"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.005","C.024","C.025","C.026","CATS2D_00_DD","CATS2D_00_DP","CATS2D_00_PP","CATS2D_01_LL","CATS2D_02_AL","CATS2D_02_DL","CATS2D_02_LL","CATS2D_02_PL","CATS2D_03_AL","CATS2D_03_DL","CATS2D_03_LL","CATS2D_03_PL","CATS2D_04_AL","CATS2D_04_DL","CATS2D_04_LL","CATS2D_04_PL","CATS2D_05_AL","CATS2D_05_DL","CATS2D_05_LL","CATS2D_05_PL","CATS2D_06_AL","CATS2D_06_AP","CATS2D_06_DA","CATS2D_06_DL","CATS2D_06_LL","CATS2D_06_PL","CATS2D_07_AA","CATS2D_07_AL","CATS2D_07_AP","CATS2D_07_DA","CATS2D_07_DD","CATS2D_07_DL","CATS2D_07_DP","CATS2D_07_LL","CATS2D_07_PL","CATS2D_07_PP","CATS2D_08_AL","CATS2D_08_AP","CATS2D_08_DA","CATS2D_08_DD","CATS2D_08_DL","CATS2D_08_DP","CATS2D_08_LL","CATS2D_08_PL","CATS2D_08_PP","CATS2D_09_AL","CATS2D_09_AP","CATS2D_09_DA","CATS2D_09_DL","CATS2D_09_LL","CATS2D_09_PL","CENT","Chi0_AEA.bo.","Chi0_AEA.dm.","Chi0_AEA.ed.","Chi0_AEA.ri.","Chi0_EA","Chi0_EA.bo.","Chi0_EA.dm.","Chi0_EA.ed.","Chi0_EA.ri.","Chi1_AEA.bo.","Chi1_AEA.dm.","Chi1_AEA.ed.","Chi1_AEA.ri.","Chi1_EA","Chi1_EA.bo.","Chi1_EA.dm.","Chi1_EA.ed.","Chi1_EA.ri.","CIC0","CIC1","CIC2","CIC3","CIC4","CIC5","CID","Cl.089","CMC.50","CSI","DBI","D.Dtr05","D.Dtr06","DECC","DELS","Depressant.50","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.ed.","Eig01_EA.ri.","Eig02_AEA.bo.","Eig02_AEA.dm.","Eig02_AEA.ed.","Eig02_AEA.ri.","Eig02_EA","Eig02_EA.bo.","Eig02_EA.dm.","Eig02_EA.ed.","Eig02_EA.ri.","Eig03_AEA.bo.","Eig03_AEA.dm.","Eig03_AEA.ed.","Eig03_AEA.ri.","Eig03_EA","Eig03_EA.bo.","Eig03_EA.dm.","Eig03_EA.ed.","Eig03_EA.ri.","Eig04_AEA.bo.","Eig04_AEA.dm.","Eig04_AEA.ed.","Eig04_AEA.ri.","Eig04_EA","Eig04_EA.bo.","Eig04_EA.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.ed.","Eig13_EA.ri.","Eig14_AEA.bo.","Eig14_AEA.dm.","Eig14_AEA.ed.","Eig14_AEA.ri.","Eig14_EA","Eig14_EA.bo.","Eig14_EA.ed.","Eig14_EA.ri.","Eig15_AEA.bo.","Eig15_AEA.dm.","Eig15_AEA.ed.","Eig15_AEA.ri.","Eig15_EA","Eig15_EA.bo.","Eig15_EA.ed.","Eig15_EA.ri.","Eta_alpha","Eta_alpha_A","Eta_B","Eta_B_A","Eta_beta","Eta_beta_A","Eta_betaP","Eta_betaP_A","Eta_betaS","Eta_betaS_A","Eta_C","Eta_C_A","Eta_epsi","Eta_epsi_A","Eta_F","Eta_F_A","Eta_FL","Eta_FL_A","Eta_L","Eta_L_A","Eta_sh_p","Eta_sh_y","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.047","H.050","HDcpx","HNar","HVcpx","Hy","Hypertens.50","Hypnotic.50","Hypnotic.80","IAC","IC0","IC1","IC2","IC3","IC4","IC5","ICR","IDDE","IDDM","IDE","IDET","IDM","IDMT","Infective.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.069","NaaCH","NaasC","nAB","nArNH2","nArOH","nArOR","nArX","nAT","nBM","nBnz","nBO","nBR","nBT","nC","nCar","nCb.","nCbH","nCIC","nCIR","nCL","nCsp2","nCsp3","Neoplastic.50","nH","nHAcc","nHDon","nHet","nHM","nN","nO","nR06","NRS","NsBr","NsCH3","NsCl","nSK","NsNH2","NsOH","NssO","nX","O.","O.057","O.060","ON0","ON0V","ON1","ON1V","PCD","PCR","PDI","PHI","piID","piPC01","piPC02","piPC03","piPC04","piPC05","piPC06","piPC07","piPC08","piPC09","piPC10","PJI2","Pol","Psi_e_0","Psi_e_1","Psi_e_A","Psi_i_0","Psi_i_1","Psi_i_A","Psi_i_s","Psi_i_t","P_VSA_e_1","P_VSA_e_2","P_VSA_e_3","P_VSA_e_4","P_VSA_e_5","P_VSA_i_2","P_VSA_i_3","P_VSA_i_4","P_VSA_LogP_1","P_VSA_LogP_3","P_VSA_LogP_4","P_VSA_LogP_5","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_6","P_VSA_MR_7","P_VSA_MR_8","P_VSA_p_1","P_VSA_p_2","P_VSA_p_3","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","RDCHI","RDSQ","Rperim","S0K","S1K","S2K","S3K","SAacc","SaaCH","SaaN","SaaNH","SaasC","SAdon","SAtot","SCBO","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.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.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.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.ed.","SM09_EA.ri.","SM10_AEA.bo.","SM10_AEA.dm.","SM10_AEA.ed.","SM10_AEA.ri.","SM10_EA","SM10_EA.bo.","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.ed.","SM11_EA.ri.","SM12_AEA.bo.","SM12_AEA.dm.","SM12_AEA.ed.","SM12_AEA.ri.","SM12_EA","SM12_EA.bo.","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.ed.","SM13_EA.ri.","SM14_AEA.bo.","SM14_AEA.dm.","SM14_AEA.ed.","SM14_AEA.ri.","SM14_EA","SM14_EA.bo.","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.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.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.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.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","SRW06","SRW08","SRW10","SsBr","SsCH3","SsCl","SsNH2","SsOH","SssCH2","SssO","SsssCH","Sv","TIC0","TIC1","TIC2","TIC3","TIC4","TIC5","TIE","TPC","TPSA.NO.","TPSA.Tot.","TRS","TWC","Uc","Ui","Uindex","UNIP","VAR","Vindex","VvdwMG","VvdwZAZ","Vx","Wap","X.","X0","X0A","X0Av","X0sol","X0v","X1","X1A","X1Av","X1Kup","X1Mad","X1MulPer","X1Per","X1sol","X1v","X2","X2A","X2Av","X2sol","X2v","X3","X3A","X3Av","X3sol","X3v","X4","X4A","X4Av","X4sol","X4v","X5","X5A","X5Av","X5sol","X5v","Xindex","XMOD","Xt","Xu","Yindex","ZM1","ZM1Kup","ZM1Mad","ZM1MulPer","ZM1Per","ZM1V","ZM2","ZM2Kup","ZM2Mad","ZM2MulPer","ZM2Per","ZM2V","pXC50"
{1 1.571,2 9.316,3 0.653,4 0.427,5 72.305,6 7.204,7 0.55,8 3.67,9 3.799,10 3.191,11 3.158,12 4.821,13 3.145,14 4.168,15 4.345,16 3.473,17 3.509,18 5.234,19 3.468,20 4.362,21 4.564,22 3.421,23 3.583,24 5.501,25 3.499,26 4.413,27 4.648,28 3.317,29 3.539,30 5.496,31 3.429,32 4.375,33 4.644,34 3.304,35 3.44,36 5.479,37 3.334,38 4.211,39 4.45,40 3.121,41 3.288,42 5.345,43 3.195,44 4.068,45 4.332,46 2.914,47 3.158,48 5.081,49 3.025,50 3.899,51 4.176,52 2.867,53 2.979,54 4.879,55 2.879,56 0.04,57 0.523,58 7.701,59 3.076,60 9.586,61 4.2,62 0.161,63 0.779,64 13.834,65 5.071,66 20.796,67 6.967,68 0.257,69 0.863,70 17.523,71 6.103,72 46.139,73 8.519,74 0.268,75 0.864,76 19.102,77 6.355,78 44.802,79 9.075,80 0.266,81 0.813,82 18.836,83 5.954,84 44.861,85 8.956,86 0.288,87 0.692,88 15.854,89 4.637,90 41.651,91 6.841,92 0.255,93 0.597,94 13.784,95 4.421,96 35.256,97 6.672,98 0.169,99 0.498,100 11.714,101 3.659,102 21.234,103 5.597,104 11,105 26,106 0.289,107 0.683,108 0.834,109 0.854,110 0.854,111 0.854,112 3.008,113 0.911,114 -2,115 -2.05,116 -2.04,118 38.9,119 1,120 4,121 1,122 1,123 1,124 1,125 1,126 5,127 4,128 1,129 6,130 1,131 4,132 2,133 5,134 1,135 3,136 1,137 1,138 1,139 4,140 2,141 2,142 2,143 1,145 1,146 3,147 2,148 2,149 1,150 2,154 1,159 3,160 1,161 1,163 2,171 2,174 444,175 12.801,176 12.801,177 12.801,178 12.801,179 12.801,180 11.326,181 14.252,182 7.693,183 13.1,184 9.794,185 9.794,186 9.794,187 9.794,188 9.794,189 7.563,190 14.305,191 3.597,192 10.158,193 3.598,194 1.452,195 0.632,196 0.521,197 0.521,198 0.521,199 3.663,202 367,203 3.24,204 61.484,205 69.674,206 1.524,207 19.724,210 0.8,211 0.9,212 41.5,213 177,214 4.102,215 3.781,216 5.966,217 3.836,218 2.832,219 3.652,220 8.403,221 2.845,222 3.973,223 2.881,224 5.476,225 3.585,226 2.615,227 3.497,228 0.86,229 7.33,230 2.539,231 3.771,232 2.75,233 5.298,234 3.37,235 2.406,236 3.057,237 0.353,238 6.751,239 2.313,240 3.399,241 2.48,242 5.061,243 3.052,244 2.092,245 2.651,246 6.043,247 1.996,248 2.701,249 1.922,250 3.871,251 2.3,252 1.327,253 1.741,254 3.132,255 1.282,256 2.5,257 1.254,258 3.414,259 2,260 1,261 1.5,262 2.275,263 1,264 2.269,265 1.19,266 3.309,267 1.905,268 0.949,269 1.167,270 2.187,271 0.901,272 2.118,273 1,274 3,275 1.532,276 0.618,277 0.927,278 1.372,279 0.564,280 1.73,281 0.632,282 2.829,283 1.438,284 0.55,285 0.62,286 0.883,287 0.48,288 1.138,289 0.618,290 2.521,291 0.82,292 -0.17,293 -0.208,294 -0.34,295 -0.166,296 0.73,297 -0.096,298 2.059,299 0.513,300 -0.447,301 -0.505,302 -1.102,303 -0.426,304 0.546,305 -0.206,306 2,307 0.152,308 -0.852,309 -1.083,310 -1.908,311 -0.834,312 0.5,313 -0.671,314 1.481,316 -1,317 -1.5,318 -3,319 -1,320 -0.087,321 -1,322 1.248,323 -0.347,324 -1.326,325 -1.521,326 -3.049,327 -1.272,328 -0.118,329 -1.04,330 1.109,331 -0.525,332 -1.493,333 -1.804,334 -3.789,335 -1.413,336 8.867,337 0.467,338 0.4,339 0.021,340 24,341 1.263,342 12,343 0.632,344 12,345 0.632,346 12.766,347 0.672,348 21.133,349 0.587,350 15.86,351 0.835,352 5.039,353 0.265,354 4.146,355 0.218,356 0.139,357 0.282,358 0.869,359 1.3,360 0.845,361 1.117,362 0.743,363 0.985,364 1.03,365 1.065,366 0.938,367 1.023,368 0.778,369 0.974,370 1.127,371 1.089,372 1.149,373 1.157,374 1.262,375 1.162,376 1.104,377 1.037,378 1.108,379 1.107,380 1.365,381 1.116,382 0.743,383 0.951,384 0.803,385 0.945,386 1.03,387 0.895,388 1.282,389 0.984,390 1.155,391 0.996,392 1.542,393 1.042,394 0.672,395 0.986,396 0.937,397 0.99,398 0.85,399 1.005,400 0.656,401 0.911,402 0.684,403 0.834,404 0.411,405 0.774,406 4,407 0.038,408 1.778,409 0.847,410 0.977,411 0.458,412 0.314,413 0.187,414 0.058,415 0.061,416 3399,417 9792,418 1.995,419 47.2,420 8,421 3,422 1.598,423 1.869,424 3.218,425 1.148,428 1,429 56.573,430 1.571,431 3.718,432 4.538,433 4.649,434 4.649,435 4.649,436 2.695,437 3.827,438 4.219,439 3.348,440 572.533,441 7.16,442 5806.85,445 186.117,446 1.384,447 4.178,448 0.2,449 0.008,450 0.068,451 0.037,452 0.049,453 0.023,454 0.02,455 0.014,456 0.004,457 0.007,458 0.43,459 0.5,460 0.868,461 84.112,462 -0.091,463 -0.054,464 0.019,465 -0.011,466 -0.093,467 0.025,468 -0.09,469 0.047,470 -0.017,471 0.026,472 -0.068,473 0.018,474 -0.104,475 -0.062,476 -0.204,477 -0.139,478 -0.067,479 -0.182,480 -0.109,481 -0.078,482 -0.141,483 -0.121,484 -0.108,485 -0.138,486 0.12,487 -0.033,488 0.178,489 0.012,490 0.132,491 0.089,492 -0.13,493 -0.013,494 -0.158,495 -0.062,496 -0.149,497 -0.105,498 0.16,499 -0.066,500 0.031,501 -0.019,502 0.058,503 -0.014,504 0.167,505 -0.011,506 0.3,507 0.124,508 0.189,509 0.218,510 1.856,511 4.999,512 0.579,513 14.36,514 1.004,515 1.134,516 0.77,517 0.593,518 0.646,519 3.045,520 3.296,521 3.466,522 3.584,523 3.638,524 3.555,525 3.555,526 3.497,527 3.296,528 3.219,529 5.513,530 0.616,531 259.34,532 3.045,533 4.533,534 5.333,535 6.159,536 6.974,537 7.802,538 8.622,539 9.449,540 10.272,541 11.099,542 8.3,544 6,545 3,546 11,549 1,551 36,552 12,553 1,554 20,556 37,557 14,558 9,559 2,560 4,561 2,562 2,564 10,565 4,566 1,567 17,568 4,569 3,570 5,572 3,573 2,574 1,575 2,577 1,579 19,580 1,582 1,584 5.6,586 1,587 10.167,588 6.45,589 4.361,590 1.908,591 1.751,592 1.294,593 0.946,594 4.58,595 7.71,596 3.314,597 3.823,598 4.271,599 4.704,600 4.959,601 4.924,602 5.08,603 5.144,604 4.888,605 5.104,606 1,607 23,608 7,609 2.865,610 7.868,611 13.169,612 10.282,613 2.368,614 45,615 0.001,616 164.795,617 87.842,618 66.468,620 36.145,621 87.842,622 200.94,623 66.468,624 10.883,625 46.952,626 67.454,627 38.971,628 141.253,630 164.795,631 154.311,632 36.145,635 164.795,636 36.145,637 71.398,638 16.786,640 164.795,641 102.613,642 87.842,643 164.795,644 21.388,645 66.454,646 16.786,647 85.828,648 164.795,649 102.613,650 87.842,651 0.567,652 0.325,653 0.157,654 0.076,655 11,656 5,657 0.162,658 6,659 3.224,660 125.644,661 11,662 76.711,663 13.622,664 6.387,665 3.828,666 85.828,667 10.746,668 4.064,669 2.845,670 2.51,671 49.683,672 355.251,673 26.5,674 11.999,675 0.008,676 36.145,677 40.82,678 0.304,679 0.719,680 0.878,681 0.899,682 0.899,683 0.899,684 4.497,685 0.618,686 5.283,687 2.187,688 3.97,689 4.505,690 2.434,691 5.984,692 3.915,693 5.663,694 0.55,695 6.781,696 1.372,697 3.434,698 4.086,699 6.653,700 3.395,701 6.927,702 -0.17,703 8.371,704 0.883,705 5.468,706 6.558,707 3.6,708 9.646,709 5.382,710 8.224,711 -0.447,712 10.013,713 -0.34,714 5.74,715 6.94,716 11.073,717 5.665,718 9.547,719 -0.852,720 11.686,721 -1.102,722 7.203,723 8.838,724 5.067,725 13.55,726 7.103,727 10.886,728 -1,729 13.379,730 -1.908,731 7.838,732 9.587,733 15.296,734 7.748,735 12.237,736 -1.326,737 15.085,738 -3,739 9.059,740 11.226,741 6.641,742 17.575,743 8.958,744 2.832,745 -1.493,746 16.801,747 -3.049,748 9.875,749 12.174,750 19.482,751 9.783,752 2.615,753 8.403,754 18.525,755 -3.789,756 10.986,757 13.675,758 21.674,759 10.89,760 2.406,761 7.33,762 20.255,763 3.652,764 11.895,765 14.741,766 23.669,767 11.809,768 2.092,769 6.751,770 21.989,771 3.497,772 12.956,773 16.162,774 25.821,775 12.871,776 1.327,777 6.043,778 23.728,779 3.057,780 13.916,781 17.301,782 27.867,783 13.841,784 1,785 3.132,786 25.471,787 2.651,788 14.953,789 18.674,790 30.001,791 14.884,792 0.949,793 2.275,794 27.217,795 1.741,796 15.941,797 19.86,798 32.078,799 15.882,800 3428,801 5885,802 13.118,803 23.256,804 29.274,805 29.777,806 29.647,807 28.666,808 28.774,809 37.625,810 6.978,811 76.754,812 27.841,813 5,814 5.781,815 5.58,816 4.849,817 4.832,818 6.652,819 14.636,820 4.845,821 9.022,822 1.464,823 1.489,824 1.482,825 1.433,826 1.439,827 1.881,828 0.349,829 3.838,830 1.392,831 3.969,832 4.014,833 3.905,834 3.876,835 3.876,836 3.89,837 3.934,838 3.829,839 3.725,840 5.028,841 3.745,842 3.607,843 3.654,844 3.525,845 3.407,846 4.935,847 3.43,848 3.278,849 3.343,850 3.117,851 3.033,852 4.86,853 3.043,854 3.072,855 3.155,856 2.871,857 2.836,858 4.367,859 2.826,860 2.854,861 2.925,862 2.687,863 2.735,864 3.679,865 2.715,866 2.756,867 2.89,868 2.551,869 2.507,870 3.674,871 2.509,872 2.622,873 2.671,874 2.443,875 2.303,876 3.584,877 2.316,878 0.205,879 0.189,880 0.298,881 0.192,882 0.142,883 4.102,884 0.183,885 3.781,886 0.114,887 5.966,888 0.42,889 3.836,890 0.142,891 2.832,892 3.652,893 8.403,894 2.845,895 1.919,896 1.896,897 2.035,898 2.019,899 1.213,900 2.024,901 1.692,902 1.649,903 1.858,904 1.867,905 1.068,906 1.867,907 1.408,908 1.347,909 1.608,910 1.701,911 0.698,912 1.676,913 1.311,914 1.241,915 1.568,916 1.566,917 0.56,918 1.568,919 1.17,920 1.096,921 1.46,922 1.459,923 0.498,924 1.461,925 0.977,926 0.883,927 1.273,928 1.275,929 0.248,930 1.289,931 0.886,932 0.821,933 1.181,934 1.062,935 0.218,936 1.107,937 0.544,938 0.493,939 0.979,940 0.915,942 0.947,943 3.714,944 4.977,945 6.415,946 7.926,947 9.475,949 1.611,951 5.884,953 0.786,954 5.07,955 -0.523,956 22.181,957 56.573,958 133.853,959 163.362,960 167.362,961 167.362,962 167.362,963 34.599,964 5.958,965 81,966 81,967 11,968 11.675,969 3.7,970 2.907,971 33.864,972 62,973 63,974 0.267,975 141.087,976 238.98,977 336.013,978 2486,980 13.665,981 0.719,982 0.568,983 13.665,984 10.797,985 9.186,986 0.459,987 0.304,988 5.974,989 8.785,990 5.809,991 4.853,992 9.186,993 6.077,994 7.871,995 0.303,996 0.168,997 7.871,998 4.362,999 6.4,1000 0.206,1001 0.095,1002 6.4,1003 2.935,1004 4.638,1005 0.133,1006 0.052,1007 4.638,1008 1.817,1009 3.199,1010 0.086,1011 0.03,1012 3.199,1013 1.103,1014 0.422,1015 58.051,1016 0.276,1017 19.439,1018 0.715,1019 92,1020 288.761,1021 101.173,1022 276.411,1023 366.15,1024 258,1025 103,1026 254.971,1027 111.897,1028 260.119,1029 367.88,1030 242,1031 6}
{0 CHEMBL483667,1 1.682,2 8.611,3 1.418,4 2.011,5 73.464,6 9.631,7 0.579,8 3.554,9 3.681,10 3.334,11 3.145,12 4.699,13 3.104,14 4.04,15 4.205,16 3.726,17 3.527,18 5.122,19 3.448,20 4.29,21 4.495,22 3.686,23 3.594,24 5.427,25 3.458,26 4.284,27 4.523,28 3.438,29 3.454,30 5.38,31 3.319,32 4.18,33 4.435,34 3.428,35 3.316,36 5.362,37 3.223,38 4.057,39 4.272,40 3.317,41 3.259,42 5.261,43 3.139,44 3.959,45 4.23,46 3.382,47 3.113,48 4.962,49 2.958,50 3.648,51 3.911,52 3.293,53 2.932,54 4.595,55 2.774,56 0.04,57 0.468,58 4.445,59 2.703,60 8.905,61 3.45,62 0.092,63 0.72,64 9.473,65 4.842,66 16.004,67 6.178,68 0.241,69 0.813,70 23.123,71 6.779,72 46.095,73 8.277,74 0.254,75 0.778,76 25.048,77 6.643,78 43.626,79 8.244,80 0.246,81 0.712,82 16.917,83 5.49,84 40.654,85 7.251,86 0.249,87 0.634,88 19.839,89 4.904,90 38.02,91 5.887,92 0.208,93 0.553,94 17.397,95 4.799,96 31.253,97 6.207,98 0.112,99 0.421,100 16.39,101 3.676,102 14.497,103 4.812,104 10,105 25,106 0.317,107 0.708,108 0.837,109 0.86,110 0.86,111 0.86,112 2.959,113 1.018,114 -2.92,115 -2.92,116 -2.82,117 1,118 40.6,120 4,121 1,122 1,123 1,124 1,125 1,126 5,127 2,128 1,129 8,130 1,131 2,132 2,133 7,134 1,135 2,136 1,137 2,138 1,139 3,140 2,141 3,142 2,143 1,145 1,146 3,147 2,148 2,150 3,154 1,159 2,163 3,165 1,166 1,171 2,174 382,175 11.93,176 11.93,177 11.93,178 11.93,179 11.93,180 10.403,181 11.583,182 7.195,183 12.215,184 9.367,185 9.367,186 9.367,187 9.367,188 9.367,189 7.141,190 10.33,191 3.458,192 9.873,193 3.318,194 1.246,195 0.563,196 0.438,197 0.438,198 0.438,199 3.61,201 1,202 323,203 3.082,204 57.066,205 65.483,206 1.389,207 17.683,209 1,210 0.8,211 0.9,212 38.25,213 155,214 4.093,215 3.781,216 5.965,217 3.833,218 2.83,219 3.634,220 8.4,221 2.841,222 3.962,223 2.921,224 5.427,225 3.547,226 2.588,227 3.496,228 0.353,229 7.216,230 2.484,231 3.756,232 2.753,233 5.248,234 3.335,235 2.381,236 3.043,238 6.54,239 2.266,240 3.349,241 2.481,242 4.874,243 2.925,244 2.024,245 2.605,246 5.612,247 1.698,248 2.7,249 1.921,250 3.863,251 2.291,252 1.321,253 1.74,254 3.118,255 1.263,256 2.5,257 1.254,258 3.414,259 2,260 1,261 1.5,262 2.275,263 1,264 2.266,265 1,266 3.303,267 1.896,268 0.937,269 1.16,270 2.176,271 0.888,272 2.118,273 0.868,274 3,275 1.532,276 0.618,277 0.927,278 1.372,279 0.564,280 1.398,281 0.618,282 2.678,283 0.994,284 0.063,285 0.078,286 0.139,287 0.045,288 0.742,289 0.239,290 2.138,291 0.515,292 -0.438,293 -0.491,294 -1.096,295 -0.397,296 0.687,297 -0.152,298 2,299 0.245,300 -0.67,301 -0.838,302 -1.608,303 -0.49,304 0.5,305 -0.531,306 1.703,308 -1,309 -1.5,310 -3,311 -1,312 -0.036,313 -0.945,314 1.385,315 -0.339,316 -1.291,317 -1.509,318 -3.014,319 -1.104,320 -0.089,321 -1,322 1.124,323 -0.512,324 -1.366,325 -1.689,326 -3.141,327 -1.272,328 -0.118,329 -1.322,330 1.107,331 -0.675,332 -1.542,333 -1.897,334 -4.027,335 -1.495,336 9.367,337 0.52,338 0.438,339 0.024,340 22.5,341 1.25,342 11.5,343 0.639,344 11,345 0.611,346 13.64,347 0.758,348 18.833,349 0.589,350 13.011,351 0.723,352 4.356,353 0.242,354 4.292,355 0.238,356 0.221,357 0.267,358 0.804,359 1.149,360 0.495,361 0.745,362 0.722,363 0.814,364 0.726,365 1.098,366 0.583,367 0.861,368 0.702,369 0.961,370 1.13,371 1.034,372 0.964,373 1.061,374 1.244,375 1.14,376 1.246,377 0.954,378 0.786,379 0.953,380 1.416,381 1.023,382 0.99,383 0.893,384 0.324,385 0.653,386 1.164,387 0.754,388 1.494,389 1.034,390 0.993,391 1.049,392 1.687,393 1.129,394 0.809,395 0.885,396 0.582,397 0.788,398 0.914,399 0.851,400 0.503,401 0.989,402 1.126,403 0.968,404 0.223,405 0.854,406 4,407 0.038,408 1.778,409 0.847,410 0.937,411 0.396,412 0.314,413 0.155,414 0.034,415 0.061,416 2908,417 9727,418 1.994,419 43.8,420 5,421 3,422 1.582,423 1.862,424 3.123,425 1.197,428 1,429 53.836,430 1.682,431 3.754,432 4.438,433 4.563,434 4.563,435 4.563,436 2.558,437 3.281,438 4.143,439 3.243,440 496.237,441 7.009,442 4807.95,443 1,444 1,445 160,446 1.415,447 4.096,448 0.211,449 0.009,450 0.071,451 0.04,452 0.052,453 0.021,454 0.021,455 0.013,456 0.003,457 0.009,458 0.45,459 0.33,460 0.662,461 77.672,462 -0.119,463 0.033,464 -0.006,465 0.058,466 -0.103,467 0.055,468 -0.01,469 -0.004,470 0.011,471 -0.013,472 -0.05,473 -0.05,474 -0.099,475 -0.065,476 -0.084,477 -0.115,478 -0.069,479 -0.187,480 -0.117,481 -0.035,482 -0.054,483 -0.057,484 -0.094,485 -0.069,486 0.129,487 0.038,488 0.089,489 0.133,490 0.141,491 0.173,492 -0.195,493 -0.045,494 -0.128,495 -0.142,496 -0.208,497 -0.22,498 0.094,499 0.006,500 0.125,501 0.109,502 0.016,503 0.138,504 0.142,505 -0.063,506 0.07,507 0.086,508 0.138,509 0.186,510 1.836,511 4.949,512 0.611,513 12.469,514 1.005,515 1.126,516 1.687,517 2.846,518 0.7,519 2.996,520 3.258,521 3.401,522 3.526,523 3.584,524 3.434,525 3.434,526 3.367,527 3.135,528 3.135,529 5.184,530 0.655,531 308.2,532 2.996,533 4.489,534 5.283,535 6.111,536 6.923,537 7.75,538 8.567,539 9.393,540 10.213,541 11.038,542 9.4,544 6,545 3,546 11,550 1,551 32,552 12,553 1,554 19,555 1,556 33,557 13,558 9,559 2,560 4,561 2,562 2,564 10,565 3,566 1,567 14,568 3,569 3,570 5,571 1,572 3,573 1,574 1,575 2,576 1,579 18,580 1,583 1,584 3.1,587 9.667,588 5.426,589 4.028,590 1.736,591 1.744,592 1.299,593 0.971,594 4.421,595 7.585,596 3.277,597 3.801,598 4.229,599 4.663,600 4.91,601 4.793,602 4.933,603 5.019,604 4.78,605 5.062,606 0.833,607 21,608 6.635,609 2.743,610 7.847,611 12.531,612 9.957,613 2.347,614 42.25,615 0.001,616 129.482,617 74.771,618 112.422,620 25.145,621 120.725,622 154.627,623 66.468,625 46.952,626 67.454,627 25.783,628 105.94,629 45.954,630 129.482,631 141.239,632 25.145,634 45.954,635 129.482,636 25.145,637 58.327,638 16.786,639 45.954,640 129.482,641 91.613,642 120.725,643 129.482,644 19.2,645 55.571,646 62.74,647 74.828,648 129.482,649 91.613,650 120.725,651 0.574,652 0.317,653 0.153,654 0.077,655 11,656 5,657 0.152,658 5,659 3.12,660 116.924,661 11,662 71.059,663 13.153,664 6.05,665 3.866,666 74.828,667 11.018,668 4.063,669 2.847,670 2.784,671 49.683,672 341.82,673 25.5,674 11.949,675 0.028,676 32.163,677 36.037,678 0.336,679 0.751,680 0.888,681 0.913,682 0.913,683 0.913,684 4.463,685 0.618,686 5.242,687 2.176,688 3.932,689 4.483,690 2.295,691 5.938,692 3.847,693 5.639,694 0.063,695 6.737,696 1.372,697 3.434,698 4.086,699 6.581,700 3.288,701 6.904,702 -0.438,703 8.324,704 0.139,705 5.425,706 6.538,707 3.57,708 9.582,709 5.299,710 8.2,711 -0.67,712 9.961,713 -1.096,714 5.707,715 6.918,716 10.985,717 5.551,718 9.522,719 -1,720 11.63,721 -1.608,722 7.155,723 8.815,724 5.062,725 13.479,726 7.014,727 10.859,728 -1.291,729 13.319,730 -3,731 7.793,732 9.557,733 15.211,734 7.643,735 12.208,736 -1.366,737 15.022,738 -3.014,739 9.009,740 11.199,741 6.64,742 17.505,743 8.87,744 2.83,745 -1.542,746 16.736,747 -3.141,748 9.824,749 12.139,750 19.407,751 9.688,752 2.588,753 8.4,754 18.458,755 -4.027,756 10.934,757 13.643,758 21.61,759 10.806,760 2.381,761 7.216,762 20.187,763 3.634,764 11.843,765 14.7,766 23.605,767 11.723,768 2.024,769 6.54,770 21.922,771 3.496,772 12.903,773 16.124,774 25.765,775 12.792,776 1.321,777 5.612,778 23.661,779 3.043,780 13.863,781 17.255,782 27.813,783 13.762,784 1,785 3.118,786 25.405,787 2.605,788 14.9,789 18.629,790 29.952,791 14.808,792 0.937,793 2.275,794 27.153,795 1.74,796 15.888,797 19.807,798 32.032,799 15.808,800 2926,801 5420,802 12.425,803 22.392,804 28.123,805 28.56,806 28.175,807 27.655,808 27.519,809 36.364,810 5.258,811 73.697,812 26.098,813 4.99,814 5.781,815 5.58,816 4.846,817 4.83,818 6.634,819 14.632,820 4.841,821 8.574,822 1.48,823 1.503,824 1.483,825 1.456,826 1.448,827 1.914,828 0.277,829 3.879,830 1.374,831 3.965,832 4.012,833 6.88,834 3.9,835 3.884,836 3.886,837 3.929,838 3.88,839 3.73,840 5.027,841 3.747,842 3.599,843 3.648,844 3.773,845 3.42,846 4.935,847 3.433,848 3.156,849 3.225,850 3.481,851 3.033,852 4.736,853 2.998,854 2.854,855 2.925,856 2.936,857 2.735,858 3.832,859 2.715,860 2.775,861 2.892,862 2.687,863 2.628,864 3.674,865 2.598,866 2.678,867 2.722,868 2.537,869 2.36,870 3.663,871 2.352,872 2.395,873 2.509,874 2.416,875 2.132,876 3.485,877 2.129,878 0.215,879 0.199,880 0.314,881 0.202,882 0.149,883 4.093,884 0.191,885 3.781,886 0.12,887 5.965,888 0.442,889 3.833,890 0.15,891 2.83,892 3.634,893 8.4,894 2.841,895 1.92,896 1.898,897 2.018,898 2.002,899 1.215,900 2.015,901 1.691,902 1.649,903 1.85,904 1.853,905 1.071,906 1.86,907 1.404,908 1.341,909 1.589,910 1.699,911 0.692,912 1.674,913 1.297,914 1.231,915 1.47,916 1.508,917 0.504,918 1.5,919 1.017,920 0.945,921 1.273,922 1.293,923 0.251,924 1.303,925 0.886,926 0.821,927 1.181,928 1.062,929 0.218,930 1.107,931 0.596,932 0.553,933 0.979,934 0.916,936 0.948,937 0.514,938 0.356,939 0.792,940 0.801,942 0.813,943 3.664,944 4.934,945 6.372,946 7.88,947 9.425,948 3.359,951 5.873,953 0.831,955 -0.503,956 20.965,957 53.836,958 120.126,959 142,960 146,961 146,962 146,963 32.056,964 5.841,965 71.77,966 71.77,967 11,968 11.615,969 3.7,970 2.907,971 31.155,972 55,973 52,974 0.276,975 139.413,976 232.17,977 331.927,978 2119,979 3.1,980 12.958,981 0.72,982 0.631,983 13.958,984 11.352,985 8.648,986 0.455,987 0.339,988 5.641,989 7.831,990 5.467,991 4.526,992 9.225,993 6.446,994 7.702,995 0.308,996 0.202,997 8.519,998 5.056,999 5.992,1000 0.207,1001 0.111,1002 6.569,1003 3.218,1004 4.327,1005 0.131,1006 0.059,1007 4.66,1008 1.941,1009 3.101,1010 0.089,1011 0.039,1012 3.573,1013 1.368,1014 0.433,1015 62.079,1016 0.284,1017 18.443,1018 0.748,1019 88,1020 259.68,1021 160.165,1022 292.203,1023 377.15,1024 270,1025 98,1026 238.158,1027 132.504,1028 256.091,1029 363.64,1030 240,1031 7.398}
{0 CHEMBL483668,1 1.436,2 10.913,3 2.188,4 4.787,5 90.978,6 7.272,7 0.68,8 3.817,9 3.945,10 3.361,11 3.414,12 4.946,13 3.378,14 4.303,15 4.466,16 3.665,17 3.793,18 5.357,19 3.726,20 4.566,21 4.777,22 3.629,23 3.882,24 5.641,25 3.772,26 4.592,27 4.828,28 3.55,29 3.821,30 5.639,31 3.699,32 4.549,33 4.801,34 3.545,35 3.742,36 5.642,37 3.63,38 4.426,39 4.664,40 3.34,41 3.617,42 5.5,43 3.493,44 4.299,45 4.573,46 3.104,47 3.461,48 5.183,49 3.309,50 4.083,51 4.341,52 3.121,53 3.314,54 5.056,55 3.205,56 0.041,57 0.599,58 8.52,59 3.687,60 9.311,61 4.957,62 0.094,63 0.942,64 14.66,65 6.29,66 14.95,67 8.541,68 0.217,69 1.128,70 20.857,71 8.268,72 43.939,73 11.33,74 0.217,75 1.132,76 22.211,77 8.504,78 43.345,79 11.706,80 0.245,81 1.081,82 21.67,83 8.045,84 45.729,85 11.316,86 0.236,87 0.961,88 18.939,89 6.793,90 41.101,91 9.472,92 0.144,93 0.826,94 17.119,95 6.417,96 27.206,97 9.183,98 0.083,99 0.682,100 13.396,101 5.112,102 17.564,103 7.32,104 5,105 33,106 0.25,107 0.587,108 0.727,109 0.812,110 0.848,111 0.848,112 3.187,113 0.915,114 -3.51,115 -3.48,116 -3.32,118 45.2,120 9,121 3,123 1,124 1,125 1,126 14,127 2,128 1,129 18,130 1,131 2,132 2,133 17,134 1,135 2,136 1,137 12,138 1,139 3,140 2,141 11,142 2,143 2,145 1,146 3,147 8,148 2,150 3,154 2,156 4,157 1,159 4,163 3,165 2,166 1,168 3,171 4,172 2,173 2,174 732,175 15.706,176 15.706,177 15.706,178 15.706,179 15.706,180 13.543,181 9.939,182 9.547,183 15.827,184 12.355,185 12.355,186 12.355,187 12.355,188 12.355,189 9.207,190 9.654,191 4.572,192 12.528,193 3.957,194 2.023,195 1.221,196 0.732,197 0.524,198 0.524,199 3.869,201 1,202 540,203 3.162,204 76.02,205 167.95,206 1.837,207 17.842,208 1,209 1,210 0.6,211 0.87,212 48.5,213 251,214 4.25,215 3.781,216 6.144,217 3.892,218 2.889,219 3.892,220 9.06,221 2.897,222 4.038,223 2.885,224 5.961,225 3.792,226 2.791,227 3.502,228 0.353,229 8.382,230 2.796,231 3.87,232 2.754,233 5.386,234 3.466,235 2.491,236 3.347,238 7.108,239 2.429,240 3.644,241 2.532,242 5.193,243 3.246,244 2.257,245 2.964,246 6.357,247 2.225,248 3.241,249 1.928,250 4.448,251 2.802,252 1.804,253 2.538,254 4.51,255 1.8,256 2.714,257 1.835,258 3.867,259 2.319,260 1.34,261 1.768,262 3.139,263 1.305,264 2.624,265 1.254,266 3.499,267 2.142,268 1.153,269 1.673,270 2.679,271 1.139,272 2.5,273 1.208,274 3.414,275 2,276 1,277 1.5,278 2.275,279 1,280 2.5,281 1,282 3.298,283 2,284 1,285 1.5,286 2.149,287 1,288 2.26,289 1,290 3.247,291 1.885,292 0.914,293 1.147,294 2.136,295 0.882,296 2.118,297 0.638,298 3,299 1.532,300 0.618,301 0.927,302 1.372,303 0.564,304 1.322,305 0.618,306 2.703,307 0.972,308 -0.054,309 -0.07,310 -0.131,311 -0.055,312 0.777,313 -0.121,314 2.352,315 0.516,316 -0.441,317 -0.498,318 -1.099,319 -0.421,320 0.724,321 -0.257,322 2.033,323 0.376,324 -0.65,325 -0.867,326 -1.528,327 -0.662,328 0.5,329 -0.675,330 2,331 0.024,332 -1,333 -1.417,334 -2.271,335 -1,336 11.033,337 0.48,338 0.452,339 0.02,340 31.5,341 1.37,342 17.5,343 0.761,344 14,345 0.609,346 15.339,347 0.667,348 23.767,349 0.566,350 21.25,351 0.924,352 6.428,353 0.279,354 4.793,355 0.208,356 0.066,357 0.272,358 0.818,359 1.065,360 0.835,361 0.919,362 0.728,363 0.876,364 0.735,365 1.069,366 0.958,367 1.075,368 0.722,369 1.044,370 1.066,371 1.001,372 1.109,373 1.084,374 1.186,375 1.104,376 1.182,377 0.966,378 1.067,379 1.042,380 1.32,381 1.05,382 0.956,383 0.915,384 0.885,385 0.935,386 1.066,387 0.912,388 1.301,389 0.999,390 1.17,391 1.057,392 1.457,393 1.094,394 0.887,395 0.904,396 0.946,397 0.93,398 0.915,399 0.944,400 0.711,401 0.977,402 0.753,403 0.908,404 0.6,405 0.846,406 4,407 0.087,408 2.222,409 1.035,410 0.888,411 0.59,412 0.392,413 0.202,414 0.14,415 0.105,416 6412,417 16150,418 2.093,419 45.2,420 10,421 3,422 1.651,423 2,424 3.433,425 0.946,426 1,428 1,429 60.301,430 1.436,431 3.37,432 4.171,433 4.66,434 4.869,435 4.869,436 2.935,437 4.002,438 4.495,439 3.597,440 910.103,441 7.706,442 10795.6,443 1,444 1,445 226.477,446 1.214,447 4.473,448 0.16,449 0.007,450 0.067,451 0.034,452 0.033,453 0.022,454 0.019,455 0.012,456 0.008,457 0.007,458 0.369,459 0.33,460 0.503,461 109.999,462 -0.086,463 0.066,464 0.018,465 0.078,466 -0.094,467 0.066,468 0.004,469 -0.001,470 -0.075,471 -0.077,472 -0.068,473 -0.083,474 -0.037,475 -0.022,476 -0.157,477 -0.092,478 -0.039,479 -0.131,480 -0.063,481 -0.018,482 -0.082,483 -0.057,484 -0.064,485 -0.071,486 0.146,487 0.029,488 0.119,489 0.042,490 0.125,491 0.07,492 -0.062,493 -0.024,494 -0.171,495 -0.099,496 -0.121,497 -0.138,498 -0.032,499 0.01,500 0.054,501 0.058,502 -0.046,503 0.064,504 0.094,505 -0.039,506 0.232,507 0.082,508 0.15,509 0.159,510 1.855,511 5.231,512 0.739,513 21.558,514 0.993,515 1.12,516 2.276,517 5.179,518 0.68,519 3.258,520 3.526,521 3.738,522 3.912,523 4.025,524 3.97,525 4.078,526 4.111,527 4.078,528 4.078,529 6.498,530 0.643,531 305.41,532 3.258,533 4.762,534 5.58,535 6.418,536 7.249,537 8.09,538 8.925,539 9.766,540 10.604,541 11.446,542 7.1,544 11,545 4,546 17,551 42,552 18,553 2,554 25,556 44,557 19,558 15,559 3,560 9,561 3,562 3,564 16,565 3,566 1,567 19,568 3,569 3,570 4,572 3,573 1,574 2,575 3,579 23,580 1,584 2.4,587 11.5,588 7.2,589 5.139,590 2.374,591 2.75,592 1.412,593 0.996,594 4.769,595 9.421,596 3.57,597 4.115,598 4.629,599 5.136,600 5.53,601 5.626,602 6.034,603 6.33,604 6.511,605 6.75,606 1,607 30,608 8.491,609 3.564,610 7.725,611 16.238,612 13.185,613 2.225,614 51.167,616 188.338,617 125.468,618 66.468,620 25.145,621 125.468,622 213.483,623 66.468,625 94.334,626 67.454,627 29.099,628 164.795,630 188.338,631 191.936,632 25.145,635 188.338,636 25.145,637 109.024,638 16.786,640 188.338,641 91.613,642 125.468,643 188.338,644 22.516,645 102.952,646 16.786,647 74.828,648 188.338,649 91.613,650 125.468,651 0.57,652 0.326,653 0.168,654 0.084,655 15,656 6,657 0.136,658 6,659 3.696,660 171.239,661 17,662 96.042,663 15.354,664 7.144,665 4.008,666 74.828,667 21.576,668 4.103,669 2.868,670 4.098,671 49.683,672 405.419,673 34.5,674 12.231,675 0.028,676 41.702,677 47.026,678 0.266,679 0.625,680 0.774,681 0.864,682 0.903,683 0.903,684 4.756,685 1,686 5.525,687 2.679,688 4.205,689 4.8,690 2.295,691 6.248,692 4.184,693 5.931,694 1,695 7.029,696 2.275,697 3.611,698 4.29,699 6.952,700 3.611,701 7.197,702 0.914,703 8.631,704 2.149,705 5.714,706 6.889,707 3.57,708 10.005,709 5.686,710 8.497,711 0.618,712 10.292,713 2.136,714 5.969,715 7.218,716 11.54,717 5.958,718 9.827,719 -0.054,720 11.99,721 1.372,722 7.483,723 9.218,724 5.062,725 14.059,726 7.455,727 11.177,728 -0.441,729 13.713,730 -0.131,731 8.128,732 9.956,733 15.935,734 8.114,735 12.543,736 -0.65,737 15.453,738 -1.099,739 9.387,740 11.669,741 6.64,742 18.255,743 9.365,744 2.889,745 -1,746 17.206,747 -1.528,748 10.225,749 12.637,750 20.287,751 10.214,752 2.791,753 9.06,754 18.967,755 -2.271,756 11.366,757 14.196,758 22.527,759 11.352,760 2.491,761 8.382,762 20.736,763 3.892,764 12.303,765 15.302,766 24.635,767 12.298,768 2.257,769 7.108,770 22.51,771 3.502,772 13.389,773 16.772,774 26.841,775 13.385,776 1.804,777 6.357,778 24.288,779 3.347,780 14.377,781 17.965,782 28.988,783 14.38,784 1.34,785 4.51,786 26.07,787 2.964,788 15.439,789 19.383,790 31.181,791 15.444,792 1.153,793 3.139,794 27.855,795 2.538,796 16.453,797 20.633,798 33.347,799 16.464,800 6130,801 9813,802 16.989,803 28.563,804 37.159,805 37.567,806 36.959,807 36.419,808 36.514,809 49.516,810 5.258,811 98.332,812 36.072,813 5.149,814 5.781,815 5.946,816 4.905,817 4.889,818 6.892,819 15.315,820 4.897,821 8.23,822 1.486,823 1.503,824 1.478,825 1.457,826 1.461,827 1.981,828 0.21,829 3.933,830 1.443,831 4.021,832 4.05,833 3.961,834 3.97,835 3.964,836 3.917,837 3.975,838 3.855,839 3.756,840 5.028,841 3.769,842 3.782,843 3.817,844 3.705,845 3.694,846 4.935,847 3.696,848 3.58,849 3.632,850 3.494,851 3.396,852 4.832,853 3.415,854 3.153,855 3.223,856 3.01,857 3.002,858 4.598,859 2.995,860 2.854,861 2.925,862 2.737,863 2.735,864 3.783,865 2.715,866 2.854,867 2.925,868 2.687,869 2.735,870 3.674,871 2.715,872 2.848,873 2.906,874 2.687,875 2.698,876 3.674,877 2.696,878 0.17,879 0.151,880 0.246,881 0.156,882 0.116,883 4.25,884 0.156,885 3.781,886 0.091,887 6.144,888 0.362,889 3.892,890 0.116,891 2.889,892 3.892,893 9.06,894 2.897,895 2,896 1.979,897 2.102,898 2.065,899 1.247,900 2.078,901 1.805,902 1.774,903 1.947,904 1.926,905 1.129,906 1.933,907 1.675,908 1.632,909 1.841,910 1.819,911 0.995,912 1.832,913 1.402,914 1.335,915 1.59,916 1.698,917 0.681,918 1.673,919 1.294,920 1.229,921 1.481,922 1.506,923 0.505,924 1.497,925 1.038,926 0.972,927 1.284,928 1.3,929 0.266,930 1.308,931 0.886,932 0.821,933 1.181,934 1.062,935 0.218,936 1.107,937 0.886,938 0.821,939 1.181,940 1.062,941 0.218,942 1.107,943 3.932,944 5.209,945 6.671,946 8.208,947 9.785,951 5.974,953 0.811,955 -0.521,956 26.993,957 60.301,958 141.53,959 175.193,960 195.722,961 204.477,962 204.477,963 37.944,964 6.671,965 71.77,966 71.77,967 17,968 12.01,969 4.248,970 3.392,971 37.119,972 90,973 77,974 0.2,975 168.877,976 285.51,977 403.821,978 6689,980 16.071,981 0.699,982 0.555,983 16.071,984 12.775,985 11.22,986 0.449,987 0.305,988 7.564,989 10.976,990 7.389,991 6.148,992 11.22,993 7.625,994 9.755,995 0.296,996 0.169,997 9.755,998 5.577,999 8.064,1000 0.197,1001 0.094,1002 8.064,1003 3.837,1004 6.263,1005 0.128,1006 0.051,1007 6.263,1008 2.52,1009 4.62,1010 0.084,1011 0.029,1012 4.62,1013 1.621,1014 0.321,1015 69.142,1016 0.243,1017 23.155,1018 0.525,1019 116,1020 301.026,1021 122.295,1022 301.626,1023 410.56,1024 282,1025 132,1026 296.425,1027 138.24,1028 305.708,1029 436.76,1030 288,1031 7.398}
{0 CHEMBL500316,1 1.517,2 7.882,3 0.67,4 0.448,5 65.841,6 7.166,7 0.611,8 3.547,9 3.685,10 3.067,11 3.085,12 4.687,13 3.057,14 4.032,15 4.21,16 3.345,17 3.445,18 5.092,19 3.381,20 4.278,21 4.503,22 3.245,23 3.486,24 5.385,25 3.373,26 4.275,27 4.529,28 3.154,29 3.376,30 5.352,31 3.26,32 4.177,33 4.437,34 3.189,35 3.266,36 5.356,37 3.181,38 4.046,39 4.28,40 2.991,41 3.163,42 5.242,43 3.069,44 3.948,45 4.235,46 2.647,47 3.022,48 4.871,49 2.863,50 3.629,51 3.922,52 2.497,53 2.776,54 4.494,55 2.636,56 0.031,57 0.478,58 6.755,59 2.697,60 8.63,61 3.766,62 0.078,63 0.726,64 11.632,65 4.591,66 14.987,67 6.444,68 0.202,69 0.804,70 16.217,71 5.715,72 43.649,73 8.147,74 0.206,75 0.76,76 16.821,77 5.537,78 41.079,79 7.974,80 0.219,81 0.693,82 15.34,83 4.805,84 40.065,85 7.09,86 0.212,87 0.62,88 13.188,89 3.95,90 37.892,91 5.784,92 0.146,93 0.538,94 12.326,95 3.98,96 28.772,97 5.995,98 0.071,99 0.413,100 8.712,101 2.887,102 13.537,103 4.504,104 5,105 23,106 0.286,107 0.662,108 0.799,109 0.844,110 0.86,111 0.86,112 2.906,113 0.926,114 -2.26,115 -2.3,116 -2.26,118 40.6,120 5,121 1,123 1,124 1,125 1,126 7,127 2,128 1,129 8,130 1,131 2,132 2,133 6,134 1,135 2,136 1,137 2,138 1,139 3,140 2,141 2,142 2,143 2,145 1,146 3,147 2,148 2,150 2,154 2,156 1,157 1,159 2,163 2,168 1,171 2,174 325,175 11.483,176 11.483,177 11.483,178 11.483,179 11.483,180 9.98,181 9.939,182 7.109,183 11.603,184 8.901,185 8.901,186 8.901,187 8.901,188 8.901,189 6.736,190 9.654,191 3.422,192 9.073,193 3.483,194 1.488,195 0.761,196 0.524,197 0.438,198 0.438,199 3.559,202 281,203 3,204 52.694,205 61.617,206 1.315,207 16.264,210 0.8,211 0.9,212 36.5,213 134,214 4.066,215 3.781,216 5.964,217 3.829,218 2.823,219 3.519,220 8.394,221 2.84,222 3.911,223 2.767,224 5.392,225 3.505,226 2.527,227 3.464,228 0.353,229 7.13,230 2.472,231 3.674,232 2.611,233 5.197,234 3.28,235 2.294,236 2.958,238 6.369,239 2.252,240 2.902,241 1.926,242 3.919,243 2.508,244 1.516,245 2.056,246 3.38,247 1.501,248 2.684,249 1.56,250 3.538,251 2.242,252 1.267,253 1.724,254 2.824,255 1.229,256 2.5,257 1.253,258 3.267,259 2,260 1,261 1.5,262 2.136,263 1,264 2.256,265 1,266 3.247,267 1.88,268 0.908,269 1.139,270 2.11,271 0.876,272 2.118,273 0.618,274 3,275 1.532,276 0.618,277 0.927,278 1.372,279 0.564,280 1.177,281 0.581,282 2.602,283 0.824,284 -0.21,285 -0.268,286 -0.506,287 -0.215,288 0.73,289 -0.14,290 2.061,291 0.512,292 -0.451,293 -0.516,294 -1.108,295 -0.432,296 0.5,297 -0.405,298 1.555,299 0.04,300 -1,301 -1.378,302 -2.254,303 -1,304 0.475,305 -0.874,306 1.463,308 -1,309 -1.5,310 -2.347,311 -1.033,312 -0.087,313 -1,314 1.217,315 -0.36,316 -1.332,317 -1.547,318 -3.055,319 -1.272,320 -0.118,321 -1.305,322 1.109,323 -0.543,324 -1.524,325 -1.896,326 -3.985,327 -1.495,328 -0.219,329 -1.452,330 1,331 -0.682,332 -1.618,333 -2.166,334 -4.372,335 -1.522,336 8.033,337 0.473,338 0.332,339 0.02,340 22,341 1.294,342 11.5,343 0.676,344 10.5,345 0.618,346 10.659,347 0.627,348 18.367,349 0.574,350 13.533,351 0.796,352 4.555,353 0.268,354 3.699,355 0.218,356 0.091,357 0.249,358 0.838,359 1.198,360 0.858,361 0.999,362 0.725,363 0.929,364 0.742,365 1.156,366 0.968,367 1.153,368 0.72,369 1.098,370 1.105,371 1.051,372 1.146,373 1.142,374 1.236,375 1.156,376 1.257,377 0.949,378 1.039,379 1.005,380 1.396,381 1.004,382 1.07,383 0.919,384 0.829,385 0.884,386 1.175,387 0.838,388 1.497,389 1.028,390 1.223,391 1.049,392 1.639,393 1.091,394 1.02,395 0.897,396 1,397 0.889,398 1.027,399 0.939,400 0.503,401 0.952,402 0.783,403 0.859,404 0.275,405 0.85,406 3,407 0.005,408 1.333,409 0.785,410 0.746,411 0.34,412 0.234,413 0.093,414 0.017,415 0.021,416 2493,417 6746,418 2.028,419 46.9,420 6,421 3,422 1.566,423 1.925,424 3.022,425 1.193,428 1,429 48.536,430 1.517,431 3.512,432 4.239,433 4.476,434 4.563,435 4.563,436 2.498,437 3.617,438 4.062,439 3.14,440 426.977,441 6.848,442 3965.14,445 160,446 1.261,447 4.03,448 0.167,449 0.002,450 0.058,451 0.041,452 0.044,453 0.019,454 0.017,455 0.009,456 0.002,457 0.003,458 0.362,459 0.5,460 0.604,461 71.46,462 -0.109,463 0.019,464 0.005,465 0.061,466 -0.095,467 0.056,468 -0.001,469 -0.039,470 -0.08,471 -0.115,472 -0.066,473 -0.109,474 -0.05,475 -0.076,476 -0.19,477 -0.151,478 -0.055,479 -0.185,480 -0.076,481 -0.035,482 -0.041,483 -0.046,484 -0.067,485 -0.043,486 0.144,487 0.002,488 0.186,489 0.054,490 0.143,491 0.114,492 -0.123,493 -0.044,494 -0.219,495 -0.126,496 -0.14,497 -0.175,498 -0.111,499 -0.017,500 -0.01,501 0.065,502 -0.104,503 0.041,504 0.049,505 -0.033,506 0.176,507 0.103,508 0.063,509 0.15,510 1.821,511 4.876,512 0.647,513 10.727,514 0.998,515 1.131,516 1.026,517 1.053,518 0.658,519 2.944,520 3.178,521 3.332,522 3.466,523 3.466,524 3.296,525 3.296,526 3.219,527 3.045,528 2.944,529 4.895,530 0.623,531 229.31,532 2.944,533 4.419,534 5.209,535 6.028,536 6.834,537 7.655,538 8.466,539 9.287,540 10.1,541 10.921,542 9.4,544 7,545 2,546 11,551 32,552 12,553 1,554 18,556 33,557 13,558 9,559 1,560 5,561 2,562 2,564 10,565 3,567 15,568 3,569 3,570 4,572 3,573 1,574 1,575 2,579 17,580 1,584 3.1,587 8.833,588 5.367,589 3.861,590 1.756,591 1.733,592 1.303,593 0.964,594 3.809,595 7.443,596 3.239,597 3.732,598 4.161,599 4.597,600 4.778,601 4.592,602 4.775,603 4.925,604 4.722,605 4.925,606 1,607 19,608 6.271,609 2.59,610 7.843,611 11.86,612 9.394,613 2.343,614 39.833,615 0.002,616 141.253,617 81.192,618 66.468,620 25.145,621 81.192,622 166.398,623 66.468,625 56.429,626 67.454,627 22.728,628 117.711,630 141.253,631 147.66,632 25.145,635 141.253,636 25.145,637 64.748,638 16.786,640 141.253,641 91.613,642 81.192,643 141.253,644 16.145,645 65.047,646 16.786,647 74.828,648 141.253,649 91.613,650 81.192,651 0.563,652 0.315,653 0.159,654 0.075,655 10,656 4,657 0.152,658 5,659 3.054,660 107.327,661 11,662 65.487,663 11.711,664 5.529,665 3.346,666 74.828,667 12.971,668 4.058,669 2.846,670 1.814,671 49.683,672 314.059,673 24.5,674 11.876,675 0.041,676 31.934,677 36.196,678 0.303,679 0.702,680 0.848,681 0.895,682 0.913,683 0.913,684 4.404,685 0.618,686 5.142,687 2.11,688 3.85,689 4.413,690 2.295,691 5.82,692 3.821,693 5.557,694 -0.21,695 6.619,696 1.372,697 3.219,698 3.829,699 6.418,700 3.219,701 6.804,702 -0.451,703 8.194,704 -0.506,705 5.313,706 6.428,707 3.57,708 9.464,709 5.271,710 8.084,711 -1,712 9.827,713 -1.108,714 5.525,715 6.673,716 10.879,717 5.508,718 9.393,719 -1,720 11.497,721 -2.254,722 7.033,723 8.671,724 5.062,725 13.384,726 6.989,727 10.72,728 -1.332,729 13.191,730 -2.347,731 7.637,732 9.31,733 15.137,734 7.614,735 12.061,736 -1.524,737 14.901,738 -3.055,739 8.884,740 11.019,741 6.64,742 17.433,743 8.848,744 2.823,745 -1.618,746 16.624,747 -3.985,748 9.684,749 11.873,750 19.35,751 9.665,752 2.527,753 8.394,754 18.354,755 -4.372,756 10.811,757 13.423,758 21.554,759 10.787,760 2.294,761 7.13,762 20.092,763 3.519,764 11.713,765 14.406,766 23.559,767 11.703,768 1.516,769 6.369,770 21.834,771 3.464,772 12.782,773 15.86,774 25.72,775 12.774,776 1.267,777 3.38,778 23.581,779 2.958,780 13.739,781 16.925,782 27.775,783 13.744,784 1,785 2.824,786 25.332,787 2.056,788 14.782,789 18.316,790 29.916,791 14.791,792 0.908,793 2.136,794 27.086,795 1.724,796 15.77,797 19.436,798 31.999,799 15.791,800 2496,801 4167,802 12.019,803 21.04,804 26.446,805 26.677,806 26.251,807 25.819,808 25.909,809 34.574,810 5.258,811 67.43,812 25.468,813 4.962,814 5.781,815 5.766,816 4.839,817 4.823,818 6.519,819 14.624,820 4.84,821 6.439,822 1.469,823 1.482,824 1.458,825 1.434,826 1.439,827 1.921,828 0.292,829 3.746,830 1.415,831 3.964,832 4.012,833 3.894,834 3.875,835 3.87,836 3.884,837 3.931,838 3.816,839 3.725,840 5.027,841 3.744,842 3.597,843 3.65,844 3.51,845 3.404,846 4.935,847 3.424,848 3.151,849 3.228,850 2.988,851 2.974,852 4.744,853 2.966,854 2.854,855 2.925,856 2.687,857 2.735,858 3.762,859 2.715,860 2.771,861 2.893,862 2.617,863 2.549,864 3.674,865 2.555,866 2.668,867 2.732,868 2.461,869 2.323,870 3.657,871 2.333,872 2.395,873 2.509,874 2.207,875 2.132,876 3.48,877 2.129,878 0.226,879 0.21,880 0.331,881 0.213,882 0.157,883 4.066,884 0.195,885 3.781,886 0.126,887 5.964,888 0.466,889 3.829,890 0.158,891 2.823,892 3.519,893 8.394,894 2.84,895 1.924,896 1.896,897 2.052,898 2.015,899 1.212,900 2.028,901 1.692,902 1.648,903 1.862,904 1.862,905 1.068,906 1.866,907 1.405,908 1.34,909 1.595,910 1.7,911 0.695,912 1.674,913 1.299,914 1.23,915 1.497,916 1.517,917 0.505,918 1.51,919 1.022,920 0.941,921 1.288,922 1.307,923 0.255,924 1.315,925 0.886,926 0.821,927 1.181,928 1.062,929 0.218,930 1.107,931 0.61,932 0.545,933 0.98,934 0.931,935 0.011,936 0.954,937 0.514,938 0.356,939 0.93,940 0.853,942 0.876,943 3.611,944 4.86,945 6.282,946 7.777,947 9.308,951 5.853,953 0.863,955 -0.487,956 19.94,957 48.536,958 112.374,959 135.635,960 143.245,961 146,962 146,963 28.501,964 5.71,965 71.77,966 71.77,967 11,968 11.502,969 3.7,970 2.907,971 28.537,972 49,973 41,974 0.283,975 127.499,976 212.89,977 302.857,978 1794,980 12.088,981 0.711,982 0.557,983 12.088,984 9.466,985 8.254,986 0.459,987 0.309,988 5.493,989 8.01,990 5.373,991 4.478,992 8.254,993 5.554,994 7.08,995 0.308,996 0.174,997 7.08,998 4,999 5.581,1000 0.207,1001 0.097,1002 5.581,1003 2.619,1004 4.185,1005 0.135,1006 0.054,1007 4.185,1008 1.67,1009 2.81,1010 0.091,1011 0.032,1012 2.81,1013 0.993,1014 0.442,1015 51.344,1016 0.288,1017 17.482,1018 0.777,1019 82,1020 233.026,1021 88.295,1022 230.11,1023 305.8,1024 214,1025 91,1026 214.425,1027 97.24,1028 219.581,1029 310.38,1030 206,1031 7}
{0 CHEMBL519986,1 1.682,2 8.611,3 1.334,4 1.78,5 70.646,6 8.242,7 0.579,8 3.556,9 3.683,10 3.192,11 3.123,12 4.719,13 3.095,14 4.043,15 4.208,16 3.53,17 3.498,18 5.154,19 3.435,20 4.295,21 4.501,22 3.462,23 3.556,24 5.462,25 3.442,26 4.288,27 4.527,28 3.288,29 3.427,30 5.402,31 3.308,32 4.182,33 4.436,34 3.301,35 3.298,36 5.372,37 3.215,38 4.062,39 4.277,40 3.147,41 3.225,42 5.287,43 3.126,44 3.963,45 4.233,46 3.035,47 3.081,48 5.039,49 2.941,50 3.656,51 3.918,52 2.923,53 2.877,54 4.681,55 2.749,56 0.048,57 0.468,58 5.793,59 2.645,60 9.622,61 3.463,62 0.105,63 0.71,64 10.877,65 4.64,66 17.834,67 6.135,68 0.273,69 0.784,70 18.308,71 6.142,72 50.89,73 8.05,74 0.288,75 0.751,76 19.308,77 6.044,78 48.044,79 8.035,80 0.265,81 0.693,82 16.003,83 5.181,84 41.99,85 7.171,86 0.277,87 0.61,88 15.069,89 4.362,90 41.28,91 5.712,92 0.252,93 0.532,94 14.504,95 4.387,96 40.361,97 6.11,98 0.143,99 0.396,100 11.454,101 3.242,102 19.664,103 4.635,104 10,105 25,106 0.317,107 0.708,108 0.837,109 0.86,110 0.86,111 0.86,112 2.959,113 0.952,114 -2.79,115 -2.8,116 -2.71,118 40.6,120 4,121 1,122 1,123 1,124 1,125 1,126 5,127 2,128 1,129 8,130 1,131 2,132 2,133 7,134 1,135 2,136 1,137 2,138 1,139 3,140 2,141 3,142 2,143 1,145 1,146 3,147 2,148 2,150 3,154 1,159 2,163 3,165 1,166 1,171 2,174 382,175 11.93,176 11.93,177 11.93,178 11.93,179 11.93,180 10.403,181 11.54,182 7.195,183 12.187,184 9.367,185 9.367,186 9.367,187 9.367,188 9.367,189 7.141,190 10.295,191 3.458,192 9.816,193 3.318,194 1.246,195 0.563,196 0.438,197 0.438,198 0.438,199 3.61,200 1,201 1,202 323,203 3.082,204 57.066,205 65.483,206 1.389,207 19.694,210 0.8,211 0.9,212 38.833,213 155,214 4.093,215 3.781,216 5.965,217 3.833,218 2.83,219 3.634,220 8.4,221 2.841,222 3.962,223 2.95,224 5.427,225 3.55,226 2.588,227 3.496,228 0.353,229 7.216,230 2.49,231 3.756,232 2.754,233 5.248,234 3.338,235 2.381,236 3.043,238 6.54,239 2.272,240 3.349,241 2.491,242 4.874,243 2.937,244 2.024,245 2.605,246 5.612,247 1.757,248 2.7,249 1.921,250 3.863,251 2.292,252 1.321,253 1.74,254 3.118,255 1.268,256 2.5,257 1.254,258 3.414,259 2,260 1,261 1.5,262 2.275,263 1,264 2.266,265 1,266 3.303,267 1.897,268 0.937,269 1.16,270 2.176,271 0.89,272 2.118,273 0.879,274 3,275 1.532,276 0.618,277 0.927,278 1.372,279 0.564,280 1.398,281 0.618,282 2.678,283 1.004,284 0.063,285 0.078,286 0.139,287 0.05,288 0.742,289 0.255,290 2.138,291 0.515,292 -0.438,293 -0.491,294 -1.096,295 -0.407,296 0.687,297 -0.151,298 2,299 0.26,300 -0.67,301 -0.838,302 -1.608,303 -0.532,304 0.5,305 -0.526,306 1.703,308 -1,309 -1.5,310 -3,311 -1,312 -0.036,313 -0.941,314 1.385,315 -0.335,316 -1.291,317 -1.509,318 -3.014,319 -1.133,320 -0.089,321 -1,322 1.124,323 -0.502,324 -1.366,325 -1.689,326 -3.141,327 -1.272,328 -0.118,329 -1.321,330 1.107,331 -0.642,332 -1.542,333 -1.897,334 -4.027,335 -1.496,336 8.748,337 0.486,338 0.438,339 0.024,340 22.75,341 1.264,342 11.5,343 0.639,344 11.25,345 0.625,346 12.373,347 0.687,348 19.452,349 0.608,350 14.277,351 0.793,352 4.628,353 0.257,354 4.02,355 0.223,356 0.165,357 0.286,358 0.761,359 1.191,360 0.626,361 0.867,362 0.702,363 0.849,364 0.707,365 1.143,366 0.715,367 0.998,368 0.682,369 1.002,370 1.116,371 1.047,372 1.077,373 1.11,374 1.223,375 1.152,376 1.185,377 0.954,378 0.961,379 1.009,380 1.366,381 1.033,382 0.891,383 0.919,384 0.555,385 0.787,386 1.083,387 0.79,388 1.431,389 1.032,390 1.169,391 1.074,392 1.636,393 1.132,394 0.721,395 0.897,396 0.697,397 0.846,398 0.805,399 0.878,400 0.578,401 0.961,402 0.898,403 0.89,404 0.289,405 0.837,406 4,407 0.038,408 1.778,409 0.847,410 0.937,411 0.396,412 0.314,413 0.155,414 0.034,415 0.061,416 2908,417 9727,418 1.994,419 43.8,420 5,421 3,422 1.582,423 1.862,424 3.123,425 1.197,427 1,428 1,429 53.836,430 1.682,431 3.754,432 4.438,433 4.563,434 4.563,435 4.563,436 2.558,437 3.281,438 4.143,439 3.243,440 496.237,441 7.009,442 4807.95,443 1,445 160,446 1.415,447 4.096,448 0.211,449 0.009,450 0.071,451 0.04,452 0.052,453 0.021,454 0.021,455 0.013,456 0.003,457 0.009,458 0.45,459 0.5,460 0.662,461 77.672,462 -0.111,463 0.024,464 -0.008,465 0.067,466 -0.101,467 0.058,468 -0.012,469 -0.027,470 -0.006,471 -0.048,472 -0.038,473 -0.063,474 -0.107,475 -0.073,476 -0.167,477 -0.139,478 -0.08,479 -0.193,480 -0.12,481 -0.036,482 -0.084,483 -0.059,484 -0.108,485 -0.067,486 0.113,487 0.015,488 0.182,489 0.122,490 0.125,491 0.168,492 -0.201,493 -0.044,494 -0.244,495 -0.153,496 -0.226,497 -0.22,498 0.15,499 -0.009,500 0.187,501 0.111,502 0.103,503 0.126,504 0.153,505 -0.044,506 0.203,507 0.111,508 0.163,509 0.189,510 1.857,511 4.928,512 0.611,513 12.469,514 1.008,515 1.129,516 1.558,517 2.427,518 0.684,519 2.996,520 3.258,521 3.401,522 3.526,523 3.584,524 3.434,525 3.434,526 3.367,527 3.135,528 3.135,529 5.184,530 0.649,531 263.75,532 2.996,533 4.489,534 5.283,535 6.111,536 6.923,537 7.75,538 8.567,539 9.393,540 10.213,541 11.038,542 9.4,544 6,545 3,546 11,550 1,551 32,552 12,553 1,554 19,556 33,557 13,558 9,559 2,560 4,561 2,562 2,563 1,564 10,565 3,566 1,567 14,568 3,569 3,570 5,571 1,572 3,573 1,574 1,575 2,578 1,579 18,580 1,583 1,584 3.1,587 9.667,588 5.426,589 4.028,590 1.736,591 1.744,592 1.299,593 0.963,594 4.26,595 7.585,596 3.277,597 3.801,598 4.229,599 4.663,600 4.91,601 4.793,602 4.933,603 5.019,604 4.78,605 5.062,606 0.833,607 21,608 6.627,609 2.755,610 7.923,611 12.421,612 9.872,613 2.423,614 43.611,615 0.001,616 129.482,617 75.216,618 66.468,619 39.149,620 25.145,621 75.216,622 193.776,623 66.468,625 46.952,626 67.454,627 26.228,628 105.94,629 39.149,630 129.482,631 141.685,632 25.145,633 39.149,635 129.482,636 25.145,637 58.772,638 55.934,640 129.482,641 91.613,642 114.365,643 129.482,644 19.645,645 55.571,646 16.786,647 113.976,648 129.482,649 91.613,650 114.365,651 0.574,652 0.317,653 0.153,654 0.077,655 11,656 5,657 0.152,658 5,659 3.12,660 116.924,661 11,662 71.059,663 12.963,664 5.915,665 3.763,666 74.828,667 10.525,668 4.052,669 2.837,670 2.376,671 49.683,672 335.46,673 25.5,674 11.928,676 32.258,677 36.14,678 0.336,679 0.751,680 0.888,681 0.913,682 0.913,683 0.913,684 4.463,685 0.618,686 5.242,687 2.176,688 3.932,689 4.483,690 2.295,691 5.938,692 3.856,693 5.639,694 0.063,695 6.737,696 1.372,697 3.434,698 4.086,699 6.581,700 3.311,701 6.904,702 -0.438,703 8.324,704 0.139,705 5.425,706 6.538,707 3.57,708 9.582,709 5.31,710 8.2,711 -0.67,712 9.961,713 -1.096,714 5.707,715 6.918,716 10.985,717 5.568,718 9.522,719 -1,720 11.63,721 -1.608,722 7.155,723 8.815,724 5.062,725 13.479,726 7.025,727 10.859,728 -1.291,729 13.319,730 -3,731 7.793,732 9.557,733 15.211,734 7.656,735 12.208,736 -1.366,737 15.022,738 -3.014,739 9.009,740 11.199,741 6.64,742 17.505,743 8.88,744 2.83,745 -1.542,746 16.736,747 -3.141,748 9.824,749 12.139,750 19.407,751 9.699,752 2.588,753 8.4,754 18.458,755 -4.027,756 10.934,757 13.643,758 21.61,759 10.815,760 2.381,761 7.216,762 20.187,763 3.634,764 11.843,765 14.7,766 23.605,767 11.732,768 2.024,769 6.54,770 21.922,771 3.496,772 12.903,773 16.124,774 25.765,775 12.8,776 1.321,777 5.612,778 23.661,779 3.043,780 13.863,781 17.255,782 27.813,783 13.77,784 1,785 3.118,786 25.405,787 2.605,788 14.9,789 18.629,790 29.952,791 14.816,792 0.937,793 2.275,794 27.153,795 1.74,796 15.888,797 19.807,798 32.032,799 15.815,800 2926,801 5420,802 12.425,803 21.898,804 28.123,805 28.59,806 28.175,807 27.617,808 27.519,809 36.364,810 5.258,811 73.697,812 26.264,813 4.99,814 5.781,815 5.58,816 4.846,817 4.83,818 6.634,819 14.632,820 4.841,821 8.574,822 1.48,823 1.505,824 1.483,825 1.454,826 1.448,827 1.914,828 0.277,829 3.879,830 1.382,831 3.966,832 4.012,833 4.004,834 3.887,835 3.88,836 3.887,837 3.93,838 3.859,839 3.727,840 5.029,841 3.747,842 3.6,843 3.649,844 3.588,845 3.411,846 4.938,847 3.43,848 3.159,849 3.227,850 3.291,851 3.001,852 4.932,853 2.989,854 2.854,855 2.925,856 2.858,857 2.735,858 4.318,859 2.715,860 2.778,861 2.893,862 2.687,863 2.585,864 3.674,865 2.586,866 2.683,867 2.728,868 2.498,869 2.342,870 3.672,871 2.347,872 2.395,873 2.509,874 2.288,875 2.132,876 3.511,877 2.129,878 0.215,879 0.199,880 0.314,881 0.202,882 0.149,883 4.093,884 0.191,885 3.781,886 0.12,887 5.965,888 0.442,889 3.833,890 0.15,891 2.83,892 3.634,893 8.4,894 2.841,895 1.919,896 1.897,897 2.024,898 2.005,899 1.212,900 2.016,901 1.691,902 1.648,903 1.852,904 1.856,905 1.067,906 1.861,907 1.404,908 1.34,909 1.59,910 1.699,911 0.683,912 1.674,913 1.296,914 1.23,915 1.475,916 1.51,917 0.503,918 1.501,919 1.016,920 0.942,921 1.275,922 1.297,923 0.249,924 1.305,925 0.886,926 0.821,927 1.181,928 1.062,929 0.218,930 1.107,931 0.591,932 0.548,933 0.979,934 0.918,936 0.948,937 0.514,938 0.356,939 0.81,940 0.813,942 0.82,943 3.664,944 4.934,945 6.372,946 7.88,947 9.425,950 5.784,951 5.857,953 0.776,955 -0.524,956 20.767,957 53.836,958 120.126,959 142,960 146,961 146,962 146,963 33.128,964 5.841,965 71.77,966 71.77,967 11,968 11.615,969 3.7,970 2.907,971 31.155,972 55,973 52,974 0.276,975 135.832,976 228.1,977 323.189,978 2119,979 3.1,980 12.958,981 0.72,982 0.585,983 13.458,984 10.522,985 8.648,986 0.455,987 0.317,988 5.623,989 8.095,990 5.467,991 4.526,992 8.937,993 6.031,994 7.702,995 0.308,996 0.183,997 8.111,998 4.577,999 5.992,1000 0.207,1001 0.101,1002 6.28,1003 2.941,1004 4.327,1005 0.131,1006 0.055,1007 4.494,1008 1.802,1009 3.101,1010 0.089,1011 0.034,1012 3.337,1013 1.19,1014 0.433,1015 56.883,1016 0.284,1017 18.443,1018 0.748,1019 88,1020 267.229,1021 109.814,1022 292.203,1023 377.15,1024 270,1025 98,1026 241.288,1027 113.998,1028 256.091,1029 363.64,1030 240,1031 6.523}
{0 CHEMBL538257,1 1.555,2 8.611,3 -0.077,4 0.006,5 70.542,6 7.186,7 0.579,8 3.614,9 3.762,10 3.124,11 3.117,12 4.787,13 3.098,14 4.087,15 4.268,16 3.425,17 3.488,18 5.176,19 3.433,20 4.34,21 4.559,22 3.344,23 3.551,24 5.493,25 3.449,26 4.38,27 4.641,28 3.222,29 3.459,30 5.453,31 3.337,32 4.26,33 4.531,34 3.24,35 3.325,36 5.404,37 3.234,38 4.089,39 4.316,40 3.061,41 3.213,42 5.3,43 3.127,44 4.057,45 4.35,46 2.823,47 3.101,48 5.079,49 2.953,50 3.755,51 4.028,52 2.706,53 2.87,54 4.818,55 2.764,56 0.049,57 0.524,58 7.333,59 2.668,60 12.285,61 3.867,62 0.08,63 0.778,64 12.32,65 4.714,66 17.083,67 6.765,68 0.217,69 0.86,70 17.126,71 5.747,72 48.965,73 8.42,74 0.239,75 0.813,76 18.782,77 5.89,78 48.229,79 8.783,80 0.238,81 0.718,82 16.834,83 5.096,84 43.18,85 7.765,86 0.228,87 0.64,88 13.668,89 3.861,90 40.201,91 5.856,92 0.201,93 0.572,94 13.869,95 4.232,96 40.458,97 6.639,98 0.136,99 0.458,100 9.967,101 2.96,102 26.944,103 4.638,104 10,105 25,106 0.289,107 0.691,108 0.837,109 0.859,110 0.859,111 0.859,112 2.959,113 0.908,114 -1.74,115 -1.8,116 -1.82,118 38.2,120 4,121 1,122 1,123 2,124 2,125 2,126 5,127 2,128 3,129 6,130 3,131 2,132 4,133 5,134 3,135 2,136 2,137 1,138 2,139 3,140 3,141 2,142 3,143 1,145 1,146 3,147 2,148 2,150 2,151 1,152 1,154 1,159 2,162 1,163 3,164 2,166 1,167 1,171 2,174 382,175 11.93,176 11.93,177 11.93,178 11.93,179 11.93,180 10.403,181 13.101,182 7.195,183 12.07,184 9.367,185 9.367,186 9.367,187 9.367,188 9.367,189 7.141,190 12.154,191 3.458,192 9.579,193 3.533,194 1.374,195 0.588,196 0.471,197 0.471,198 0.471,199 3.61,202 323,203 3.082,204 57.066,205 65.483,206 1.389,207 19.529,210 0.8,211 0.9,212 39,213 155,214 4.093,215 3.781,216 5.965,217 3.835,218 2.83,219 3.634,220 8.4,221 2.845,222 3.962,223 2.779,224 5.427,225 3.569,226 2.588,227 3.496,228 0.353,229 7.216,230 2.54,231 3.756,232 2.686,233 5.248,234 3.356,235 2.381,236 3.043,238 6.54,239 2.313,240 3.349,241 2.257,242 4.874,243 3.003,244 2.024,245 2.605,246 5.612,247 1.98,248 2.7,249 1.919,250 3.863,251 2.295,252 1.321,253 1.74,254 3.118,255 1.278,256 2.5,257 1.254,258 3.414,259 2,260 1,261 1.5,262 2.275,263 1,264 2.266,265 1,266 3.303,267 1.899,268 0.937,269 1.16,270 2.176,271 0.896,272 2.118,273 0.748,274 3,275 1.532,276 0.618,277 0.927,278 1.372,279 0.564,280 1.398,281 0.618,282 2.678,283 1.069,284 0.063,285 0.078,286 0.139,287 0.062,288 0.742,289 -0.017,290 2.138,291 0.518,292 -0.438,293 -0.491,294 -1.096,295 -0.417,296 0.687,297 -0.173,298 2,299 0.352,300 -0.67,301 -0.838,302 -1.608,303 -0.676,304 0.5,305 -0.644,306 1.703,308 -1,309 -1.5,310 -3,311 -1,312 -0.036,313 -1,314 1.385,315 -0.285,316 -1.291,317 -1.509,318 -3.014,319 -1.271,320 -0.089,321 -1.03,322 1.124,323 -0.414,324 -1.366,325 -1.689,326 -3.141,327 -1.313,328 -0.118,329 -1.336,330 1.107,331 -0.565,332 -1.542,333 -1.897,334 -4.027,335 -1.498,336 8.433,337 0.469,338 0.438,339 0.024,340 23.25,341 1.292,342 12,343 0.667,344 11.25,345 0.625,346 11.613,347 0.645,348 19.767,349 0.581,350 15.037,351 0.835,352 4.777,353 0.265,354 3.871,355 0.215,356 0.134,357 0.296,358 0.958,359 1.18,360 0.888,361 0.955,362 0.861,363 0.899,364 0.721,365 1.199,366 0.909,367 1.162,368 0.679,369 1.076,370 1.119,371 1.125,372 1.182,373 1.212,374 1.223,375 1.215,376 1.174,377 0.956,378 1.047,379 1.041,380 1.297,381 1.039,382 0.952,383 0.902,384 0.774,385 0.882,386 1.041,387 0.821,388 1.504,389 1.078,390 1.28,391 1.115,392 1.648,393 1.158,394 0.768,395 0.886,396 0.863,397 0.881,398 0.763,399 0.892,400 0.917,401 0.971,402 0.892,403 0.881,404 0.837,405 0.888,406 4,407 0.038,408 1.778,409 0.847,410 0.937,411 0.396,412 0.314,413 0.155,414 0.034,415 0.061,416 2908,417 8207,418 1.994,419 47.1,420 5,421 5,422 1.582,423 1.862,424 3.123,425 2.971,429 52.868,430 1.555,431 3.713,432 4.499,433 4.617,434 4.617,435 4.617,436 2.558,437 3.281,438 4.143,439 3.243,440 496.237,441 7.009,442 4807.95,445 172.974,446 1.415,447 4.096,448 0.211,449 0.009,450 0.071,451 0.04,452 0.052,453 0.021,454 0.021,455 0.013,456 0.003,457 0.009,458 0.45,459 0.33,460 0.662,461 77.672,462 -0.176,463 0.091,464 -0.016,465 0.126,466 -0.16,467 0.094,468 0.003,469 -0.05,470 -0.025,471 -0.08,472 -0.03,473 -0.059,474 -0.091,475 -0.111,476 -0.237,477 -0.197,478 -0.08,479 -0.234,480 -0.084,481 -0.053,482 -0.06,483 -0.067,484 -0.085,485 -0.063,486 0.149,487 -0.019,488 0.232,489 0.078,490 0.143,491 0.154,492 -0.179,493 -0.073,494 -0.288,495 -0.176,496 -0.208,497 -0.236,498 0.103,499 -0.032,500 0.126,501 0.081,502 0.112,503 0.1,504 0.002,505 -0.041,506 0.091,507 0.07,508 0.024,509 0.083,510 1.856,511 4.929,512 0.611,513 12.469,514 1.001,515 1.138,516 0.507,517 0.257,518 0.648,519 2.996,520 3.258,521 3.401,522 3.526,523 3.584,524 3.434,525 3.434,526 3.367,527 3.135,528 3.135,529 5.184,530 0.617,531 244.33,532 2.996,533 4.489,534 5.283,535 6.111,536 6.923,537 7.75,538 8.567,539 9.393,540 10.213,541 11.038,542 11.8,543 1,544 6,545 3,546 11,547 1,551 34,552 12,553 1,554 19,556 35,557 13,558 9,559 2,560 4,561 2,562 2,564 10,565 3,567 16,568 4,569 5,570 5,572 4,573 1,574 1,575 2,579 18,580 2,584 2.9,587 9.667,588 5.617,589 4.028,590 1.783,591 1.744,592 1.299,593 0.973,594 3.998,595 7.585,596 3.277,597 3.801,598 4.229,599 4.663,600 4.91,601 4.793,602 4.933,603 5.019,604 4.78,605 5.062,606 0.833,607 21,608 6.627,609 2.754,610 7.917,611 12.428,612 9.877,613 2.417,614 43.5,615 0.001,616 129.482,617 74.473,618 99.365,620 25.145,621 74.473,622 154.627,623 99.365,625 79.85,626 67.454,627 25.485,628 105.94,630 129.482,631 173.838,632 25.145,635 129.482,636 25.145,637 90.925,638 16.786,640 129.482,641 124.51,642 74.473,643 129.482,644 18.902,645 55.571,646 16.786,647 107.725,648 129.482,649 124.51,650 74.473,651 0.574,652 0.317,653 0.153,654 0.077,655 11,656 5,657 0.143,658 5,659 3.12,660 116.924,661 11,662 71.059,663 12.647,664 5.691,665 3.595,666 107.725,667 10.565,668 4.053,669 2.838,670 2.409,671 82.58,672 328.465,673 25.5,674 11.929,675 0.003,676 34.036,677 38.694,678 0.306,679 0.73,680 0.884,681 0.908,682 0.908,683 0.908,684 4.463,685 0.618,686 5.242,687 2.176,688 3.932,689 4.483,690 2.295,691 5.938,692 3.897,693 5.639,694 0.063,695 6.737,696 1.372,697 3.434,698 4.086,699 6.581,700 3.414,701 6.904,702 -0.438,703 8.324,704 0.139,705 5.425,706 6.538,707 3.57,708 9.582,709 5.373,710 8.2,711 -0.67,712 9.961,713 -1.096,714 5.707,715 6.918,716 10.985,717 5.67,718 9.522,719 -1,720 11.63,721 -1.608,722 7.155,723 8.815,724 5.062,725 13.479,726 7.098,727 10.859,728 -1.291,729 13.319,730 -3,731 7.793,732 9.557,733 15.211,734 7.749,735 12.208,736 -1.366,737 15.022,738 -3.014,739 9.009,740 11.199,741 6.64,742 17.505,743 8.956,744 2.83,745 -1.542,746 16.736,747 -3.141,748 9.824,749 12.139,750 19.407,751 9.783,752 2.588,753 8.4,754 18.458,755 -4.027,756 10.934,757 13.643,758 21.61,759 10.89,760 2.381,761 7.216,762 20.187,763 3.634,764 11.843,765 14.7,766 23.605,767 11.811,768 2.024,769 6.54,770 21.922,771 3.496,772 12.903,773 16.124,774 25.765,775 12.873,776 1.321,777 5.612,778 23.661,779 3.043,780 13.863,781 17.255,782 27.813,783 13.843,784 1,785 3.118,786 25.405,787 2.605,788 14.9,789 18.629,790 29.952,791 14.886,792 0.937,793 2.275,794 27.153,795 1.74,796 15.888,797 19.807,798 32.032,799 15.884,800 2926,801 4976,802 12.425,803 22.046,804 28.123,805 28.476,806 28.175,807 27.496,808 27.519,809 36.364,810 5.258,811 73.697,812 26.956,813 4.99,814 5.781,815 5.58,816 4.846,817 4.83,818 6.634,819 14.632,820 4.845,821 8.574,822 1.48,823 1.499,824 1.483,825 1.447,826 1.448,827 1.914,828 0.277,829 3.879,830 1.419,831 3.97,832 4.016,833 3.903,834 3.88,835 3.878,836 3.891,837 3.941,838 3.828,839 3.726,840 5.112,841 3.746,842 3.606,843 3.658,844 3.523,845 3.409,846 5.025,847 3.431,848 3.198,849 3.287,850 3.048,851 3.001,852 4.935,853 3.001,854 2.881,855 2.975,856 2.733,857 2.735,858 4.491,859 2.715,860 2.854,861 2.925,862 2.687,863 2.607,864 3.676,865 2.624,866 2.734,867 2.882,868 2.482,869 2.359,870 3.674,871 2.368,872 2.422,873 2.516,874 2.207,875 2.133,876 3.544,877 2.129,878 0.215,879 0.199,880 0.314,881 0.202,882 0.149,883 4.093,884 0.191,885 3.781,886 0.12,887 5.965,888 0.442,889 3.835,890 0.15,891 2.83,892 3.634,893 8.4,894 2.845,895 1.926,896 1.899,897 2.044,898 2.025,899 1.213,900 2.032,901 1.694,902 1.649,903 1.86,904 1.869,905 1.068,906 1.87,907 1.408,908 1.343,909 1.596,910 1.701,911 0.688,912 1.675,913 1.306,914 1.234,915 1.502,916 1.536,917 0.503,918 1.528,919 1.052,920 0.97,921 1.301,922 1.356,923 0.251,924 1.351,925 0.886,926 0.821,927 1.181,928 1.149,929 0.218,930 1.152,931 0.749,932 0.641,933 1.13,934 1.062,936 1.107,937 0.514,938 0.357,939 0.978,940 0.905,942 0.942,943 3.664,944 4.934,945 6.372,946 7.88,947 9.425,951 11.444,953 0.781,955 -0.522,956 20.961,957 52.868,958 126.245,959 152.974,960 156.974,961 156.974,962 156.974,963 33.012,964 5.841,965 97.79,966 97.79,967 11,968 11.615,969 3.7,970 2.907,971 31.155,972 55,973 52,974 0.276,975 134.293,976 223.89,977 319.435,978 2119,980 12.958,981 0.72,982 0.554,983 12.958,984 9.966,985 8.648,986 0.455,987 0.303,988 5.683,989 8.367,990 5.557,991 4.63,992 8.648,993 5.753,994 7.702,995 0.308,996 0.17,997 7.702,998 4.256,999 5.992,1000 0.207,1001 0.095,1002 5.992,1003 2.756,1004 4.327,1005 0.131,1006 0.052,1007 4.327,1008 1.709,1009 3.101,1010 0.089,1011 0.031,1012 3.101,1013 1.071,1014 0.433,1015 53.996,1016 0.284,1017 18.443,1018 0.748,1019 88,1020 250.338,1021 95.321,1022 248.712,1023 329.87,1024 230,1025 98,1026 233.27,1027 105.072,1028 239.492,1029 338.12,1030 224,1031 6.301}
{0 CHEMBL540286,1 1.682,2 8,3 1.418,4 2.011,5 73.464,6 9.631,7 0.579,8 3.554,9 3.681,10 3.334,11 3.145,12 4.699,13 3.104,14 4.04,15 4.205,16 3.726,17 3.527,18 5.123,19 3.448,20 4.29,21 4.495,22 3.686,23 3.594,24 5.423,25 3.458,26 4.284,27 4.524,28 3.614,29 3.481,30 5.381,31 3.346,32 4.19,33 4.428,34 3.481,35 3.371,36 5.381,37 3.255,38 4.055,39 4.275,40 3.562,41 3.243,42 5.306,43 3.147,44 3.962,45 4.227,46 3.363,47 3.146,48 4.942,49 2.975,50 3.658,51 3.903,52 3.041,53 2.968,54 4.582,55 2.776,56 0.04,57 0.468,58 4.445,59 2.703,60 8.905,61 3.45,62 0.092,63 0.72,64 9.473,65 4.842,66 16.027,67 6.178,68 0.241,69 0.813,70 23.123,71 6.779,72 46.113,73 8.277,74 0.248,75 0.778,76 22.38,77 6.629,78 43.226,79 8.232,80 0.266,81 0.711,82 27.971,83 6.174,84 40.534,85 7.535,86 0.269,87 0.635,88 15.191,89 4.623,90 39.335,91 5.712,92 0.197,93 0.552,94 20.232,95 4.905,96 30.709,97 6.312,98 0.115,99 0.421,100 25.572,101 4.307,102 14.713,103 5.071,104 10,105 25,106 0.317,107 0.708,108 0.86,109 0.907,110 0.907,111 0.907,112 2.959,113 1.018,114 -2.92,115 -2.92,116 -2.82,117 1,118 40.6,120 4,121 1,122 1,123 1,124 1,125 1,126 5,127 2,128 1,129 8,130 1,131 2,132 2,133 6,134 1,135 2,136 1,137 4,138 1,139 2,140 2,141 2,142 2,143 3,145 1,146 2,147 1,148 1,150 2,154 3,156 2,157 2,159 1,163 2,168 2,171 1,174 378,175 11.93,176 11.93,177 11.93,178 11.93,179 11.93,180 10.403,181 11.583,182 7.228,183 12.215,184 9.384,185 9.384,186 9.384,187 9.384,188 9.384,189 7.147,190 11.327,191 3.472,192 9.879,193 3.318,194 1.246,195 0.438,196 0.188,197 0.188,198 0.188,199 3.61,201 1,202 300,203 3.082,204 56.319,205 65.483,206 1.333,207 17.787,209 1,210 0.8,211 0.9,212 38.25,213 144,214 4.111,215 3.782,216 5.969,217 3.838,218 2.836,219 3.666,220 8.426,221 2.842,222 3.97,223 2.958,224 5.491,225 3.565,226 2.61,227 3.497,228 0.353,229 7.396,230 2.491,231 3.75,232 2.749,233 5.271,234 3.337,235 2.377,236 3.023,238 6.618,239 2.268,240 3.244,241 2.394,242 4.738,243 2.825,244 1.922,245 2.473,246 5.24,247 1.634,248 2.714,249 1.92,250 3.855,251 2.297,252 1.33,253 1.776,254 3.114,255 1.258,256 2.648,257 1.294,258 3.477,259 2.157,260 1.18,261 1.7,262 2.583,263 1.121,264 2.257,265 1.253,266 3.294,267 1.882,268 0.91,269 1.141,270 2.13,271 0.877,272 2.118,273 0.618,274 3,275 1.532,276 0.618,277 0.927,278 1.372,279 0.564,280 1.185,281 0.595,282 2.664,283 0.826,284 -0.205,285 -0.263,286 -0.515,287 -0.191,288 0.886,289 0.18,290 2.137,291 0.512,292 -0.426,293 -0.502,294 -1.009,295 -0.241,296 0.729,297 -0.14,298 2,299 0.345,300 -0.462,301 -0.552,302 -1.121,303 -0.433,304 0.479,305 -0.411,306 1.683,307 0.033,308 -1,309 -1.39,310 -2.567,311 -1.025,312 -0.062,313 -0.88,314 1.363,315 -0.352,316 -1.321,317 -1.546,318 -3.06,319 -1.108,320 -0.09,321 -1.125,322 1.12,323 -0.526,324 -1.384,325 -1.825,326 -3.398,327 -1.272,328 -0.118,329 -1.315,330 1.108,331 -0.68,332 -1.536,333 -1.897,334 -4.035,335 -1.495,336 9.367,337 0.52,338 0.438,339 0.024,340 22.5,341 1.25,342 11.5,343 0.639,344 11,345 0.611,346 13.822,347 0.768,348 18.833,349 0.589,350 12.95,351 0.719,352 4.356,353 0.242,354 4.292,355 0.238,356 0.221,357 0.267,358 0.804,359 1.149,360 0.495,361 0.745,362 0.722,363 0.814,364 0.726,365 1.098,366 0.583,367 0.861,368 0.7,369 0.961,370 1.13,371 1.034,372 0.964,373 1.061,374 1.252,375 1.14,376 1.223,377 0.917,378 0.724,379 0.855,380 1.394,381 0.943,382 1.137,383 0.94,384 1.059,385 1.008,386 1.235,387 0.939,388 1.245,389 1.017,390 0.6,391 0.896,392 1.526,393 0.994,394 0.957,395 0.924,396 0.899,397 0.897,398 0.981,399 0.921,400 0.825,401 1.014,402 2.088,403 1.439,404 0.4,405 1.162,406 4,407 0.025,408 1.556,409 1.097,410 0.857,411 0.396,412 0.315,413 0.093,414 0.067,415 0.051,416 2860,417 9407,418 1.994,419 43.8,420 5,421 3,422 1.584,423 1.862,424 3.045,425 1.197,428 1,429 53.836,430 1.682,431 3.754,432 4.563,433 4.813,434 4.813,435 4.813,436 2.489,437 3.308,438 4.145,439 3.187,440 487.675,441 7.017,442 4736.63,443 1,444 1,445 160,446 1.415,447 4.096,448 0.211,449 0.006,450 0.062,451 0.052,452 0.045,453 0.021,454 0.02,455 0.008,456 0.007,457 0.006,458 0.438,459 0.33,460 0.662,461 77.401,462 -0.119,463 0.033,464 -0.006,465 0.058,466 -0.103,467 0.055,468 -0.01,469 -0.004,470 0.011,471 -0.013,472 -0.049,473 -0.05,474 -0.099,475 -0.065,476 -0.084,477 -0.115,478 -0.078,479 -0.187,480 -0.094,481 0.002,482 0.01,483 0.044,484 -0.072,485 0.013,486 0.045,487 -0.011,488 -0.077,489 -0.04,490 0.076,491 0.027,492 0.035,493 -0.026,494 0.048,495 -0.059,496 -0.044,497 -0.099,498 -0.032,499 -0.034,500 0.041,501 0.076,502 -0.051,503 0.085,504 -0.115,505 -0.09,506 -0.257,507 -0.182,508 -0.036,509 -0.081,510 1.84,511 4.972,512 0.611,513 12,514 1.005,515 1.126,516 1.687,517 2.846,518 0.7,519 2.996,520 3.258,521 3.401,522 3.555,523 3.555,524 3.466,525 3.401,526 3.332,527 3.219,528 3.091,529 5.074,530 0.655,531 308.2,532 2.996,533 4.489,534 5.283,535 6.116,536 6.925,537 7.758,538 8.571,539 9.405,540 10.22,541 11.053,542 9.4,544 6,545 3,546 11,550 1,551 32,552 12,553 1,554 19,555 1,556 33,557 13,558 9,559 2,560 4,561 2,562 2,564 10,565 3,566 1,567 14,568 3,569 3,570 5,571 1,572 3,573 1,574 1,575 2,576 1,579 18,580 1,583 1,584 3.1,587 9.667,588 5.426,589 4.028,590 1.736,591 1.754,592 1.3,593 0.971,594 4.421,595 7.594,596 3.277,597 3.801,598 4.229,599 4.684,600 4.877,601 4.834,602 4.853,603 5.044,604 4.862,605 5.03,606 1,607 21,608 6.636,609 2.745,610 7.847,611 12.531,612 9.957,613 2.347,614 42.25,615 0.001,616 129.482,617 74.771,618 112.422,620 25.145,621 120.725,622 154.627,623 66.468,625 46.952,626 67.454,627 25.783,628 105.94,629 45.954,630 129.482,631 141.239,632 25.145,634 45.954,635 129.482,636 25.145,637 58.327,638 16.786,639 45.954,640 129.482,641 91.613,642 120.725,643 129.482,644 19.2,645 55.571,646 62.74,647 74.828,648 129.482,649 91.613,650 120.725,651 0.572,652 0.316,653 0.159,654 0.074,655 11,656 5,657 0.152,658 5,659 3.106,660 117.449,661 11,662 75.059,663 13.153,664 6.05,665 3.866,666 74.828,667 11.028,668 4.064,669 2.847,670 2.741,671 49.683,672 341.82,673 25.5,674 11.972,675 0.024,676 32.163,677 36.037,678 0.336,679 0.751,680 0.913,681 0.963,682 0.963,683 0.963,684 4.463,685 0.618,686 5.242,687 2.13,688 3.932,689 4.483,690 2.295,691 5.943,692 3.847,693 5.639,694 -0.205,695 6.737,696 1.372,697 3.434,698 4.086,699 6.581,700 3.288,701 6.904,702 -0.426,703 8.325,704 -0.515,705 5.425,706 6.538,707 3.57,708 9.606,709 5.299,710 8.2,711 -0.462,712 9.964,713 -1.009,714 5.707,715 6.918,716 11.008,717 5.551,718 9.522,719 -1,720 11.635,721 -1.121,722 7.16,723 8.819,724 5.062,725 13.522,726 7.016,727 10.86,728 -1.321,729 13.327,730 -2.567,731 7.804,732 9.572,733 15.257,734 7.647,735 12.211,736 -1.384,737 15.034,738 -3.06,739 9.024,740 11.215,741 6.64,742 17.563,743 8.875,744 2.836,745 -1.536,746 16.751,747 -3.398,748 9.848,749 12.17,750 19.469,751 9.695,752 2.61,753 8.426,754 18.477,755 -4.035,756 10.96,757 13.675,758 21.679,759 10.813,760 2.377,761 7.396,762 20.209,763 3.666,764 11.876,765 14.748,766 23.677,767 11.732,768 1.922,769 6.618,770 21.947,771 3.497,772 12.939,773 16.172,774 25.841,775 12.8,776 1.33,777 5.24,778 23.689,779 3.023,780 13.904,781 17.319,782 27.891,783 13.771,784 1.18,785 3.114,786 25.436,787 2.473,788 14.945,789 18.695,790 30.033,791 14.818,792 0.91,793 2.583,794 27.186,795 1.776,796 15.937,797 19.888,798 32.114,799 15.818,800 2880,801 5292,802 12.425,803 22.392,804 28.149,805 28.495,806 28.151,807 27.704,808 27.567,809 36.408,810 5.258,811 73.757,812 26.11,813 5.009,814 5.782,815 5.583,816 4.851,817 4.836,818 6.666,819 14.675,820 4.842,821 8.469,822 1.482,823 1.5,824 1.482,825 1.458,826 1.451,827 1.916,828 0.277,829 3.882,830 1.374,831 3.965,832 4.012,833 6.88,834 3.901,835 3.885,836 3.886,837 3.928,838 3.879,839 3.729,840 5.027,841 3.747,842 3.599,843 3.649,844 3.77,845 3.415,846 4.935,847 3.43,848 3.153,849 3.227,850 3.487,851 3.007,852 4.737,853 2.981,854 2.87,855 2.915,856 2.97,857 2.843,858 3.811,859 2.781,860 2.772,861 2.893,862 2.628,863 2.557,864 3.731,865 2.561,866 2.669,867 2.731,868 2.502,869 2.326,870 3.657,871 2.335,872 2.395,873 2.509,874 2.444,875 2.132,876 3.48,877 2.129,878 0.216,879 0.199,880 0.314,881 0.202,882 0.149,883 4.111,884 0.193,885 3.782,886 0.12,887 5.969,888 0.443,889 3.838,890 0.15,891 2.836,892 3.666,893 8.426,894 2.842,895 1.92,896 1.898,897 2.016,898 2.001,899 1.216,900 2.014,901 1.692,902 1.649,903 1.852,904 1.854,905 1.071,906 1.86,907 1.405,908 1.34,909 1.591,910 1.699,911 0.693,912 1.674,913 1.298,914 1.23,915 1.485,916 1.512,917 0.504,918 1.505,919 1.021,920 0.942,921 1.285,922 1.302,923 0.254,924 1.311,925 0.872,926 0.83,927 1.067,928 1,929 0.18,930 1.048,931 0.608,932 0.546,933 0.979,934 0.924,935 0.004,936 0.952,937 0.514,938 0.356,939 0.91,940 0.845,942 0.868,943 3.664,944 4.934,945 6.372,946 7.883,947 9.432,948 3.381,951 5.879,953 0.821,955 -0.507,956 20.965,957 53.836,958 120.126,959 146,960 154,961 154,962 154,963 32.156,964 5.841,965 71.77,966 71.77,967 11,968 11.627,969 3.7,970 2.907,971 31.102,972 54,973 42,974 0.281,975 139.413,976 232.17,977 331.927,978 2119,979 3.1,980 12.958,981 0.72,982 0.631,983 13.958,984 11.352,985 8.648,986 0.455,987 0.339,988 5.641,989 7.831,990 5.466,991 4.528,992 9.225,993 6.446,994 7.714,995 0.309,996 0.202,997 8.531,998 5.06,999 5.901,1000 0.203,1001 0.109,1002 6.426,1003 3.158,1004 4.536,1005 0.133,1006 0.064,1007 5.074,1008 2.168,1009 2.943,1010 0.087,1011 0.036,1012 3.275,1013 1.233,1014 0.439,1015 62.079,1016 0.284,1017 18.367,1018 0.769,1019 88,1020 259.68,1021 160.165,1022 292.268,1023 377.17,1024 270,1025 98,1026 238.158,1027 132.504,1028 256.227,1029 363.91,1030 240,1031 7}
{0 CHEMBL543341,1 1.682,2 7.944,3 1.418,4 2.011,5 73.464,6 9.631,7 0.579,8 3.554,9 3.681,10 3.334,11 3.145,12 4.7,13 3.104,14 4.04,15 4.205,16 3.726,17 3.527,18 5.117,19 3.448,20 4.29,21 4.496,22 3.827,23 3.617,24 5.425,25 3.481,26 4.293,27 4.518,28 3.658,29 3.527,30 5.4,31 3.374,32 4.188,33 4.431,34 3.692,35 3.357,36 5.42,37 3.262,38 4.058,39 4.272,40 3.547,41 3.272,42 5.291,43 3.161,44 3.969,45 4.221,46 3.13,47 3.175,48 4.933,49 2.976,50 3.642,51 3.915,52 3.272,53 2.904,54 4.569,55 2.757,56 0.04,57 0.468,58 4.445,59 2.703,60 8.928,61 3.45,62 0.092,63 0.72,64 9.473,65 4.842,66 16.044,67 6.178,68 0.236,69 0.813,70 20.455,71 6.765,72 45.712,73 8.266,74 0.267,75 0.777,76 33.434,77 7.313,78 43.106,79 8.516,80 0.286,81 0.711,82 23.324,83 5.893,84 41.85,85 7.36,86 0.258,87 0.634,88 18.025,89 4.73,90 38.791,91 5.817,92 0.2,93 0.552,94 29.414,95 5.536,96 30.925,97 6.571,98 0.105,99 0.421,100 12.705,101 3.449,102 14.29,103 4.717,104 10,105 25,106 0.317,107 0.708,108 0.848,109 0.896,110 0.907,111 0.907,112 2.959,113 1.019,114 -2.92,115 -2.92,116 -2.82,117 1,118 40.6,120 4,121 1,122 1,123 1,124 1,125 1,126 5,127 2,128 1,129 7,130 1,131 2,132 2,133 8,134 1,135 1,136 1,137 3,138 1,139 4,140 1,141 1,142 1,143 2,145 1,146 4,147 3,148 3,150 1,154 2,156 1,157 1,159 3,163 1,168 1,171 3,174 374,175 11.983,176 11.983,177 11.983,178 11.983,179 11.983,180 10.427,181 10.229,182 7.251,183 12.236,184 9.362,185 9.362,186 9.362,187 9.362,188 9.362,189 7.12,190 8.923,191 3.452,192 9.819,193 3.318,194 1.246,195 0.5,196 0.25,197 0.188,198 0.188,199 3.61,201 1,202 298,203 3.082,204 55.683,205 65.483,206 1.29,207 17.965,209 1,210 0.8,211 0.9,212 38.25,213 143,214 4.204,215 3.788,216 6.113,217 3.875,218 2.893,219 3.791,220 8.874,221 2.851,222 3.986,223 3.123,224 5.839,225 3.632,226 2.679,227 3.497,228 0.353,229 7.966,230 2.52,231 3.739,232 2.744,233 5.291,234 3.34,235 2.372,236 2.993,238 6.672,239 2.275,240 2.903,241 1.996,242 4.263,243 2.524,244 1.554,245 2.067,246 3.987,247 1.506,248 2.843,249 1.884,250 3.799,251 2.339,252 1.414,253 1.969,254 3.063,255 1.242,256 2.68,257 1.517,258 3.588,259 2.229,260 1.259,261 1.72,262 2.869,263 1.172,264 2.26,265 1.253,266 3.291,267 1.883,268 0.911,269 1.146,270 2.123,271 0.879,272 2.118,273 0.693,274 3,275 1.532,276 0.618,277 0.927,278 1.372,279 0.564,280 1.396,281 0.618,282 2.672,283 0.994,284 0.062,285 0.077,286 0.137,287 0.045,288 0.787,289 0.236,290 2.138,291 0.515,292 -0.438,293 -0.492,294 -1.095,295 -0.392,296 0.726,297 -0.152,298 2,299 0.288,300 -0.608,301 -0.784,302 -1.409,303 -0.47,304 0.478,305 -0.502,306 1.701,307 0.031,308 -1,309 -1.397,310 -2.433,311 -1.027,312 -0.087,313 -0.886,314 1.378,315 -0.36,316 -1.332,317 -1.546,318 -3.059,319 -1.109,320 -0.105,321 -1.153,322 1.122,323 -0.542,324 -1.414,325 -1.888,326 -3.459,327 -1.272,328 -0.118,329 -1.305,330 1.107,331 -0.682,332 -1.524,333 -1.897,334 -4.031,335 -1.495,336 9.367,337 0.52,338 0.421,339 0.023,340 22.5,341 1.25,342 11.5,343 0.639,344 11,345 0.611,346 14.084,347 0.782,348 18.833,349 0.589,350 12.855,351 0.714,352 4.372,353 0.243,354 4.293,355 0.238,356 0.221,357 0.267,358 0.804,359 1.149,360 0.495,361 0.745,362 0.72,363 0.814,364 0.726,365 1.098,366 0.583,367 0.861,368 0.711,369 0.961,370 1.108,371 0.997,372 0.902,373 0.963,374 1.23,375 1.06,376 1.356,377 0.959,378 1.387,379 1.175,380 1.457,381 1.109,382 0.923,383 0.925,384 0.721,385 0.876,386 1.097,387 0.823,388 1.385,389 1.053,390 0.899,391 0.999,392 1.589,393 1.06,394 1.192,395 0.942,396 1.602,397 1.241,398 1.11,399 1.146,400 0.42,401 0.963,402 0.713,403 0.768,404 0.232,405 0.75,406 3.5,407 0.005,408 2,409 0.972,410 0.937,411 0.451,412 0.234,413 0.155,414 0.054,415 0.045,416 2812,417 9087,418 1.994,419 43.8,420 5,421 3,422 1.585,423 1.862,424 3.019,425 1.197,428 1,429 53.836,430 1.682,431 3.754,432 4.5,433 4.75,434 4.813,435 4.813,436 2.468,437 3.461,438 4.146,439 3.152,440 482.209,441 7.023,442 4663.23,443 1,444 1,445 160,446 1.415,447 4.096,448 0.184,449 0.002,450 0.08,451 0.044,452 0.049,453 0.023,454 0.015,455 0.014,456 0.005,457 0.006,458 0.422,459 0.33,460 0.662,461 77.111,462 -0.119,463 0.033,464 -0.006,465 0.058,466 -0.101,467 0.055,468 -0.01,469 -0.004,470 0.011,471 -0.013,472 -0.06,473 -0.05,474 -0.076,475 -0.028,476 -0.02,477 -0.014,478 -0.056,479 -0.105,480 -0.169,481 -0.042,482 -0.14,483 -0.112,484 -0.132,485 -0.118,486 0.243,487 0.005,488 0.075,489 0.031,490 0.216,491 0.132,492 -0.083,493 -0.064,494 -0.031,495 -0.09,496 -0.108,497 -0.149,498 -0.219,499 -0.054,500 -0.197,501 -0.12,502 -0.178,503 -0.11,504 0.189,505 -0.036,506 0.163,507 0.184,508 0.125,509 0.268,510 1.847,511 5.007,512 0.611,513 11.753,514 1.005,515 1.126,516 1.687,517 2.846,518 0.7,519 2.996,520 3.258,521 3.434,522 3.555,523 3.584,524 3.434,525 3.367,526 3.332,527 3.219,528 3.135,529 4.976,530 0.655,531 308.2,532 2.996,533 4.489,534 5.293,535 6.125,536 6.946,537 7.778,538 8.604,539 9.435,540 10.264,541 11.095,542 9.4,544 6,545 3,546 11,550 1,551 32,552 12,553 1,554 19,555 1,556 33,557 13,558 9,559 2,560 4,561 2,562 2,564 10,565 3,566 1,567 14,568 3,569 3,570 5,571 1,572 3,573 1,574 1,575 2,576 1,579 18,580 1,583 1,584 3.1,587 9.667,588 5.426,589 4.056,590 1.743,591 1.782,592 1.305,593 0.971,594 4.421,595 7.623,596 3.277,597 3.801,598 4.25,599 4.677,600 4.894,601 4.761,602 4.849,603 5.009,604 4.955,605 5.094,606 1,607 22,608 6.638,609 2.748,610 7.847,611 12.531,612 9.961,613 2.347,614 42.25,615 0.001,616 129.482,617 74.771,618 112.422,620 25.145,621 120.725,622 154.627,623 66.468,625 46.952,626 67.454,627 25.783,628 105.94,629 45.954,630 129.482,631 141.239,632 25.145,634 45.954,635 129.482,636 25.145,637 58.327,638 16.786,639 45.954,640 129.482,641 91.613,642 120.725,643 129.482,644 19.2,645 55.571,646 62.74,647 74.828,648 129.482,649 91.613,650 120.725,651 0.572,652 0.328,653 0.16,654 0.076,655 11,656 5,657 0.152,658 5,659 3.088,660 118.258,661 11,662 75.059,663 13.153,664 6.05,665 3.601,666 74.828,667 11.005,668 4.066,669 2.847,670 2.702,671 49.683,672 341.82,673 25.5,674 12.007,675 0.018,676 32.163,677 36.037,678 0.336,679 0.751,680 0.9,681 0.95,682 0.963,683 0.963,684 4.463,685 0.618,686 5.252,687 2.123,688 3.932,689 4.483,690 2.295,691 5.974,692 3.847,693 5.639,694 0.062,695 6.765,696 1.372,697 3.434,698 4.086,699 6.698,700 3.288,701 6.908,702 -0.438,703 8.378,704 0.137,705 5.442,706 6.551,707 3.57,708 9.739,709 5.305,710 8.213,711 -0.608,712 10.049,713 -1.095,714 5.771,715 6.982,716 11.264,717 5.574,718 9.546,719 -1,720 11.755,721 -1.409,722 7.223,723 8.872,724 5.062,725 13.788,726 7.036,727 10.899,728 -1.332,729 13.485,730 -2.433,731 7.923,732 9.694,733 15.638,734 7.684,735 12.267,736 -1.414,737 15.231,738 -3.059,739 9.143,740 11.323,741 6.64,742 17.963,743 8.908,744 2.893,745 -1.524,746 16.988,747 -3.459,748 10.015,749 12.349,750 19.966,751 9.741,752 2.679,753 8.874,754 18.752,755 -4.031,756 11.135,757 13.845,758 22.205,759 10.858,760 2.372,761 7.966,762 20.523,763 3.791,764 12.091,765 14.985,766 24.284,767 11.784,768 1.554,769 6.672,770 22.297,771 3.497,772 13.166,773 16.407,774 26.484,775 12.853,776 1.414,777 3.987,778 24.076,779 2.993,780 14.164,781 17.615,782 28.605,783 13.83,784 1.259,785 3.063,786 25.857,787 2.067,788 15.22,789 18.996,790 30.788,791 14.878,792 0.911,793 2.869,794 27.64,795 1.969,796 16.24,797 20.245,798 32.931,799 15.881,800 2835,801 5165,802 12.425,803 22.392,804 28.098,805 28.602,806 28.343,807 27.641,808 27.524,809 36.375,810 5.258,811 74.126,812 26.106,813 5.104,814 5.788,815 5.801,816 4.888,817 4.893,818 6.791,819 15.248,820 4.851,821 8.344,822 1.479,823 1.505,824 1.492,825 1.455,826 1.449,827 1.914,828 0.277,829 3.901,830 1.374,831 3.966,832 4.011,833 6.88,834 3.905,835 3.887,836 3.886,837 3.928,838 3.876,839 3.729,840 5.027,841 3.747,842 3.598,843 3.649,844 3.759,845 3.406,846 4.935,847 3.426,848 3.151,849 3.228,850 3.5,851 2.981,852 4.737,853 2.968,854 2.871,855 2.915,856 2.986,857 2.869,858 3.802,859 2.79,860 2.772,861 2.893,862 2.633,863 2.571,864 3.739,865 2.568,866 2.672,867 2.727,868 2.518,869 2.348,870 3.657,871 2.345,872 2.395,873 2.509,874 2.427,875 2.132,876 3.481,877 2.129,878 0.221,879 0.199,880 0.322,881 0.204,882 0.152,883 4.204,884 0.2,885 3.788,886 0.12,887 6.113,888 0.467,889 3.875,890 0.15,891 2.893,892 3.791,893 8.874,894 2.851,895 1.92,896 1.899,897 2.012,898 1.999,899 1.218,900 2.012,901 1.692,902 1.648,903 1.856,904 1.856,905 1.071,906 1.862,907 1.405,908 1.34,909 1.595,910 1.7,911 0.695,912 1.674,913 1.299,914 1.23,915 1.497,916 1.516,917 0.505,918 1.51,919 1.022,920 0.941,921 1.287,922 1.307,923 0.254,924 1.315,925 0.873,926 0.83,927 1.1,928 1.01,929 0.184,930 1.058,931 0.601,932 0.55,933 0.979,934 0.919,936 0.949,937 0.514,938 0.356,939 0.804,940 0.818,942 0.83,943 3.664,944 4.934,945 6.382,946 7.907,947 9.47,948 3.424,951 5.888,953 0.805,955 -0.514,956 20.965,957 53.836,958 120.126,959 144,960 152,961 154,962 154,963 32.578,964 5.841,965 71.77,966 71.77,967 11,968 11.667,969 3.7,970 2.907,971 31.065,972 53,973 42,974 0.287,975 139.413,976 232.17,977 331.927,978 2119,979 3.1,980 12.958,981 0.72,982 0.631,983 13.958,984 11.352,985 8.665,986 0.456,987 0.34,988 5.647,989 7.878,990 5.475,991 4.534,992 9.242,993 6.452,994 7.598,995 0.304,996 0.198,997 8.34,998 4.96,999 6.115,1000 0.204,1001 0.116,1002 6.875,1003 3.494,1004 4.457,1005 0.131,1006 0.063,1007 4.964,1008 2.127,1009 3.076,1010 0.088,1011 0.038,1012 3.553,1013 1.314,1014 0.446,1015 62.18,1016 0.284,1017 18.299,1018 0.793,1019 88,1020 259.68,1021 160.165,1022 292.05,1023 377.73,1024 270,1025 99,1026 239.158,1027 139.156,1028 256.926,1029 366.71,1030 241,1031 6}
{0 CHEMBL544990,1 1.714,2 8.684,3 0.671,4 0.451,5 78.165,6 9.506,7 0.55,8 3.62,9 3.758,10 3.378,11 3.175,12 4.798,13 3.143,14 4.095,15 4.264,16 3.781,17 3.568,18 5.196,19 3.497,20 4.352,21 4.552,22 3.906,23 3.661,24 5.543,25 3.542,26 4.394,27 4.632,28 3.551,29 3.565,30 5.496,31 3.421,32 4.274,33 4.527,34 3.482,35 3.398,36 5.453,37 3.302,38 4.182,39 4.419,40 3.412,41 3.333,42 5.416,43 3.214,44 4.051,45 4.309,46 3.474,47 3.182,48 5.177,49 3.053,50 3.813,51 4.075,52 3.359,53 3.04,54 4.847,55 2.896,56 0.067,57 0.518,58 5.126,59 2.74,60 12.911,61 3.553,62 0.109,63 0.778,64 10.463,65 5.059,66 18.149,67 6.535,68 0.281,69 0.877,70 21.581,71 6.662,72 51.116,73 8.435,74 0.312,75 0.845,76 34.552,77 7.524,78 50.182,79 9.293,80 0.291,81 0.766,82 17.742,83 5.646,84 46.5,85 7.663,86 0.318,87 0.686,88 22.978,89 5.466,90 50.453,91 6.988,92 0.282,93 0.594,94 18.083,95 4.861,96 45.722,97 6.28,98 0.174,99 0.502,100 17.218,101 3.645,102 24.785,103 4.936,104 17,105 27,106 0.319,107 0.73,108 0.877,109 0.903,110 0.903,111 0.903,112 3.009,113 0.998,114 -2.4,115 -2.43,116 -2.38,117 1,118 38.2,120 3,121 1,122 2,123 2,124 2,125 2,126 4,127 2,128 2,129 5,130 2,131 2,132 5,133 5,134 4,135 2,136 3,137 2,138 3,139 2,140 2,141 3,142 2,143 1,144 1,145 2,146 2,147 1,148 1,150 3,153 1,154 2,155 2,157 1,158 1,159 1,163 3,165 1,166 1,169 1,170 1,171 1,174 430,175 12.43,176 12.43,177 12.43,178 12.43,179 12.43,180 10.85,181 13.072,182 7.361,183 12.702,184 9.835,185 9.835,186 9.835,187 9.835,188 9.835,189 7.527,190 13.324,191 3.511,192 10.339,193 3.374,194 1.164,195 0.375,196 0.235,197 0.235,198 0.235,199 3.659,202 342,203 3.162,204 60.69,205 69.35,206 1.385,207 21.283,210 0.8,211 0.9,212 40.75,213 165,214 4.231,215 3.782,216 6.006,217 3.866,218 2.882,219 3.876,220 8.556,221 2.855,222 4.013,223 3.125,224 5.899,225 3.698,226 2.74,227 3.499,228 0.353,229 8.107,230 2.597,231 3.802,232 2.756,233 5.347,234 3.396,235 2.434,236 3.097,238 6.914,239 2.324,240 3.412,241 2.484,242 5.119,243 3.043,244 2.089,245 2.676,246 6.081,247 1.946,248 2.82,249 1.922,250 4.046,251 2.358,252 1.414,253 1.949,254 3.529,255 1.307,256 2.7,257 1.694,258 3.868,259 2.29,260 1.32,261 1.74,262 3.12,263 1.246,264 2.266,265 1.254,266 3.309,267 1.896,268 0.937,269 1.16,270 2.179,271 0.888,272 2.118,273 0.898,274 3,275 1.532,276 0.618,277 0.927,278 1.372,279 0.564,280 1.52,281 0.618,282 2.76,283 1.094,284 0.225,285 0.274,286 0.494,287 0.149,288 0.96,289 0.403,290 2.378,291 0.626,292 -0.349,293 -0.413,294 -0.9,295 -0.33,296 0.73,297 -0.145,298 2.284,299 0.509,300 -0.459,301 -0.535,302 -1.121,303 -0.442,304 0.622,305 -0.388,306 1.905,307 0.16,308 -0.787,309 -1.023,310 -2.008,311 -0.594,312 0.018,313 -0.564,314 1.415,315 -0.309,316 -1.283,317 -1.509,318 -3.032,319 -1.093,320 -0.088,321 -0.945,322 1.281,323 -0.421,324 -1.363,325 -1.688,326 -3.276,327 -1.272,328 -0.118,329 -1.241,330 1.199,331 -0.549,332 -1.414,333 -1.849,334 -4.016,335 -1.344,336 9.767,337 0.514,338 0.527,339 0.028,340 23.75,341 1.25,342 12,343 0.632,344 11.75,345 0.618,346 14.917,347 0.785,348 20.233,349 0.595,350 14.534,351 0.765,352 4.594,353 0.242,354 4.464,355 0.235,356 0.253,357 0.307,358 0.921,359 1.128,360 0.506,361 0.713,362 0.857,363 0.787,364 0.713,365 1.138,366 0.58,367 0.867,368 0.681,369 0.941,370 1.07,371 1.116,372 0.905,373 1.07,374 1.193,375 1.14,376 1.23,377 0.997,378 1.171,379 1.146,380 1.31,381 1.114,382 1.017,383 0.934,384 0.344,385 0.708,386 1.186,387 0.839,388 1.171,389 0.972,390 0.905,391 0.986,392 1.297,393 1.034,394 1.057,395 0.898,396 0.594,397 0.799,398 1.252,399 0.879,400 0.828,401 0.99,402 1.088,403 0.952,404 0.637,405 0.936,406 4.5,407 0.058,408 2.222,409 1.16,410 1.048,411 0.451,412 0.395,413 0.155,414 0.083,415 0.091,416 3283,417 11112,418 1.965,419 44.1,420 4,421 5,422 1.599,423 1.81,424 3.136,425 2.943,428 1,429 58.265,430 1.714,431 3.923,432 4.712,433 4.852,434 4.852,435 4.852,436 2.55,437 3.892,438 4.222,439 3.268,440 558.868,441 7.172,442 5629.71,445 172.974,446 1.509,447 4.159,448 0.225,449 0.01,450 0.082,451 0.048,452 0.052,453 0.023,454 0.023,455 0.011,456 0.007,457 0.01,458 0.492,459 0.17,460 0.697,461 83.536,462 -0.187,463 0.11,464 -0.011,465 0.111,466 -0.166,467 0.094,468 -0.005,469 -0.017,470 0.021,471 0.012,472 -0.033,473 -0.005,474 -0.059,475 -0.114,476 -0.026,477 -0.114,478 -0.055,479 -0.185,480 -0.143,481 -0.093,482 -0.133,483 -0.143,484 -0.099,485 -0.125,486 0.058,487 -0.002,488 0.064,489 0.071,490 0.047,491 0.083,492 0.009,493 -0.032,494 -0.073,495 -0.074,496 0.015,497 -0.093,498 0.04,499 -0.007,500 0.102,501 0.084,502 -0.018,503 0.083,504 -0.062,505 -0.008,506 0.015,507 0.036,508 -0.067,509 0.043,510 1.881,511 5.019,512 0.579,513 13.152,514 1.008,515 1.133,516 1.167,517 1.362,518 0.688,519 3.045,520 3.332,521 3.497,522 3.611,523 3.664,524 3.584,525 3.555,526 3.466,527 3.296,528 3.258,529 5.299,530 0.647,531 323.22,532 3.045,533 4.554,534 5.361,535 6.201,536 7.024,537 7.862,538 8.69,539 9.528,540 10.358,541 11.195,542 11.8,543 1,544 5,545 4,546 11,547 1,550 1,551 34,552 12,553 1,554 20,555 1,556 35,557 13,558 9,559 3,560 3,561 2,562 2,564 10,565 3,566 1,567 15,568 4,569 5,570 6,571 1,572 4,573 1,574 1,575 2,576 1,579 19,580 2,583 1,584 2.9,587 10.5,588 5.676,589 4.222,590 1.77,591 1.76,592 1.295,593 0.978,594 4.61,595 7.721,596 3.314,597 3.866,598 4.312,599 4.744,600 4.998,601 4.995,602 5.05,603 5.128,604 4.913,605 5.154,606 0.833,607 24,608 6.996,609 2.917,610 7.917,611 13.098,612 10.444,613 2.417,614 45.917,615 0.001,616 117.711,617 68.051,618 145.32,620 25.145,621 114.006,622 142.856,623 99.365,625 70.373,626 67.454,627 28.54,628 94.169,629 45.954,630 117.711,631 167.417,632 25.145,634 45.954,635 117.711,636 25.145,637 84.504,638 16.786,639 45.954,640 117.711,641 124.51,642 114.006,643 117.711,644 21.957,645 46.095,646 62.74,647 107.725,648 117.711,649 124.51,650 114.006,651 0.582,652 0.331,653 0.154,654 0.074,655 12,656 6,657 0.143,658 5,659 3.161,660 127.864,661 11,662 80.711,663 14.092,664 6.215,665 3.817,666 107.725,667 8.784,668 4.057,669 2.838,670 3.093,671 82.58,672 356.227,673 26.5,674 12.019,675 -0.023,676 34.265,677 38.535,678 0.337,679 0.771,680 0.926,681 0.954,682 0.954,683 0.954,684 4.519,685 0.618,686 5.342,687 2.179,688 4.007,689 4.549,690 2.295,691 6.075,692 3.921,693 5.714,694 0.225,695 6.868,696 1.372,697 3.611,698 4.29,699 6.804,700 3.472,701 6.999,702 -0.349,703 8.487,704 0.494,705 5.541,706 6.649,707 3.57,708 9.819,709 5.403,710 8.316,711 -0.459,712 10.157,713 -0.9,714 5.916,715 7.168,716 11.284,717 5.724,718 9.658,719 -0.787,720 11.857,721 -1.121,722 7.326,723 8.994,724 5.062,725 13.804,726 7.141,727 11.017,728 -1.283,729 13.576,730 -2.008,731 8.042,732 9.875,733 15.583,734 7.813,735 12.388,736 -1.363,737 15.308,738 -3.032,739 9.241,740 11.469,741 6.64,742 17.904,743 9.015,744 2.882,745 -1.414,746 17.049,747 -3.276,748 10.118,749 12.541,750 19.84,751 9.859,752 2.74,753 8.556,754 18.797,755 -4.016,756 11.226,757 14.019,758 22.067,759 10.964,760 2.434,761 8.107,762 20.551,763 3.876,764 12.182,765 15.199,766 24.088,767 11.896,768 2.089,769 6.914,770 22.309,771 3.499,772 13.25,773 16.616,774 26.268,775 12.959,776 1.414,777 6.081,778 24.07,779 3.097,780 14.245,781 17.86,782 28.336,783 13.937,784 1.32,785 3.529,786 25.835,787 2.676,788 15.296,789 19.245,790 30.492,791 14.981,792 0.937,793 3.12,794 27.602,795 1.949,796 16.313,797 20.527,798 32.588,799 15.985,800 3321,801 6180,802 12.83,803 23.398,804 29.913,805 30.47,806 30.109,807 29.336,808 29.318,809 38.394,810 5.258,811 80.705,812 27.75,813 5.13,814 5.782,815 5.621,816 4.879,817 4.882,818 6.876,819 14.847,820 4.855,821 10.294,822 1.496,823 1.523,824 1.505,825 1.467,826 1.466,827 1.92,828 0.263,829 4.035,830 1.388,831 3.972,832 4.016,833 6.88,834 3.906,835 3.893,836 3.893,837 3.94,838 3.884,839 3.73,840 5.105,841 3.749,842 3.605,843 3.655,844 3.788,845 3.422,846 5.025,847 3.437,848 3.182,849 3.263,850 3.494,851 3.039,852 4.935,853 3.01,854 3.006,855 3.1,856 2.985,857 2.806,858 4.499,859 2.803,860 2.779,861 2.893,862 2.837,863 2.628,864 3.817,865 2.601,866 2.687,867 2.749,868 2.556,869 2.36,870 3.663,871 2.352,872 2.397,873 2.512,874 2.443,875 2.133,876 3.485,877 2.129,878 0.212,879 0.189,880 0.3,881 0.193,882 0.144,883 4.231,884 0.194,885 3.782,886 0.114,887 6.006,888 0.428,889 3.866,890 0.143,891 2.882,892 3.876,893 8.556,894 2.855,895 1.923,896 1.901,897 2.011,898 2.011,899 1.216,900 2.019,901 1.693,902 1.65,903 1.848,904 1.861,905 1.071,906 1.863,907 1.406,908 1.343,909 1.589,910 1.7,911 0.688,912 1.674,913 1.301,914 1.233,915 1.475,916 1.522,917 0.503,918 1.513,919 1.038,920 0.96,921 1.294,922 1.345,923 0.25,924 1.343,925 0.965,926 0.886,927 1.251,928 1.238,929 0.187,930 1.254,931 0.617,932 0.562,933 0.979,934 0.926,936 0.953,937 0.514,938 0.356,939 0.935,940 0.861,942 0.893,943 3.714,944 5.004,945 6.463,946 7.997,947 9.571,948 3.318,951 11.659,953 0.72,955 -0.548,956 21.986,957 58.265,958 133.39,959 160.219,960 164.974,961 164.974,962 164.974,963 37.768,964 5.961,965 97.79,966 97.79,967 11,968 11.764,969 3.7,970 2.907,971 33.803,972 60,973 50,974 0.277,975 146.207,976 243.17,977 348.505,978 2454,979 2.9,980 13.828,981 0.728,982 0.624,983 14.828,984 11.852,985 9.059,986 0.453,987 0.333,988 5.837,989 8.241,990 5.659,991 4.688,992 9.636,993 6.652,994 8.21,995 0.304,996 0.193,997 8.952,998 5.224,999 6.563,1000 0.205,1001 0.111,1002 7.421,1003 3.558,1004 4.635,1005 0.129,1006 0.056,1007 4.938,1008 2.024,1009 3.199,1010 0.084,1011 0.036,1012 3.627,1013 1.378,1014 0.434,1015 64.832,1016 0.279,1017 19.276,1018 0.754,1019 94,1020 276.992,1021 167.192,1022 310.74,1023 401.84,1024 286,1025 106,1026 258.003,1027 148.097,1028 277.021,1029 394.93,1030 259,1031 5.097}
{0 CHEMBL553052,1 1.555,2 8,3 -0.077,4 0.006,5 70.542,6 7.186,7 0.579,8 3.614,9 3.762,10 3.124,11 3.117,12 4.787,13 3.098,14 4.087,15 4.268,16 3.425,17 3.488,18 5.177,19 3.433,20 4.34,21 4.559,22 3.344,23 3.551,24 5.488,25 3.449,26 4.38,27 4.641,28 3.26,29 3.464,30 5.457,31 3.35,32 4.27,33 4.529,34 3.257,35 3.351,36 5.447,37 3.264,38 4.172,39 4.426,40 3.12,41 3.244,42 5.399,43 3.149,44 4.041,45 4.313,46 2.829,47 3.097,48 5.105,49 2.966,50 3.797,51 4.085,52 2.637,53 2.901,54 4.769,55 2.775,56 0.049,57 0.524,58 7.333,59 2.668,60 12.285,61 3.867,62 0.08,63 0.778,64 12.32,65 4.714,66 17.111,67 6.765,68 0.217,69 0.86,70 17.126,71 5.747,72 48.77,73 8.42,74 0.233,75 0.819,76 18.776,77 5.869,78 47.132,79 8.777,80 0.248,81 0.744,82 16.801,83 4.945,84 45.125,85 7.563,86 0.27,87 0.664,88 15.239,89 4.374,90 49.854,91 6.733,92 0.214,93 0.575,94 13.585,95 4.025,96 42.986,97 6.126,98 0.125,99 0.484,100 10.378,101 2.822,102 23.333,103 4.724,104 10,105 25,106 0.289,107 0.691,108 0.859,109 0.903,110 0.903,111 0.903,112 2.959,113 0.908,114 -1.74,115 -1.8,116 -1.82,118 38.2,120 4,121 1,122 1,123 2,124 2,125 2,126 5,127 2,128 3,129 6,130 3,131 2,132 4,133 4,134 3,135 2,136 3,137 2,138 3,139 2,140 2,141 2,142 2,143 2,144 1,145 2,146 2,147 1,148 1,150 2,153 1,154 3,155 2,156 1,157 2,158 1,159 1,163 2,168 1,169 1,170 1,171 1,174 378,175 11.93,176 11.93,177 11.93,178 11.93,179 11.93,180 10.403,181 13.101,182 7.228,183 12.07,184 9.384,185 9.384,186 9.384,187 9.384,188 9.384,189 7.147,190 14.072,191 3.472,192 9.595,193 3.533,194 1.374,195 0.471,196 0.235,197 0.235,198 0.235,199 3.61,202 300,203 3.082,204 56.319,205 65.483,206 1.333,207 19.716,210 0.8,211 0.9,212 39,213 144,214 4.111,215 3.781,216 5.969,217 3.841,218 2.836,219 3.666,220 8.426,221 2.851,222 3.97,223 2.795,224 5.491,225 3.591,226 2.61,227 3.497,228 0.353,229 7.396,230 2.562,231 3.75,232 2.708,233 5.271,234 3.353,235 2.377,236 3.023,238 6.618,239 2.309,240 3.244,241 2.155,242 4.738,243 2.902,244 1.922,245 2.473,246 5.24,247 1.88,248 2.714,249 1.916,250 3.855,251 2.308,252 1.33,253 1.776,254 3.114,255 1.293,256 2.648,257 1.254,258 3.477,259 2.168,260 1.18,261 1.7,262 2.583,263 1.164,264 2.257,265 1.24,266 3.294,267 1.882,268 0.91,269 1.141,270 2.13,271 0.878,272 2.118,273 0.618,274 3,275 1.532,276 0.618,277 0.927,278 1.372,279 0.564,280 1.185,281 0.59,282 2.664,283 0.827,284 -0.205,285 -0.263,286 -0.515,287 -0.209,288 0.886,289 -0.139,290 2.137,291 0.535,292 -0.426,293 -0.502,294 -1.009,295 -0.407,296 0.729,297 -0.245,298 2,299 0.508,300 -0.462,301 -0.552,302 -1.121,303 -0.445,304 0.479,305 -0.426,306 1.683,307 0.033,308 -1,309 -1.39,310 -2.567,311 -1.027,312 -0.062,313 -0.882,314 1.363,315 -0.334,316 -1.321,317 -1.546,318 -3.06,319 -1.272,320 -0.09,321 -1.213,322 1.12,323 -0.424,324 -1.384,325 -1.825,326 -3.398,327 -1.344,328 -0.118,329 -1.334,330 1.108,331 -0.559,332 -1.536,333 -1.897,334 -4.035,335 -1.497,336 8.433,337 0.469,338 0.438,339 0.024,340 23.25,341 1.292,342 12,343 0.667,344 11.25,345 0.625,346 11.671,347 0.648,348 19.767,349 0.581,350 15.101,351 0.839,352 4.777,353 0.265,354 3.871,355 0.215,356 0.134,357 0.296,358 0.958,359 1.18,360 0.888,361 0.955,362 0.861,363 0.899,364 0.721,365 1.199,366 0.909,367 1.162,368 0.677,369 1.076,370 1.119,371 1.125,372 1.182,373 1.212,374 1.235,375 1.215,376 1.154,377 0.973,378 0.997,379 1.018,380 1.265,381 1.001,382 1.086,383 0.962,384 0.924,385 0.962,386 1.193,387 0.928,388 1.146,389 0.971,390 1.034,391 1,392 1.253,393 1.003,394 1.262,395 0.913,396 1.062,397 0.911,398 1.351,399 0.969,400 0.859,401 0.964,402 1.031,403 0.887,404 0.682,405 0.947,406 4,407 0.025,408 1.556,409 1.097,410 0.857,411 0.396,412 0.315,413 0.093,414 0.067,415 0.051,416 2860,417 8047,418 1.994,419 47.1,420 5,421 5,422 1.584,423 1.862,424 3.045,425 2.971,429 52.868,430 1.555,431 3.713,432 4.617,433 4.852,434 4.852,435 4.852,436 2.489,437 3.308,438 4.145,439 3.187,440 487.675,441 7.017,442 4736.63,445 172.974,446 1.415,447 4.096,448 0.211,449 0.006,450 0.062,451 0.052,452 0.045,453 0.021,454 0.02,455 0.008,456 0.007,457 0.006,458 0.438,459 0.33,460 0.662,461 77.401,462 -0.176,463 0.091,464 -0.016,465 0.126,466 -0.16,467 0.094,468 0.003,469 -0.05,470 -0.025,471 -0.08,472 -0.028,473 -0.059,474 -0.091,475 -0.111,476 -0.237,477 -0.197,478 -0.092,479 -0.234,480 -0.063,481 -0.07,482 -0.007,483 -0.044,484 -0.052,485 -0.024,486 0.065,487 -0.033,488 0.077,489 -0.014,490 0.049,491 0.027,492 0.079,493 -0.036,494 -0.03,495 -0.06,496 0.069,497 -0.059,498 -0.129,499 -0.029,500 -0.059,501 0.039,502 -0.116,503 -0.006,504 -0.135,505 0.008,506 -0.063,507 0.029,508 -0.12,509 0.006,510 1.866,511 4.946,512 0.611,513 12,514 1.001,515 1.138,516 0.507,517 0.257,518 0.648,519 2.996,520 3.258,521 3.401,522 3.555,523 3.555,524 3.466,525 3.401,526 3.332,527 3.219,528 3.091,529 5.074,530 0.617,531 244.33,532 2.996,533 4.489,534 5.283,535 6.116,536 6.925,537 7.758,538 8.571,539 9.405,540 10.22,541 11.053,542 11.8,543 1,544 6,545 3,546 11,547 1,551 34,552 12,553 1,554 19,556 35,557 13,558 9,559 2,560 4,561 2,562 2,564 10,565 3,567 16,568 4,569 5,570 5,572 4,573 1,574 1,575 2,579 18,580 2,584 2.9,587 9.667,588 5.617,589 4.028,590 1.783,591 1.754,592 1.3,593 0.973,594 3.998,595 7.594,596 3.277,597 3.801,598 4.229,599 4.684,600 4.877,601 4.834,602 4.853,603 5.044,604 4.862,605 5.03,606 1,607 21,608 6.629,609 2.758,610 7.917,611 12.428,612 9.877,613 2.417,614 43.5,615 0.001,616 129.482,617 74.473,618 99.365,620 25.145,621 74.473,622 154.627,623 99.365,625 79.85,626 67.454,627 25.485,628 105.94,630 129.482,631 173.838,632 25.145,635 129.482,636 25.145,637 90.925,638 16.786,640 129.482,641 124.51,642 74.473,643 129.482,644 18.902,645 55.571,646 16.786,647 107.725,648 129.482,649 124.51,650 74.473,651 0.572,652 0.316,653 0.159,654 0.074,655 11,656 5,657 0.143,658 5,659 3.106,660 117.449,661 11,662 75.059,663 12.647,664 5.691,665 3.595,666 107.725,667 10.599,668 4.052,669 2.837,670 2.335,671 82.58,672 328.465,673 25.5,674 11.946,675 -0.011,676 34.036,677 38.694,678 0.306,679 0.73,680 0.908,681 0.954,682 0.954,683 0.954,684 4.463,685 0.618,686 5.242,687 2.13,688 3.932,689 4.483,690 2.295,691 5.943,692 3.897,693 5.639,694 -0.205,695 6.737,696 1.372,697 3.434,698 4.086,699 6.581,700 3.414,701 6.904,702 -0.426,703 8.325,704 -0.515,705 5.425,706 6.538,707 3.57,708 9.606,709 5.373,710 8.2,711 -0.462,712 9.964,713 -1.009,714 5.707,715 6.918,716 11.008,717 5.67,718 9.522,719 -1,720 11.635,721 -1.121,722 7.16,723 8.819,724 5.062,725 13.522,726 7.103,727 10.86,728 -1.321,729 13.327,730 -2.567,731 7.804,732 9.572,733 15.257,734 7.76,735 12.211,736 -1.384,737 15.034,738 -3.06,739 9.024,740 11.215,741 6.64,742 17.563,743 8.97,744 2.836,745 -1.536,746 16.751,747 -3.398,748 9.848,749 12.17,750 19.469,751 9.805,752 2.61,753 8.426,754 18.477,755 -4.035,756 10.96,757 13.675,758 21.679,759 10.914,760 2.377,761 7.396,762 20.209,763 3.666,764 11.876,765 14.748,766 23.677,767 11.84,768 1.922,769 6.618,770 21.947,771 3.497,772 12.939,773 16.172,774 25.841,775 12.904,776 1.33,777 5.24,778 23.689,779 3.023,780 13.904,781 17.319,782 27.891,783 13.88,784 1.18,785 3.114,786 25.436,787 2.473,788 14.945,789 18.695,790 30.033,791 14.924,792 0.91,793 2.583,794 27.186,795 1.776,796 15.937,797 19.888,798 32.114,799 15.926,800 2880,801 4892,802 12.425,803 22.046,804 28.149,805 28.507,806 28.151,807 27.489,808 27.567,809 36.408,810 5.258,811 73.757,812 27.001,813 5.009,814 5.781,815 5.583,816 4.853,817 4.836,818 6.666,819 14.675,820 4.851,821 8.469,822 1.482,823 1.5,824 1.482,825 1.447,826 1.451,827 1.916,828 0.277,829 3.882,830 1.421,831 3.97,832 4.017,833 3.904,834 3.88,835 3.879,836 3.891,837 3.941,838 3.828,839 3.726,840 5.111,841 3.746,842 3.604,843 3.656,844 3.52,845 3.407,846 5.025,847 3.429,848 3.178,849 3.265,850 3.022,851 2.987,852 4.935,853 2.983,854 3.005,855 3.101,856 2.843,857 2.803,858 4.498,859 2.801,860 2.774,861 2.893,862 2.624,863 2.556,864 3.747,865 2.563,866 2.68,867 2.755,868 2.464,869 2.326,870 3.657,871 2.336,872 2.396,873 2.52,874 2.207,875 2.132,876 3.482,877 2.129,878 0.216,879 0.199,880 0.314,881 0.202,882 0.149,883 4.111,884 0.193,885 3.781,886 0.12,887 5.969,888 0.443,889 3.841,890 0.15,891 2.836,892 3.666,893 8.426,894 2.851,895 1.926,896 1.899,897 2.043,898 2.025,899 1.213,900 2.033,901 1.694,902 1.649,903 1.86,904 1.868,905 1.068,906 1.869,907 1.407,908 1.342,909 1.596,910 1.701,911 0.691,912 1.675,913 1.303,914 1.232,915 1.5,916 1.529,917 0.504,918 1.521,919 1.041,920 0.958,921 1.299,922 1.348,923 0.254,924 1.345,925 0.966,926 0.885,927 1.261,928 1.248,929 0.187,930 1.263,931 0.626,932 0.556,933 0.981,934 0.94,935 0.007,936 0.959,937 0.514,938 0.356,939 0.958,940 0.872,942 0.905,943 3.664,944 4.934,945 6.372,946 7.883,947 9.432,951 11.523,953 0.751,955 -0.533,956 20.961,957 52.868,958 126.245,959 156.974,960 164.974,961 164.974,962 164.974,963 33.254,964 5.841,965 97.79,966 97.79,967 11,968 11.627,969 3.7,970 2.907,971 31.102,972 54,973 42,974 0.281,975 134.293,976 223.89,977 319.435,978 2119,980 12.958,981 0.72,982 0.554,983 12.958,984 9.966,985 8.648,986 0.455,987 0.303,988 5.683,989 8.367,990 5.557,991 4.631,992 8.648,993 5.753,994 7.714,995 0.309,996 0.17,997 7.714,998 4.259,999 5.901,1000 0.203,1001 0.094,1002 5.901,1003 2.727,1004 4.536,1005 0.133,1006 0.052,1007 4.536,1008 1.777,1009 2.943,1010 0.087,1011 0.03,1012 2.943,1013 1.029,1014 0.439,1015 53.996,1016 0.284,1017 18.367,1018 0.769,1019 88,1020 250.338,1021 95.321,1022 248.776,1023 329.89,1024 230,1025 98,1026 233.27,1027 105.072,1028 239.626,1029 338.35,1030 224,1031 7.301}
{0 CHEMBL553218,1 1.606,2 8,3 0.402,4 0.162,5 67.536,6 7.434,7 0.579,8 3.593,9 3.721,10 3.128,11 3.096,12 4.798,13 3.087,14 4.062,15 4.228,16 3.433,17 3.461,18 5.206,19 3.419,20 4.324,21 4.53,22 3.351,23 3.515,24 5.517,25 3.428,26 4.34,27 4.585,28 3.267,29 3.417,30 5.471,31 3.323,32 4.24,33 4.482,34 3.258,35 3.306,36 5.467,37 3.238,38 4.121,39 4.354,40 3.132,41 3.202,42 5.452,43 3.125,44 4.012,45 4.273,46 2.84,47 3.055,48 5.133,49 2.938,50 3.748,51 4.002,52 2.639,53 2.833,54 4.809,55 2.735,56 0.069,57 0.488,58 6.831,59 2.755,60 13.861,61 3.661,62 0.106,63 0.738,64 11.529,65 4.657,66 19.528,67 6.337,68 0.282,69 0.819,70 16.733,71 5.784,72 56.555,73 7.997,74 0.29,75 0.782,76 18.027,77 5.737,78 53.25,79 8.204,80 0.32,81 0.71,82 16.408,83 4.915,84 52.333,85 7.099,86 0.346,87 0.639,88 14.302,89 4.183,90 60.528,91 6.173,92 0.268,93 0.546,94 13.317,95 4.019,96 49.111,97 5.935,98 0.183,99 0.436,100 10.04,101 2.914,102 29.916,103 4.328,104 10,105 25,106 0.301,107 0.718,108 0.865,109 0.911,110 0.911,111 0.911,112 2.959,113 0.898,114 -1.74,115 -1.8,116 -1.82,118 39.4,120 4,121 1,122 1,123 1,124 1,125 1,126 5,127 2,128 3,129 6,130 1,131 2,132 4,133 4,134 1,135 2,136 3,137 2,138 1,139 2,140 2,141 2,142 2,143 2,145 2,146 2,147 1,148 1,150 2,153 1,154 3,155 1,156 1,157 1,159 1,163 2,168 1,170 1,171 1,174 378,175 11.93,176 11.93,177 11.93,178 11.93,179 11.93,180 10.403,181 12.096,182 7.228,183 12.091,184 9.384,185 9.384,186 9.384,187 9.384,188 9.384,189 7.147,190 12.125,191 3.472,192 9.635,193 3.438,194 1.208,195 0.424,196 0.182,197 0.182,198 0.182,199 3.61,202 300,203 3.082,204 56.319,205 65.483,206 1.333,207 22.802,210 0.8,211 0.9,212 39.5,213 144,214 4.111,215 3.782,216 5.969,217 3.841,218 2.836,219 3.666,220 8.426,221 2.849,222 3.97,223 2.828,224 5.491,225 3.585,226 2.61,227 3.497,228 0.353,229 7.396,230 2.546,231 3.75,232 2.73,233 5.271,234 3.35,235 2.377,236 3.023,238 6.618,239 2.302,240 3.244,241 2.26,242 4.738,243 2.887,244 1.922,245 2.473,246 5.24,247 1.847,248 2.714,249 1.918,250 3.855,251 2.306,252 1.33,253 1.776,254 3.114,255 1.29,256 2.648,257 1.264,258 3.477,259 2.166,260 1.18,261 1.7,262 2.583,263 1.161,264 2.257,265 1.252,266 3.294,267 1.882,268 0.91,269 1.141,270 2.13,271 0.878,272 2.118,273 0.618,274 3,275 1.532,276 0.618,277 0.927,278 1.372,279 0.564,280 1.185,281 0.591,282 2.664,283 0.827,284 -0.205,285 -0.263,286 -0.515,287 -0.209,288 0.886,289 -0.057,290 2.137,291 0.516,292 -0.426,293 -0.502,294 -1.009,295 -0.391,296 0.729,297 -0.14,298 2,299 0.49,300 -0.462,301 -0.552,302 -1.121,303 -0.44,304 0.479,305 -0.415,306 1.683,307 0.033,308 -1,309 -1.39,310 -2.567,311 -1.027,312 -0.062,313 -0.881,314 1.363,315 -0.341,316 -1.321,317 -1.546,318 -3.06,319 -1.271,320 -0.09,321 -1.168,322 1.12,323 -0.447,324 -1.384,325 -1.825,326 -3.398,327 -1.304,328 -0.118,329 -1.322,330 1.108,331 -0.564,332 -1.536,333 -1.897,334 -4.035,335 -1.496,336 8.367,337 0.465,338 0.438,339 0.024,340 23.25,341 1.292,342 12,343 0.667,344 11.25,345 0.625,346 11.574,347 0.643,348 19.833,349 0.601,350 15.198,351 0.844,352 4.795,353 0.266,354 3.853,355 0.214,356 0.127,357 0.299,358 0.929,359 1.183,360 0.852,361 0.973,362 0.844,363 0.898,364 0.696,365 1.187,366 0.896,367 1.174,368 0.655,369 1.082,370 1.096,371 1.088,372 1.166,373 1.178,374 1.183,375 1.19,376 1.076,377 0.96,378 0.996,379 1.014,380 1.177,381 0.999,382 1.119,383 0.944,384 0.93,385 0.92,386 1.202,387 0.901,388 0.961,389 1.004,390 1.052,391 1.023,392 1.068,393 1.039,394 1.036,395 0.91,396 1.006,397 0.9,398 1.08,399 0.951,400 1.193,401 0.947,402 1.063,403 0.864,404 1,405 0.927,406 4,407 0.025,408 1.556,409 1.097,410 0.857,411 0.396,412 0.315,413 0.093,414 0.067,415 0.051,416 2860,417 8727,418 1.994,419 45.5,420 5,421 4,422 1.584,423 1.862,424 3.045,425 2.05,429 53.001,430 1.606,431 3.836,432 4.62,433 4.863,434 4.863,435 4.863,436 2.489,437 3.308,438 4.145,439 3.187,440 487.675,441 7.017,442 4736.63,445 166.465,446 1.415,447 4.096,448 0.211,449 0.006,450 0.062,451 0.052,452 0.045,453 0.021,454 0.02,455 0.008,456 0.007,457 0.006,458 0.438,459 0.33,460 0.662,461 77.401,462 -0.16,463 0.049,464 -0.021,465 0.11,466 -0.142,467 0.082,468 -0.011,469 -0.041,470 -0.043,471 -0.11,472 -0.021,473 -0.085,474 -0.105,475 -0.094,476 -0.226,477 -0.175,478 -0.099,479 -0.217,480 -0.073,481 -0.045,482 -0.007,483 -0.049,484 -0.062,485 -0.022,486 -0.006,487 -0.019,488 0.078,489 0.022,490 -0.01,491 0.054,492 0.124,493 -0.035,494 -0.061,495 -0.092,496 0.117,497 -0.1,498 -0.033,499 -0.027,501 0.049,502 -0.032,503 0.027,504 -0.192,505 -0.019,506 -0.065,507 0.073,508 -0.171,509 0.034,510 1.907,511 4.905,512 0.611,513 12,514 1.008,515 1.133,516 0.507,517 0.257,518 0.651,519 2.996,520 3.258,521 3.401,522 3.555,523 3.555,524 3.466,525 3.401,526 3.332,527 3.219,528 3.091,529 5.074,530 0.626,531 245.31,532 2.996,533 4.489,534 5.283,535 6.116,536 6.925,537 7.758,538 8.571,539 9.405,540 10.22,541 11.053,542 9.1,544 6,545 3,546 11,548 1,551 33,552 12,553 1,554 19,556 34,557 13,558 9,559 2,560 4,561 2,562 2,564 10,565 3,567 15,568 4,569 4,570 5,572 3,573 2,574 1,575 2,579 18,580 1,581 1,584 6.1,585 1,587 9.667,588 5.483,589 4.028,590 1.75,591 1.754,592 1.3,593 0.932,594 3.998,595 7.594,596 3.277,597 3.801,598 4.229,599 4.684,600 4.877,601 4.834,602 4.853,603 5.044,604 4.862,605 5.03,606 1,607 21,608 6.639,609 2.787,610 8.028,611 12.336,612 9.806,613 2.528,614 45.5,615 0.001,616 129.482,617 71.716,618 66.468,620 67.828,621 71.716,622 197.31,623 66.468,625 46.952,626 110.137,627 22.728,628 105.94,630 129.482,631 138.184,632 67.828,635 129.482,636 67.828,637 55.271,638 16.786,640 129.482,641 134.297,642 71.716,643 129.482,644 16.145,645 55.571,646 16.786,647 117.511,648 129.482,649 134.297,650 71.716,651 0.572,652 0.316,653 0.159,654 0.074,655 11,656 5,657 0.147,658 5,659 3.106,660 117.449,661 11,662 75.059,663 12.647,664 5.691,665 3.595,666 117.511,667 9.913,668 4.032,669 2.82,670 1.686,671 92.366,672 335.495,673 25.5,674 11.905,675 -0.066,676 33.262,677 37.405,678 0.318,679 0.76,680 0.916,681 0.964,682 0.964,683 0.964,684 4.463,685 0.618,686 5.242,687 2.13,688 3.932,689 4.483,690 2.295,691 5.943,692 3.889,693 5.639,694 -0.205,695 6.737,696 1.372,697 3.434,698 4.086,699 6.581,700 3.395,701 6.904,702 -0.426,703 8.325,704 -0.515,705 5.425,706 6.538,707 3.57,708 9.606,709 5.359,710 8.2,711 -0.462,712 9.964,713 -1.009,714 5.707,715 6.918,716 11.008,717 5.647,718 9.522,719 -1,720 11.635,721 -1.121,722 7.16,723 8.819,724 5.062,725 13.522,726 7.085,727 10.86,728 -1.321,729 13.327,730 -2.567,731 7.804,732 9.572,733 15.257,734 7.736,735 12.211,736 -1.384,737 15.034,738 -3.06,739 9.024,740 11.215,741 6.64,742 17.563,743 8.949,744 2.836,745 -1.536,746 16.751,747 -3.398,748 9.848,749 12.17,750 19.469,751 9.78,752 2.61,753 8.426,754 18.477,755 -4.035,756 10.96,757 13.675,758 21.679,759 10.891,760 2.377,761 7.396,762 20.209,763 3.666,764 11.876,765 14.748,766 23.677,767 11.816,768 1.922,769 6.618,770 21.947,771 3.497,772 12.939,773 16.172,774 25.841,775 12.88,776 1.33,777 5.24,778 23.689,779 3.023,780 13.904,781 17.319,782 27.891,783 13.854,784 1.18,785 3.114,786 25.436,787 2.473,788 14.945,789 18.695,790 30.033,791 14.899,792 0.91,793 2.583,794 27.186,795 1.776,796 15.937,797 19.888,798 32.114,799 15.901,800 2880,801 5092,802 12.425,803 21.495,804 28.149,805 28.444,806 28.151,807 27.518,808 27.567,809 36.408,810 5.258,811 73.757,812 26.872,813 5.009,814 5.782,815 5.583,816 4.852,817 4.836,818 6.666,819 14.675,820 4.849,821 8.469,822 1.482,823 1.497,824 1.482,825 1.448,826 1.451,827 1.916,828 0.277,829 3.882,830 1.414,831 3.967,832 4.012,833 3.902,834 3.873,835 3.873,836 3.887,837 3.93,838 3.826,839 3.725,840 6.471,841 3.745,842 3.6,843 3.65,844 3.518,845 3.404,846 5.027,847 3.426,848 3.161,849 3.233,850 3.008,851 2.975,852 4.935,853 2.971,854 2.929,855 2.969,856 2.799,857 2.746,858 4.614,859 2.748,860 2.773,861 2.893,862 2.623,863 2.551,864 3.748,865 2.559,866 2.675,867 2.74,868 2.463,869 2.323,870 3.657,871 2.334,872 2.395,873 2.509,874 2.207,875 2.132,876 3.483,877 2.129,878 0.216,879 0.199,880 0.314,881 0.202,882 0.149,883 4.111,884 0.193,885 3.782,886 0.12,887 5.969,888 0.443,889 3.841,890 0.15,891 2.836,892 3.666,893 8.426,894 2.849,895 1.916,896 1.893,897 2.032,898 2.015,899 1.21,900 2.021,901 1.691,902 1.648,903 1.857,904 1.863,905 1.063,906 1.864,907 1.405,908 1.34,909 1.593,910 1.7,911 0.683,912 1.674,913 1.298,914 1.23,915 1.491,916 1.519,917 0.503,918 1.509,919 1.021,920 0.943,921 1.287,922 1.312,923 0.254,924 1.316,925 0.883,926 0.838,927 1.136,928 1.135,929 0.15,930 1.13,931 0.611,932 0.548,933 0.98,934 0.935,936 0.955,937 0.514,938 0.356,939 0.927,940 0.861,942 0.883,943 3.664,944 4.934,945 6.372,946 7.883,947 9.432,951 5.828,952 9.315,953 0.64,955 -0.573,956 20.655,957 53.001,958 126.591,959 152.465,960 160.465,961 160.465,962 160.465,963 35.844,964 5.841,965 92,966 92,967 11,968 11.627,969 3.7,970 2.907,971 31.102,972 54,973 42,974 0.281,975 131.495,976 221.68,977 312.608,978 2119,980 12.958,981 0.72,982 0.546,983 12.958,984 9.836,985 8.648,986 0.455,987 0.299,988 5.612,989 8.332,990 5.499,991 4.567,992 8.648,993 5.688,994 7.714,995 0.309,996 0.167,997 7.714,998 4.184,999 5.901,1000 0.203,1001 0.093,1002 5.901,1003 2.686,1004 4.536,1005 0.133,1006 0.051,1007 4.536,1008 1.74,1009 2.943,1010 0.087,1011 0.03,1012 2.943,1013 1.01,1014 0.439,1015 54.285,1016 0.284,1017 18.367,1018 0.769,1019 88,1020 273.175,1021 96.398,1022 266.522,1023 349.49,1024 246,1025 98,1026 243.455,1027 105.901,1028 247.891,1029 350.73,1030 232,1031 6.523}
{0 CHEMBL555499,1 1.782,2 8.684,3 2.166,4 4.693,5 81.087,6 12.097,7 0.55,8 3.56,9 3.677,10 3.544,11 3.201,12 4.711,13 3.149,14 4.048,15 4.2,16 4.001,17 3.604,18 5.145,19 3.511,20 4.303,21 4.488,22 4.578,23 3.736,24 5.476,25 3.566,26 4.293,27 4.518,28 3.802,29 3.551,30 5.408,31 3.399,32 4.194,33 4.427,34 3.665,35 3.416,36 5.387,37 3.293,38 4.066,39 4.267,40 3.759,41 3.332,42 5.324,43 3.212,44 3.972,45 4.222,46 3.789,47 3.227,48 5.027,49 3.061,50 3.676,51 3.892,52 3.575,53 3.099,54 4.675,55 2.898,56 0.058,57 0.456,58 0.598,59 2.594,60 9.41,61 3.085,62 0.123,63 0.709,64 3.484,65 4.852,66 17.262,67 5.796,68 0.308,69 0.814,70 50.46,71 8.005,72 48.475,73 8.223,74 0.313,75 0.79,76 29.825,77 7.582,78 45.799,79 8.355,80 0.31,81 0.724,82 30.755,83 6.776,84 41.638,85 7.603,86 0.314,87 0.644,88 19.423,89 5.475,90 39.574,91 5.688,92 0.261,93 0.562,94 21.968,95 5.668,96 32.978,97 6.427,98 0.161,99 0.421,100 34.227,101 5.025,102 15.601,103 5.226,104 17,105 27,106 0.336,107 0.726,108 0.856,109 0.896,110 0.907,111 0.907,112 3.009,113 1.102,114 -3.56,115 -3.53,116 -3.37,117 2,118 40.6,120 3,121 1,122 2,123 1,124 1,125 1,126 4,127 2,128 1,129 6,130 1,131 2,132 2,133 8,134 1,135 2,136 1,137 4,138 1,139 2,140 2,141 3,142 2,143 2,145 1,146 2,147 1,148 1,150 3,154 2,156 1,157 1,159 1,163 3,165 1,166 1,168 1,171 1,174 430,175 12.43,176 12.43,177 12.43,178 12.43,179 12.43,180 10.85,181 12.164,182 7.361,183 12.835,184 9.835,185 9.835,186 9.835,187 9.835,188 9.835,189 7.527,190 11.607,191 3.511,192 10.639,193 3.218,194 1.148,195 0.461,196 0.25,197 0.188,198 0.188,199 3.659,201 1,202 342,203 3.162,204 60.69,205 69.35,206 1.385,207 19.354,210 0.8,211 0.9,212 40,213 165,214 4.231,215 3.782,216 6.006,217 3.855,218 2.882,219 3.876,220 8.556,221 2.844,222 4.013,223 3.277,224 5.899,225 3.665,226 2.74,227 3.499,228 0.353,229 8.107,230 2.509,231 3.802,232 2.757,233 5.347,234 3.387,235 2.434,236 3.097,238 6.914,239 2.284,240 3.412,241 2.487,242 5.119,243 3.022,244 2.089,245 2.676,246 6.081,247 1.786,248 2.82,249 2.079,250 4.046,251 2.299,252 1.414,253 1.949,254 3.529,255 1.267,256 2.7,257 1.92,258 3.868,259 2.285,260 1.32,261 1.74,262 3.12,263 1.156,264 2.266,265 1.254,266 3.309,267 1.896,268 0.937,269 1.16,270 2.179,271 0.888,272 2.118,273 0.902,274 3,275 1.532,276 0.618,277 0.927,278 1.372,279 0.564,280 1.52,281 0.618,282 2.76,283 1.059,284 0.225,285 0.274,286 0.494,287 0.131,288 0.96,289 0.495,290 2.378,291 0.527,292 -0.349,293 -0.413,294 -0.9,295 -0.24,296 0.73,297 -0.079,298 2.284,299 0.471,300 -0.459,301 -0.535,302 -1.121,303 -0.415,304 0.622,305 -0.17,306 1.905,307 0.139,308 -0.787,309 -1.023,310 -2.008,311 -0.515,312 0.018,313 -0.541,314 1.415,315 -0.327,316 -1.283,317 -1.509,318 -3.032,319 -1.071,320 -0.088,321 -0.945,322 1.281,323 -0.487,324 -1.363,325 -1.688,326 -3.276,327 -1.127,328 -0.118,329 -1.132,330 1.199,331 -0.633,332 -1.414,333 -1.849,334 -4.016,335 -1.272,336 10.7,337 0.563,338 0.527,339 0.028,340 23,341 1.211,342 11.5,343 0.605,344 11.5,345 0.605,346 17.643,347 0.929,348 19.3,349 0.603,350 11.808,351 0.621,352 4.173,353 0.22,354 4.885,355 0.257,356 0.318,357 0.28,358 0.784,359 1.105,360 0.476,361 0.615,362 0.719,363 0.724,364 0.721,365 1.043,366 0.565,367 0.712,368 0.699,369 0.853,370 1.083,371 0.992,372 0.729,373 0.868,374 1.234,375 1.037,376 1.23,377 0.926,378 0.753,379 0.867,380 1.417,381 0.979,382 1.071,383 0.918,384 0.703,385 0.819,386 1.227,387 0.867,388 1.28,389 1.027,390 0.782,391 0.952,392 1.579,393 1.051,394 0.779,395 0.916,396 0.741,397 0.836,398 0.871,399 0.852,400 0.805,401 1.055,402 1.748,403 1.434,404 0.348,405 1.163,406 4.5,407 0.058,408 2.222,409 1.16,410 1.048,411 0.451,412 0.395,413 0.155,414 0.083,415 0.091,416 3283,417 12564,418 1.965,419 40.6,420 4,421 3,422 1.599,423 1.81,424 3.136,425 1.2,429 57.034,430 1.782,431 3.852,432 4.539,433 4.75,434 4.813,435 4.813,436 2.55,437 3.892,438 4.222,439 3.268,440 558.868,441 7.172,442 5629.71,443 1,444 1,445 160,446 1.509,447 4.159,448 0.225,449 0.01,450 0.082,451 0.048,452 0.052,453 0.023,454 0.023,455 0.011,456 0.007,457 0.01,458 0.492,459 0.33,460 0.697,461 83.536,462 -0.129,463 0.048,464 -0.006,465 0.058,466 -0.107,467 0.057,468 -0.019,469 0.031,470 0.015,471 0.042,472 -0.048,473 -0.002,474 -0.065,475 -0.029,476 0.154,477 0.061,478 -0.064,479 -0.095,480 -0.136,481 0.001,482 -0.034,483 0.008,484 -0.101,485 -0.02,486 0.038,487 0.025,488 -0.021,489 0.036,490 0.074,491 0.086,492 -0.05,493 -0.029,494 -0.04,495 -0.099,496 -0.114,497 -0.155,498 0.143,499 -0.013,500 0.076,501 0.098,502 0.066,503 0.168,504 -0.043,505 -0.13,506 -0.209,507 -0.195,508 0.032,509 -0.07,510 1.856,511 5.045,512 0.579,513 13.152,514 1.012,515 1.121,516 2.331,517 5.436,518 0.742,519 3.045,520 3.332,521 3.497,522 3.611,523 3.664,524 3.584,525 3.555,526 3.466,527 3.296,528 3.258,529 5.299,530 0.687,531 387.09,532 3.045,533 4.554,534 5.361,535 6.201,536 7.024,537 7.862,538 8.69,539 9.528,540 10.358,541 11.195,542 9.4,544 5,545 4,546 11,550 2,551 32,552 12,553 1,554 20,555 2,556 33,557 13,558 9,559 3,560 3,561 2,562 2,564 10,565 3,566 1,567 13,568 3,569 3,570 6,571 2,572 3,573 1,574 1,575 2,576 2,579 19,580 1,583 2,584 3.1,587 10.5,588 5.486,589 4.222,590 1.723,591 1.76,592 1.295,593 0.977,594 5.051,595 7.721,596 3.314,597 3.866,598 4.312,599 4.744,600 4.998,601 4.995,602 5.05,603 5.128,604 4.913,605 5.154,606 0.833,607 24,608 7.001,609 2.901,610 7.851,611 13.201,612 10.524,613 2.351,614 44.667,615 0.001,616 117.711,617 68.35,618 158.376,620 25.145,621 160.258,622 142.856,623 66.468,625 37.476,626 67.454,627 28.838,628 94.169,629 91.908,630 117.711,631 134.818,632 25.145,634 91.908,635 117.711,636 25.145,637 51.905,638 16.786,639 91.908,640 117.711,641 91.613,642 160.258,643 117.711,644 22.255,645 46.095,646 108.694,647 74.828,648 117.711,649 91.613,650 160.258,651 0.582,652 0.331,653 0.154,654 0.074,655 12,656 6,657 0.152,658 5,659 3.161,660 127.864,661 11,662 80.711,663 14.601,664 6.572,665 4.08,666 74.828,667 9.074,668 4.07,669 2.848,670 3.638,671 49.683,672 369.582,673 26.5,674 12.045,675 0.011,676 32.393,677 35.879,678 0.356,679 0.77,680 0.908,681 0.95,682 0.963,683 0.963,684 4.519,685 0.618,686 5.342,687 2.179,688 4.007,689 4.549,690 2.295,691 6.075,692 3.872,693 5.714,694 0.225,695 6.868,696 1.372,697 3.611,698 4.29,699 6.804,700 3.353,701 6.999,702 -0.349,703 8.487,704 0.494,705 5.541,706 6.649,707 3.57,708 9.819,709 5.328,710 8.316,711 -0.459,712 10.157,713 -0.9,714 5.916,715 7.168,716 11.284,717 5.599,718 9.658,719 -0.787,720 11.857,721 -1.121,722 7.326,723 8.994,724 5.062,725 13.804,726 7.046,727 11.017,728 -1.283,729 13.576,730 -2.008,731 8.042,732 9.875,733 15.583,734 7.685,735 12.388,736 -1.363,737 15.308,738 -3.032,739 9.241,740 11.469,741 6.64,742 17.904,743 8.903,744 2.882,745 -1.414,746 17.049,747 -3.276,748 10.118,749 12.541,750 19.84,751 9.726,752 2.74,753 8.556,754 18.797,755 -4.016,756 11.226,757 14.019,758 22.067,759 10.84,760 2.434,761 8.107,762 20.551,763 3.876,764 12.182,765 15.199,766 24.088,767 11.76,768 2.089,769 6.914,770 22.309,771 3.499,772 13.25,773 16.616,774 26.268,775 12.826,776 1.414,777 6.081,778 24.07,779 3.097,780 14.245,781 17.86,782 28.336,783 13.798,784 1.32,785 3.529,786 25.835,787 2.676,788 15.296,789 19.245,790 30.492,791 14.843,792 0.937,793 3.12,794 27.602,795 1.949,796 16.313,797 20.527,798 32.588,799 15.843,800 3321,801 6592,802 12.83,803 23.745,804 29.913,805 30.661,806 30.109,807 29.531,808 29.318,809 38.394,810 5.258,811 80.705,812 26.859,813 5.13,814 5.782,815 5.621,816 4.869,817 4.882,818 6.876,819 14.847,820 4.844,821 10.294,822 1.496,823 1.533,824 1.505,825 1.477,826 1.466,827 1.92,828 0.263,829 4.035,830 1.343,831 3.967,832 4.011,833 6.928,834 3.927,835 3.899,836 3.888,837 3.926,838 6.83,839 3.733,840 5.027,841 3.75,842 3.6,843 3.647,844 3.875,845 3.428,846 4.935,847 3.438,848 3.159,849 3.223,850 3.733,851 3.05,852 4.73,853 3.009,854 2.87,855 2.915,856 3.454,857 2.853,858 3.851,859 2.782,860 2.776,861 2.892,862 2.919,863 2.628,864 3.755,865 2.6,866 2.679,867 2.72,868 2.589,869 2.36,870 3.663,871 2.352,872 2.395,873 2.509,874 2.49,875 2.133,876 3.485,877 2.129,878 0.212,879 0.189,880 0.3,881 0.193,882 0.144,883 4.231,884 0.194,885 3.782,886 0.114,887 6.006,888 0.428,889 3.855,890 0.142,891 2.882,892 3.876,893 8.556,894 2.844,895 1.917,896 1.9,897 1.989,898 1.989,899 1.219,900 2.002,901 1.691,902 1.649,903 1.837,904 1.844,905 1.074,906 1.853,907 1.404,908 1.341,909 1.585,910 1.699,911 0.69,912 1.673,913 1.296,914 1.231,915 1.455,916 1.503,917 0.503,918 1.494,919 1.016,920 0.946,921 1.268,922 1.287,923 0.25,924 1.298,925 0.872,926 0.83,927 1.067,928 1,929 0.18,930 1.048,931 0.594,932 0.554,933 0.978,934 0.912,936 0.946,937 0.514,938 0.356,939 0.715,940 0.778,942 0.79,943 3.714,944 5.004,945 6.463,946 7.997,947 9.571,948 6.814,951 5.9,953 0.789,955 -0.522,956 21.99,957 57.034,958 123.271,959 145.245,960 152,961 154,962 154,963 36.326,964 5.961,965 71.77,966 71.77,967 11,968 11.764,969 3.7,970 2.907,971 33.803,972 60,973 50,974 0.277,975 151.327,976 251.45,977 360.997,978 2454,979 6.3,980 13.828,981 0.728,982 0.697,983 15.828,984 13.239,985 9.059,986 0.453,987 0.367,988 5.795,989 7.786,990 5.568,991 4.588,992 10.213,993 7.345,994 8.21,995 0.304,996 0.221,997 9.693,998 5.971,999 6.563,1000 0.205,1001 0.145,1002 8.559,1003 4.639,1004 4.635,1005 0.129,1006 0.067,1007 5.438,1008 2.396,1009 3.199,1010 0.084,1011 0.041,1012 3.938,1013 1.573,1014 0.434,1015 72.915,1016 0.279,1017 19.276,1018 0.754,1019 94,1020 286.335,1021 232.036,1022 354.33,1023 449.2,1024 326,1025 106,1026 262.892,1027 212.027,1028 293.868,1029 421.57,1030 275,1031 7.301}