905,334 -1.23,335 -2.347,336 -0.875,337 11.367,338 0.474,339 0.68,340 0.028,341 34,342 1.417,343 19,344 0.792,345 15,346 0.625,347 15.42,348 0.643,349 25.833,350 0.662,351 25.697,352 1.071,353 6.9,354 0.287,355 4.592,356 0.191,357 0.132,358 0.073,359 0.264,362 0.622,363 1.133,364 0.794,365 1.17,366 0.649,367 0.854,368 0.765,369 1.114,370 0.859,371 0.979,372 0.594,373 0.905,374 0.886,375 1.147,376 1.137,377 1.175,378 0.889,379 1.099,380 1.375,381 1.165,382 1.173,383 1.127,384 1.49,385 1.099,386 1.043,387 1.033,388 0.863,389 0.884,390 0.995,391 0.869,392 1.164,393 1.11,394 1.093,395 1.025,396 1.195,397 0.949,398 1.326,399 0.839,400 0.928,401 0.736,402 1.557,403 0.86,404 1.014,405 0.998,406 1.141,407 1.092,408 0.999,409 0.957,410 6,411 0.085,412 3.333,413 1.792,414 1.307,415 0.827,416 0.498,417 0.354,418 0.204,419 0.17,420 6539,421 21475,422 2.03,423 38.5,425 12,427 3,429 1.666,430 1.882,431 3.396,432 1.08,433 1,434 1,435 1,436 70.772,437 1.815,438 3.527,439 4.207,440 4.836,441 4.907,442 4.907,443 2.892,444 4.137,445 4.558,446 3.53,447 974.22,448 7.847,449 11590.4,450 1,452 1,453 206.131,454 1.601,455 4.498,456 0.231,457 0.006,458 0.09,459 0.05,460 0.044,461 0.031,462 0.021,463 0.016,464 0.01,465 0.009,466 0.507,467 0.33,468 0.813,469 115.067,470 0.04,471 0.056,472 0.199,473 -0.043,474 -0.148,475 0.057,476 0.141,477 -0.031,478 0.02,479 0.007,480 0.176,481 -0.009,482 0.046,483 -0.099,484 -0.119,485 -0.134,486 0.029,487 -0.157,488 -0.25,489 -0.167,490 -0.153,491 -0.154,492 -0.24,493 -0.169,494 0.089,495 -0.075,496 0.119,497 0.019,498 0.215,499 0.084,500 -0.092,501 -0.097,502 -0.033,503 -0.037,504 -0.039,505 -0.001,506 -0.115,507 0.132,508 -0.014,509 0.145,510 -0.178,511 0.053,512 -0.075,513 0.013,514 -0.046,515 -0.004,516 -0.003,517 0.033,518 4.737,519 5.146,520 0.625,521 19.583,522 1.025,523 1.122,524 1.584,525 2.509,526 0.694,527 3.296,528 3.638,529 3.871,530 4.06,531 4.263,532 4.277,533 4.317,534 4.369,535 4.317,536 4.248,537 6.225,538 0.674,539 345.41,540 3.296,541 4.844,542 5.687,543 6.567,544 7.431,545 8.313,546 9.184,547 10.067,548 10.942,549 11.826,550 7.7,551 1,552 1,553 1,556 2,557 9,559 1,561 3,562 16,564 1,566 39,567 19,568 2,569 26,571 41,572 16,573 14,574 4,575 8,576 1,577 3,578 4,583 15,584 1,585 3,586 1,587 3,588 1,589 1,590 1,593 15,594 6,595 3,596 8,597 1,599 3,600 0.667,601 4,603 1,604 1,605 2,606 1,608 2,609 1,611 1,614 24,615 1,616 2,617 1,623 10.3,624 3,625 1,626 12.75,627 7.083,628 5.264,629 1.986,630 2.885,631 1.418,632 1.009,633 4.576,634 9.789,635 3.638,636 4.301,637 4.853,638 5.405,639 5.937,640 6.191,641 6.504,642 6.778,643 6.722,644 6.729,645 1,646 36,647 9.104,649 4.172,650 8.122,651 16.329,653 13.295,655 2.622,656 62.917,659 141.253,660 120.949,661 50.956,663 80.458,665 5.807,666 115.142,667 221.711,668 50.956,669 10.883,670 17.888,671 107.376,672 74.163,673 37.153,674 4.901,675 141.253,677 141.253,678 166.098,679 80.458,680 5.807,682 141.253,683 80.458,684 50.956,685 115.142,686 5.807,688 141.253,689 131.414,690 120.949,691 5.807,692 141.253,693 18.973,694 96.169,695 50.956,696 80.458,697 141.253,698 131.414,699 120.949,700 0.588,701 0.342,702 0.168,703 0.094,704 18,705 8,706 0.122,707 5,708 1,709 1.133,710 3.616,711 189.514,712 0.133,713 15,714 104.039,715 1,716 16.518,717 6.649,718 3.617,719 1.525,720 114.628,721 14.7,723 2.92,725 0.957,726 50.956,727 393.617,728 37,729 -3.82,730 36.288,731 -0.593,732 39.993,733 43.744,734 0.343,735 0.667,736 0.796,737 0.915,738 0.928,739 0.928,740 4.868,741 1.157,742 5.714,743 3.492,744 4.317,745 4.987,746 1.481,747 6.564,748 4.241,749 6.127,750 1,751 7.311,752 2.744,753 4.111,754 5.112,756 7.796,757 3.949,758 7.49,759 0.644,760 9.024,761 2.136,762 6.009,763 7.367,764 1.37,765 10.797,766 5.827,767 8.899,768 0.377,769 10.809,770 1.349,771 6.621,772 8.309,774 12.852,775 6.331,776 10.344,777 0.262,778 12.641,779 0.881,780 8.045,781 10.095,782 1.275,783 15.47,784 7.728,785 11.814,786 -0.672,787 14.506,788 0.461,789 8.995,790 11.375,792 17.814,793 8.568,794 13.304,795 -0.728,796 16.395,797 -1.631,798 10.258,799 12.998,800 1.193,801 20.339,802 9.787,803 3.374,804 -0.905,805 18.302,806 -1.639,807 11.35,808 14.421,810 22.786,811 10.776,812 3.062,813 12.405,814 20.224,815 -2.347,816 12.56,817 15.985,818 1.123,819 25.292,820 11.926,821 2.574,822 9.824,823 22.156,824 4.694,825 13.711,826 17.468,828 27.777,829 12.981,830 2.193,831 7.936,832 24.098,833 4.455,834 14.907,835 19.01,836 1.062,837 30.283,838 14.104,839 2.029,840 6.453,841 26.047,842 3.365,843 16.084,844 20.519,846 32.785,847 15.189,848 1.532,849 5.382,850 28.002,851 3.053,852 17.278,853 22.054,854 1.01,855 35.294,856 16.303,857 1.329,858 4.308,859 29.962,860 2.881,861 18.467,862 23.575,864 37.803,865 17.402,866 6371,867 11712,868 16.989,869 27.051,870 39.056,871 40.989,872 40.117,873 39.097,874 39.069,875 54.702,876 3.68,877 114.742,878 37.671,879 5.748,880 6.681,881 7.095,882 5.343,883 5.374,884 7.694,885 1.96,886 19.573,887 5.08,888 12.134,889 1.502,890 1.577,891 1.543,892 1.504,893 1.503,894 2.104,895 0.142,896 4.413,897 1.449,898 4.136,899 4.162,900 4.734,901 4.064,902 7.717,903 4.047,904 4.048,905 4.03,906 4.087,907 4.016,908 7.429,909 3.951,910 3.653,911 3.675,912 3.676,913 3.544,914 6.999,915 3.486,916 3.528,917 3.537,918 3.505,919 3.371,920 4.987,921 3.379,922 3.248,923 3.292,924 3.161,925 2.957,926 4.716,927 2.984,928 3.04,929 3.109,930 2.885,931 2.842,932 4.606,933 2.849,934 2.909,935 2.985,936 2.746,937 2.735,938 4.174,939 2.715,940 2.854,941 2.925,942 2.687,943 2.709,944 3.984,945 2.707,946 0.186,947 0.18,948 0.28,949 0.165,950 0.13,951 4.844,952 0.181,953 4.681,954 0.038,955 7.293,956 0.477,957 4.294,958 0.118,959 3.374,960 4.694,961 0.98,962 12.405,963 3.08,964 1.951,965 1.958,966 2.005,967 2.026,968 1.152,969 2.062,970 1.921,971 1.903,972 1.995,973 2.014,974 1.136,975 2.012,976 1.604,977 1.573,978 1.682,979 1.83,980 0.734,981 1.8,982 1.431,983 1.452,984 1.574,985 1.616,986 0.583,987 1.637,988 1.218,989 1.157,990 1.299,991 1.523,992 0.579,993 1.538,994 0.969,995 0.922,996 1.181,997 1.243,998 0.241,999 1.224,1000 0.89,1001 0.821,1002 1.155,1003 1.121,1004 0.218,1005 1.142,1006 0.886,1007 0.814,1008 1.079,1009 1.062,1010 0.129,1011 1.107,1012 3.97,1013 5.303,1014 2.398,1015 6.828,1016 4.727,1017 8.431,1018 6.843,1019 10.074,1021 1.555,1024 4.256,1025 5.127,1029 26.271,1030 70.772,1031 137.562,1032 164.092,1033 188.621,1034 191.376,1035 191.376,1036 50.139,1037 6.904,1038 100.29,1039 108.67,1040 17,1041 12.361,1042 4.322,1043 3.585,1044 39.457,1045 90,1046 88,1047 0.215,1048 166.147,1049 281.13,1050 397.159,1051 8673,1053 17.156,1054 0.715,1055 0.565,1056 17.406,1057 13.554,1058 11.492,1059 0.442,1060 0.328,1061 7.032,1062 10.204,1063 6.751,1064 5.633,1065 12.313,1066 8.517,1067 10.678,1068 0.289,1069 0.181,1070 12.002,1071 6.691,1072 8.796,1073 0.187,1074 0.1,1075 9.887,1076 4.689,1077 6.656,1078 0.117,1079 0.054,1080 7.551,1081 3.06,1082 5.436,1083 0.078,1084 0.029,1085 6.268,1086 2.013,1087 0.34,1088 81.147,1089 0.243,1090 23.619,1091 0.58,1092 126,1093 442.801,1094 177.999,1095 442.667,1096 590.75,1097 406,1098 147,1099 400.872,1100 205.539,1101 441.639,1102 637.86,1103 411,1104 4.246}
{0 CHEMBL379025,1 1.852,2 10.963,3 3.937,4 15.499,5 101.228,6 10.021,7 0.7,8 3.839,9 3.901,10 3.795,11 3.51,12 5.036,13 3.486,14 4.33,15 4.404,16 4.127,17 3.887,18 5.798,19 3.864,20 4.573,21 4.694,22 4.27,23 3.996,24 5.927,25 3.94,26 4.59,27 4.713,28 4.183,29 3.862,30 6.051,31 3.834,32 4.422,33 4.572,34 3.872,35 3.662,36 5.967,37 3.631,38 4.302,39 4.464,40 3.767,41 3.591,42 5.675,43 3.536,44 4.232,45 4.381,46 3.757,47 3.485,48 5.703,49 3.455,50 4.082,51 4.208,52 3.705,53 3.445,54 5.465,55 3.405,56 0.161,57 0.56,58 5.918,59 3.64,60 19.528,61 3.182,62 0.414,63 0.867,64 8.823,65 5.76,66 48.786,67 5.532,68 0.578,69 1.075,70 22.016,71 8.82,72 58.684,73 8.333,74 0.814,75 1.068,76 23.289,77 8.581,78 102.013,79 6.882,80 0.707,81 0.944,82 18.145,83 6.845,84 111.034,85 6.203,86 0.501,87 0.853,88 16.933,89 6.674,90 48.772,91 6.711,92 0.543,93 0.754,94 15,95 6.07,96 70.111,97 5.529,98 0.397,99 0.649,100 10.661,101 5.019,102 55.067,103 4.162,104 17,105 44,106 0.318,107 0.553,108 0.682,109 0.854,110 0.906,111 0.906,112 3.34,113 0.98,114 -4.37,115 -4.3,116 -4.06,118 47.5,122 11,123 3,124 2,127 2,129 1,130 12,131 1,132 5,133 3,134 1,135 13,137 8,138 3,140 4,141 12,143 10,146 8,147 8,148 2,149 5,151 7,152 7,153 1,154 6,155 1,156 3,157 4,159 9,160 1,161 3,162 5,163 4,165 3,166 9,167 2,168 2,169 1,170 9,171 1045,172 18.024,173 18.024,174 18.024,175 18.024,176 18.024,177 15.203,178 8.006,179 10.404,180 18.286,181 14.787,182 14.787,183 14.787,184 14.787,185 14.787,186 10.423,187 5.961,188 4.906,189 15.265,190 3.47,191 2.103,192 1.351,193 0.35,194 0.05,195 0.05,196 4.034,197 1,199 1,200 651,201 3.808,202 48.102,203 220.789,204 187.826,206 1.602,207 40.074,209 0.4,210 0.77,211 59.333,212 296,213 4.878,214 4.711,215 7.388,216 4.335,217 3.422,218 4.809,219 0.98,220 12.794,221 3.222,222 4.713,223 3.555,224 6.766,225 4.22,226 3.22,227 4.735,229 11.138,230 3.091,231 4.101,232 3.186,233 6.021,234 3.736,235 2.728,236 3.667,237 8.57,238 2.74,239 3.833,240 2.823,241 5.572,242 3.298,243 2.366,244 3.387,245 7.049,246 2.212,247 3.671,248 2.317,249 5.528,250 3.193,251 2.194,252 3.153,253 6.918,254 2.148,255 3.263,256 1.846,257 4.882,258 2.765,259 1.764,260 2.639,261 5.325,262 1.764,263 2.945,264 1.723,265 4.281,266 2.477,267 1.479,268 2.132,269 3.821,270 1.471,271 2.864,272 1.664,273 4.073,274 2.363,275 1.414,276 2.023,277 3.209,278 1.356,279 2.822,280 1.43,281 3.791,282 2.348,283 1.361,284 1.906,285 3.062,286 1.269,287 2.663,288 1.388,289 3.606,290 2.152,291 1.161,292 1.716,293 2.853,294 1.137,295 2.5,296 1,297 3.589,298 2,299 1,300 1.5,301 2.538,302 1,303 1.88,304 0.937,305 3.244,306 1.517,307 0.504,308 0.65,309 1.195,310 0.507,311 1.734,312 0.506,313 3.039,314 1.307,315 0.286,316 0.403,318 0.695,319 0.29,320 1.097,321 0.401,322 2.682,323 0.565,324 -0.233,325 -0.291,327 -0.515,328 -0.15,329 1,330 -0.133,331 2.463,332 0.442,333 -0.571,334 -0.821,335 -1.447,336 -0.575,337 13.181,338 0.488,339 0.804,340 0.03,341 39.25,342 1.454,343 22.5,344 0.833,345 16.75,346 0.62,347 18.713,348 0.693,349 27.619,350 0.69,351 30.161,352 1.117,353 7.759,354 0.287,355 5.196,356 0.192,357 0.13,358 0.063,359 0.303,362 0.555,363 0.951,364 0.654,365 1.007,366 0.632,367 0.74,368 0.624,369 1.049,370 0.737,371 0.962,372 0.569,373 0.907,374 0.956,375 1.095,376 0.912,377 1.015,378 0.896,379 0.972,380 1.383,381 1.157,382 1.219,383 1.164,384 1.362,385 1.09,386 1.157,387 1.064,388 1.029,389 0.965,390 1.165,391 1.019,392 0.901,393 1.094,394 0.961,395 1.048,396 0.987,397 1.004,398 1.256,399 0.977,400 0.865,401 0.901,402 1.477,403 0.89,404 1.391,405 0.967,406 0.913,407 0.869,408 1.569,409 0.893,410 6,411 0.177,412 4.222,413 2.701,414 1.226,415 0.986,416 0.62,417 0.317,418 0.281,419 0.248,420 9280,421 31937,422 2.088,423 32.5,425 11,427 2,429 1.698,430 1.94,431 3.411,432 0.304,434 1,436 74.061,437 1.852,438 3.219,439 3.971,440 4.972,441 5.272,442 5.272,443 2.863,444 4.459,445 4.732,446 3.575,447 1254.77,448 8.196,449 16122.3,452 1,453 212.877,454 1.596,455 4.673,456 0.2,457 0.008,458 0.096,459 0.06,460 0.031,461 0.031,462 0.021,463 0.012,464 0.011,465 0.01,466 0.481,467 0.17,468 0.584,469 134.071,470 0.059,471 0.118,472 0.12,473 -0.038,474 -0.138,475 0.061,476 0.178,477 -0.03,478 -0.022,479 -0.079,480 0.167,481 -0.103,482 -0.006,483 -0.104,484 0.063,485 -0.008,486 -0.007,487 -0.026,488 -0.157,489 -0.154,490 -0.133,491 -0.17,492 -0.117,493 -0.164,494 -0.04,495 -0.017,496 -0.122,497 -0.042,498 0.093,499 -0.08,500 0.044,501 -0.065,502 -0.016,503 -0.052,504 0.027,505 0.005,506 -0.085,507 0.011,508 0.067,509 0.078,510 -0.082,511 0.095,512 -0.271,513 0.029,514 0.009,515 0.108,516 -0.271,517 0.037,518 4.909,519 5.408,520 0.704,521 22.159,522 1.03,523 1.105,524 3.14,525 9.859,526 0.748,527 3.434,528 3.807,529 4.094,530 4.357,531 4.564,532 4.615,533 4.754,534 4.868,535 4.844,536 4.913,537 6.504,538 0.727,539 400.86,540 3.434,541 5.004,542 5.872,543 6.774,544 7.66,545 8.565,546 9.456,547 10.363,548 11.258,549 12.166,550 5,551 1,552 1,556 4,557 11,560 1,561 3,562 21,565 1,566 40,567 24,568 3,569 30,571 43,572 19,573 18,574 7,575 11,576 1,577 4,578 7,579 1,583 19,585 3,586 1,587 3,588 1,590 1,592 1,593 13,594 6,595 2,596 8,597 2,599 2,600 0.5,601 4,604 1,605 3,606 2,608 2,609 1,612 1,614 27,615 1,616 2,622 1,623 10,624 3,625 1,626 13.917,627 7.143,628 5.764,629 2.182,630 4.098,631 1.538,632 1.046,633 4.557,634 11.714,635 3.795,636 4.508,637 5.139,638 5.784,639 6.376,640 6.751,641 7.243,642 7.691,643 7.883,644 8.197,645 1,646 45,647 10.277,649 4.855,650 8.087,651 18.446,653 15.534,655 2.587,656 69.861,658 1,659 129.482,660 137.806,661 34.171,662 39.149,663 78.965,665 5.807,666 131.999,667 247.596,668 34.171,670 17.888,671 126.329,672 74.163,673 22.89,674 9.672,675 129.482,676 39.149,677 129.482,678 166.169,679 78.965,680 44.956,682 129.482,683 78.965,684 34.171,685 131.999,686 44.956,688 129.482,689 113.136,690 176.955,691 5.807,692 129.482,693 27.76,694 104.239,695 34.171,696 118.114,697 129.482,698 113.136,699 176.955,700 0.596,701 0.354,702 0.188,703 0.099,704 23,705 10,706 0.093,707 4,708 2,709 1.211,710 3.861,711 235.857,712 0.211,713 19,714 126.382,715 1,716 17.86,717 6.889,718 3.392,719 3,720 113.136,721 18.317,724 5.715,725 0.227,726 34.171,727 419.573,728 43.5,729 -3.993,730 37.026,731 -0.599,732 41.215,733 44.189,734 0.348,735 0.605,736 0.746,737 0.934,738 0.991,739 0.991,740 5.039,741 1.414,742 5.905,743 3.821,744 4.489,745 5.196,746 1.072,747 6.792,748 4.428,749 6.313,750 1.361,751 7.521,752 3.209,753 4.29,754 5.33,756 8.032,757 4.138,758 7.685,759 1.161,760 9.252,761 3.062,762 6.201,763 7.622,764 1.045,765 11.098,766 6.062,767 9.103,768 1,769 11.052,770 2.853,771 6.825,772 8.579,774 13.162,775 6.587,776 10.556,777 0.504,778 12.898,779 2.538,780 8.262,781 10.398,782 1.019,783 15.827,784 8.022,785 12.036,786 0.286,787 14.774,788 1.195,789 9.231,790 11.704,792 18.185,793 8.899,794 13.535,795 -0.233,796 16.674,797 0.695,798 10.507,799 13.356,800 0.993,801 20.743,802 10.152,803 3.422,804 -0.571,805 18.59,806 -0.515,807 11.616,808 14.81,810 23.207,811 11.182,812 3.22,813 12.794,814 20.52,815 -1.447,816 12.84,817 16.402,818 0.967,819 25.739,820 12.365,821 2.728,822 11.138,823 22.461,824 4.809,825 14.006,826 17.919,828 28.243,829 13.462,830 2.366,831 8.57,832 24.409,833 4.735,834 15.216,835 19.49,836 0.942,837 30.772,838 14.62,839 2.194,840 7.049,841 26.365,842 3.667,843 16.407,844 21.033,846 33.293,847 15.747,848 1.764,849 6.918,850 28.327,851 3.387,852 17.614,853 22.598,854 0.917,855 35.825,856 16.898,857 1.479,858 5.325,859 30.293,860 3.153,861 18.817,862 24.153,864 38.355,865 18.038,866 8736,867 16392,868 19.879,869 29.903,870 46.037,871 48.155,872 47.296,873 46.117,874 45.8,875 65.438,876 1.96,877 138.336,878 44.413,879 5.782,880 6.711,881 7.071,882 5.386,883 5.422,884 7.809,885 1.96,886 20.416,887 5.222,888 12.927,889 1.535,890 1.605,891 1.577,892 1.537,893 1.527,894 2.181,895 0.065,896 4.611,897 1.48,898 4.2,899 4.201,900 4.741,901 4.123,902 7.717,903 4.13,904 4.061,905 4.035,906 4.169,907 4.051,908 7.429,909 3.965,910 3.738,911 3.766,912 3.875,913 3.658,914 6.999,915 3.656,916 3.625,917 3.63,918 3.671,919 3.544,920 5.184,921 3.47,922 3.342,923 3.343,924 3.317,925 3.142,926 4.908,927 3.171,928 2.994,929 3.042,930 3.284,931 2.888,932 4.518,933 2.88,934 2.977,935 3.016,936 2.908,937 2.8,938 4.338,939 2.789,940 2.879,941 2.922,942 2.872,943 2.769,944 4.278,945 2.769,946 0.163,947 0.157,948 0.246,949 0.144,950 0.114,951 4.878,952 0.16,953 4.711,954 0.033,955 7.388,956 0.426,957 4.335,958 0.107,959 3.422,960 4.809,961 0.98,962 12.794,963 3.222,964 1.997,965 1.984,966 2.07,967 2.055,968 1.231,969 2.067,970 1.945,971 1.956,972 1.957,973 2.004,974 1.152,975 2.037,976 1.83,977 1.817,978 1.929,979 1.955,980 0.993,981 1.944,982 1.473,983 1.49,984 1.396,985 1.699,986 0.6,987 1.703,988 1.195,989 1.199,990 1.231,991 1.418,992 0.348,993 1.392,994 1.031,995 0.995,996 1.185,997 1.187,998 0.277,999 1.19,1000 0.902,1001 0.856,1002 1.128,1003 1.124,1004 0.173,1005 1.139,1006 0.868,1007 0.824,1008 1.032,1009 1.019,1010 0.153,1011 1.062,1012 4.111,1013 5.468,1014 2.398,1015 7.024,1016 4.844,1017 8.665,1018 7.05,1019 10.35,1022 5.907,1024 4.262,1029 29.077,1030 74.061,1031 128.77,1032 158.823,1033 198.877,1034 210.877,1035 210.877,1036 56.221,1037 7.615,1038 88.41,1039 96.79,1040 23,1041 12.685,1042 4.644,1043 3.858,1044 40.37,1045 107,1046 89,1047 0.184,1048 183.215,1049 308.7,1050 438.804,1051 21976,1052 2.5,1053 19.018,1054 0.704,1055 0.568,1056 19.768,1057 15.342,1058 12.954,1059 0.432,1060 0.327,1061 7.994,1062 11.504,1063 7.703,1064 6.351,1065 14.064,1066 9.797,1067 12.314,1068 0.28,1069 0.179,1070 13.989,1071 7.857,1072 10.376,1073 0.176,1074 0.098,1075 11.874,1076 5.811,1077 8.615,1078 0.112,1079 0.054,1080 10.205,1081 4.131,1082 6.912,1083 0.073,1084 0.027,1085 7.935,1086 2.579,1087 0.291,1088 92.387,1089 0.224,1090 25.942,1091 0.5,1092 148,1093 500.672,1094 214.793,1095 531.609,1096 709.15,1097 488,1098 177,1099 474.208,1100 251.758,1101 523.124,1102 767.66,1103 491,1104 4.889}
{0 CHEMBL380652,1 1.695,2 11.593,3 3.759,4 14.128,5 101.465,6 8.848,7 0.7,8 3.893,9 3.969,10 3.756,11 3.537,12 5.051,13 3.507,14 4.393,15 4.494,16 4.066,17 3.91,18 5.8,19 3.881,20 4.619,21 4.752,22 4.101,23 4.006,24 5.941,25 3.951,26 4.678,27 4.845,28 3.968,29 3.891,30 5.949,31 3.835,32 4.505,33 4.693,34 3.849,35 3.708,36 5.949,37 3.657,38 4.337,39 4.495,40 3.792,41 3.635,42 5.717,43 3.579,44 4.369,45 4.532,46 3.643,47 3.519,48 5.788,49 3.488,50 4.169,51 4.33,52 3.59,53 3.454,54 5.464,55 3.408,56 0.133,57 0.612,58 8.834,59 4.177,60 16.264,61 4.141,62 0.372,63 0.958,64 13.849,65 6.71,66 49.945,67 7.255,68 0.436,69 1.176,70 21.135,71 9.221,72 44.078,73 9.586,74 0.572,75 1.228,76 25.08,77 9.392,78 80.129,79 9.268,80 0.599,81 1.052,82 20.094,83 7.483,84 108.493,85 8.103,86 0.365,87 0.919,88 20.254,89 7.393,90 33.034,91 7.61,92 0.557,93 0.878,94 18.284,95 6.457,96 84.09,97 5.846,98 0.353,99 0.746,100 14.162,101 5.355,102 50.345,103 5.135,104 17,105 44,106 0.288,107 0.57,108 0.696,109 0.839,110 0.862,111 0.862,112 3.34,113 0.972,114 -4.1,115 -4.05,116 -3.83,118 46.5,119 1,122 11,123 4,124 1,127 2,129 1,130 14,131 1,132 5,133 3,134 1,135 16,137 10,138 3,140 5,141 13,143 8,146 8,147 7,148 2,149 5,151 6,152 7,153 1,154 9,155 1,156 4,157 5,159 8,160 1,161 4,162 6,163 4,165 3,166 9,167 2,168 3,169 1,170 9,171 1071,172 17.971,173 17.971,174 17.971,175 17.971,176 17.971,177 15.179,178 9.742,179 10.32,180 18.128,181 14.782,182 14.782,183 14.782,184 14.782,185 14.782,186 10.436,187 7.119,188 4.888,189 15.024,190 3.731,191 2.067,192 1.321,193 0.483,194 0.343,195 0.343,196 4.034,198 1,199 1,200 690,201 3.808,202 48.864,203 222.849,204 190.798,206 1.682,207 36.408,209 0.4,210 0.77,211 59,212 313,213 4.845,214 4.682,215 7.293,216 4.297,217 3.377,218 4.809,219 0.98,220 12.407,221 3.222,222 4.713,223 3.554,224 6.766,225 4.22,226 3.22,227 4.697,229 11.138,230 3.078,231 4.1,232 3.186,233 6.02,234 3.734,235 2.726,236 3.667,237 8.566,238 2.739,239 3.835,240 2.561,241 5.534,242 3.398,243 2.399,244 3.394,245 6.944,246 2.398,247 3.673,248 2.317,249 5.148,250 3.2,251 2.198,252 3.154,253 6.319,254 2.2,255 3.263,256 1.849,257 4.883,258 2.766,259 1.766,260 2.639,261 5.327,262 1.765,263 3.083,264 1.778,265 4.736,266 2.641,267 1.65,268 2.292,269 4.779,270 1.63,271 2.941,272 1.721,273 4.178,274 2.448,275 1.445,276 2.129,277 3.71,278 1.446,279 2.816,280 1.388,281 3.792,282 2.337,283 1.336,284 1.891,285 3.062,286 1.334,287 2.5,288 1.025,289 3.59,290 2,291 1,292 1.5,293 2.539,294 1,295 2.5,296 1,297 3.414,298 2,299 1,300 1.5,301 2.275,302 1,303 1.88,304 1,305 3.287,306 1.521,307 0.507,308 0.651,309 1.203,310 0.512,311 1.734,312 0.439,313 3.042,314 1.308,315 0.286,316 0.403,318 0.697,319 0.291,320 1.119,321 0.381,322 2.69,323 0.755,324 -0.225,325 -0.284,327 -0.494,328 -0.218,329 1,330 -0.268,331 2.464,332 0.442,333 -0.571,334 -0.821,335 -1.447,336 -0.575,337 12.967,338 0.48,339 0.821,340 0.03,341 39,342 1.444,343 22.5,344 0.833,345 16.5,346 0.611,347 18.521,348 0.686,349 27.833,350 0.647,351 29.94,352 1.109,353 7.711,354 0.286,355 5.227,356 0.194,357 0.116,358 0.064,359 0.308,362 0.546,363 0.976,364 0.768,365 1.082,366 0.633,367 0.812,368 0.594,369 1.005,370 0.798,371 0.978,372 0.545,373 0.893,374 0.936,375 1.156,376 1.093,377 1.158,378 0.853,379 1.071,380 1.435,381 1.131,382 1.157,383 1.06,384 1.397,385 1.057,386 1.11,387 0.964,388 0.863,389 0.793,390 1.114,391 0.857,392 0.872,393 1.279,394 1.323,395 1.361,396 0.904,397 1.041,398 1.874,399 0.938,400 1.185,401 0.84,402 2.152,403 0.917,404 1.45,405 0.907,406 1.028,407 0.872,408 1.561,409 0.899,410 6.5,411 0.16,412 4.222,413 2.201,414 1.208,415 1.153,416 0.62,417 0.279,418 0.297,419 0.278,420 9464,421 28139,422 2.088,423 37.2,424 3,425 11,427 2,429 1.697,430 1.94,431 3.483,432 0.267,434 1,436 72.891,437 1.695,438 3.36,439 4.105,440 4.944,441 5.083,442 5.083,443 2.922,444 4.18,445 4.729,446 3.63,447 1274.01,448 8.189,449 16436.3,452 1,453 233.329,454 1.596,455 4.673,456 0.217,457 0.008,458 0.096,459 0.05,460 0.034,461 0.036,462 0.02,463 0.011,464 0.012,465 0.012,466 0.494,467 0.33,468 0.584,469 134.574,470 0.086,471 0.106,472 0.198,473 -0.027,474 -0.141,475 0.061,476 0.24,477 0.022,478 0.052,479 -0.029,480 0.199,481 -0.016,482 0.021,483 -0.157,484 -0.099,485 -0.147,486 0.031,487 -0.136,488 -0.245,489 -0.137,490 -0.135,491 -0.085,492 -0.198,493 -0.108,494 0.033,495 0.059,496 0.107,497 0.13,498 0.14,499 0.099,500 0.124,501 -0.22,502 -0.07,503 -0.225,504 0.151,505 -0.057,506 -0.361,507 0.066,508 -0.169,509 0.1,510 -0.338,511 -0.01,512 -0.263,513 0.124,514 -0.025,515 0.091,516 -0.263,517 0.025,518 4.764,519 5.41,520 0.704,521 23.086,522 1.018,523 1.108,524 2.872,525 8.248,526 0.716,527 3.434,528 3.807,529 4.078,530 4.317,531 4.575,532 4.663,533 4.745,534 4.844,535 4.852,536 4.913,537 6.663,538 0.692,539 380.45,540 3.434,541 5.004,542 5.866,543 6.763,544 7.645,545 8.545,546 9.435,547 10.336,548 11.229,549 12.133,550 4.7,551 1,552 1,556 4,557 11,560 1,561 3,562 21,566 43,567 24,568 3,569 30,571 46,572 20,573 18,574 7,575 11,576 1,577 4,578 7,580 1,583 19,584 1,585 3,586 1,587 3,588 1,590 1,592 1,593 16,594 6,595 2,596 7,597 1,599 2,600 0.5,601 4,604 1,605 3,606 2,608 2,609 1,611 1,614 27,615 1,616 2,623 9.3,624 3,625 1,626 13.917,627 8,628 5.736,629 2.389,630 4.062,631 1.533,632 1.042,633 4.381,634 11.677,635 3.795,636 4.508,637 5.13,638 5.761,639 6.385,640 6.788,641 7.24,642 7.675,643 7.885,644 8.196,645 0.875,646 44,647 10.254,649 4.772,650 8.009,651 18.66,653 15.695,655 2.509,656 67.75,658 1,659 164.795,660 146.316,661 34.171,663 78.965,665 5.807,666 140.509,667 243.761,668 34.171,669 8.825,670 17.888,671 126.329,672 74.163,673 22.575,674 9.672,675 164.795,677 164.795,678 174.68,679 78.965,680 5.807,682 164.795,683 78.965,684 42.996,685 131.684,686 5.807,688 164.795,689 113.136,690 146.316,691 5.807,692 164.795,693 27.445,694 113.064,695 34.171,696 78.965,697 164.795,698 113.136,699 146.316,700 0.598,701 0.347,702 0.175,703 0.1,704 23,705 10,706 0.087,707 4,708 2,709 1.211,710 3.892,711 234.003,712 0.211,713 19,714 122.382,715 1,716 17.588,717 6.726,718 3.416,719 3.07,720 113.136,721 18.81,724 5.726,725 1.337,726 34.171,727 424.248,728 43.5,729 -3.847,730 36.978,731 -0.558,732 43.774,733 47.661,734 0.312,735 0.619,736 0.757,737 0.911,738 0.937,739 0.937,740 5.039,741 1.445,742 5.9,743 4.779,744 4.489,745 5.196,746 1.072,747 6.772,748 4.456,749 6.313,750 1.336,751 7.508,752 3.71,753 4.29,754 5.33,756 7.991,757 4.194,758 7.684,759 1,760 9.229,761 3.062,762 6.192,763 7.618,764 1.045,765 11.028,766 6.097,767 9.098,768 1,769 11.018,770 2.539,771 6.804,772 8.567,774 13.069,775 6.626,776 10.547,777 0.507,778 12.852,779 2.275,780 8.236,781 10.384,782 1.019,783 15.706,784 8.05,785 12.021,786 0.286,787 14.717,788 1.203,789 9.187,790 11.681,792 18.039,793 8.922,794 13.516,795 -0.225,796 16.605,797 0.697,798 10.457,799 13.332,800 0.993,801 20.568,802 10.167,803 3.377,804 -0.571,805 18.511,806 -0.494,807 11.551,808 14.779,810 23.003,811 11.191,812 3.22,813 12.407,814 20.43,815 -1.447,816 12.766,817 16.369,818 0.967,819 25.504,820 12.369,821 2.726,822 11.138,823 22.359,824 4.809,825 13.919,826 17.881,828 27.978,829 13.461,830 2.399,831 8.566,832 24.297,833 4.697,834 15.118,835 19.45,836 0.942,837 30.474,838 14.616,839 2.198,840 6.944,841 26.241,842 3.667,843 16.297,844 20.989,846 32.963,847 15.738,848 1.766,849 6.319,850 28.191,851 3.394,852 17.493,853 22.551,854 0.917,855 35.461,856 16.887,857 1.65,858 5.327,859 30.145,860 3.154,861 18.683,862 24.102,864 37.958,865 18.024,866 8907,867 15541,868 19.879,869 30.807,870 46.067,871 47.761,872 47.1,873 45.917,874 45.819,875 65.452,876 1.96,877 137.93,878 45.233,879 5.747,880 6.682,881 6.974,882 5.341,883 5.377,884 7.809,885 1.96,886 19.581,887 5.222,888 13.16,889 1.536,890 1.592,891 1.57,892 1.531,893 1.527,894 2.182,895 0.065,896 4.598,897 1.508,898 4.2,899 4.202,900 4.734,901 4.123,902 7.717,903 4.13,904 4.065,905 4.046,906 4.169,907 4.05,908 7.429,909 3.969,910 3.745,911 3.772,912 3.73,913 3.66,914 6.999,915 3.657,916 3.662,917 3.665,918 3.669,919 3.591,920 5.183,921 3.518,922 3.35,923 3.364,924 3.317,925 3.146,926 4.705,927 3.177,928 3.062,929 3.14,930 2.916,931 2.894,932 4.518,933 2.884,934 2.983,935 3.033,936 2.872,937 2.868,938 4.278,939 2.848,940 2.967,941 3,942 2.842,943 2.76,944 4.117,945 2.766,946 0.162,947 0.156,948 0.243,949 0.143,950 0.113,951 4.845,952 0.16,953 4.682,954 0.033,955 7.293,956 0.414,957 4.297,958 0.107,959 3.377,960 4.809,961 0.98,962 12.407,963 3.222,964 1.998,965 1.985,966 2.07,967 2.059,968 1.231,969 2.08,970 1.967,971 1.967,972 2.025,973 2.027,974 1.194,975 2.049,976 1.831,977 1.817,978 1.929,979 1.958,980 0.993,981 1.946,982 1.525,983 1.542,984 1.536,985 1.731,986 0.762,987 1.749,988 1.223,989 1.21,990 1.378,991 1.468,992 0.415,993 1.455,994 1.036,995 0.996,996 1.231,997 1.285,998 0.337,999 1.304,1000 1.031,1001 0.971,1002 1.181,1003 1.176,1004 0.262,1005 1.187,1006 0.886,1007 0.845,1008 1.167,1009 1.115,1010 0.218,1011 1.127,1012 4.111,1013 5.468,1014 2.398,1015 7.018,1016 4.844,1017 8.65,1018 7.05,1019 10.323,1021 1.862,1024 4.371,1029 29.777,1030 72.891,1031 144.467,1032 176.521,1033 212.574,1034 218.574,1035 218.574,1036 53.627,1037 7.615,1038 88.41,1039 96.79,1040 23,1041 12.655,1042 4.644,1043 3.858,1044 40.413,1045 109,1046 110,1047 0.18,1048 184.474,1049 310.79,1050 441.877,1051 21976,1053 19.018,1054 0.704,1055 0.563,1056 19.268,1057 15.209,1058 12.937,1059 0.431,1060 0.324,1061 8.27,1062 11.75,1063 7.939,1064 6.598,1065 13.759,1066 9.724,1067 12.402,1068 0.282,1069 0.179,1070 13.726,1071 7.864,1072 10.382,1073 0.179,1074 0.095,1075 11.473,1076 5.533,1077 8.199,1078 0.111,1079 0.05,1080 9.075,1081 3.669,1082 6.929,1083 0.072,1084 0.028,1085 7.78,1086 2.658,1087 0.286,1088 89.111,1089 0.224,1090 26.058,1091 0.485,1092 148,1093 474.468,1094 199.274,1095 478.429,1096 649.69,1097 440,1098 176,1099 456.345,1100 234.117,1101 497.281,1102 726.31,1103 466,1104 4.292}
{0 CHEMBL382166,1 1.803,2 10.75,3 2.348,4 5.512,5 86.436,6 9.116,7 0.615,8 3.78,9 3.849,10 3.671,11 3.35,12 4.98,13 3.341,14 4.273,15 4.368,16 3.947,17 3.68,18 5.744,19 3.679,20 4.448,21 4.57,22 3.961,23 3.746,24 5.864,25 3.713,26 4.465,27 4.609,28 3.841,29 3.625,30 5.817,31 3.602,32 4.356,33 4.529,34 3.725,35 3.434,36 5.903,37 3.432,38 4.188,39 4.35,40 3.594,41 3.34,42 5.632,43 3.325,44 4.113,45 4.268,46 3.499,47 3.263,48 5.518,49 3.256,50 3.906,51 4.021,52 3.43,53 3.233,54 5.308,55 3.203,56 0.174,57 0.563,58 7.759,59 3.782,60 18.226,61 3.471,62 0.511,63 0.842,64 12.77,65 5.831,66 54.221,67 5.701,68 0.685,69 0.969,70 18.732,71 7.58,72 56.203,73 7.344,74 0.681,75 0.959,76 19.931,77 7.205,78 79.305,79 6.607,80 0.77,81 0.845,82 18.739,83 6.079,84 106.431,85 6.393,86 0.58,87 0.728,88 14.738,89 5.269,90 57.914,91 5.4,92 0.582,93 0.64,94 13.203,95 4.771,96 61.876,97 4.623,98 0.35,99 0.545,100 11.444,101 4.587,102 28.273,103 4.149,104 18,105 37,106 0.318,107 0.62,108 0.73,109 0.844,110 0.857,111 0.857,112 3.228,113 0.972,114 -2.81,115 -2.82,116 -2.74,118 42.1,120 1,122 9,123 1,124 2,127 2,129 1,130 7,131 1,132 5,133 3,135 7,136 1,137 9,138 4,140 3,141 5,143 6,144 1,146 6,147 1,148 3,149 4,151 6,153 2,154 5,156 4,158 1,159 6,160 1,161 1,162 2,163 7,164 1,166 4,168 3,170 7,171 794,172 15.98,173 15.98,174 15.98,175 15.98,176 15.98,177 13.765,178 11.63,179 9.296,180 16.316,181 12.755,182 12.755,183 12.755,184 12.755,185 12.755,186 9.216,187 10.3,188 4.336,189 13.185,190 3.445,191 1.732,192 1.106,193 0.461,194 0.388,195 0.388,196 3.905,198 1,199 1,200 550,201 3.808,202 54.569,203 157.35,204 105.022,206 1.625,207 37.364,208 1,209 0.4,210 0.77,211 54,212 258,213 4.844,214 4.681,215 7.293,216 4.295,217 3.374,218 4.694,219 0.98,220 12.405,221 3.093,222 4.519,223 3.56,224 6.356,225 4.061,226 3.062,227 4.455,228 0.86,229 9.824,230 3.04,231 3.935,232 3.007,233 5.827,234 3.567,235 2.574,236 3.365,237 7.936,238 2.55,239 3.569,240 2.602,241 5.217,242 3.149,243 2.193,244 3.053,245 6.453,246 2.083,247 3.535,248 2.044,249 4.926,250 3.027,251 2.029,252 2.881,253 5.382,254 2.021,255 3.03,256 1.681,257 4.413,258 2.532,259 1.532,260 2.291,261 4.308,262 1.532,263 2.729,264 1.511,265 4.117,266 2.315,267 1.329,268 1.802,269 3.492,270 1.302,271 2.67,272 1.43,273 3.641,274 2.155,275 1.157,276 1.676,277 2.744,278 1.15,279 2.5,280 1.081,281 3.247,282 2,283 1,284 1.5,285 2.136,286 1,287 2.003,288 1,289 3.186,290 1.576,291 0.644,292 0.825,293 1.349,294 0.592,295 1.745,296 0.927,297 3.143,298 1.418,299 0.377,300 0.478,301 0.881,302 0.389,303 1.525,304 0.419,305 2.783,306 1.184,307 0.262,308 0.331,309 0.461,310 0.241,311 1,312 0.13,313 2.564,314 0.302,315 -0.672,316 -0.891,318 -1.631,319 -0.64,320 0.757,321 -0.321,322 2.364,323 0.231,324 -0.728,325 -1.007,327 -1.639,328 -0.678,329 0.736,330 -0.444,331 2.212,332 0.082,333 -0.905,334 -1.23,335 -2.347,336 -0.887,337 11.3,338 0.471,339 0.68,340 0.028,341 34,342 1.417,343 19,344 0.792,345 15,346 0.625,347 15.28,348 0.637,349 25.9,350 0.682,351 25.837,352 1.077,353 6.933,354 0.289,355 4.56,356 0.19,357 0.133,358 0.074,359 0.265,362 0.643,363 1.114,364 0.773,365 1.209,366 0.657,367 0.866,368 0.837,369 1.037,370 0.85,371 0.984,372 0.615,373 0.88,374 0.949,375 1.112,376 1.144,377 1.139,378 0.907,379 1.05,380 1.368,381 1.222,382 1.199,383 1.147,384 1.486,385 1.11,386 1.005,387 1.078,388 0.876,389 0.922,390 1.039,391 0.896,392 1.032,393 1.089,394 0.948,395 0.958,396 1.154,397 0.938,398 1.327,399 0.797,400 0.9,401 0.726,402 1.409,403 0.813,404 1.224,405 0.989,406 1.237,407 1.138,408 1.114,409 0.971,410 6,411 0.085,412 3.333,413 1.792,414 1.307,415 0.827,416 0.498,417 0.354,418 0.204,419 0.17,420 6539,421 22265,422 2.03,423 36.8,425 12,427 2,429 1.666,430 1.882,431 3.396,432 0.378,433 1,434 1,435 1,436 68.509,437 1.803,438 3.516,439 4.142,440 4.787,441 4.86,442 4.86,443 2.892,444 4.137,445 4.558,446 3.53,447 974.22,448 7.847,449 11590.4,450 1,452 1,453 199.421,454 1.601,455 4.498,456 0.231,457 0.006,458 0.09,459 0.05,460 0.044,461 0.031,462 0.021,463 0.016,464 0.01,465 0.009,466 0.507,467 0.33,468 0.813,469 115.067,470 0.035,471 0.037,472 0.202,473 -0.083,474 -0.146,475 0.034,476 0.094,477 0.024,478 0.027,479 -0.001,480 0.164,481 0.003,482 0.055,483 -0.088,484 -0.109,485 -0.09,486 0.04,487 -0.115,488 -0.252,489 -0.225,490 -0.172,491 -0.161,492 -0.254,493 -0.184,494 0.103,495 -0.098,496 0.107,497 -0.014,498 0.197,499 0.055,500 0.028,501 -0.088,502 0.038,503 -0.021,504 0.016,505 0.005,506 -0.127,507 0.16,508 0.031,509 0.172,510 -0.144,511 0.112,512 -0.17,513 0.011,514 -0.133,515 -0.028,516 -0.052,517 -0.016,518 4.764,519 5.084,520 0.625,521 19.583,522 1.032,523 1.117,524 1.584,525 2.509,526 0.697,527 3.296,528 3.638,529 3.871,530 4.06,531 4.263,532 4.277,533 4.317,534 4.369,535 4.317,536 4.248,537 6.225,538 0.683,539 346.39,540 3.296,541 4.844,542 5.687,543 6.567,544 7.431,545 8.313,546 9.184,547 10.067,548 10.942,549 11.826,550 5.3,551 1,552 1,556 2,557 9,560 1,561 3,562 16,564 1,566 38,567 19,568 2,569 26,571 40,572 16,573 14,574 4,575 8,576 1,577 3,578 4,583 15,584 1,585 3,586 1,587 3,588 1,589 1,590 1,592 1,593 14,594 7,595 2,596 8,597 1,599 2,600 0.667,601 5,604 1,605 2,606 1,608 2,609 1,611 1,614 24,615 1,616 2,617 1,623 13.2,624 3,625 2,626 12.75,627 7,628 5.264,629 1.944,630 2.885,631 1.418,632 0.996,633 4.576,634 9.789,635 3.638,636 4.301,637 4.853,638 5.405,639 5.937,640 6.191,641 6.504,642 6.778,643 6.722,644 6.729,645 1,646 36,647 9.112,649 4.189,650 8.163,651 16.231,653 13.144,655 2.663,656 63.917,659 141.253,660 126.334,661 34.171,663 89.965,665 5.807,666 120.526,667 231.218,668 34.171,669 10.883,670 17.888,671 107.376,672 74.163,673 29.874,674 10.285,675 141.253,677 141.253,678 154.697,679 89.965,680 5.807,682 141.253,683 89.965,684 34.171,685 120.526,686 5.807,688 141.253,689 124.136,690 126.334,691 5.807,692 141.253,693 24.357,694 96.169,695 34.171,696 89.965,697 141.253,698 124.136,699 126.334,700 0.588,701 0.342,702 0.168,703 0.094,704 18,705 8,706 0.125,707 5,708 1,709 1.133,710 3.616,711 189.514,712 0.133,713 15,714 104.039,715 1,716 16.518,717 6.649,718 3.617,719 1.164,720 124.136,721 14.286,724 5.398,725 0.647,726 34.171,727 391.723,728 37,729 -3.848,730 36.185,731 -0.704,732 39.218,733 42.455,734 0.344,735 0.67,736 0.789,737 0.912,738 0.926,739 0.926,740 4.868,741 1.157,742 5.714,743 3.492,744 4.317,745 4.987,746 1.481,747 6.564,748 4.258,749 6.127,750 1,751 7.311,752 2.744,753 4.111,754 5.112,756 7.796,757 3.972,758 7.49,759 0.644,760 9.024,761 2.136,762 6.009,763 7.367,764 1.37,765 10.797,766 5.862,767 8.899,768 0.377,769 10.809,770 1.349,771 6.621,772 8.309,774 12.852,775 6.374,776 10.344,777 0.262,778 12.641,779 0.881,780 8.045,781 10.095,782 1.275,783 15.47,784 7.782,785 11.814,786 -0.672,787 14.506,788 0.461,789 8.995,790 11.375,792 17.814,793 8.632,794 13.304,795 -0.728,796 16.395,797 -1.631,798 10.258,799 12.998,800 1.193,801 20.339,802 9.86,803 3.374,804 -0.905,805 18.302,806 -1.639,807 11.35,808 14.421,810 22.786,811 10.86,812 3.062,813 12.405,814 20.224,815 -2.347,816 12.56,817 15.985,818 1.123,819 25.292,820 12.018,821 2.574,822 9.824,823 22.156,824 4.694,825 13.711,826 17.468,828 27.777,829 13.083,830 2.193,831 7.936,832 24.098,833 4.455,834 14.907,835 19.01,836 1.062,837 30.283,838 14.215,839 2.029,840 6.453,841 26.047,842 3.365,843 16.084,844 20.519,846 32.785,847 15.309,848 1.532,849 5.382,850 28.002,851 3.053,852 17.278,853 22.054,854 1.01,855 35.294,856 16.432,857 1.329,858 4.308,859 29.962,860 2.881,861 18.467,862 23.575,864 37.803,865 17.539,866 6371,867 11934,868 16.989,869 26.5,870 39.056,871 40.989,872 40.117,873 39.11,874 39.069,875 54.702,876 3.68,877 114.742,878 37.986,879 5.748,880 6.681,881 7.095,882 5.335,883 5.374,884 7.694,885 1.96,886 19.573,887 5.093,888 12.134,889 1.502,890 1.577,891 1.543,892 1.504,893 1.503,894 2.104,895 0.142,896 4.413,897 1.461,898 4.116,899 4.114,900 4.734,901 4.056,902 7.717,903 4.022,904 4.044,905 4.025,906 4.071,907 3.99,908 7.429,909 3.949,910 3.653,911 3.673,912 3.676,913 3.543,914 6.999,915 3.485,916 3.515,917 3.509,918 3.498,919 3.348,920 5.12,921 3.362,922 3.245,923 3.29,924 3.153,925 2.953,926 4.717,927 2.979,928 3.034,929 3.095,930 2.885,931 2.839,932 4.683,933 2.847,934 2.864,935 2.925,936 2.712,937 2.735,938 4.174,939 2.715,940 2.854,941 2.914,942 2.687,943 2.667,944 4.039,945 2.668,946 0.186,947 0.18,948 0.28,949 0.165,950 0.13,951 4.844,952 0.181,953 4.681,954 0.038,955 7.293,956 0.477,957 4.295,958 0.119,959 3.374,960 4.694,961 0.98,962 12.405,963 3.093,964 1.951,965 1.958,966 1.995,967 2.023,968 1.152,969 2.062,970 1.909,971 1.896,972 1.992,973 1.999,974 1.119,975 1.995,976 1.553,977 1.547,978 1.606,979 1.8,980 0.645,981 1.767,982 1.407,983 1.436,984 1.567,985 1.579,986 0.58,987 1.589,988 1.207,989 1.147,990 1.291,991 1.521,992 0.549,993 1.535,994 0.968,995 0.922,996 1.181,997 1.219,998 0.218,999 1.211,1000 0.886,1001 0.821,1002 1.106,1003 1.062,1004 0.159,1005 1.107,1006 0.8,1007 0.76,1008 0.99,1009 1.041,1010 0.085,1011 1.022,1012 3.97,1013 5.303,1014 2.398,1015 6.828,1016 4.727,1017 8.431,1018 6.843,1019 10.074,1021 1.535,1024 4.154,1025 5.099,1029 25.965,1030 68.509,1031 133.608,1032 157.382,1033 181.911,1034 184.666,1035 184.666,1036 51.112,1037 6.904,1038 97.64,1039 106.02,1040 17,1041 12.361,1042 4.322,1043 3.585,1044 39.457,1045 90,1046 88,1047 0.215,1048 163.349,1049 278.92,1050 390.332,1051 8673,1053 17.156,1054 0.715,1055 0.561,1056 17.406,1057 13.462,1058 11.492,1059 0.442,1060 0.324,1061 6.93,1062 10.149,1063 6.66,1064 5.546,1065 12.313,1066 8.426,1067 10.678,1068 0.289,1069 0.178,1070 12.002,1071 6.569,1072 8.796,1073 0.187,1074 0.097,1075 9.887,1076 4.563,1077 6.656,1078 0.117,1079 0.052,1080 7.551,1081 2.954,1082 5.436,1083 0.078,1084 0.028,1085 6.268,1086 1.934,1087 0.34,1088 81.555,1089 0.243,1090 23.619,1091 0.58,1092 126,1093 472.204,1094 180.153,1095 463.697,1096 618.11,1097 426,1098 147,1099 421.891,1100 207.941,1101 458.473,1102 664.56,1103 427,1104 4.893}
{0 CHEMBL382232,1 1.792,2 10.13,3 1.955,4 3.824,5 85.176,6 9.094,7 0.68,8 3.711,9 3.795,10 3.617,11 3.352,12 4.903,13 3.319,14 4.186,15 4.289,16 3.877,17 3.694,18 5.671,19 3.659,20 4.427,21 4.581,22 3.911,23 3.775,24 5.795,25 3.712,26 4.427,27 4.602,28 3.775,29 3.592,30 5.81,31 3.548,32 4.248,33 4.43,34 3.623,35 3.394,36 5.832,37 3.371,38 4.064,39 4.241,40 3.488,41 3.283,42 5.452,43 3.252,44 4.018,45 4.172,46 3.437,47 3.229,48 5.533,49 3.214,50 3.851,51 4.001,52 3.316,53 3.227,54 5.19,55 3.164,56 0.126,57 0.556,58 7.344,59 3.384,60 16.365,61 3.255,62 0.353,63 0.842,64 10.593,65 5.148,66 45.863,67 5.421,68 0.405,69 1.03,70 18.361,71 7.509,72 43.632,73 7.886,74 0.552,75 0.998,76 20.046,77 6.91,78 83.311,79 6.461,80 0.558,81 0.825,82 15.929,83 5.483,84 97.524,85 5.544,86 0.297,87 0.698,88 14.59,89 4.939,90 36.364,91 4.949,92 0.428,93 0.626,94 11.391,95 4.231,96 66.361,97 3.839,98 0.209,99 0.555,100 9.831,101 4.152,102 28.359,103 4.13,104 10,105 35,106 0.318,107 0.547,108 0.677,109 0.822,110 0.869,111 0.869,112 3.188,113 0.992,114 -3.23,115 -3.22,116 -3.09,118 44.4,122 10,123 2,124 1,125 1,126 1,129 1,130 10,131 1,132 4,133 3,134 1,135 10,137 8,138 3,140 4,141 7,142 1,143 6,144 1,146 6,147 3,148 2,149 5,150 1,151 5,152 1,154 6,156 4,157 2,158 2,159 5,161 3,162 4,163 5,165 1,166 5,168 6,170 5,171 691,172 15.369,173 15.369,174 15.369,175 15.369,176 15.369,177 12.997,178 7.317,179 9.1,180 15.581,181 12.328,182 12.328,183 12.328,184 12.328,185 12.328,186 8.706,187 5.648,188 4.303,189 12.659,190 3.378,191 2.091,192 1.356,193 0.545,194 0.278,195 0.278,196 3.868,198 1,199 1,200 502,201 3.606,203 207.796,205 107.808,206 1.452,207 32.666,208 1,209 0.4,210 0.77,211 50.5,212 233,213 4.844,214 4.681,215 7.293,216 4.294,217 3.374,218 4.694,219 0.98,220 12.405,221 3.078,222 4.434,223 3.551,224 6.249,225 3.962,226 2.972,227 4.352,229 9.416,230 2.938,231 3.963,232 2.862,233 5.896,234 3.583,235 2.58,236 3.405,237 8.139,238 2.577,239 3.554,240 2.045,241 4.929,242 3.037,243 2.038,244 3.052,245 5.392,246 2.036,247 3.118,248 1.912,249 4.448,250 2.588,251 1.618,252 2.427,253 4.433,254 1.572,255 3.035,256 1.618,257 4.172,258 2.56,259 1.565,260 2.238,261 3.802,262 1.546,263 2.778,264 1.43,265 3.656,266 2.318,267 1.327,268 1.862,269 2.95,270 1.311,271 2.696,272 1.379,273 3.597,274 2.177,275 1.182,276 1.756,277 2.748,278 1.171,279 2.5,280 1,281 3.247,282 2,283 1,284 1.5,285 2.136,286 1,287 2.155,288 0.932,289 3.201,290 1.649,291 0.681,292 0.989,293 1.58,294 0.657,295 1.75,296 0.679,297 3.11,298 1.428,299 0.393,300 0.496,301 0.913,302 0.404,303 1.031,304 0.133,305 2.59,306 0.525,307 -0.471,308 -0.678,309 -1.125,310 -0.465,311 1,312 -0.236,313 2.438,314 0.36,315 -0.618,316 -0.927,318 -1.599,319 -0.603,320 0.882,321 -0.563,322 2.194,323 0.231,324 -0.728,325 -1.011,327 -1.633,328 -0.678,329 0.736,330 -0.618,331 2,332 0.028,333 -1,334 -1.303,335 -2.347,336 -1,337 11.033,338 0.48,339 0.612,340 0.027,341 34.5,342 1.5,343 20.5,344 0.891,345 14,346 0.609,347 13.438,348 0.584,349 23.767,350 0.66,351 25.032,352 1.088,353 6.878,354 0.299,355 4.182,356 0.182,357 0.091,358 0.076,359 0.227,362 0.486,363 1.051,364 0.784,365 1.121,366 0.633,367 0.816,368 0.541,369 1.111,370 0.887,371 1.038,372 0.581,373 0.99,374 0.846,375 1.223,376 1.102,377 1.182,378 0.863,379 1.081,380 1.498,381 1.084,382 1.2,383 1.062,384 1.515,385 1.04,386 1.245,387 0.942,388 0.963,389 0.853,390 1.12,391 0.873,392 1.325,393 1.131,394 1.105,395 1.099,396 1.199,397 0.915,398 1.726,399 0.822,400 0.978,401 0.712,402 1.816,403 0.826,404 1.179,405 0.987,406 1.089,407 1.025,408 1.152,409 0.998,410 5,411 0.062,412 3.333,413 1.375,414 1.124,415 0.785,416 0.407,417 0.25,418 0.217,419 0.137,420 5905,421 18888,422 2.057,423 36.1,425 10,426 1,427 2,429 1.654,430 1.93,431 3.322,432 0.364,433 1,434 1,435 1,436 64.502,437 1.792,438 3.079,439 3.814,440 4.625,441 4.892,442 4.892,443 2.736,444 4.176,445 4.499,446 3.451,447 873.199,448 7.727,449 10045.6,450 1,452 1,453 186.117,454 1.495,455 4.448,456 0.2,457 0.005,458 0.095,459 0.039,460 0.04,461 0.031,462 0.019,463 0.012,464 0.011,465 0.008,466 0.461,467 0.33,468 0.58,469 108.353,470 0.105,471 0.071,472 0.209,473 -0.041,474 -0.141,475 0.057,476 0.27,477 -0.048,478 -0.041,479 -0.091,480 0.177,481 -0.136,482 0.067,483 -0.219,484 -0.065,485 -0.154,486 0.035,487 -0.123,488 -0.223,489 -0.074,490 -0.134,491 -0.081,492 -0.221,493 -0.109,494 0.057,495 0.062,496 0.029,497 0.067,498 0.186,499 0.055,500 -0.179,501 -0.133,502 0.006,503 -0.071,504 -0.042,505 0.057,506 -0.244,507 0.149,508 -0.056,509 0.186,510 -0.228,511 0.057,512 -0.192,513 -0.016,514 -0.088,515 -0.008,516 -0.124,517 -0.038,518 4.725,519 5.088,520 0.696,521 17.267,522 1.022,523 1.114,524 2.002,525 4.01,526 0.718,527 3.258,528 3.584,529 3.807,530 3.97,531 4.19,532 4.127,533 4.174,534 4.143,535 4.234,536 4.143,537 5.958,538 0.695,539 327.39,540 3.258,541 4.796,542 5.631,543 6.5,544 7.353,545 8.223,546 9.081,547 9.951,548 10.812,549 11.682,550 8.3,551 1,552 1,555 1,556 2,557 11,558 1,561 2,562 17,566 36,567 20,568 2,569 25,571 38,572 16,573 15,574 3,575 9,576 1,577 3,578 4,583 16,585 3,586 1,587 3,588 1,589 1,590 1,593 13,594 6,595 2,596 7,597 1,599 3,600 0.667,601 3,602 1,605 3,607 1,608 2,609 1,614 23,615 1,616 2,623 8.3,624 3,626 11.917,627 6.283,628 5.014,629 1.908,630 3.143,631 1.464,632 1.018,633 4.173,634 9.922,635 3.624,636 4.277,637 4.82,638 5.345,639 5.923,640 6.094,641 6.446,642 6.632,643 6.983,644 6.778,645 0.857,646 35,647 8.734,649 4.026,650 8.12,651 15.672,653 12.831,655 2.62,656 60.25,659 129.482,660 123.775,661 50.956,663 69.458,665 5.807,666 117.968,667 198.94,668 50.956,670 17.888,671 116.852,672 102.719,673 18.501,675 117.711,677 129.482,678 168.924,679 69.458,680 5.807,682 129.482,683 69.458,684 45.362,685 106.776,686 22.593,688 129.482,689 120.414,690 123.775,691 5.807,692 129.482,693 14.158,694 103.81,695 34.171,696 86.243,697 129.482,698 120.414,699 123.775,700 0.586,701 0.338,702 0.167,703 0.093,704 17,705 7,706 0.105,707 4,708 1,709 1.125,710 3.552,711 178.073,712 0.125,713 16,714 98.042,715 1,716 15.317,717 6.266,718 3.433,719 1.556,720 120.414,721 18.169,722 4.167,725 0.33,726 34.171,727 373.672,728 36.5,729 -3.808,730 36.166,731 -0.581,732 36.782,733 40.119,734 0.347,735 0.596,736 0.738,737 0.895,738 0.946,739 0.946,740 4.838,741 1.182,742 5.645,743 2.95,744 4.263,745 4.963,746 1.072,747 6.482,748 4.207,749 6.09,750 1,751 7.233,752 2.748,753 4.007,754 5.027,756 7.727,757 3.865,758 7.444,759 0.681,760 8.944,761 2.136,762 5.938,763 7.331,764 1.045,765 10.725,766 5.786,767 8.846,768 0.393,769 10.732,770 1.58,771 6.524,772 8.228,774 12.802,775 6.258,776 10.286,777 -0.471,778 12.57,779 0.913,780 7.969,781 10.046,782 1.019,783 15.419,784 7.684,785 11.753,786 -0.618,787 14.443,788 -1.125,789 8.908,790 11.296,792 17.774,793 8.506,794 13.241,795 -0.728,796 16.34,797 -1.599,798 10.182,799 12.936,800 0.993,801 20.301,802 9.737,803 3.374,804 -1,805 18.254,806 -1.633,807 11.269,808 14.34,810 22.754,811 10.713,812 2.972,813 12.405,814 20.181,815 -2.347,816 12.484,817 15.909,818 0.967,819 25.263,820 11.866,821 2.58,822 9.416,823 22.119,824 4.694,825 13.633,826 17.381,828 27.752,829 12.911,830 2.038,831 8.139,832 24.065,833 4.352,834 14.832,835 18.924,836 0.942,837 30.261,838 14.033,839 1.618,840 5.392,841 26.017,842 3.405,843 16.009,844 20.427,846 32.766,847 15.11,848 1.565,849 4.433,850 27.975,851 3.052,852 17.206,853 21.961,854 0.917,855 35.278,856 16.22,857 1.327,858 3.802,859 29.938,860 2.427,861 18.396,862 23.478,864 37.789,865 17.312,866 5686,867 10336,868 16.583,869 25.835,870 37.534,871 39.116,872 37.996,873 37.545,874 37.458,875 53.541,876 1.96,877 107.827,878 36.582,879 5.744,880 6.681,881 7.095,882 5.337,883 5.374,884 7.694,885 1.96,886 19.571,887 5.078,888 9.867,889 1.501,890 1.565,891 1.52,892 1.502,893 1.498,894 2.142,895 0.078,896 4.313,897 1.463,898 4.092,899 4.106,900 4.734,901 4.057,902 7.717,903 4.011,904 4.034,905 4.025,906 4.026,907 3.989,908 7.429,909 3.947,910 3.659,911 3.684,912 3.676,913 3.547,914 6.999,915 3.502,916 3.53,917 3.533,918 3.514,919 3.434,920 4.981,921 3.413,922 3.141,923 3.186,924 3.085,925 2.88,926 4.716,927 2.917,928 2.981,929 3.04,930 2.873,931 2.849,932 4.373,933 2.848,934 2.854,935 2.925,936 2.687,937 2.735,938 4.162,939 2.715,940 2.667,941 2.736,942 2.535,943 2.513,944 3.909,945 2.505,946 0.194,947 0.187,948 0.292,949 0.172,950 0.135,951 4.844,952 0.188,953 4.681,954 0.039,955 7.293,956 0.496,957 4.294,958 0.123,959 3.374,960 4.694,961 0.98,962 12.405,963 3.078,964 2.036,965 2.013,966 2.112,967 2.123,968 1.211,969 2.122,970 1.95,971 1.956,972 1.995,973 2.019,974 1.151,975 2.058,976 1.552,977 1.533,978 1.658,979 1.754,980 0.708,981 1.746,982 1.427,983 1.443,984 1.315,985 1.573,986 0.585,987 1.6,988 1.004,989 0.958,990 1.209,991 1.284,992 0.244,993 1.261,994 0.969,995 0.919,996 1.181,997 1.147,998 0.218,999 1.171,1000 0.886,1001 0.821,1002 1.089,1003 1.062,1004 0.133,1005 1.107,1006 0.655,1007 0.591,1008 0.923,1009 0.872,1010 0.007,1011 0.891,1012 3.932,1013 5.252,1015 6.779,1017 8.389,1019 10.04,1024 4.252,1029 25.03,1030 64.502,1031 110.844,1032 137.288,1033 166.508,1034 176.117,1035 176.117,1036 46.829,1037 6.779,1038 88.16,1039 96.54,1040 18,1041 12.227,1042 4.392,1043 3.644,1044 36.995,1045 83,1046 71,1047 0.218,1048 159.224,1049 269.7,1050 380.266,1051 7598,1053 16.286,1054 0.708,1055 0.554,1056 16.536,1057 12.748,1058 11.06,1059 0.442,1060 0.331,1061 6.822,1062 9.924,1063 6.573,1064 5.474,1065 11.882,1066 8.265,1067 10.217,1068 0.292,1069 0.185,1070 11.541,1071 6.472,1072 8.339,1073 0.19,1074 0.102,1075 9.431,1076 4.469,1077 6.35,1078 0.122,1079 0.056,1080 7.245,1081 2.9,1082 5.278,1083 0.081,1084 0.03,1085 6.11,1086 1.949,1087 0.344,1088 77.486,1089 0.246,1090 22.754,1091 0.591,1092 120,1093 406.378,1094 168.787,1095 415.45,1096 555.06,1097 380,1098 139,1099 375.537,1100 194.465,1101 417.37,1102 602.43,1103 390,1104 4.478}
{0 CHEMBL427026,1 1.911,2 10.25,3 3.505,4 12.282,5 92.065,6 9.575,7 0.615,8 3.767,9 3.854,10 3.695,11 3.402,12 4.932,13 3.365,14 4.263,15 4.373,16 4.012,17 3.773,18 5.717,19 3.732,20 4.489,21 4.628,22 4.022,23 3.862,24 5.86,25 3.78,26 4.539,27 4.725,28 3.937,29 3.721,30 5.826,31 3.648,32 4.341,33 4.511,34 3.84,35 3.501,36 5.921,37 3.464,38 4.253,39 4.43,40 3.612,41 3.361,42 5.702,43 3.327,44 4.092,45 4.259,46 3.606,47 3.294,48 5.541,49 3.273,50 3.934,51 4.091,52 3.477,53 3.319,54 5.264,55 3.243,56 0.15,57 0.585,58 7.02,59 3.527,60 17.511,61 3.419,62 0.391,63 0.889,64 11.403,65 5.736,66 50.867,67 6.232,68 0.521,69 1.058,70 20.138,71 8.05,72 46.759,73 8.329,74 0.626,75 1.055,76 23.426,77 8.2,78 90.545,79 8.062,80 0.608,81 0.874,82 22.44,83 6.794,84 94.542,85 6.679,86 0.614,87 0.777,88 19.006,89 5.782,90 80.485,91 5.062,92 0.504,93 0.652,94 13.651,95 4.608,96 70.368,97 4.2,98 0.262,99 0.584,100 13.586,101 4.885,102 23.594,103 5.036,104 26,105 38,106 0.337,107 0.649,108 0.782,109 0.894,110 0.894,111 0.894,112 3.228,113 1.025,114 -3.82,115 -3.78,116 -3.59,118 42.1,119 1,122 8,123 2,124 2,127 2,129 1,130 8,131 1,133 3,134 3,135 11,137 5,138 4,139 1,140 5,141 8,143 5,145 1,146 6,147 3,148 2,149 6,151 8,154 5,155 2,156 5,159 5,161 4,162 2,163 6,165 3,166 4,168 2,169 2,170 8,171 758,172 15.557,173 15.557,174 15.557,175 15.557,176 15.557,177 13.265,178 11.343,179 8.919,180 15.903,181 12.811,182 12.811,183 12.811,184 12.811,185 12.811,186 9.204,187 8.466,188 4.25,189 13.412,190 3.337,191 1.566,192 0.809,193 0.178,194 0.178,195 0.178,196 3.901,197 1,198 1,199 1,200 525,201 3.742,202 54.435,203 157.489,204 105.637,206 1.521,207 35.406,208 1,209 0.6,210 0.8,211 52.833,212 246,213 4.848,214 4.683,215 7.297,216 4.302,217 3.381,218 4.701,219 0.98,220 12.427,221 3.088,222 4.516,223 3.56,224 6.353,225 4.035,226 3.058,227 4.453,229 9.808,230 2.98,231 3.923,232 3.052,233 5.818,234 3.536,235 2.553,236 3.397,237 7.877,238 2.505,239 3.831,240 2.64,241 5.224,242 3.386,243 2.388,244 3.341,245 6.52,246 2.382,247 3.488,248 2.552,249 4.957,250 2.985,251 2.093,252 2.828,253 5.793,254 1.775,255 3.032,256 1.736,257 4.616,258 2.566,259 1.577,260 2.292,261 4.437,262 1.553,263 3.004,264 1.667,265 4.401,266 2.516,267 1.527,268 2.189,269 4.284,270 1.508,271 2.689,272 1.506,273 4.091,274 2.234,275 1.262,276 1.71,277 3.406,278 1.213,279 2.611,280 1.246,281 3.492,282 2.101,283 1.106,284 1.64,285 2.533,286 1.096,287 1.945,288 0.932,289 3.226,290 1.429,291 0.476,292 0.688,293 1.188,294 0.433,295 1.745,296 0.642,297 3.158,298 1.407,299 0.377,300 0.478,301 0.884,302 0.388,303 1,304 0.133,305 2.663,306 0.595,307 -0.403,308 -0.509,309 -0.895,310 -0.28,311 0.949,312 0.065,313 2.414,314 0.425,315 -0.422,316 -0.544,318 -1.069,319 -0.401,320 0.943,321 -0.134,322 2.321,323 0.189,324 -0.773,325 -1.045,327 -2.161,328 -0.723,329 0.678,330 -0.371,331 2,332 0.108,333 -0.856,334 -1.193,335 -2.481,336 -0.812,337 11.748,338 0.489,339 0.824,340 0.034,341 33.25,342 1.385,343 18.5,344 0.771,345 14.75,346 0.615,347 17.09,348 0.712,349 25.452,350 0.67,351 24.796,352 1.033,353 6.529,354 0.272,355 4.82,356 0.201,357 0.188,358 0.071,359 0.298,362 0.534,363 1.063,364 0.683,365 1.036,366 0.638,367 0.783,368 0.527,369 1.135,370 0.71,371 0.935,372 0.532,373 0.883,374 0.854,375 1.179,376 1.141,377 1.213,378 0.881,379 1.181,380 1.356,381 1.055,382 0.962,383 0.958,384 1.426,385 0.974,386 1.108,387 1.275,388 1.117,389 1.233,390 0.989,391 0.981,392 1.75,393 0.956,394 1.108,395 0.857,396 1.825,397 0.853,398 1.507,399 0.81,400 0.807,401 0.716,402 1.631,403 0.771,404 0.927,405 0.955,406 1.055,407 1.129,408 0.876,409 0.955,410 7,411 0.105,412 3.556,413 1.979,414 1.618,415 0.82,416 0.442,417 0.354,418 0.253,419 0.17,420 6473,421 22625,422 2.005,423 36.8,424 3,425 8,427 3,429 1.666,430 1.834,431 3.346,432 1.08,434 1,436 72.609,437 1.911,438 3.682,439 4.439,440 5.07,441 5.07,442 5.07,443 2.757,444 4.335,445 4.561,446 3.493,447 963.959,448 7.851,449 11454.7,450 1,451 1,452 1,453 199.421,454 1.697,455 4.483,456 0.269,457 0.007,458 0.094,459 0.055,460 0.054,461 0.029,462 0.019,463 0.016,464 0.012,465 0.009,466 0.564,467 0.33,468 0.663,469 114.81,470 0.058,471 0.115,472 0.125,473 -0.01,474 -0.146,475 0.075,476 0.245,477 -0.054,478 0.044,479 -0.01,480 0.21,481 -0.013,482 0.053,483 -0.145,484 -0.184,485 -0.209,486 0.007,487 -0.252,488 -0.222,489 -0.072,490 -0.01,491 0.017,492 -0.224,493 -0.009,494 0.092,495 -0.249,496 -0.029,497 -0.175,498 0.268,499 -0.025,500 -0.328,501 0.063,502 -0.137,503 0.115,504 -0.255,505 0.055,506 -0.194,507 0.182,508 0.059,509 0.172,510 -0.198,511 0.124,512 -0.044,513 0.044,514 -0.043,515 -0.056,516 0.032,517 0.042,518 4.756,519 5.183,520 0.625,521 18.715,522 1.026,523 1.118,524 2.586,525 6.688,526 0.722,527 3.296,528 3.664,529 3.871,530 4.078,531 4.29,532 4.263,533 4.277,534 4.304,535 4.234,536 4.205,537 6.133,538 0.694,539 363.85,540 3.296,541 4.86,542 5.7,543 6.589,544 7.452,545 8.338,546 9.21,547 10.095,548 10.97,549 11.855,550 7.9,551 1,552 1,553 1,556 2,557 8,559 1,561 4,562 16,565 1,566 38,567 19,568 2,569 26,571 40,572 16,573 14,574 5,575 7,576 1,577 3,578 4,579 1,580 1,583 15,584 1,585 3,586 1,587 3,588 1,589 1,590 1,593 14,594 5,595 3,596 8,597 2,599 3,600 0.667,601 3,603 1,604 1,605 2,606 1,608 2,609 1,611 1,612 1,614 24,615 1,616 2,622 1,623 7.9,624 3,626 13.083,627 6.976,628 5.097,629 2.008,630 2.913,631 1.423,632 1.02,633 4.54,634 9.807,635 3.638,636 4.327,637 4.865,638 5.425,639 5.966,640 6.185,641 6.469,642 6.702,643 6.592,644 6.628,645 0.857,646 36,647 9.118,649 4.226,650 8.133,651 16.355,653 13.529,655 2.633,656 63.194,659 129.482,660 110.858,661 50.956,662 39.149,663 69.458,665 5.807,666 105.051,667 238.089,668 50.956,669 8.825,670 17.888,671 97.9,672 74.163,673 27.595,674 4.901,675 129.482,676 39.149,677 129.482,678 156.007,679 69.458,680 44.956,682 129.482,683 69.458,684 59.781,685 96.225,686 44.956,688 129.482,689 120.414,690 150.007,691 5.807,692 129.482,693 20.415,694 84.635,695 50.956,696 108.607,697 129.482,698 120.414,699 150.007,700 0.6,701 0.337,702 0.166,703 0.097,704 19,705 9,706 0.1,707 4,708 1,709 1.133,710 3.576,711 190.989,712 0.133,713 15,714 106.039,715 1,716 16.831,717 6.474,718 3.748,719 1.486,720 103.629,721 13.124,723 2.902,725 1.649,726 50.956,727 399.903,728 37,729 -3.84,730 36.509,731 -0.599,732 38.989,733 42.478,734 0.364,735 0.702,736 0.846,737 0.966,738 0.966,739 0.966,740 4.883,741 1.262,742 5.746,743 4.284,744 4.344,745 5.014,746 1.072,747 6.6,748 4.257,749 6.159,750 1.106,751 7.348,752 3.406,753 4.205,754 5.19,756 7.818,757 4.016,758 7.529,759 0.476,760 9.061,761 2.533,762 6.043,763 7.403,764 1.045,765 10.818,766 5.852,767 8.941,768 0.377,769 10.841,770 1.188,771 6.673,772 8.356,774 12.858,775 6.371,776 10.385,777 -0.403,778 12.667,779 0.884,780 8.074,781 10.127,782 1.019,783 15.482,784 7.753,785 11.853,786 -0.422,787 14.526,788 -0.895,789 9.028,790 11.407,792 17.821,793 8.597,794 13.34,795 -0.773,796 16.41,797 -1.069,798 10.281,799 13.024,800 0.993,801 20.351,802 9.809,803 3.381,804 -0.856,805 18.314,806 -2.161,807 11.373,808 14.445,810 22.797,811 10.797,812 3.058,813 12.427,814 20.233,815 -2.481,816 12.58,817 16.005,818 0.967,819 25.307,820 11.943,821 2.553,822 9.808,823 22.164,824 4.701,825 13.73,826 17.487,828 27.793,829 12.996,830 2.388,831 7.877,832 24.104,833 4.453,834 14.926,835 19.027,836 0.942,837 30.302,838 14.117,839 2.093,840 6.52,841 26.053,842 3.397,843 16.103,844 20.536,846 32.805,847 15.2,848 1.577,849 5.793,850 28.008,851 3.341,852 17.298,853 22.07,854 0.917,855 35.316,856 16.314,857 1.527,858 4.437,859 29.968,860 2.828,861 18.489,862 23.592,864 37.827,865 17.412,866 6304,867 11948,868 16.701,869 27.455,870 39.956,871 41.672,872 40.956,873 39.841,874 39.598,875 55.433,876 1.96,877 118.314,878 37.842,879 5.754,880 6.683,881 6.847,882 5.354,883 5.381,884 7.701,885 1.96,886 19.666,887 5.088,888 13.58,889 1.537,890 1.603,891 1.575,892 1.532,893 1.523,894 2.132,895 0.075,896 4.551,897 1.455,898 4.136,899 4.161,900 4.734,901 4.072,902 7.717,903 4.051,904 4.056,905 4.041,906 4.136,907 4.024,908 7.429,909 3.966,910 3.684,911 3.698,912 3.728,913 3.588,914 6.999,915 3.521,916 3.506,917 3.515,918 3.701,919 3.385,920 5.027,921 3.385,922 3.157,923 3.236,924 3.273,925 2.984,926 4.705,927 2.965,928 3.1,929 3.144,930 2.933,931 2.865,932 4.642,933 2.896,934 2.946,935 3.007,936 2.88,937 2.831,938 4.165,939 2.82,940 2.685,941 2.75,942 2.641,943 2.531,944 3.905,945 2.514,946 0.186,947 0.18,948 0.281,949 0.165,950 0.13,951 4.848,952 0.181,953 4.683,954 0.038,955 7.297,956 0.478,957 4.302,958 0.119,959 3.381,960 4.701,961 0.98,962 12.427,963 3.088,964 1.969,965 1.973,966 2.024,967 2.039,968 1.198,969 2.074,970 1.922,971 1.903,972 1.989,973 1.996,974 1.133,975 2.001,976 1.61,977 1.584,978 1.683,979 1.835,980 0.756,981 1.812,982 1.468,983 1.483,984 1.542,985 1.638,986 0.7,987 1.666,988 1.157,989 1.081,990 1.292,991 1.387,992 0.476,993 1.425,994 1.005,995 0.971,996 1.157,997 1.236,998 0.251,999 1.22,1000 0.943,1001 0.896,1002 1.096,1003 1.151,1004 0.138,1005 1.171,1006 0.711,1007 0.639,1008 0.987,1009 0.923,1010 0.061,1011 0.958,1012 3.97,1013 5.323,1014 2.398,1015 6.853,1016 4.727,1017 8.461,1018 6.843,1019 10.108,1021 1.785,1022 5.903,1024 4.275,1029 26.384,1030 72.609,1031 139.911,1032 168.666,1033 192.666,1034 192.666,1035 192.666,1036 52.983,1037 6.894,1038 91.06,1039 99.44,1040 17,1041 12.389,1042 4.322,1043 3.585,1044 39.449,1045 90,1046 78,1047 0.217,1048 170.484,1049 287.55,1050 407.741,1051 8595,1052 2.6,1053 17.32,1054 0.722,1055 0.592,1056 18.07,1057 14.202,1058 11.348,1059 0.436,1060 0.342,1061 7.091,1062 9.908,1063 6.746,1064 5.614,1065 12.458,1066 8.883,1067 11.143,1068 0.293,1069 0.195,1070 12.875,1071 7.41,1072 8.703,1073 0.185,1074 0.104,1075 10.044,1076 4.907,1077 6.682,1078 0.115,1079 0.058,1080 7.825,1081 3.372,1082 5.604,1083 0.078,1084 0.032,1085 6.801,1086 2.32,1087 0.343,1088 82.342,1089 0.245,1090 23.547,1091 0.588,1092 128,1093 429.269,1094 192.64,1095 467.38,1096 614.32,1097 426,1098 149,1099 397.189,1100 214.639,1101 449.467,1102 650.06,1103 419,1104 5.921}
{0 CHEMBL427030,1 2.039,2 10.208,3 3.683,4 13.563,5 91.828,6 10.979,7 0.615,8 3.706,9 3.778,10 3.737,11 3.372,12 4.915,13 3.341,14 4.19,15 4.271,16 4.075,17 3.747,18 5.715,19 3.712,20 4.436,21 4.562,22 4.204,23 3.851,24 5.847,25 3.766,26 4.438,27 4.575,28 4.121,29 3.666,30 5.956,31 3.629,32 4.233,33 4.388,34 3.825,35 3.391,36 5.88,37 3.376,38 4.049,39 4.198,40 3.638,41 3.303,42 5.521,43 3.266,44 4,45 4.128,46 3.742,47 3.265,48 5.599,49 3.261,50 3.833,51 3.954,52 3.588,53 3.279,54 5.249,55 3.211,56 0.178,57 0.536,58 3.886,59 3.049,60 22.779,61 2.462,62 0.43,63 0.805,64 5.551,65 4.833,66 51.99,67 4.513,68 0.645,69 0.958,70 20.311,71 7.663,72 67.387,73 7.044,74 0.832,75 0.909,76 21.51,77 7.53,78 110.922,79 5.843,80 0.742,81 0.745,82 18.201,83 5.765,84 111.815,85 4.899,86 0.517,87 0.647,88 14.753,89 5.092,90 60.003,91 4.165,92 0.576,93 0.569,94 10.125,95 4.396,96 80.777,97 3.368,98 0.338,99 0.506,100 10.982,101 4.297,102 35.421,103 3.802,104 26,105 38,106 0.365,107 0.618,108 0.755,109 0.888,110 0.908,111 0.908,112 3.228,113 1.033,114 -4.08,115 -4.03,116 -3.82,118 42.9,122 8,123 1,124 3,127 2,129 1,130 6,131 1,133 3,134 3,135 8,137 3,138 4,139 1,140 4,141 8,143 7,145 1,146 6,147 3,148 2,149 4,151 8,154 4,155 2,156 4,159 6,161 3,162 1,163 5,165 4,166 4,168 2,169 1,170 6,171 748,172 15.61,173 15.61,174 15.61,175 15.61,176 15.61,177 13.289,178 9.607,179 8.964,180 16.06,181 12.799,182 12.799,183 12.799,184 12.799,185 12.799,186 9.186,187 6.602,188 4.245,189 13.641,190 3.09,191 1.679,192 0.914,193 0.171,194 0.057,195 0.057,196 3.901,197 2,198 1,199 1,200 523,201 3.742,202 53.937,203 156.924,204 104.75,206 1.476,207 38.739,209 0.4,210 0.77,211 53.167,212 245,213 4.878,214 4.711,215 7.388,216 4.335,217 3.422,218 4.735,219 0.98,220 12.794,221 3.095,222 4.516,223 3.56,224 6.353,225 4.036,226 3.059,227 4.453,229 9.808,230 2.98,231 3.927,232 3.052,233 5.821,234 3.538,235 2.557,236 3.396,237 7.885,238 2.5,239 3.826,240 2.823,241 5.564,242 3.287,243 2.359,244 3.337,245 7.018,246 2.155,247 3.487,248 2.64,249 4.957,250 2.982,251 2.09,252 2.827,253 5.791,254 1.771,255 3.03,256 1.677,257 4.402,258 2.521,259 1.533,260 2.291,261 4.292,262 1.512,263 2.864,264 1.658,265 4.243,266 2.357,267 1.414,268 2.023,269 3.565,270 1.292,271 2.707,272 1.506,273 4.024,274 2.274,275 1.314,276 1.759,277 3.169,278 1.225,279 2.648,280 1.43,281 3.605,282 2.123,283 1.134,284 1.658,285 2.839,286 1.11,287 1.945,288 0.935,289 3.216,290 1.434,291 0.477,292 0.688,293 1.189,294 0.434,295 1.747,296 0.643,297 3.158,298 1.409,299 0.386,300 0.487,301 0.903,302 0.394,303 1.097,304 0.501,305 2.672,306 0.565,307 -0.233,308 -0.291,309 -0.515,310 -0.15,311 1,312 0.068,313 2.414,314 0.425,315 -0.422,316 -0.544,318 -1.069,319 -0.28,320 0.949,321 -0.138,322 2.321,323 0.12,324 -0.843,325 -1.141,327 -2.058,328 -0.766,329 0.625,330 -0.38,331 2,332 0.108,333 -0.856,334 -1.22,335 -2.481,336 -0.812,337 11.962,338 0.498,339 0.807,340 0.034,341 33.5,342 1.396,343 18.5,344 0.771,345 15,346 0.625,347 17.156,348 0.715,349 25.238,350 0.721,351 24.959,352 1.04,353 6.576,354 0.274,355 4.789,356 0.2,357 0.203,358 0.07,359 0.293,362 0.556,363 1.035,364 0.619,365 0.958,366 0.644,367 0.698,368 0.575,369 1.189,370 0.697,371 0.921,372 0.564,373 0.901,374 0.901,375 1.106,376 1.01,377 1.063,378 0.932,379 1.081,380 1.344,381 1.128,382 1.148,383 1.162,384 1.408,385 1.076,386 1.219,387 1.107,388 1.01,389 1.005,390 1.152,391 0.962,392 1.345,393 1.057,394 1.07,395 1.001,396 1.364,397 0.92,398 1.326,399 0.877,400 0.734,401 0.788,402 1.562,403 0.789,404 0.972,405 0.962,406 1.06,407 1.139,408 0.966,409 0.975,410 6.5,411 0.065,412 3.778,413 2.354,414 1.458,415 0.764,416 0.483,417 0.385,418 0.204,419 0.235,420 6397,421 26031,422 2.005,423 31.4,425 8,427 3,429 1.666,430 1.834,431 3.316,432 1.121,434 1,436 71.358,437 2.039,438 3.451,439 4.215,440 4.958,441 5.072,442 5.072,443 2.721,444 4.335,445 4.561,446 3.467,447 956.893,448 7.854,449 11325.6,450 1,452 1,453 179.525,454 1.697,455 4.483,456 0.25,457 0.004,458 0.099,459 0.064,460 0.046,461 0.029,462 0.021,463 0.017,464 0.01,465 0.012,466 0.552,467 0.33,468 0.663,469 114.54,470 0.027,471 0.131,472 0.071,473 -0.016,474 -0.143,475 0.083,476 0.176,477 -0.111,478 -0.027,479 -0.063,480 0.175,481 -0.11,482 0.011,483 -0.088,484 -0.049,485 -0.058,486 -0.035,487 -0.135,488 -0.161,489 -0.132,490 -0.107,491 -0.152,492 -0.15,493 -0.122,494 -0.022,495 -0.101,496 -0.058,497 -0.049,498 0.133,500 -0.226,501 -0.011,502 -0.139,503 0.019,504 -0.145,505 0.036,506 -0.087,507 0.089,508 0.105,509 0.131,510 -0.126,511 0.126,512 -0.066,513 0.041,514 -0.079,515 -0.073,516 -0.026,517 0.003,518 4.896,519 5.168,520 0.625,521 18.264,522 1.041,523 1.114,524 2.854,525 8.146,526 0.759,527 3.296,528 3.664,529 3.892,530 4.111,531 4.263,532 4.248,533 4.263,534 4.331,535 4.234,536 4.22,537 6.052,538 0.734,539 384.26,540 3.296,541 4.86,542 5.707,543 6.6,544 7.466,545 8.359,546 9.231,547 10.124,548 10.998,549 11.891,550 8.6,551 1,552 1,553 1,556 2,557 8,559 1,561 4,562 16,565 2,566 35,567 19,568 2,569 26,571 37,572 15,573 14,574 5,575 7,576 1,577 3,578 4,579 2,583 15,585 3,586 1,587 3,588 1,589 1,590 1,593 11,594 5,595 3,596 9,597 3,599 3,600 0.667,601 3,603 1,604 1,605 2,606 1,608 2,609 1,612 2,614 24,615 1,616 2,622 2,623 8.6,624 3,626 13.083,627 6.119,628 5.125,629 1.801,630 2.941,631 1.427,632 1.024,633 4.737,634 9.835,635 3.638,636 4.327,637 4.876,638 5.448,639 5.941,640 6.173,641 6.445,642 6.739,643 6.595,644 6.631,645 0.857,646 37,647 9.136,649 4.303,650 8.221,651 16.141,653 13.367,655 2.721,656 65.306,659 94.169,660 102.348,661 50.956,662 78.297,663 69.458,665 5.807,666 96.54,667 241.924,668 50.956,670 17.888,671 97.9,672 74.163,673 27.91,674 4.901,675 94.169,676 78.297,677 94.169,678 147.497,679 69.458,680 84.105,682 94.169,683 69.458,684 50.956,685 96.54,686 84.105,688 94.169,689 120.414,690 180.645,691 5.807,692 94.169,693 20.73,694 75.81,695 50.956,696 147.755,697 94.169,698 120.414,699 180.645,700 0.599,701 0.344,702 0.175,703 0.092,704 19,705 9,706 0.108,707 4,708 1,709 1.133,710 3.558,711 192.055,712 0.133,713 15,714 108.039,715 1,716 17.107,717 6.645,718 3.699,719 1.445,720 103.629,721 12.587,723 2.878,725 0.65,726 50.956,727 395.228,728 37,729 -3.98,730 36.462,731 -0.641,732 36.429,733 39.007,734 0.397,735 0.673,736 0.822,737 0.967,738 0.989,739 0.989,740 4.883,741 1.314,742 5.753,743 3.565,744 4.344,745 5.014,746 1.072,747 6.621,748 4.222,749 6.159,750 1.134,751 7.363,752 3.169,753 4.205,754 5.19,756 7.867,757 3.949,758 7.532,759 0.477,760 9.087,761 2.839,762 6.052,763 7.408,764 1.045,765 10.897,766 5.808,767 8.947,768 0.386,769 10.881,770 1.189,771 6.698,772 8.372,774 12.967,775 6.32,776 10.396,777 -0.233,778 12.72,779 0.903,780 8.103,781 10.144,782 1.019,783 15.623,784 7.714,785 11.869,786 -0.422,787 14.592,788 -0.515,789 9.075,790 11.435,792 17.991,793 8.562,794 13.362,795 -0.843,796 16.49,797 -1.069,798 10.336,799 13.053,800 0.993,801 20.555,802 9.782,803 3.422,804 -0.856,805 18.406,806 -2.058,807 11.444,808 14.484,810 23.032,811 10.776,812 3.059,813 12.794,814 20.338,815 -2.481,816 12.661,817 16.047,818 0.967,819 25.575,820 11.928,821 2.557,822 9.808,823 22.281,824 4.735,825 13.826,826 17.537,828 28.093,829 12.987,830 2.359,831 7.885,832 24.235,833 4.453,834 15.033,835 19.082,836 0.942,837 30.635,838 14.114,839 2.09,840 7.018,841 26.196,842 3.396,843 16.225,844 20.599,846 33.169,847 15.202,848 1.533,849 5.791,850 28.164,851 3.337,852 17.432,853 22.138,854 0.917,855 35.712,856 16.32,857 1.414,858 4.292,859 30.137,860 2.827,861 18.637,862 23.667,864 38.254,865 17.422,866 6233,867 12721,868 16.701,869 26.551,870 39.843,871 42.084,872 41.154,873 39.941,874 39.488,875 55.309,876 1.96,877 118.508,878 36.938,879 5.785,880 6.711,881 7.071,882 5.393,883 5.422,884 7.735,885 1.96,886 20.417,887 5.095,888 13.465,889 1.532,890 1.619,891 1.583,892 1.536,893 1.519,894 2.127,895 0.075,896 4.558,897 1.421,898 4.135,899 4.16,900 4.741,901 4.072,902 7.717,903 4.051,904 4.052,905 4.029,906 4.136,907 4.024,908 7.429,909 3.962,910 3.654,911 3.671,912 3.875,913 3.552,914 6.999,915 3.49,916 3.499,917 3.504,918 3.705,919 3.384,920 5.028,921 3.377,922 3.127,923 3.164,924 3.288,925 2.869,926 4.907,927 2.906,928 2.946,929 3.007,930 3.27,931 2.831,932 4.643,933 2.82,934 2.879,935 2.922,936 2.881,937 2.799,938 4.337,939 2.77,940 2.661,941 2.705,942 2.642,943 2.524,944 4.165,945 2.506,946 0.188,947 0.181,948 0.284,949 0.167,950 0.132,951 4.878,952 0.182,953 4.711,954 0.038,955 7.388,956 0.492,957 4.335,958 0.119,959 3.422,960 4.735,961 0.98,962 12.794,963 3.095,964 1.946,965 1.959,966 1.989,967 2.012,968 1.152,969 2.049,970 1.922,971 1.903,972 1.957,973 1.995,974 1.133,975 2.001,976 1.604,977 1.573,978 1.682,979 1.825,980 0.734,981 1.797,982 1.43,983 1.452,984 1.298,985 1.609,986 0.583,987 1.633,988 1.006,989 0.971,990 1.158,991 1.249,992 0.251,993 1.226,994 0.945,995 0.898,996 1.123,997 1.151,998 0.173,999 1.171,1000 0.868,1001 0.824,1002 1.024,1003 1.019,1004 0.127,1005 1.062,1006 0.69,1007 0.617,1008 0.943,1009 0.904,1011 0.938,1012 3.97,1013 5.323,1014 2.398,1015 6.86,1016 4.727,1017 8.477,1018 6.843,1019 10.137,1022 11.751,1024 4.153,1029 25.685,1030 71.358,1031 120.77,1032 147.525,1033 173.525,1034 177.525,1035 177.525,1036 55.478,1037 6.894,1038 91.06,1039 99.44,1040 17,1041 12.421,1042 4.322,1043 3.585,1044 39.431,1045 89,1046 78,1047 0.22,1048 169.224,1049 285.46,1050 404.668,1051 8595,1052 5.7,1053 17.32,1054 0.722,1055 0.597,1056 18.57,1057 14.336,1058 11.365,1059 0.437,1060 0.344,1061 6.816,1062 9.662,1063 6.51,1064 5.366,1065 12.763,1066 8.955,1067 11.043,1068 0.291,1069 0.195,1070 13.126,1071 7.399,1072 8.777,1073 0.183,1074 0.109,1075 10.537,1076 5.235,1077 6.997,1078 0.117,1079 0.061,1080 8.821,1081 3.665,1082 5.397,1083 0.077,1084 0.031,1085 6.671,1086 2.199,1087 0.347,1088 85.619,1089 0.245,1090 23.487,1091 0.599,1092 128,1093 455.472,1094 208.159,1095 520.496,1096 673.76,1097 474,1098 150,1099 415.052,1100 232.28,1101 475.174,1102 691.16,1103 444,1104 5.244}
{0 CHEMBL437697,1 1.792,2 10.13,3 1.955,4 3.824,5 85.176,6 9.094,7 0.68,8 3.711,9 3.795,10 3.617,11 3.352,12 4.903,13 3.319,14 4.186,15 4.289,16 3.877,17 3.694,18 5.672,19 3.659,20 4.427,21 4.581,22 3.908,23 3.781,24 5.792,25 3.717,26 4.423,27 4.592,28 3.767,29 3.609,30 5.782,31 3.564,32 4.276,33 4.457,34 3.627,35 3.413,36 5.853,37 3.386,38 4.098,39 4.288,40 3.487,41 3.302,42 5.496,43 3.254,44 4.006,45 4.161,46 3.425,47 3.257,48 5.451,49 3.227,50 3.882,51 4.022,52 3.328,53 3.24,54 5.245,55 3.185,56 0.126,57 0.556,58 7.344,59 3.384,60 16.365,61 3.255,62 0.353,63 0.842,64 10.593,65 5.148,66 45.553,67 5.421,68 0.412,69 1.029,70 18.432,71 7.499,72 44.598,73 7.855,74 0.495,75 0.984,76 19.593,77 6.959,78 77.878,79 6.426,80 0.561,81 0.835,82 16.34,83 5.694,84 100.782,85 5.73,86 0.356,87 0.72,88 15.341,89 5.275,90 41.656,91 5.421,92 0.355,93 0.625,94 12.418,95 4.61,96 54.782,97 4.166,98 0.253,99 0.562,100 10.39,101 4.146,102 39.402,103 3.989,104 10,105 35,106 0.318,107 0.547,108 0.711,109 0.855,110 0.869,111 0.869,112 3.188,113 0.992,114 -3.23,115 -3.22,116 -3.09,118 44.4,122 10,123 2,124 1,125 1,126 1,129 1,130 10,131 1,132 4,133 3,134 1,135 10,137 9,138 3,140 5,141 7,143 7,146 8,147 3,148 2,149 5,151 6,152 1,153 1,154 7,155 1,156 3,157 2,159 6,160 1,161 1,162 6,163 3,166 9,167 2,168 2,170 8,171 691,172 15.369,173 15.369,174 15.369,175 15.369,176 15.369,177 12.997,178 7.317,179 9.1,180 15.589,181 12.328,182 12.328,183 12.328,184 12.328,185 12.328,186 8.706,187 5.648,188 4.303,189 12.67,190 3.378,191 2.091,192 1.166,193 0.354,194 0.278,195 0.278,196 3.868,198 1,199 1,200 502,201 3.606,203 207.796,205 107.808,206 1.452,207 32.72,208 1,209 0.4,210 0.77,211 50.5,212 233,213 4.844,214 4.681,215 7.293,216 4.294,217 3.374,218 4.694,219 0.98,220 12.405,221 3.079,222 4.434,223 3.551,224 6.249,225 3.966,226 2.972,227 4.352,229 9.416,230 2.948,231 3.963,232 2.862,233 5.896,234 3.578,235 2.58,236 3.405,237 8.139,238 2.565,239 3.554,240 2.045,241 4.929,242 3.037,243 2.038,244 3.052,245 5.392,246 2.036,247 3.118,248 1.912,249 4.448,250 2.606,251 1.618,252 2.427,253 4.433,254 1.599,255 3.035,256 1.618,257 4.172,258 2.545,259 1.565,260 2.238,261 3.802,262 1.524,263 2.778,264 1.43,265 3.656,266 2.309,267 1.327,268 1.862,269 2.95,270 1.3,271 2.696,272 1.379,273 3.597,274 2.178,275 1.182,276 1.756,277 2.748,278 1.173,279 2.5,280 1,281 3.247,282 2,283 1,284 1.5,285 2.136,286 1,287 2.155,288 0.932,289 3.201,290 1.657,291 0.681,292 0.989,293 1.58,294 0.663,295 1.75,296 0.679,297 3.11,298 1.426,299 0.393,300 0.496,301 0.913,302 0.403,303 1.031,304 0.133,305 2.59,306 0.525,307 -0.471,308 -0.678,309 -1.125,310 -0.464,311 1,312 -0.236,313 2.438,314 0.367,315 -0.618,316 -0.927,318 -1.599,319 -0.608,320 0.882,321 -0.563,322 2.194,323 0.231,324 -0.728,325 -1.011,327 -1.633,328 -0.678,329 0.736,330 -0.618,331 2,332 0.027,333 -1,334 -1.303,335 -2.347,336 -1,337 11.033,338 0.48,339 0.612,340 0.027,341 34.5,342 1.5,343 20.5,344 0.891,345 14,346 0.609,347 13.465,348 0.585,349 23.767,350 0.66,351 25.005,352 1.087,353 6.879,354 0.299,355 4.182,356 0.182,357 0.091,358 0.076,359 0.227,362 0.486,363 1.051,364 0.784,365 1.121,366 0.633,367 0.816,368 0.541,369 1.111,370 0.887,371 1.038,372 0.579,373 0.99,374 0.856,375 1.167,376 1.108,377 1.156,378 0.865,379 1.062,380 1.555,381 1.162,382 1.218,383 1.109,384 1.541,385 1.077,386 1.305,387 1.05,388 0.981,389 0.895,390 1.187,391 0.92,392 1.201,393 0.927,394 1.077,395 0.976,396 1.111,397 0.861,398 1.704,399 0.782,400 1.107,401 0.846,402 1.743,403 0.839,404 1.376,405 0.934,406 1.147,407 1.038,408 1.443,409 1.016,410 5,411 0.062,412 3.333,413 1.375,414 1.124,415 0.785,416 0.407,417 0.25,418 0.217,419 0.137,420 5905,421 19112,422 2.057,423 36.1,425 10,426 1,427 2,429 1.654,430 1.93,431 3.322,432 0.364,433 1,434 1,435 1,436 64.502,437 1.792,438 3.079,439 4.004,440 4.816,441 4.892,442 4.892,443 2.736,444 4.176,445 4.499,446 3.451,447 873.199,448 7.727,449 10045.6,450 1,452 1,453 186.117,454 1.495,455 4.448,456 0.2,457 0.005,458 0.095,459 0.039,460 0.04,461 0.031,462 0.019,463 0.012,464 0.011,465 0.008,466 0.461,467 0.33,468 0.58,469 108.353,470 0.105,471 0.071,472 0.209,473 -0.041,474 -0.141,475 0.057,476 0.27,477 -0.048,478 -0.041,479 -0.091,480 0.18,481 -0.136,482 0.057,483 -0.162,484 -0.071,485 -0.127,486 0.033,487 -0.104,488 -0.305,489 -0.17,490 -0.165,491 -0.123,492 -0.254,493 -0.143,494 0.01,495 -0.068,496 0.007,497 0.026,498 0.152,499 0.014,500 -0.061,501 0.076,502 0.046,503 0.05,504 0.022,505 0.128,506 -0.323,507 0.182,508 -0.083,509 0.139,510 -0.246,511 0.088,512 -0.261,513 0.016,514 -0.152,515 -0.023,516 -0.232,517 -0.071,518 4.717,519 5.108,520 0.696,521 17.267,522 1.022,523 1.114,524 2.002,525 4.01,526 0.718,527 3.258,528 3.584,529 3.807,530 3.97,531 4.19,532 4.127,533 4.174,534 4.143,535 4.234,536 4.143,537 5.958,538 0.695,539 327.39,540 3.258,541 4.796,542 5.631,543 6.5,544 7.353,545 8.223,546 9.081,547 9.951,548 10.812,549 11.682,550 8.3,551 1,552 1,555 1,556 2,557 11,558 1,561 2,562 17,566 36,567 20,568 2,569 25,571 38,572 16,573 15,574 4,575 8,576 1,577 3,578 4,583 16,585 3,586 1,587 3,588 1,589 1,590 1,593 13,594 6,595 2,596 7,597 1,599 3,600 0.667,601 3,602 1,605 3,607 1,608 2,609 1,614 23,615 1,616 2,623 8.3,624 3,626 11.917,627 6.283,628 5.014,629 1.908,630 3.143,631 1.464,632 1.018,633 4.173,634 9.922,635 3.624,636 4.277,637 4.82,638 5.345,639 5.923,640 6.094,641 6.446,642 6.632,643 6.983,644 6.778,645 0.857,646 35,647 8.731,649 4.021,650 8.12,651 15.672,653 12.831,655 2.62,656 60.25,659 129.482,660 123.775,661 50.956,663 69.458,665 5.807,666 117.968,667 198.94,668 50.956,670 17.888,671 116.852,672 102.719,673 18.501,675 117.711,677 129.482,678 168.924,679 69.458,680 5.807,682 129.482,683 69.458,684 45.362,685 106.776,686 22.593,688 129.482,689 120.414,690 123.775,691 5.807,692 129.482,693 14.158,694 103.81,695 34.171,696 86.243,697 129.482,698 120.414,699 123.775,700 0.586,701 0.338,702 0.167,703 0.093,704 17,705 7,706 0.105,707 4,708 1,709 1.125,710 3.552,711 178.073,712 0.125,713 16,714 98.042,715 1,716 15.317,717 6.266,718 3.433,719 1.556,720 120.414,721 17.99,722 4.163,725 0.407,726 34.171,727 373.672,728 36.5,729 -3.8,730 36.197,731 -0.546,732 36.782,733 40.119,734 0.347,735 0.596,736 0.774,737 0.931,738 0.946,739 0.946,740 4.838,741 1.182,742 5.645,743 2.95,744 4.263,745 4.963,746 1.072,747 6.482,748 4.207,749 6.09,750 1,751 7.233,752 2.748,753 4.007,754 5.027,756 7.727,757 3.865,758 7.444,759 0.681,760 8.944,761 2.136,762 5.938,763 7.331,764 1.045,765 10.725,766 5.788,767 8.846,768 0.393,769 10.732,770 1.58,771 6.524,772 8.228,774 12.802,775 6.26,776 10.286,777 -0.471,778 12.57,779 0.913,780 7.969,781 10.046,782 1.019,783 15.419,784 7.687,785 11.753,786 -0.618,787 14.443,788 -1.125,789 8.908,790 11.296,792 17.774,793 8.51,794 13.241,795 -0.728,796 16.34,797 -1.599,798 10.182,799 12.936,800 0.993,801 20.301,802 9.743,803 3.374,804 -1,805 18.254,806 -1.633,807 11.269,808 14.34,810 22.754,811 10.72,812 2.972,813 12.405,814 20.181,815 -2.347,816 12.484,817 15.909,818 0.967,819 25.263,820 11.875,821 2.58,822 9.416,823 22.119,824 4.694,825 13.633,826 17.381,828 27.752,829 12.921,830 2.038,831 8.139,832 24.065,833 4.352,834 14.832,835 18.924,836 0.942,837 30.261,838 14.044,839 1.618,840 5.392,841 26.017,842 3.405,843 16.009,844 20.427,846 32.766,847 15.122,848 1.565,849 4.433,850 27.975,851 3.052,852 17.206,853 21.961,854 0.917,855 35.278,856 16.234,857 1.327,858 3.802,859 29.938,860 2.427,861 18.396,862 23.478,864 37.789,865 17.327,866 5686,867 10388,868 16.583,869 25.835,870 37.534,871 39.116,872 37.996,873 37.546,874 37.458,875 53.541,876 1.96,877 107.827,878 36.579,879 5.744,880 6.681,881 7.095,882 5.333,883 5.374,884 7.694,885 1.96,886 19.571,887 5.079,888 9.867,889 1.501,890 1.565,891 1.52,892 1.502,893 1.498,894 2.142,895 0.078,896 4.313,897 1.463,898 4.094,899 4.107,900 4.734,901 4.058,902 7.717,903 4.014,904 4.034,905 4.025,906 4.027,907 3.991,908 7.429,909 3.947,910 3.655,911 3.68,912 3.676,913 3.545,914 6.999,915 3.492,916 3.521,917 3.53,918 3.504,919 3.412,920 4.99,921 3.401,922 3.186,923 3.22,924 3.114,925 2.986,926 4.717,927 3.006,928 2.951,929 3.015,930 2.854,931 2.782,932 4.352,933 2.791,934 2.854,935 2.925,936 2.687,937 2.735,938 4.133,939 2.715,940 2.668,941 2.737,942 2.535,943 2.51,944 3.951,945 2.501,946 0.194,947 0.187,948 0.292,949 0.172,950 0.135,951 4.844,952 0.188,953 4.681,954 0.039,955 7.293,956 0.496,957 4.294,958 0.123,959 3.374,960 4.694,961 0.98,962 12.405,963 3.079,964 2.038,965 2.016,966 2.111,967 2.123,968 1.218,969 2.122,970 1.95,971 1.956,972 1.995,973 2.019,974 1.151,975 2.058,976 1.536,977 1.518,978 1.652,979 1.749,980 0.685,981 1.739,982 1.43,983 1.437,984 1.356,985 1.574,986 0.59,987 1.601,988 1.088,989 1.057,990 1.19,991 1.315,992 0.265,993 1.308,994 0.912,995 0.856,996 1.181,997 1.122,998 0.218,999 1.135,1000 0.886,1001 0.821,1002 1.089,1003 1.062,1004 0.143,1005 1.107,1006 0.649,1007 0.586,1008 0.888,1009 0.875,1011 0.893,1012 3.932,1013 5.252,1015 6.779,1017 8.389,1019 10.04,1024 4.284,1029 25.03,1030 64.502,1031 110.844,1032 144.143,1033 173.362,1034 176.117,1035 176.117,1036 46.695,1037 6.779,1038 88.16,1039 96.54,1040 18,1041 12.227,1042 4.392,1043 3.644,1044 36.995,1045 83,1046 71,1047 0.218,1048 159.224,1049 269.7,1050 380.266,1051 7598,1053 16.286,1054 0.708,1055 0.554,1056 16.536,1057 12.748,1058 11.06,1059 0.442,1060 0.331,1061 6.822,1062 9.92,1063 6.574,1064 5.472,1065 11.882,1066 8.265,1067 10.217,1068 0.292,1069 0.185,1070 11.541,1071 6.466,1072 8.339,1073 0.19,1074 0.102,1075 9.431,1076 4.481,1077 6.35,1078 0.122,1079 0.056,1080 7.245,1081 2.921,1082 5.278,1083 0.081,1084 0.03,1085 6.11,1086 1.961,1087 0.344,1088 77.486,1089 0.246,1090 22.754,1091 0.591,1092 120,1093 406.378,1094 168.787,1095 415.319,1096 555.02,1097 380,1098 139,1099 375.537,1100 194.298,1101 417.07,1102 601.95,1103 390,1104 4.876}
{0 CHEMBL437702,1 1.695,2 11,3 3.759,4 14.128,5 101.465,6 8.848,7 0.7,8 3.893,9 3.969,10 3.756,11 3.537,12 5.051,13 3.507,14 4.393,15 4.494,16 4.066,17 3.91,18 5.8,19 3.881,20 4.619,21 4.752,22 4.101,23 4.006,24 5.94,25 3.951,26 4.678,27 4.846,28 4.012,29 3.907,30 5.933,31 3.849,32 4.512,33 4.675,34 3.887,35 3.747,36 6.004,37 3.699,38 4.464,39 4.647,40 3.744,41 3.634,42 5.832,43 3.583,44 4.306,45 4.484,46 3.622,47 3.507,48 5.651,49 3.465,50 4.163,51 4.316,52 3.62,53 3.469,54 5.485,55 3.425,56 0.133,57 0.612,58 8.834,59 4.177,60 16.264,61 4.141,62 0.372,63 0.958,64 13.849,65 6.71,66 49.997,67 7.255,68 0.436,69 1.176,70 21.135,71 9.221,72 43.84,73 9.586,74 0.573,75 1.229,76 24.581,77 9.361,78 83.327,79 9.261,80 0.55,81 1.081,82 22.47,83 8.082,84 96.518,85 8.182,86 0.575,87 1.006,88 21.129,89 7.423,90 71.233,91 7.62,92 0.44,93 0.846,94 17.295,95 6.258,96 59.238,97 6.311,98 0.311,99 0.724,100 13.858,101 5.552,102 44.703,103 5.496,104 17,105 44,106 0.288,107 0.57,108 0.701,109 0.859,110 0.894,111 0.894,112 3.34,113 0.972,114 -4.1,115 -4.05,116 -3.83,118 46.5,119 1,122 11,123 4,124 1,127 2,129 1,130 14,131 1,132 5,133 3,134 1,135 16,137 10,138 3,140 5,141 12,143 8,146 8,147 8,148 2,149 7,151 7,152 7,153 1,154 7,155 1,156 4,157 5,159 8,160 1,161 3,162 6,163 5,165 3,166 10,167 2,168 2,169 1,170 10,171 1058,172 17.971,173 17.971,174 17.971,175 17.971,176 17.971,177 15.179,178 9.742,179 10.359,180 18.128,181 14.799,182 14.799,183 14.799,184 14.799,185 14.799,186 10.442,187 7.825,188 4.911,189 15.036,190 3.731,191 2.067,192 1.292,193 0.361,194 0.157,195 0.157,196 4.034,198 1,199 1,200 653,201 3.808,202 48.464,203 221.759,204 189.229,206 1.63,207 36.6,209 0.4,210 0.77,211 59,212 297,213 4.848,214 4.683,215 7.297,216 4.302,217 3.381,218 4.809,219 0.98,220 12.427,221 3.222,222 4.713,223 3.554,224 6.766,225 4.22,226 3.22,227 4.701,229 11.138,230 3.084,231 4.1,232 3.186,233 6.02,234 3.735,235 2.726,236 3.667,237 8.566,238 2.74,239 3.834,240 2.553,241 5.534,242 3.392,243 2.392,244 3.392,245 6.945,246 2.391,247 3.672,248 2.317,249 5.224,250 3.199,251 2.197,252 3.154,253 6.519,254 2.2,255 3.263,256 1.847,257 4.882,258 2.765,259 1.765,260 2.639,261 5.326,262 1.765,263 3.012,264 1.736,265 4.619,266 2.584,267 1.593,268 2.197,269 4.452,270 1.573,271 2.939,272 1.718,273 4.172,274 2.446,275 1.443,276 2.127,277 3.69,278 1.444,279 2.817,280 1.388,281 3.792,282 2.341,283 1.34,284 1.894,285 3.062,286 1.338,287 2.614,288 1.246,289 3.59,290 2.115,291 1.117,292 1.658,293 2.543,294 1.112,295 2.5,296 1,297 3.493,298 2,299 1,300 1.5,301 2.531,302 1,303 1.88,304 0.935,305 3.255,306 1.512,307 0.498,308 0.646,309 1.187,310 0.503,311 1.733,312 0.408,313 3.039,314 1.305,315 0.282,316 0.397,318 0.686,319 0.287,320 1,321 0.13,322 2.673,323 0.595,324 -0.403,325 -0.509,327 -0.895,328 -0.401,329 0.943,330 -0.134,331 2.463,332 0.442,333 -0.571,334 -0.817,335 -1.447,336 -0.575,337 12.967,338 0.48,339 0.821,340 0.03,341 39,342 1.444,343 22.5,344 0.833,345 16.5,346 0.611,347 18.646,348 0.691,349 27.833,350 0.647,351 29.99,352 1.111,353 7.711,354 0.286,355 5.227,356 0.194,357 0.116,358 0.064,359 0.308,362 0.546,363 0.976,364 0.768,365 1.082,366 0.633,367 0.812,368 0.594,369 1.005,370 0.798,371 0.978,372 0.544,373 0.893,374 0.936,375 1.156,376 1.093,377 1.158,378 0.855,379 1.071,380 1.428,381 1.085,382 1.085,383 0.989,384 1.409,385 1.002,386 1.094,387 1.209,388 1.237,389 1.174,390 1.037,391 1.026,392 1.301,393 1.005,394 1.111,395 0.938,396 1.468,397 0.935,398 1.45,399 0.911,400 1.036,401 0.843,402 1.577,403 0.862,404 1.331,405 0.979,406 0.944,407 0.939,408 1.486,409 0.914,410 6.5,411 0.143,412 4,413 2.326,414 1.386,415 1.042,416 0.579,417 0.286,418 0.305,419 0.258,420 9372,421 27971,422 2.088,423 37.2,424 3,425 11,427 2,429 1.698,430 1.94,431 3.435,432 0.267,434 1,436 72.891,437 1.695,438 3.36,439 4.134,440 5.066,441 5.269,442 5.269,443 2.894,444 4.31,445 4.731,446 3.598,447 1262.98,448 8.194,449 16281,452 1,453 233.329,454 1.596,455 4.673,456 0.217,457 0.007,458 0.091,459 0.053,460 0.037,461 0.031,462 0.02,463 0.011,464 0.012,465 0.011,466 0.489,467 0.33,468 0.584,469 134.329,470 0.086,471 0.106,472 0.198,473 -0.027,474 -0.141,475 0.061,476 0.24,477 0.022,478 0.052,479 -0.029,480 0.2,481 -0.016,482 0.021,483 -0.157,484 -0.099,485 -0.147,486 0.029,487 -0.136,488 -0.238,489 -0.09,490 -0.061,491 -0.012,492 -0.209,493 -0.051,494 0.038,495 -0.154,496 -0.112,497 -0.141,498 0.212,499 -0.079,500 -0.075,501 0.024,502 -0.054,503 0.034,504 -0.095,505 0.022,506 -0.199,507 0.103,508 -0.02,509 0.11,510 -0.167,511 0.086,512 -0.183,513 0.008,514 0.051,515 0.039,516 -0.189,517 0.028,518 4.769,519 5.423,520 0.704,521 22.623,522 1.018,523 1.108,524 2.872,525 8.248,526 0.716,527 3.434,528 3.807,529 4.078,530 4.331,531 4.585,532 4.625,533 4.762,534 4.852,535 4.844,536 4.913,537 6.58,538 0.692,539 380.45,540 3.434,541 5.004,542 5.866,543 6.765,544 7.648,545 8.548,546 9.44,547 10.341,548 11.236,549 12.138,550 4.7,551 1,552 1,556 4,557 11,560 1,561 3,562 21,566 43,567 24,568 3,569 30,571 46,572 20,573 18,574 7,575 11,576 1,577 4,578 7,580 1,583 19,584 1,585 3,586 1,587 3,588 1,590 1,592 1,593 16,594 6,595 2,596 7,597 1,599 2,600 0.5,601 4,604 1,605 3,606 2,608 2,609 1,611 1,614 27,615 1,616 2,623 9.3,624 3,625 1,626 13.917,627 8,628 5.736,629 2.389,630 4.071,631 1.535,632 1.042,633 4.381,634 11.686,635 3.795,636 4.508,637 5.13,638 5.768,639 6.393,640 6.758,641 7.254,642 7.677,643 7.882,644 8.197,645 1,646 44,647 10.257,649 4.776,650 8.009,651 18.66,653 15.695,655 2.509,656 67.75,658 1,659 164.795,660 146.316,661 34.171,663 78.965,665 5.807,666 140.509,667 243.761,668 34.171,669 8.825,670 17.888,671 126.329,672 74.163,673 22.575,674 9.672,675 164.795,677 164.795,678 174.68,679 78.965,680 5.807,682 164.795,683 78.965,684 42.996,685 131.684,686 5.807,688 164.795,689 113.136,690 146.316,691 5.807,692 164.795,693 27.445,694 113.064,695 34.171,696 78.965,697 164.795,698 113.136,699 146.316,700 0.597,701 0.347,702 0.18,703 0.104,704 23,705 10,706 0.087,707 4,708 2,709 1.211,710 3.878,711 234.743,712 0.211,713 19,714 124.382,715 1,716 17.588,717 6.726,718 3.416,719 3.07,720 113.136,721 18.902,724 5.727,725 1.21,726 34.171,727 424.248,728 43.5,729 -3.853,730 37.073,731 -0.557,732 43.774,733 47.661,734 0.312,735 0.619,736 0.762,737 0.934,738 0.971,739 0.971,740 5.039,741 1.443,742 5.9,743 4.452,744 4.489,745 5.196,746 1.072,747 6.774,748 4.456,749 6.313,750 1.34,751 7.508,752 3.69,753 4.29,754 5.33,756 7.991,757 4.194,758 7.684,759 1.117,760 9.229,761 3.062,762 6.192,763 7.618,764 1.045,765 11.035,766 6.097,767 9.098,768 1,769 11.019,770 2.543,771 6.804,772 8.567,774 13.073,775 6.626,776 10.547,777 0.498,778 12.853,779 2.531,780 8.237,781 10.385,782 1.019,783 15.714,784 8.051,785 12.022,786 0.282,787 14.719,788 1.187,789 9.19,790 11.683,792 18.047,793 8.925,794 13.517,795 -0.403,796 16.608,797 0.686,798 10.461,799 13.334,800 0.993,801 20.578,802 10.17,803 3.381,804 -0.571,805 18.514,806 -0.895,807 11.557,808 14.782,810 23.014,811 11.196,812 3.22,813 12.427,814 20.434,815 -1.447,816 12.772,817 16.373,818 0.967,819 25.516,820 12.374,821 2.726,822 11.138,823 22.363,824 4.809,825 13.927,826 17.885,828 27.991,829 13.467,830 2.392,831 8.566,832 24.301,833 4.701,834 15.127,835 19.454,836 0.942,837 30.489,838 14.622,839 2.197,840 6.945,841 26.246,842 3.667,843 16.306,844 20.993,846 32.979,847 15.745,848 1.765,849 6.519,850 28.196,851 3.392,852 17.504,853 22.555,854 0.917,855 35.479,856 16.895,857 1.593,858 5.326,859 30.151,860 3.154,861 18.695,862 24.107,864 37.978,865 18.032,866 8821,867 15417,868 19.879,869 30.807,870 46.149,871 47.569,872 47.098,873 46.004,874 45.909,875 65.562,876 1.96,877 138.143,878 45.317,879 5.75,880 6.683,881 6.977,882 5.346,883 5.381,884 7.809,885 1.96,886 19.665,887 5.222,888 13.053,889 1.538,890 1.586,891 1.57,892 1.533,893 1.53,894 2.185,895 0.065,896 4.605,897 1.511,898 4.2,899 4.202,900 4.734,901 4.123,902 7.717,903 4.13,904 4.066,905 4.047,906 4.169,907 4.051,908 7.429,909 3.97,910 3.743,911 3.771,912 3.726,913 3.659,914 6.999,915 3.657,916 3.655,917 3.658,918 3.669,919 3.58,920 5.183,921 3.505,922 3.348,923 3.358,924 3.317,925 3.145,926 4.705,927 3.175,928 3.129,929 3.207,930 2.936,931 2.98,932 4.518,933 2.955,934 2.993,935 3.041,936 2.904,937 2.888,938 4.278,939 2.879,940 2.977,941 3.015,942 2.872,943 2.769,944 4.116,945 2.787,946 0.162,947 0.156,948 0.243,949 0.143,950 0.113,951 4.848,952 0.16,953 4.683,954 0.033,955 7.297,956 0.414,957 4.302,958 0.107,959 3.381,960 4.809,961 0.98,962 12.427,963 3.222,964 1.998,965 1.986,966 2.07,967 2.059,968 1.231,969 2.08,970 1.967,971 1.968,972 2.024,973 2.027,974 1.198,975 2.049,976 1.83,977 1.817,978 1.929,979 1.958,980 0.993,981 1.946,982 1.51,983 1.529,984 1.544,985 1.725,986 0.732,987 1.74,988 1.22,989 1.207,990 1.39,991 1.46,992 0.486,993 1.46,994 1.135,995 1.075,996 1.231,997 1.346,998 0.347,999 1.361,1000 1.031,1001 0.995,1002 1.185,1003 1.186,1004 0.276,1005 1.189,1006 0.901,1007 0.856,1008 1.109,1009 1.123,1010 0.161,1011 1.139,1012 4.111,1013 5.468,1014 2.398,1015 7.018,1016 4.844,1017 8.651,1018 7.05,1019 10.326,1021 1.794,1024 4.384,1029 29.777,1030 72.891,1031 144.467,1032 177.766,1033 217.82,1034 226.574,1035 226.574,1036 53.849,1037 7.615,1038 88.41,1039 96.79,1040 23,1041 12.66,1042 4.644,1043 3.858,1044 40.386,1045 108,1046 91,1047 0.182,1048 184.474,1049 310.79,1050 441.877,1051 21976,1053 19.018,1054 0.704,1055 0.563,1056 19.268,1057 15.209,1058 12.937,1059 0.431,1060 0.324,1061 8.27,1062 11.75,1063 7.939,1064 6.6,1065 13.759,1066 9.724,1067 12.414,1068 0.282,1069 0.179,1070 13.738,1071 7.868,1072 10.302,1073 0.178,1074 0.095,1075 11.38,1076 5.483,1077 8.301,1078 0.111,1079 0.051,1080 9.209,1081 3.838,1082 7.119,1083 0.073,1084 0.028,1085 8.065,1086 2.701,1087 0.289,1088 89.111,1089 0.224,1090 25.997,1091 0.493,1092 148,1093 474.468,1094 199.274,1095 478.494,1096 649.71,1097 440,1098 176,1099 456.345,1100 234.117,1101 497.417,1102 726.56,1103 466,1104 5.553}