@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4851

@attribute molecule_id {CHEMBL10,CHEMBL101253,CHEMBL103667,CHEMBL105442,CHEMBL1173655,CHEMBL119385,CHEMBL1230020,CHEMBL1236107,CHEMBL1240703,CHEMBL1241674,CHEMBL124660,CHEMBL1287853,CHEMBL1289926,CHEMBL1336,CHEMBL1421,CHEMBL14762,CHEMBL1614701,CHEMBL162,CHEMBL1721885,CHEMBL1789941,CHEMBL180022,CHEMBL1908391,CHEMBL1908392,CHEMBL1908393,CHEMBL1908394,CHEMBL1908395,CHEMBL1908396,CHEMBL1908397,CHEMBL191003,CHEMBL215152,CHEMBL221959,CHEMBL223360,CHEMBL230011,CHEMBL2309006,CHEMBL2309609,CHEMBL24828,CHEMBL249697,CHEMBL255863,CHEMBL259084,CHEMBL261849,CHEMBL278041,CHEMBL288441,CHEMBL296468,CHEMBL300138,CHEMBL31965,CHEMBL377300,CHEMBL379218,CHEMBL384304,CHEMBL386051,CHEMBL428690,CHEMBL440084,CHEMBL445813,CHEMBL450786,CHEMBL464552,CHEMBL475251,CHEMBL477772,CHEMBL483321,CHEMBL491473,CHEMBL494089,CHEMBL509032,CHEMBL513909,CHEMBL521851,CHEMBL522892,CHEMBL525191,CHEMBL535,CHEMBL553,CHEMBL554,CHEMBL558752,CHEMBL572878,CHEMBL572881,CHEMBL573339,CHEMBL574738,CHEMBL576982,CHEMBL601719,CHEMBL607707,CHEMBL608154,CHEMBL7064,CHEMBL91829,CHEMBL939,CHEMBL941}
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute AMW numeric
@attribute ARR numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute ATS2s numeric
@attribute ATS2v numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS3m numeric
@attribute ATS3p numeric
@attribute ATS3s numeric
@attribute ATS3v numeric
@attribute ATS4e numeric
@attribute ATS4i numeric
@attribute ATS4m numeric
@attribute ATS4p numeric
@attribute ATS4s numeric
@attribute ATS4v numeric
@attribute ATS5e numeric
@attribute ATS5i numeric
@attribute ATS5m numeric
@attribute ATS5p numeric
@attribute ATS5s numeric
@attribute ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6i numeric
@attribute ATS6m numeric
@attribute ATS6p numeric
@attribute ATS6s numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7i numeric
@attribute ATS7m numeric
@attribute ATS7p numeric
@attribute ATS7s numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC1e numeric
@attribute ATSC1i numeric
@attribute ATSC1m numeric
@attribute ATSC1p numeric
@attribute ATSC1s numeric
@attribute ATSC1v numeric
@attribute ATSC2e numeric
@attribute ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC2p numeric
@attribute ATSC2s numeric
@attribute ATSC2v numeric
@attribute ATSC3e numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC3p numeric
@attribute ATSC3s numeric
@attribute ATSC3v numeric
@attribute ATSC4e numeric
@attribute ATSC4i numeric
@attribute ATSC4m numeric
@attribute ATSC4p numeric
@attribute ATSC4s numeric
@attribute ATSC4v numeric
@attribute ATSC5e numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5s numeric
@attribute ATSC5v numeric
@attribute ATSC6e numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6s numeric
@attribute ATSC6v numeric
@attribute ATSC7e numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7p numeric
@attribute ATSC7s numeric
@attribute ATSC7v numeric
@attribute ATSC8e numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v numeric
@attribute BAC numeric
@attribute BBI numeric
@attribute BIC0 numeric
@attribute BIC1 numeric
@attribute BIC2 numeric
@attribute BIC3 numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute BID numeric
@attribute BLI numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute Br.094 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.004 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.007 numeric
@attribute C.008 numeric
@attribute C.009 numeric
@attribute C.011 numeric
@attribute C.012 numeric
@attribute C.013 numeric
@attribute C.015 numeric
@attribute C.016 numeric
@attribute C.017 numeric
@attribute C.019 numeric
@attribute C.021 numeric
@attribute C.022 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.027 numeric
@attribute C.028 numeric
@attribute C.029 numeric
@attribute C.030 numeric
@attribute C.031 numeric
@attribute C.032 numeric
@attribute C.033 numeric
@attribute C.034 numeric
@attribute C.035 numeric
@attribute C.039 numeric
@attribute C.040 numeric
@attribute C.041 numeric
@attribute C.042 numeric
@attribute C.043 numeric
@attribute C.044 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_DA numeric
@attribute CATS2D_01_DN numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_01_NL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AP numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DD numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_NL numeric
@attribute CATS2D_02_PL numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_AP numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DD numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_DP numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_NL numeric
@attribute CATS2D_03_PL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_AP numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DD numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_DP numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_PL numeric
@attribute CATS2D_04_PP numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_AP numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DD numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_DN numeric
@attribute CATS2D_05_DP numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_05_PL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_AP numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DD numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_DP numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_PL numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_AN numeric
@attribute CATS2D_07_AP numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DD numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_DP numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_PL numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_AP numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DD numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_DP numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_PL numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_AP numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_DD numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_DP numeric
@attribute CATS2D_09_LL numeric
@attribute CATS2D_09_NL numeric
@attribute CATS2D_09_PL numeric
@attribute CENT numeric
@attribute Chi0_AEA.bo. numeric
@attribute Chi0_AEA.dm. numeric
@attribute Chi0_AEA.ed. numeric
@attribute Chi0_AEA.ri. numeric
@attribute Chi0_EA numeric
@attribute Chi0_EA.bo. numeric
@attribute Chi0_EA.dm. numeric
@attribute Chi0_EA.ed. numeric
@attribute Chi0_EA.ri. numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute Chi1_EA.bo. numeric
@attribute Chi1_EA.dm. numeric
@attribute Chi1_EA.ed. numeric
@attribute Chi1_EA.ri. numeric
@attribute CIC0 numeric
@attribute CIC1 numeric
@attribute CIC2 numeric
@attribute CIC3 numeric
@attribute CIC4 numeric
@attribute CIC5 numeric
@attribute CID numeric
@attribute Cl.089 numeric
@attribute CMC.50 numeric
@attribute CMC.80 numeric
@attribute cRo5 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr03 numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr07 numeric
@attribute D.Dtr08 numeric
@attribute D.Dtr09 numeric
@attribute D.Dtr10 numeric
@attribute D.Dtr11 numeric
@attribute D.Dtr12 numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute Depressant.50 numeric
@attribute Depressant.80 numeric
@attribute DLS_01 numeric
@attribute DLS_02 numeric
@attribute DLS_03 numeric
@attribute DLS_04 numeric
@attribute DLS_05 numeric
@attribute DLS_06 numeric
@attribute DLS_07 numeric
@attribute DLS_cons numeric
@attribute Dz numeric
@attribute ECC numeric
@attribute Eig01_AEA.bo. numeric
@attribute Eig01_AEA.dm. numeric
@attribute Eig01_AEA.ed. numeric
@attribute Eig01_AEA.ri. numeric
@attribute Eig01_EA numeric
@attribute Eig01_EA.bo. numeric
@attribute Eig01_EA.dm. numeric
@attribute Eig01_EA.ed. numeric
@attribute Eig01_EA.ri. numeric
@attribute Eig02_AEA.bo. numeric
@attribute Eig02_AEA.dm. numeric
@attribute Eig02_AEA.ed. numeric
@attribute Eig02_AEA.ri. numeric
@attribute Eig02_EA numeric
@attribute Eig02_EA.bo. numeric
@attribute Eig02_EA.dm. numeric
@attribute Eig02_EA.ed. numeric
@attribute Eig02_EA.ri. numeric
@attribute Eig03_AEA.bo. numeric
@attribute Eig03_AEA.dm. numeric
@attribute Eig03_AEA.ed. numeric
@attribute Eig03_AEA.ri. numeric
@attribute Eig03_EA numeric
@attribute Eig03_EA.bo. numeric
@attribute Eig03_EA.dm. numeric
@attribute Eig03_EA.ed. numeric
@attribute Eig03_EA.ri. numeric
@attribute Eig04_AEA.bo. numeric
@attribute Eig04_AEA.dm. numeric
@attribute Eig04_AEA.ed. numeric
@attribute Eig04_AEA.ri. numeric
@attribute Eig04_EA numeric
@attribute Eig04_EA.bo. numeric
@attribute Eig04_EA.dm. numeric
@attribute Eig04_EA.ed. numeric
@attribute Eig04_EA.ri. numeric
@attribute Eig05_AEA.bo. numeric
@attribute Eig05_AEA.dm. numeric
@attribute Eig05_AEA.ed. numeric
@attribute Eig05_AEA.ri. numeric
@attribute Eig05_EA numeric
@attribute Eig05_EA.bo. numeric
@attribute Eig05_EA.dm. numeric
@attribute Eig05_EA.ed. numeric
@attribute Eig05_EA.ri. numeric
@attribute Eig06_AEA.bo. numeric
@attribute Eig06_AEA.dm. numeric
@attribute Eig06_AEA.ed. numeric
@attribute Eig06_AEA.ri. numeric
@attribute Eig06_EA numeric
@attribute Eig06_EA.bo. numeric
@attribute Eig06_EA.dm. numeric
@attribute Eig06_EA.ed. numeric
@attribute Eig06_EA.ri. numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig07_AEA.dm. numeric
@attribute Eig07_AEA.ed. numeric
@attribute Eig07_AEA.ri. numeric
@attribute Eig07_EA numeric
@attribute Eig07_EA.bo. numeric
@attribute Eig07_EA.dm. numeric
@attribute Eig07_EA.ed. numeric
@attribute Eig07_EA.ri. numeric
@attribute Eig08_AEA.bo. numeric
@attribute Eig08_AEA.dm. numeric
@attribute Eig08_AEA.ed. numeric
@attribute Eig08_AEA.ri. numeric
@attribute Eig08_EA numeric
@attribute Eig08_EA.bo. numeric
@attribute Eig08_EA.dm. numeric
@attribute Eig08_EA.ed. numeric
@attribute Eig08_EA.ri. numeric
@attribute Eig09_AEA.bo. numeric
@attribute Eig09_AEA.dm. numeric
@attribute Eig09_AEA.ed. numeric
@attribute Eig09_AEA.ri. numeric
@attribute Eig09_EA numeric
@attribute Eig09_EA.bo. numeric
@attribute Eig09_EA.dm. numeric
@attribute Eig09_EA.ed. numeric
@attribute Eig09_EA.ri. numeric
@attribute Eig10_AEA.bo. numeric
@attribute Eig10_AEA.dm. numeric
@attribute Eig10_AEA.ed. numeric
@attribute Eig10_AEA.ri. numeric
@attribute Eig10_EA numeric
@attribute Eig10_EA.bo. numeric
@attribute Eig10_EA.dm. numeric
@attribute Eig10_EA.ed. numeric
@attribute Eig10_EA.ri. numeric
@attribute Eig11_AEA.bo. numeric
@attribute Eig11_AEA.dm. numeric
@attribute Eig11_AEA.ed. numeric
@attribute Eig11_AEA.ri. numeric
@attribute Eig11_EA numeric
@attribute Eig11_EA.bo. numeric
@attribute Eig11_EA.ed. numeric
@attribute Eig11_EA.ri. numeric
@attribute Eig12_AEA.bo. numeric
@attribute Eig12_AEA.dm. numeric
@attribute Eig12_AEA.ed. numeric
@attribute Eig12_AEA.ri. numeric
@attribute Eig12_EA numeric
@attribute Eig12_EA.bo. numeric
@attribute Eig12_EA.ed. numeric
@attribute Eig12_EA.ri. numeric
@attribute Eig13_AEA.bo. numeric
@attribute Eig13_AEA.dm. numeric
@attribute Eig13_AEA.ed. numeric
@attribute Eig13_AEA.ri. numeric
@attribute Eig13_EA numeric
@attribute Eig13_EA.bo. numeric
@attribute Eig13_EA.ed. numeric
@attribute Eig13_EA.ri. numeric
@attribute Eig14_AEA.bo. numeric
@attribute Eig14_AEA.dm. numeric
@attribute Eig14_AEA.ed. numeric
@attribute Eig14_AEA.ri. numeric
@attribute Eig14_EA numeric
@attribute Eig14_EA.bo. numeric
@attribute Eig14_EA.ed. numeric
@attribute Eig14_EA.ri. numeric
@attribute Eig15_AEA.bo. numeric
@attribute Eig15_AEA.dm. numeric
@attribute Eig15_AEA.ed. numeric
@attribute Eig15_AEA.ri. numeric
@attribute Eig15_EA numeric
@attribute Eig15_EA.bo. numeric
@attribute Eig15_EA.ed. numeric
@attribute Eig15_EA.ri. numeric
@attribute Eta_alpha numeric
@attribute Eta_alpha_A numeric
@attribute Eta_B numeric
@attribute Eta_B_A numeric
@attribute Eta_beta numeric
@attribute Eta_beta_A numeric
@attribute Eta_betaP numeric
@attribute Eta_betaP_A numeric
@attribute Eta_betaS numeric
@attribute Eta_betaS_A numeric
@attribute Eta_C numeric
@attribute Eta_C_A numeric
@attribute Eta_epsi numeric
@attribute Eta_epsi_A numeric
@attribute Eta_F numeric
@attribute Eta_F_A numeric
@attribute Eta_FL numeric
@attribute Eta_FL_A numeric
@attribute Eta_L numeric
@attribute Eta_L_A numeric
@attribute Eta_sh_p numeric
@attribute Eta_sh_x numeric
@attribute Eta_sh_y numeric
@attribute F.081 numeric
@attribute F.083 numeric
@attribute F.084 numeric
@attribute GATS1e numeric
@attribute GATS1i numeric
@attribute GATS1m numeric
@attribute GATS1p numeric
@attribute GATS1s numeric
@attribute GATS1v numeric
@attribute GATS2e numeric
@attribute GATS2i numeric
@attribute GATS2m numeric
@attribute GATS2p numeric
@attribute GATS2s numeric
@attribute GATS2v numeric
@attribute GATS3e numeric
@attribute GATS3i numeric
@attribute GATS3m numeric
@attribute GATS3p numeric
@attribute GATS3s numeric
@attribute GATS3v numeric
@attribute GATS4e numeric
@attribute GATS4i numeric
@attribute GATS4m numeric
@attribute GATS4p numeric
@attribute GATS4s numeric
@attribute GATS4v numeric
@attribute GATS5e numeric
@attribute GATS5i numeric
@attribute GATS5m numeric
@attribute GATS5p numeric
@attribute GATS5s numeric
@attribute GATS5v numeric
@attribute GATS6e numeric
@attribute GATS6i numeric
@attribute GATS6m numeric
@attribute GATS6p numeric
@attribute GATS6s numeric
@attribute GATS6v numeric
@attribute GATS7e numeric
@attribute GATS7i numeric
@attribute GATS7m numeric
@attribute GATS7p numeric
@attribute GATS7s numeric
@attribute GATS7v numeric
@attribute GATS8e numeric
@attribute GATS8i numeric
@attribute GATS8m numeric
@attribute GATS8p numeric
@attribute GATS8s numeric
@attribute GATS8v numeric
@attribute GGI1 numeric
@attribute GGI10 numeric
@attribute GGI2 numeric
@attribute GGI3 numeric
@attribute GGI4 numeric
@attribute GGI5 numeric
@attribute GGI6 numeric
@attribute GGI7 numeric
@attribute GGI8 numeric
@attribute GGI9 numeric
@attribute GMTI numeric
@attribute GMTIV numeric
@attribute GNar numeric
@attribute H. numeric
@attribute H.046 numeric
@attribute H.047 numeric
@attribute H.048 numeric
@attribute H.049 numeric
@attribute H.050 numeric
@attribute H.051 numeric
@attribute H.052 numeric
@attribute H.053 numeric
@attribute H.054 numeric
@attribute HDcpx numeric
@attribute HNar numeric
@attribute HVcpx numeric
@attribute Hy numeric
@attribute Hypertens.50 numeric
@attribute Hypertens.80 numeric
@attribute Hypnotic.80 numeric
@attribute I.099 numeric
@attribute IAC numeric
@attribute IC0 numeric
@attribute IC1 numeric
@attribute IC2 numeric
@attribute IC3 numeric
@attribute IC4 numeric
@attribute IC5 numeric
@attribute ICR numeric
@attribute IDDE numeric
@attribute IDDM numeric
@attribute IDE numeric
@attribute IDET numeric
@attribute IDM numeric
@attribute IDMT numeric
@attribute Infective.50 numeric
@attribute Infective.80 numeric
@attribute Inflammat.50 numeric
@attribute Inflammat.80 numeric
@attribute ISIZ numeric
@attribute IVDE numeric
@attribute IVDM numeric
@attribute JGI1 numeric
@attribute JGI10 numeric
@attribute JGI2 numeric
@attribute JGI3 numeric
@attribute JGI4 numeric
@attribute JGI5 numeric
@attribute JGI6 numeric
@attribute JGI7 numeric
@attribute JGI8 numeric
@attribute JGI9 numeric
@attribute JGT numeric
@attribute LLS_01 numeric
@attribute LLS_02 numeric
@attribute LOC numeric
@attribute LPRS numeric
@attribute MATS1e numeric
@attribute MATS1i numeric
@attribute MATS1m numeric
@attribute MATS1p numeric
@attribute MATS1s numeric
@attribute MATS1v numeric
@attribute MATS2e numeric
@attribute MATS2i numeric
@attribute MATS2m numeric
@attribute MATS2p numeric
@attribute MATS2s numeric
@attribute MATS2v numeric
@attribute MATS3e numeric
@attribute MATS3i numeric
@attribute MATS3m numeric
@attribute MATS3p numeric
@attribute MATS3s numeric
@attribute MATS3v numeric
@attribute MATS4e numeric
@attribute MATS4i numeric
@attribute MATS4m numeric
@attribute MATS4p numeric
@attribute MATS4s numeric
@attribute MATS4v numeric
@attribute MATS5e numeric
@attribute MATS5i numeric
@attribute MATS5m numeric
@attribute MATS5p numeric
@attribute MATS5s numeric
@attribute MATS5v numeric
@attribute MATS6e numeric
@attribute MATS6i numeric
@attribute MATS6m numeric
@attribute MATS6p numeric
@attribute MATS6s numeric
@attribute MATS6v numeric
@attribute MATS7e numeric
@attribute MATS7i numeric
@attribute MATS7m numeric
@attribute MATS7p numeric
@attribute MATS7s numeric
@attribute MATS7v numeric
@attribute MATS8e numeric
@attribute MATS8i numeric
@attribute MATS8m numeric
@attribute MATS8p numeric
@attribute MATS8s numeric
@attribute MATS8v numeric
@attribute MAXDN numeric
@attribute MAXDP numeric
@attribute MCD numeric
@attribute MDDD numeric
@attribute Me numeric
@attribute Mi numeric
@attribute MLOGP numeric
@attribute MLOGP2 numeric
@attribute Mp numeric
@attribute MPC01 numeric
@attribute MPC02 numeric
@attribute MPC03 numeric
@attribute MPC04 numeric
@attribute MPC05 numeric
@attribute MPC06 numeric
@attribute MPC07 numeric
@attribute MPC08 numeric
@attribute MPC09 numeric
@attribute MPC10 numeric
@attribute MSD numeric
@attribute Mv numeric
@attribute MW numeric
@attribute MWC01 numeric
@attribute MWC02 numeric
@attribute MWC03 numeric
@attribute MWC04 numeric
@attribute MWC05 numeric
@attribute MWC06 numeric
@attribute MWC07 numeric
@attribute MWC08 numeric
@attribute MWC09 numeric
@attribute MWC10 numeric
@attribute N. numeric
@attribute N.066 numeric
@attribute N.067 numeric
@attribute N.068 numeric
@attribute pXC50 numeric

@data
{1 1.682,2 10.037,3 3.884,4 15.085,5 105.742,6 8.778,7 0.767,8 3.876,9 3.969,10 3.685,11 3.557,12 5.067,13 3.514,14 4.342,15 4.468,16 3.966,17 3.915,18 5.557,19 3.863,20 4.56,21 4.722,22 3.994,23 3.994,24 5.781,25 3.931,26 4.58,27 4.762,28 3.908,29 3.95,30 5.751,31 3.886,32 4.601,33 4.819,34 3.857,35 3.946,36 5.646,37 3.871,38 4.499,39 4.692,40 3.898,41 3.935,42 5.602,43 3.856,44 4.493,45 4.659,46 3.897,47 3.953,48 5.719,49 3.858,50 4.594,51 4.821,52 3.718,53 3.862,54 5.71,55 3.742,56 0.057,57 0.666,58 7.483,59 3.94,60 8.578,61 4.237,62 0.115,63 1.074,64 14.667,65 6.738,66 15.682,67 7.342,68 0.247,69 1.318,70 18.974,71 8.268,72 43.026,73 8.97,74 0.275,75 1.334,76 19.434,77 7.928,78 40.885,79 8.824,80 0.302,81 1.29,82 19.997,83 7.981,84 39.294,85 9.967,86 0.252,87 1.223,88 17.439,89 7.486,90 31.067,91 9.636,92 0.242,93 1.216,94 16.215,95 7.987,96 27.859,97 9.813,98 0.261,99 1.31,100 21.198,101 8.944,102 39.575,103 10.966,104 11,105 42,106 0.287,107 0.569,108 0.703,109 0.795,110 0.81,111 0.81,112 3.341,113 0.988,114 -4.92,115 -4.83,116 -4.53,118 48.8,123 1,137 10,138 3,139 2,140 2,141 1,147 1,153 1,162 10,165 4,167 1,169 2,170 9,174 8,178 5,180 5,184 8,188 4,190 6,194 1,196 1,198 2,201 14,203 1,204 1,210 18,212 1,213 3,216 1,220 12,223 4,229 4,232 4,241 1123,242 18.361,243 18.361,244 18.361,245 18.361,246 18.361,247 15.561,248 4.368,249 10.837,250 18.876,251 14.814,252 14.814,253 14.814,254 14.814,255 14.814,256 10.659,257 2.498,258 5.164,259 15.642,260 3.744,261 2.087,262 1.302,263 0.762,264 0.669,265 0.669,266 4.038,268 1,269 1,270 1,271 587,272 2.646,274 74.848,275 265.59,282 1.451,283 27.251,285 1,286 1,287 1,288 1,289 0.6,291 1,292 1,293 0.8,294 58,295 271,296 4.568,297 4.698,298 6.747,299 4.172,300 3.204,301 4.301,302 2.95,303 11.08,304 3.103,305 4.196,306 3.207,307 6.1,308 3.769,309 2.819,310 3.802,312 8.88,313 2.706,314 3.986,315 2.897,316 5.879,317 3.558,318 2.592,319 3.578,321 8.043,322 2.526,323 3.913,324 2.729,325 5.772,326 3.479,327 2.553,328 3.377,330 7.837,331 2.294,332 3.621,333 2.51,334 5.054,335 3.176,336 2.229,337 3.038,339 6.071,340 2.091,341 3.253,342 2.432,343 4.69,344 2.752,345 1.805,346 2.55,348 4.948,349 1.696,350 2.997,351 1.854,352 4.272,353 2.455,354 1.527,355 2.177,357 3.75,358 1.403,359 2.727,360 1.488,361 3.913,362 2.169,363 1.23,364 1.772,366 3.032,367 1.139,368 2.5,369 1.172,370 3.711,371 2,372 1,373 1.5,375 2.575,376 1,377 2.5,378 1,379 3.456,380 2,381 1,382 1.5,384 2.275,385 1,386 2.5,387 1,388 3.414,389 1.984,390 1,391 1.5,392 2.275,393 0.983,394 2.44,395 1,396 3.414,397 1.892,398 0.945,399 1.382,400 2.192,401 0.886,402 2.277,403 0.826,404 3.247,405 1.716,406 0.792,407 1.169,408 2.136,409 0.73,410 1.137,411 0.62,412 2.605,413 0.725,414 -0.188,415 -0.236,416 -0.422,417 -0.166,418 0.965,419 0.301,420 2.512,421 0.504,422 -0.453,423 -0.594,424 -1.096,425 -0.422,426 13.152,427 0.487,428 0.644,429 0.024,430 40.5,431 1.5,432 23.5,433 0.87,434 17,435 0.63,436 17.941,437 0.664,438 27.048,439 0.629,440 29.792,441 1.103,442 8.054,443 0.298,444 5.06,445 0.187,446 0.085,448 0.367,451 1,452 0.545,453 0.959,454 0.724,455 0.931,456 0.569,457 0.805,458 0.683,459 1.023,460 1.025,461 1.087,462 0.581,463 0.931,464 1.117,465 1.081,466 1.027,467 1.01,468 1.067,469 1.008,470 1.059,471 1.04,472 1.039,473 0.992,474 0.909,475 1.052,476 0.717,477 0.694,478 0.72,479 0.677,480 0.564,481 0.839,482 0.446,483 0.776,484 0.686,485 0.856,486 0.416,487 0.929,488 0.461,489 0.996,490 0.879,491 1.094,492 0.567,493 1.166,494 0.905,495 0.972,496 0.883,497 0.948,498 0.88,499 1.093,500 5,501 0.136,502 3.333,503 1.41,504 1.466,505 1.202,506 0.457,507 0.28,508 0.357,509 0.275,510 8549,511 27336,512 2.12,513 37.2,515 13,517 2,518 1,523 1.706,524 2,525 3.291,526 -0.346,528 1,531 72.336,532 1.682,533 3.339,534 4.125,535 4.665,536 4.758,537 4.758,538 2.75,539 4.236,540 4.72,541 3.463,542 1215.67,543 8.228,544 15393.9,546 1,548 1,549 233.329,550 1.352,551 4.694,552 0.167,553 0.008,554 0.079,555 0.034,556 0.038,557 0.032,558 0.012,559 0.008,560 0.012,561 0.013,562 0.402,563 0.17,564 1,565 0.704,566 132.502,567 0.018,568 -0.04,569 0.116,570 0.009,571 -0.084,572 0.039,573 -0.009,574 -0.086,575 -0.1,576 -0.115,577 0.026,578 -0.044,579 -0.151,580 -0.103,581 -0.141,582 -0.081,583 -0.09,584 -0.096,585 -0.175,586 -0.093,587 -0.202,588 -0.121,589 -0.112,590 -0.148,591 -0.066,592 0.122,593 0.04,594 0.143,595 -0.04,596 0.12,597 0.137,598 0.077,599 0.099,600 0.015,601 0.074,602 0.039,603 0.218,604 -0.104,605 -0.058,606 -0.179,607 0.091,608 -0.209,609 -0.055,610 -0.064,611 -0.005,612 -0.034,613 -0.053,614 -0.071,615 2.25,616 5.338,617 0.852,618 25.295,619 1.009,620 1.113,621 3.69,622 13.619,623 0.73,624 3.434,625 3.761,626 4.043,627 4.304,628 4.575,629 4.718,630 4.875,631 4.99,632 5.165,633 5.231,634 6.08,635 0.699,636 377.47,637 3.434,638 4.977,639 5.832,640 6.711,641 7.588,642 8.477,643 9.365,644 10.26,645 11.154,646 12.053,647 7,651 5}
{0 CHEMBL101253,1 1.496,2 10.4,3 4.705,4 22.138,5 100.976,6 8.671,7 0.821,8 3.803,9 3.913,10 3.514,11 3.464,12 4.975,13 3.437,14 4.262,15 4.398,16 3.86,17 3.837,18 5.382,19 3.788,20 4.511,21 4.697,22 3.901,23 3.938,24 5.564,25 3.861,26 4.515,27 4.732,28 3.756,29 3.84,30 5.52,31 3.754,32 4.451,33 4.676,34 3.759,35 3.782,36 5.493,37 3.723,38 4.382,39 4.579,40 3.717,41 3.806,42 5.456,43 3.734,44 4.37,45 4.573,46 3.668,47 3.781,48 5.403,49 3.675,50 4.285,51 4.512,52 3.486,53 3.609,54 5.255,55 3.465,56 0.036,57 0.569,58 5.871,59 3.065,60 6.797,61 3.852,62 0.051,63 0.892,64 10.545,65 5.141,66 10.565,67 6.527,68 0.15,69 1.134,70 18.583,71 7.031,72 22.023,73 8.915,74 0.152,75 1.147,76 19.99,77 7.228,78 24.391,79 9.299,80 0.206,81 1.11,82 17.499,83 6.324,84 25.7,85 8.142,86 0.186,87 1.026,88 15.521,89 5.816,90 22.825,91 7.282,92 0.139,93 0.952,94 15.408,95 6.574,96 20.483,97 8.757,98 0.115,99 0.837,100 16.149,101 6.477,102 20.375,103 8.711,104 2,105 38,106 0.259,107 0.558,108 0.709,109 0.819,110 0.836,111 0.845,112 3.267,113 0.893,114 -5.43,115 -5.31,116 -4.96,118 50,120 1,137 10,138 3,139 2,140 2,141 1,142 1,158 1,162 11,165 5,167 1,169 3,170 14,174 7,176 1,178 4,180 10,184 10,188 2,190 8,194 8,198 3,201 13,203 1,204 3,208 1,210 13,212 1,213 3,218 2,220 11,223 3,229 8,232 1,234 1,238 8,241 911,242 17.361,243 17.361,244 17.361,245 17.361,246 17.361,247 14.555,248 18.364,249 10.512,250 17.698,251 13.875,252 13.875,253 13.875,254 13.875,255 13.875,256 9.836,257 28.435,258 5.06,259 14.462,260 3.826,261 2.106,262 1.23,263 0.6,264 0.5,265 0.45,266 3.972,267 1,269 1,270 1,271 572,272 2.345,275 266.179,279 101.355,282 1.856,283 13.492,285 1,286 0.75,287 1,288 1,289 0.6,291 1,292 1,293 0.76,294 52.333,295 260,296 4.596,297 3.258,298 6.707,299 4.135,300 3.153,301 4.543,302 0.68,303 10.902,304 3.096,305 4.03,306 2.961,307 5.8,308 3.622,309 2.659,310 3.625,311 0.4,312 8.069,313 2.567,314 3.92,315 2.823,316 5.423,317 3.508,318 2.531,319 3.467,321 7.166,322 2.46,323 3.64,324 2.533,325 5.255,326 3.188,327 2.251,328 3.075,330 6.536,331 2.109,332 3.404,333 2.184,334 4.905,335 2.943,336 2.007,337 2.76,339 5.669,340 1.851,341 3.274,342 1.907,343 4.658,344 2.783,345 1.831,346 2.591,348 4.855,349 1.673,350 2.887,351 1.516,352 3.792,353 2.382,354 1.44,355 2.053,357 3.102,358 1.355,359 2.777,360 1.288,361 3.598,362 2.267,363 1.281,364 1.913,366 2.852,367 1.26,368 2.5,369 1.076,370 3.562,371 2,372 1.013,373 1.5,375 2.575,376 1,377 2.5,378 1,379 3.414,380 1.994,381 1,382 1.5,384 2.275,385 0.99,386 2.465,387 1,388 3.247,389 1.984,390 1,391 1.449,392 2.136,393 0.983,394 1.729,395 0.741,396 3.101,397 1.405,398 0.449,399 0.552,400 1.119,401 0.42,402 1.313,403 0.426,404 2.764,405 0.935,406 0.02,407 0.025,408 0.048,409 0.016,410 1.014,411 -0.044,412 2.445,413 0.595,414 -0.34,415 -0.435,416 -0.814,417 -0.291,418 0.889,419 -0.429,420 2.304,421 0.391,422 -0.583,423 -0.833,424 -1.455,425 -0.561,426 12.314,427 0.493,428 0.465,429 0.019,430 38.25,431 1.53,432 22.5,433 0.9,434 15.75,435 0.63,436 15.877,437 0.635,438 24.286,439 0.607,440 25.535,441 1.021,442 7.668,443 0.307,444 4.625,445 0.185,446 0.058,448 0.284,452 0.647,453 1,454 0.571,455 0.8,456 0.649,457 0.771,458 0.742,459 1.154,460 0.711,461 0.975,462 0.732,463 0.954,464 1.087,465 1.111,466 1.012,467 1.045,468 1.037,469 1.035,470 1.127,471 1.198,472 0.96,473 1.059,474 1.031,475 1.042,476 1.034,477 1.003,478 0.653,479 0.784,480 0.874,481 0.81,482 1.183,483 0.863,484 0.903,485 0.846,486 1.108,487 0.925,488 0.58,489 0.996,490 0.789,491 1.07,492 0.729,493 1.098,494 0.655,495 1.086,496 0.906,497 1.158,498 0.779,499 1.175,500 4,501 0.029,502 2.222,503 1.188,504 1.24,505 0.542,506 0.405,507 0.302,508 0.2,509 0.117,510 7458,511 21561,512 2.179,513 37.5,515 10,517 2,518 1,519 2,523 1.681,524 2.113,525 3.346,526 -0.356,531 59.835,532 1.496,533 3.216,534 4.091,535 4.722,536 4.822,537 4.872,538 2.953,539 4.324,540 4.61,541 3.486,542 1045.76,543 7.983,544 12517.9,546 1,549 212.877,550 1.078,551 4.606,552 0.143,553 0.002,554 0.058,555 0.031,556 0.038,557 0.016,558 0.012,559 0.01,560 0.01,561 0.008,562 0.329,563 0.33,564 1,565 0.372,566 120.213,567 0.065,568 0.037,569 0.023,570 0.023,571 0.004,572 0.028,573 0.025,574 -0.141,575 -0.022,576 -0.113,577 -0.008,578 -0.107,579 -0.096,580 -0.099,581 -0.117,582 -0.119,583 -0.114,584 -0.118,585 -0.129,586 -0.181,587 -0.088,588 -0.115,589 -0.092,590 -0.086,591 -0.048,592 0.071,593 0.077,594 0.126,595 0.049,596 0.126,597 -0.21,598 0.2,599 -0.136,600 0.051,601 -0.184,602 -0.025,603 0.141,604 -0.049,605 0.001,606 -0.109,607 0.062,608 -0.117,609 0.138,610 -0.184,611 0.054,612 -0.132,613 0.083,614 -0.126,615 0.964,616 1.836,617 0.88,618 23.142,619 1.001,620 1.111,621 4.196,622 17.604,623 0.736,624 3.367,625 3.664,626 3.932,627 4.205,628 4.489,629 4.489,630 4.654,631 4.812,632 4.927,633 4.934,634 6.034,635 0.702,636 346.84,637 3.367,638 4.89,639 5.733,640 6.6,641 7.462,642 8.336,643 9.208,644 10.087,645 10.964,646 11.846,647 10,651 5}
{0 CHEMBL103667,1 1.476,2 15.333,3 5.907,4 34.897,5 153.448,6 6.944,7 0.512,8 4.416,9 4.543,10 3.928,11 3.926,12 5.446,13 3.899,14 4.975,15 5.161,16 4.296,17 4.324,18 5.966,19 4.279,20 5.224,21 5.428,22 4.344,23 4.489,24 6.191,25 4.408,26 5.354,27 5.615,28 4.314,29 4.494,30 6.25,31 4.385,32 5.289,33 5.537,34 4.298,35 4.402,36 6.266,37 4.322,38 5.161,39 5.377,40 4.272,41 4.38,42 6.186,43 4.313,44 5.213,45 5.426,46 4.329,47 4.471,48 6.285,49 4.385,50 5.328,51 5.566,52 4.237,53 4.518,54 6.285,55 4.402,56 0.071,57 1.114,58 17.099,59 7.024,60 11.85,61 9.626,62 0.407,63 1.786,64 32.2,65 11.499,66 38.337,67 16.193,68 0.522,69 2.215,70 41.95,71 14.363,72 49.844,73 20.619,74 0.467,75 2.375,76 49.157,77 16.419,78 58.81,79 24.524,80 0.653,81 2.184,82 46.823,83 14.355,84 69.806,85 21.162,86 0.568,87 2.014,88 40.251,89 12.847,90 62.036,91 18.535,92 0.461,93 2.159,94 41.436,95 14.686,96 73.226,97 21.166,98 0.588,99 2.318,100 47.773,101 16.237,102 80.539,103 23.357,104 27,105 61,106 0.226,107 0.537,108 0.702,109 0.788,110 0.812,111 0.816,112 3.693,113 0.941,114 -5.07,115 -4.97,116 -4.65,118 40.8,119 4,122 1,124 6,137 11,138 3,139 3,141 1,148 1,151 1,158 1,162 15,165 7,167 3,168 1,169 3,170 18,173 2,174 11,176 1,178 3,180 14,183 1,184 11,186 1,188 8,190 6,193 1,194 8,196 2,198 9,201 6,203 1,204 11,208 6,210 11,212 1,213 13,216 1,218 7,220 11,223 9,225 1,227 1,229 12,231 1,232 8,236 1,238 23,241 3163,242 26.126,243 26.126,244 26.126,245 26.126,246 26.126,247 23.423,248 36.989,249 15.44,250 26.724,251 21.281,252 21.281,253 21.281,254 21.281,255 21.281,256 17.125,257 47.755,258 7.396,259 22.217,260 4.772,261 2.742,262 1.666,263 1.109,264 0.948,265 0.922,266 4.396,270 1,271 1298,272 4.359,274 114.727,275 481.223,279 186.324,282 2.479,283 29.015,286 0.75,287 0.83,288 0.83,289 0.9,290 0.5,291 0.83,292 1,293 0.81,294 83.5,295 598,296 4.594,297 3.613,298 7.139,299 4.35,300 3.366,301 4.54,302 1.656,303 11.836,304 3.316,305 4.578,306 3.536,307 6.702,308 4.127,309 3.145,310 4.211,311 0.86,312 10.879,313 3.09,314 4.199,315 3.227,316 6.493,317 3.921,318 2.963,319 3.597,320 0.86,321 10.131,322 2.833,323 3.865,324 3.067,325 5.74,326 3.496,327 2.54,328 3.226,329 0.8,330 7.766,331 2.449,332 3.751,333 2.893,334 5.388,335 3.436,336 2.505,337 3.142,338 0.247,339 6.968,340 2.325,341 3.541,342 2.607,343 5.339,344 3.358,345 2.387,346 2.819,348 6.89,349 2.29,350 3.493,351 2.558,352 5.051,353 3.117,354 2.149,355 2.652,357 6.04,358 2.068,359 3.333,360 2.177,361 4.897,362 2.913,363 1.937,364 2.516,366 5.529,367 1.887,368 3.228,369 2.106,370 4.668,371 2.794,372 1.8,373 2.453,375 4.897,376 1.783,377 2.784,378 2.025,379 4.433,380 2.444,381 1.557,382 1.922,384 3.995,385 1.373,386 2.669,387 1.571,388 3.952,389 2.293,390 1.327,391 1.71,392 3.269,393 1.286,394 2.6,395 1.484,396 3.81,397 2.267,398 1.289,399 1.609,400 2.868,401 1.251,402 2.5,403 1.287,404 3.647,405 2.093,406 1.173,407 1.5,408 2.824,409 1.07,410 2.471,411 1.256,412 3.596,413 2,414 1,415 1.461,416 2.727,417 1,418 2.387,419 1.078,420 3.414,421 1.952,422 1,423 1.337,424 2.275,425 0.946,426 18.5,427 0.474,428 1.069,429 0.027,430 48.25,431 1.237,432 23,433 0.59,434 25.25,435 0.647,436 39.35,437 1.009,438 42.7,439 0.562,440 40.967,441 1.05,442 9.39,443 0.241,444 9.385,445 0.241,446 0.126,447 0.027,448 0.286,452 0.823,453 1.355,454 0.848,455 1.168,456 0.701,457 1.032,458 1.066,459 1.074,460 0.877,461 0.93,462 0.65,463 0.888,464 1.194,465 1.173,466 1.133,467 1.094,468 0.997,469 1.101,470 0.848,471 1.07,472 0.894,473 0.991,474 0.789,475 0.946,476 1.337,477 0.979,478 0.964,479 0.871,480 1.263,481 0.863,482 1.433,483 1.037,484 1.075,485 0.924,486 1.478,487 0.939,488 0.944,489 1.197,490 1.016,491 1.117,492 1.482,493 1.078,494 1.284,495 0.945,496 1.167,497 0.976,498 2.046,499 1.041,500 8.5,501 0.325,502 4.444,503 2.438,504 2.225,505 1.507,506 1.122,507 0.646,508 0.637,509 0.365,510 26024,511 58050,512 2.088,513 48.7,514 12,515 23,518 2,523 1.794,524 1.958,525 3.818,526 0.111,531 112.148,532 1.476,533 3.506,534 4.582,535 5.139,536 5.3,537 5.326,538 3.329,539 4.785,540 5.253,541 4.051,542 3002.02,543 9.269,544 52076,549 474.842,550 1.496,551 5.213,552 0.198,553 0.007,554 0.073,555 0.04,556 0.038,557 0.026,558 0.02,559 0.011,560 0.012,561 0.007,562 0.431,563 0.17,564 0.75,565 0.651,566 220.011,567 0.029,568 -0.126,569 0.071,570 -0.067,571 -0.056,572 -0.005,573 0.06,574 0.049,575 0.102,576 0.09,577 0.119,578 0.094,579 -0.074,580 -0.076,581 -0.149,582 -0.098,583 -0.071,584 -0.131,585 0.045,586 -0.067,587 0.091,588 -0.024,589 0.071,590 0.032,591 -0.034,592 0.03,593 0.066,594 0.065,595 0.065,596 0.078,597 -0.118,598 0.032,599 -0.06,600 0.044,601 -0.046,602 0.01,603 0.049,604 -0.131,605 -0.043,606 -0.107,607 0.091,608 -0.089,609 -0.195,610 0.079,611 -0.175,612 0.005,613 -0.305,614 -0.068,615 2.005,616 6.244,617 0.692,618 51.546,619 0.995,620 1.128,621 3.837,622 14.725,623 0.652,624 3.784,625 4.127,626 4.369,627 4.635,628 4.89,629 4.977,630 5.075,631 5.165,632 5.313,633 5.366,634 8.816,635 0.614,636 527.73,637 3.784,638 5.342,639 6.188,640 7.074,641 7.942,642 8.832,643 9.711,644 10.604,645 11.488,646 12.383,647 6.6,650 1,651 5}
{0 CHEMBL105442,1 1.983,2 9.88,3 4.908,4 24.087,5 99.228,6 12.274,7 0.444,8 3.792,9 3.884,10 3.775,11 3.435,12 5.022,13 3.394,14 4.273,15 4.4,16 4.197,17 3.786,18 5.534,19 3.708,20 4.519,21 4.69,22 4.354,23 3.863,24 6.008,25 3.773,26 4.473,27 4.655,28 4.497,29 3.765,30 5.852,31 3.678,32 4.37,33 4.525,34 4.097,35 3.624,36 5.907,37 3.633,38 4.392,39 4.524,40 4.225,41 3.733,42 6.046,43 3.707,44 4.409,45 4.554,46 4.266,47 3.714,48 5.974,49 3.646,50 4.31,51 4.504,52 4.362,53 3.646,54 5.56,55 3.482,56 0.19,57 0.668,58 0.871,59 3.405,60 18.075,61 3.508,62 0.379,63 1.031,64 4.693,65 6.413,66 38.569,67 6.332,68 0.857,69 1.404,70 33.685,71 9.985,72 101.366,73 8.732,74 0.789,75 1.191,76 46.152,77 9.47,78 78.619,79 7.529,80 0.793,81 1.123,82 12.827,83 6.22,84 106.151,85 5.258,86 0.863,87 1.152,88 19.438,89 7.893,90 106.636,91 6.804,92 0.91,93 1.123,94 11.633,95 7.74,96 109.321,97 6.234,98 0.65,99 1.068,100 22.075,101 9.053,102 79.569,103 7.243,104 26,105 38,106 0.355,107 0.704,108 0.829,109 0.891,110 0.891,111 0.891,112 3.267,113 1.004,114 -5.59,115 -5.46,116 -5.09,118 43.6,120 2,121 1,124 1,137 5,138 1,139 6,150 1,160 1,162 6,165 2,167 1,169 3,170 5,173 1,174 4,178 6,180 3,184 2,186 1,187 1,188 4,190 3,194 2,196 1,198 1,201 5,204 3,208 1,210 7,213 4,218 4,220 7,223 3,227 2,229 3,232 1,236 1,238 2,241 1031,242 16.499,243 16.499,244 16.499,245 16.499,246 16.499,247 14.722,248 16.843,249 9.551,250 17.054,251 13.256,252 13.256,253 13.256,254 13.256,255 13.256,256 10.619,257 19.271,258 4.509,259 14.337,260 3.302,261 1.356,262 0.657,263 0.308,264 0.308,265 0.308,266 3.932,267 1,269 1,270 1,271 524,272 3.317,273 51.118,275 170.887,282 1.485,283 42.023,286 0.75,287 0.83,288 1,289 0.8,290 0.5,291 1,292 1,293 0.84,294 55.733,295 247,296 4.52,297 4.041,298 6.732,299 4.133,300 3.167,301 4.211,302 2.095,303 10.87,304 3.063,305 4.208,306 3.49,307 6.052,308 3.738,309 2.821,310 3.862,311 0.776,312 8.685,313 2.636,314 3.839,315 3.218,316 5.862,317 3.652,318 2.662,319 3.193,320 0.4,321 7.781,322 2.547,323 3.654,324 3.189,325 5.492,326 3.461,327 2.496,328 2.787,330 7.387,331 2.371,332 3.475,333 2.638,334 5.038,335 2.985,336 2.138,337 2.658,339 5.926,340 1.771,341 3.169,342 2.623,343 4.887,344 2.738,345 1.829,346 2.366,348 5.201,349 1.487,350 2.872,351 2.437,352 4.209,353 2.474,354 1.519,355 1.964,357 3.779,358 1.423,359 2.82,360 1.985,361 4.146,362 2.33,363 1.414,364 1.946,366 3.641,367 1.226,368 2.241,369 1.85,370 3.475,371 2.022,372 1.065,373 1.187,375 2.393,376 0.999,377 1.75,378 1.153,379 3.246,380 1.412,381 0.548,382 0.629,384 1.357,385 0.415,386 1.375,387 1.013,388 2.793,389 1.135,390 0.174,391 0.193,392 0.394,393 0.158,394 1.225,395 0.664,396 2.687,397 0.941,398 0.072,399 0.082,400 0.165,401 0.047,402 1.171,403 0.378,404 2.417,405 0.721,406 -0.199,407 -0.25,408 -0.481,409 -0.117,410 0.797,411 0.195,412 2.359,413 0.255,414 -0.514,415 -0.621,416 -1.242,417 -0.207,418 0.427,419 -0.151,420 2.114,421 0.223,422 -0.742,423 -0.817,424 -1.619,425 -0.623,426 12.895,427 0.516,428 0.72,429 0.029,430 29.75,431 1.19,432 14,433 0.56,434 15.75,435 0.63,436 22.959,437 0.918,438 26.705,439 0.685,440 21.203,441 0.848,442 5.645,443 0.226,444 6.307,445 0.252,446 0.253,448 0.349,451 2,452 0.58,453 0.846,454 0.467,455 0.56,456 0.516,457 0.716,458 0.758,459 1.038,460 0.575,461 0.692,462 0.609,463 0.911,464 0.816,465 0.989,466 0.951,467 0.953,468 0.752,469 0.933,470 1.243,471 0.96,472 0.713,473 0.725,474 1.133,475 0.79,476 1.27,477 0.935,478 0.351,479 0.491,480 1.313,481 0.702,482 1.042,483 1.118,484 0.598,485 0.728,486 1.132,487 0.838,488 1.249,489 1.123,490 0.595,491 0.71,492 1.459,493 0.976,494 1.157,495 1.085,496 1.055,497 1.051,498 1.182,499 1.055,500 5.5,501 0.09,502 3.611,503 1.91,504 1.623,505 0.976,506 0.691,507 0.441,508 0.261,509 0.148,510 6836,511 26239,512 2.015,513 35.9,514 4,515 7,518 2,520 1,523 1.685,524 1.852,525 3.247,526 0.352,530 1,531 77.341,532 1.983,533 3.93,534 4.629,535 4.978,536 4.978,537 4.978,538 2.713,539 4.484,540 4.61,541 3.422,542 1026.7,543 8.004,544 12430.5,549 206.131,550 1.516,551 4.555,552 0.204,553 0.008,554 0.103,555 0.05,556 0.048,557 0.029,558 0.019,559 0.014,560 0.011,561 0.009,562 0.495,563 0.33,564 0.75,565 0.65,566 119.967,567 0.003,568 0.042,569 -0.002,570 0.03,571 -0.014,572 0.043,573 -0.034,574 -0.177,575 0.009,576 -0.003,577 0.014,578 -0.066,579 0.148,580 -0.026,581 -0.043,582 -0.031,583 0.167,584 0.005,585 -0.151,586 0.005,587 0.059,588 0.106,589 -0.11,590 0.12,591 -0.1,592 0.097,593 0.009,594 0.06,595 -0.058,596 0.08,597 0.169,598 -0.015,599 -0.016,600 -0.013,601 0.153,602 0.01,603 -0.017,604 -0.032,605 -0.005,606 0.008,607 -0.085,608 -0.127,609 -0.131,610 -0.081,611 0.035,612 0.011,613 -0.157,614 -0.033,615 2.829,616 6.277,617 0.6,618 22.128,619 1.034,620 1.13,621 4.357,622 18.986,623 0.754,624 3.332,625 3.664,626 3.85,627 4.025,628 4.234,629 4.29,630 4.277,631 4.304,632 4.369,633 4.29,634 5.899,635 0.708,636 478.68,637 3.332,638 4.875,639 5.72,640 6.592,641 7.454,642 8.329,643 9.198,644 10.075,645 10.947,646 11.826,647 5.1,651 5}
{0 CHEMBL1173655,1 1.772,2 12.294,3 3.917,4 15.346,5 129.707,6 8.237,7 0.459,8 4.189,9 4.302,10 3.832,11 3.687,12 5.339,13 3.692,14 4.726,15 4.893,16 4.197,17 4.056,18 5.876,19 4.048,20 4.942,21 5.121,22 4.274,23 4.171,24 6.139,25 4.13,26 4.967,27 5.208,28 4.165,29 4.132,30 6.015,31 4.071,32 4.859,33 5.044,34 4.213,35 4.152,36 6.044,37 4.113,38 4.952,39 5.142,40 4.295,41 4.21,42 6.103,43 4.177,44 5.02,45 5.215,46 4.308,47 4.226,48 6.246,49 4.183,50 4.972,51 5.17,52 4.257,53 4.155,54 6.172,55 4.11,56 0.126,57 0.934,58 10.471,59 5.109,60 11.754,61 6.243,62 0.505,63 1.435,64 22.484,65 8.349,66 37.14,67 10.323,68 0.846,69 1.652,70 32.099,71 10.804,72 74.613,73 13.267,74 0.744,75 1.618,76 35.818,77 11.177,78 69.081,79 15.245,80 0.694,81 1.557,82 28.054,83 10.023,84 61.354,85 13.071,86 0.675,87 1.688,88 29.735,89 10.483,90 57.05,91 13.739,92 0.913,93 1.738,94 33.344,95 10.965,96 99.041,97 14.109,98 0.789,99 1.647,100 34.542,101 11.01,102 79.644,103 14.064,104 32,105 51,106 0.287,107 0.661,108 0.834,109 0.882,110 0.882,111 0.882,112 3.561,113 0.903,114 -4.06,115 -4.01,116 -3.8,118 40.7,120 1,123 2,124 3,126 1,132 2,137 5,138 1,139 5,141 1,142 1,143 1,150 1,162 3,164 1,165 8,167 2,169 5,170 3,173 1,174 5,176 1,178 5,180 3,183 1,184 5,186 1,188 2,190 5,193 2,194 5,196 3,197 1,198 1,201 7,203 1,204 6,206 2,210 7,212 3,213 6,216 1,218 3,220 3,222 2,223 9,227 3,229 2,231 1,232 4,234 1,236 1,238 2,241 2346,242 22.739,243 22.739,244 22.739,245 22.739,246 22.739,247 20.314,248 32.664,249 13.563,250 23.485,251 18.303,252 18.303,253 18.303,254 18.303,255 18.303,256 14.602,257 46.591,258 6.532,259 19.582,260 4.11,261 1.8,262 0.731,263 0.432,264 0.432,265 0.432,266 4.254,267 1,270 1,271 888,272 4.062,274 86.25,275 299.294,279 161.313,282 1.841,283 42.381,286 1,287 0.83,288 1,289 0.8,290 0.5,291 1,292 1,293 0.88,294 75.333,295 418,296 4.58,297 3.499,298 6.591,299 4.113,300 3.146,301 4.514,302 1.058,303 10.562,304 3.041,305 4.22,306 3.312,307 6.107,308 3.774,309 2.846,310 3.872,311 0.916,312 8.973,313 2.637,314 4.044,315 3.241,316 5.948,317 3.655,318 2.723,319 3.528,320 0.86,321 8.314,322 2.529,323 3.721,324 3.017,325 5.369,326 3.436,327 2.483,328 3.007,329 0.86,330 6.999,331 2.357,332 3.566,333 2.691,334 5.354,335 3.272,336 2.314,337 2.875,338 0.4,339 6.816,340 2.203,341 3.455,342 2.643,343 5.056,344 3.144,345 2.218,346 2.66,347 0.172,348 6.034,349 2.034,350 3.322,351 2.437,352 4.945,353 3.061,354 2.109,355 2.502,357 5.602,358 1.976,359 3.215,360 2.125,361 4.644,362 2.828,363 1.869,364 2.235,366 5.126,367 1.78,368 2.978,369 2.037,370 4.415,371 2.476,372 1.549,373 2.187,375 4.261,376 1.431,377 2.82,378 1.932,379 4.041,380 2.319,381 1.414,382 1.948,384 3.523,385 1.217,386 2.665,387 1.549,388 3.871,389 2.222,390 1.315,391 1.687,392 3.096,393 1.19,394 2.517,395 1.509,396 3.425,397 2.005,398 1.094,399 1.342,400 2.489,401 0.991,402 2.185,403 1.358,404 3.265,405 1.956,406 0.989,407 1.17,408 2.115,409 0.944,410 1.679,411 0.938,412 3.09,413 1.543,414 0.618,415 0.618,416 1.372,417 0.566,418 1.618,419 0.832,420 3,421 1.344,422 0.424,423 0.505,424 1.106,425 0.383,426 16,427 0.471,428 0.873,429 0.026,430 43.5,431 1.279,432 20.5,433 0.603,434 23,435 0.676,436 29.588,437 0.87,438 37.4,439 0.634,440 37.102,441 1.091,442 8.869,443 0.261,444 7.516,445 0.221,446 0.146,448 0.338,451 1,452 0.748,453 1.32,454 0.63,455 1.102,456 0.58,457 0.954,458 1.004,459 0.987,460 0.748,461 0.861,462 0.63,463 0.834,464 1.08,465 1.167,466 0.98,467 1.089,468 0.907,469 1.076,470 0.83,471 0.859,472 0.735,473 0.796,474 0.79,475 0.778,476 0.691,477 0.804,478 0.854,479 0.971,480 0.81,481 0.962,482 0.848,483 1.007,484 0.755,485 0.974,486 0.832,487 0.955,488 1.043,489 0.894,490 0.894,491 0.891,492 1.191,493 0.957,494 1.042,495 1.083,496 1.002,497 1.06,498 1.132,499 1.018,500 7.5,501 0.289,502 3.333,503 1.972,504 1.986,505 1.007,506 0.945,507 0.657,508 0.501,509 0.294,510 16064,511 50340,512 2.059,513 42.4,515 20,517 1,518 2,521 2,523 1.767,524 1.925,525 3.565,526 0.235,531 104.576,532 1.772,533 4.082,534 5.152,535 5.45,536 5.45,537 5.45,538 3.067,539 4.735,540 5.051,541 3.759,542 2108.56,543 8.902,544 32537.3,549 347.076,550 1.419,551 5.016,552 0.203,553 0.008,554 0.065,555 0.039,556 0.041,557 0.019,558 0.017,559 0.012,560 0.01,561 0.007,562 0.423,563 0.33,564 0.88,565 1.454,566 181.75,567 -0.062,568 -0.212,569 0.03,570 -0.1,571 -0.048,572 -0.021,573 -0.086,574 0.035,575 0.041,576 0.09,577 0.033,578 0.088,579 -0.033,580 -0.158,581 -0.064,582 -0.109,583 0.01,584 -0.128,585 0.006,586 0.044,587 0.172,588 0.164,589 -0.004,590 0.224,591 0.108,592 0.127,593 -0.015,594 -0.008,595 0.02,596 -0.006,598 -0.049,599 0.031,600 -0.028,601 -0.021,602 -0.007,603 -0.05,604 0.032,605 -0.035,606 0.042,607 -0.056,608 -0.026,609 -0.036,610 -0.148,611 -0.019,612 -0.086,613 -0.033,614 -0.056,615 2.176,616 5.571,617 0.618,618 41.059,619 1.018,620 1.135,621 2.83,622 8.01,623 0.671,624 3.638,625 3.951,626 4.174,627 4.431,628 4.673,629 4.812,630 4.99,631 5.182,632 5.318,633 5.384,634 7.427,635 0.648,636 485.99,637 3.638,638 5.176,639 6.009,640 6.878,641 7.734,642 8.612,643 9.48,644 10.363,645 11.24,646 12.128,647 8.5,650 1,651 5}
{0 CHEMBL119385,1 2.02,2 10.857,3 5.899,4 34.795,5 108.721,6 11.791,7 0.387,8 3.774,9 3.838,10 3.754,11 3.491,12 5.111,13 3.475,14 4.233,15 4.313,16 4.208,17 3.877,18 5.662,19 3.854,20 4.482,21 4.592,22 4.384,23 4.012,24 5.898,25 3.974,26 4.438,27 4.536,28 4.398,29 3.951,30 6.022,31 3.907,32 4.407,33 4.505,34 4.383,35 3.838,36 6.04,37 3.841,38 4.352,39 4.493,40 4.1,41 3.765,42 5.776,43 3.725,44 4.206,45 4.376,46 3.773,47 3.576,48 5.546,49 3.494,50 3.952,51 4.131,52 3.814,53 3.378,54 5.329,55 3.275,56 0.206,57 0.631,58 0.365,59 2.485,60 21.925,61 2.257,62 0.385,63 1.026,64 1.321,65 4.245,66 37.279,67 3.606,68 0.661,69 1.354,70 13.947,71 7.433,72 83.324,73 5.947,74 0.817,75 1.307,76 16.405,77 7.013,78 110.113,79 5.367,80 0.753,81 1.119,82 12.655,83 6.115,84 80.618,85 4.523,86 0.674,87 1.044,88 9.362,89 5.601,90 70.44,91 4.465,92 0.581,93 0.955,94 14.148,95 5.842,96 62.946,97 5.374,98 0.47,99 0.837,100 15.059,101 5.159,102 56.905,103 4.94,104 26,105 45,106 0.356,107 0.661,108 0.797,109 0.88,110 0.88,111 0.88,112 3.375,113 0.917,114 -6.72,115 -6.54,116 -6.06,118 51.4,132 2,133 1,134 1,137 6,138 1,139 5,150 3,158 1,162 5,164 2,165 6,170 11,173 1,174 7,180 13,183 1,184 4,190 6,193 1,194 18,201 8,204 9,210 8,213 3,220 2,223 2,229 7,232 1,238 3,241 1112,242 18.654,243 18.654,244 18.654,245 18.654,246 18.654,247 16.187,248 19.118,249 10.719,250 19.305,251 15.266,252 15.266,253 15.266,254 15.266,255 15.266,256 11.457,257 21.577,258 5.067,259 16.502,260 3.189,261 1.461,262 0.689,263 0.216,264 0.216,265 0.216,266 4.069,267 2,270 1,271 659,272 2.55,275 301.744,279 114.555,282 1.745,283 45.737,286 0.75,287 0.83,288 0.83,289 0.3,291 0.83,292 1,293 0.65,294 62.167,295 304,296 4.659,297 4.62,298 7.045,299 4.27,300 3.3,301 4.28,302 3.37,303 12.073,304 3.195,305 4.265,306 3.709,307 6.252,308 3.817,309 2.906,310 3.894,311 1.208,312 9.257,313 2.633,314 4.146,315 3.398,316 6.088,317 3.716,318 2.786,319 3.648,320 0.618,321 8.827,322 2.561,323 3.818,324 3.258,325 5.582,326 3.343,327 2.406,328 3.147,330 7.21,331 2.237,332 3.456,333 2.94,334 5.197,335 3.061,336 2.136,337 2.745,339 6.279,340 1.929,341 3.318,342 2.8,343 4.913,344 2.859,345 1.934,346 2.481,348 5.588,349 1.763,350 3.232,351 2.623,352 4.841,353 2.707,354 1.879,355 2.474,357 5.104,358 1.664,359 3.15,360 2.376,361 4.646,362 2.703,363 1.743,364 2.222,366 4.741,367 1.441,368 2.839,369 2.108,370 4.127,371 2.363,372 1.415,373 1.945,375 3.648,376 1.347,377 2.817,378 1.524,379 4.057,380 2.34,381 1.351,382 1.916,384 3.312,385 1.309,386 2.536,387 1.309,388 3.542,389 1.813,390 0.871,391 1.291,392 2.117,393 0.8,394 1.915,395 1.178,396 3.085,397 1.29,398 0.398,399 0.508,400 0.971,401 0.338,402 1.597,403 1.113,404 2.973,405 1.186,406 0.288,407 0.363,408 0.691,409 0.232,410 1.272,411 0.832,412 2.564,413 0.751,414 -0.151,415 -0.204,416 -0.374,417 -0.125,418 1,419 0.445,420 2.407,421 0.473,422 -0.347,423 -0.445,424 -0.757,425 -0.229,426 13.867,427 0.495,428 0.822,429 0.029,430 38,431 1.357,432 20,433 0.714,434 18,435 0.643,436 22.586,437 0.807,438 28.133,439 0.76,440 29.769,441 1.063,442 7.754,443 0.277,444 5.681,445 0.203,446 0.168,448 0.389,451 2,452 0.545,453 0.806,454 0.518,455 0.692,456 0.533,457 0.676,458 0.664,459 0.945,460 0.658,461 0.829,462 0.596,463 0.805,464 1.041,465 1.056,466 1.087,467 1.075,468 0.981,469 0.926,470 0.972,471 0.954,472 1.174,473 1.072,474 0.92,475 1.004,476 0.753,477 0.916,478 1.028,479 1.166,480 0.786,481 1.015,482 0.972,483 0.769,484 1.043,485 0.838,486 0.908,487 1.041,488 0.932,489 0.837,490 1.172,491 1.059,492 0.85,493 1.233,494 0.817,495 0.849,496 0.508,497 0.761,498 0.963,499 0.901,500 6,501 0.182,502 3.556,503 2.563,504 2.524,505 0.826,506 0.764,507 0.443,508 0.222,509 0.269,510 9437,511 40448,512 2.072,513 24.3,515 8,517 1,523 1.711,524 1.909,525 3.35,526 -0.671,531 74.755,532 2.02,533 3.749,534 4.52,535 4.993,536 4.993,537 4.993,538 2.901,539 4.138,540 4.778,541 3.537,542 1337.15,543 8.312,544 17189.3,549 192.75,550 1.497,551 4.723,552 0.194,553 0.008,554 0.079,555 0.052,556 0.055,557 0.018,558 0.021,559 0.017,560 0.01,561 0.013,562 0.468,563 0.33,564 0.88,565 0.616,566 139.301,567 -0.003,568 -0.001,569 0.004,570 0.02,571 -0.043,572 0.007,573 -0.014,574 -0.083,575 0.004,576 -0.022,577 0.011,578 -0.056,579 -0.159,580 -0.085,581 -0.098,582 -0.05,583 -0.119,584 0.012,585 -0.02,586 -0.013,587 -0.099,588 -0.058,589 0.022,590 -0.098,591 0.132,592 -0.1,593 -0.011,594 -0.258,595 0.068,596 -0.157,597 -0.141,598 0.038,599 -0.11,600 0.038,601 -0.133,602 -0.074,603 -0.089,604 0.025,605 -0.137,606 -0.04,607 -0.065,608 -0.072,609 0.13,610 0.191,611 0.483,612 0.398,614 0.336,615 2.353,616 5.899,617 0.786,618 25.98,619 1.049,620 1.115,621 5.495,622 30.19,623 0.798,624 3.466,625 3.829,626 4.127,627 4.431,628 4.7,629 4.727,630 4.844,631 5.037,632 5.17,633 5.215,634 6.335,635 0.784,636 436.28,637 3.466,638 5.03,639 5.9,640 6.801,641 7.689,642 8.594,643 9.489,644 10.395,645 11.295,646 12.202,647 8.1,650 1,651 5}
{0 CHEMBL1230020,1 2.082,2 10,3 3.768,4 14.197,5 98.861,6 10.094,7 0.552,8 3.85,9 3.929,10 3.793,11 3.455,12 5.092,13 3.441,14 4.377,15 4.493,16 4.109,17 3.831,18 5.867,19 3.816,20 4.639,21 4.795,22 4.219,23 3.907,24 6.08,25 3.898,26 4.633,27 4.775,28 4.268,29 3.839,30 6.398,31 3.861,32 4.566,33 4.696,34 4.176,35 3.776,36 6.311,37 3.796,38 4.493,39 4.637,40 4.131,41 3.713,42 6.047,43 3.736,44 4.464,45 4.621,46 4.02,47 3.632,48 6.303,49 3.635,50 4.354,51 4.54,52 3.938,53 3.524,54 5.865,55 3.479,56 0.225,57 0.758,58 5.948,59 3.96,60 39.021,61 3.501,62 0.571,63 1.185,64 13.505,65 7.01,66 90.283,67 6.806,68 0.941,69 1.471,70 23.616,71 9.001,72 143.309,73 8.416,74 1.292,75 1.6,76 24.487,77 9.13,78 227.35,79 7.35,80 1.187,81 1.303,82 17.657,83 7.732,84 198.265,85 6.459,86 0.968,87 1.433,88 19.899,89 7.853,90 154.093,91 6.642,92 1.18,93 1.35,94 14.778,95 7.11,96 213.546,97 6.515,98 0.907,99 1.03,100 20.115,101 7.122,102 129.051,103 6.493,104 54,105 43,106 0.362,107 0.736,108 0.857,109 0.885,110 0.885,111 0.885,112 3.341,113 1.026,114 -3.76,115 -3.72,116 -3.54,118 41.5,119 1,120 1,124 1,137 3,138 3,139 4,140 1,146 1,149 1,153 1,162 4,164 1,165 3,167 3,169 3,170 4,174 6,178 4,180 3,184 6,186 1,188 2,190 3,193 1,194 6,196 1,198 2,201 3,204 1,208 2,210 6,212 2,213 3,217 1,218 2,220 3,223 4,225 1,229 2,232 3,234 2,236 1,238 3,241 1117,242 17.508,243 17.508,244 17.508,245 17.508,246 17.508,247 15.102,248 9.931,249 9.968,250 17.991,251 14.211,252 14.211,253 14.211,254 14.211,255 14.211,256 10.454,257 6.141,258 4.577,259 15.1,260 3.276,261 1.122,262 0.427,263 0.262,264 0.262,265 0.262,266 4.011,267 1,269 1,270 1,271 566,272 4,274 58.129,275 162.885,278 109.256,282 1.556,283 63.062,286 1,287 1,288 1,289 0.4,291 1,292 1,293 0.77,294 61.833,295 270,296 4.724,297 4.459,298 6.959,299 4.283,300 3.307,301 4.565,303 11.67,304 3.247,305 4.647,306 3.72,307 6.747,308 4.139,309 3.194,310 4.496,312 11.053,313 2.988,314 4.416,315 3.21,316 6.525,317 3.929,318 2.974,319 4.166,321 10.176,322 2.821,323 3.788,324 3,325 5.766,326 3.358,327 2.398,328 3.218,330 7.61,331 2.292,332 3.556,333 2.71,334 5.372,335 3.077,336 2.175,337 2.938,339 6.414,340 1.937,341 3.401,342 2.628,343 4.959,344 2.92,345 2.002,346 2.727,348 5.783,349 1.752,350 3.073,351 1.949,352 4.652,353 2.592,354 1.639,355 2.306,357 4.574,358 1.549,359 2.782,360 1.727,361 4.324,362 2.273,363 1.306,364 1.885,366 3.618,367 1.248,368 2.533,369 1.261,370 3.878,371 2.117,372 1.127,373 1.482,375 2.556,376 1.113,377 2.182,378 1.238,379 3.602,380 1.977,381 1.015,382 1.16,384 1.918,385 0.956,386 2.03,387 0.882,388 3.229,389 1.471,390 0.545,391 0.778,392 1.353,393 0.489,394 1.598,395 0.757,396 3.02,397 1.254,398 0.338,399 0.405,400 0.807,401 0.304,402 1.17,403 0.74,404 2.749,405 0.744,406 -0.179,407 -0.223,408 -0.442,409 -0.148,410 1,411 0.407,412 2.568,413 0.448,414 -0.397,415 -0.52,416 -0.789,417 -0.283,418 0.999,419 0.19,420 2.375,421 0.429,422 -0.494,423 -0.527,424 -0.931,425 -0.439,426 12.819,427 0.475,428 0.941,429 0.035,430 36.25,431 1.343,432 19,433 0.704,434 17.25,435 0.639,436 21.809,437 0.808,438 29.781,439 0.726,440 30.411,441 1.126,442 6.951,443 0.257,444 5.78,445 0.214,446 0.217,447 0.065,448 0.351,451 2,452 0.545,453 1.045,454 0.652,455 1.107,456 0.589,457 0.838,458 0.601,459 1.008,460 0.811,461 1.044,462 0.576,463 0.906,464 1.049,465 1.064,466 0.963,467 0.993,468 1.044,469 0.902,470 1.154,471 1.098,472 0.967,473 1.031,474 1.161,475 0.836,476 1.193,477 1,478 0.86,479 0.827,480 1.299,481 0.876,482 1.309,483 1.321,484 0.95,485 1.085,486 1.408,487 0.992,488 1.103,489 1.251,490 0.806,491 0.882,492 1.06,493 1.024,494 1.14,495 1.143,496 1.028,497 1.063,498 1.106,499 1.037,500 7,501 0.132,502 4,503 2.882,504 2.138,505 1.08,506 0.94,507 0.494,508 0.351,509 0.195,510 7608,511 31568,512 1.963,513 34.1,514 3,515 5,516 1,517 1,518 2,520 2,523 1.706,524 1.77,525 3.28,526 0.377,528 1,531 85.36,532 2.082,533 4.235,534 4.93,535 5.095,536 5.095,537 5.095,538 2.718,539 4.533,540 4.726,541 3.426,542 1202.48,543 8.23,544 14929.7,546 1,548 1,549 219.66,550 1.74,551 4.637,552 0.241,553 0.01,554 0.093,555 0.064,556 0.048,557 0.026,558 0.025,559 0.015,560 0.013,561 0.01,562 0.545,563 0.33,564 1,565 1.385,566 131.774,568 -0.071,569 0.107,570 -0.061,571 -0.074,572 0.039,573 0.086,574 -0.084,575 -0.019,576 -0.062,577 0.106,578 0.007,579 -0.131,580 -0.118,581 -0.028,582 -0.02,583 -0.118,584 0.06,585 0.016,586 0.042,587 -0.024,588 0.018,589 0.078,590 0.084,591 -0.032,592 0.004,593 -0.026,594 0.083,595 -0.038,596 0.007,597 -0.117,598 -0.097,599 -0.024,600 -0.121,601 -0.212,602 -0.068,603 0.149,604 0.049,605 -0.013,606 0.019,607 0.193,608 -0.127,609 -0.05,610 -0.017,611 0.079,612 -0.026,613 -0.064,614 -0.02,615 4.731,616 6.786,617 0.556,618 22.217,619 1.046,620 1.136,621 2.526,622 6.381,623 0.71,624 3.401,625 3.784,626 4.043,627 4.331,628 4.511,629 4.585,630 4.7,631 4.787,632 4.754,633 4.762,634 5.899,635 0.699,636 413.86,637 3.401,638 4.977,639 5.838,640 6.751,641 7.633,642 8.548,643 9.44,644 10.356,645 11.253,646 12.168,647 7.3,651 5}
{0 CHEMBL1236107,1 1.623,2 10.731,3 3.403,4 11.578,5 103.098,6 9.217,7 0.867,8 3.829,9 3.94,10 3.642,11 3.455,12 5.026,13 3.437,14 4.294,15 4.44,16 4.046,17 3.831,18 5.445,19 3.809,20 4.428,21 4.597,22 4.039,23 3.91,24 5.552,25 3.836,26 4.391,27 4.585,28 3.875,29 3.811,30 5.447,31 3.719,32 4.291,33 4.491,34 3.827,35 3.7,36 5.335,37 3.618,38 4.228,39 4.422,40 3.757,41 3.628,42 5.318,43 3.567,44 4.165,45 4.358,46 3.696,47 3.532,48 5.303,49 3.485,50 4.023,51 4.213,52 3.466,53 3.445,54 5.121,55 3.387,56 0.097,57 0.691,58 5.169,59 3.012,60 6.507,61 3.276,62 0.186,63 1.1,64 11.121,65 4.777,66 10.517,67 5.044,68 0.242,69 1.226,70 16.502,71 6.462,72 20.241,73 6.669,74 0.225,75 1.132,76 15.46,77 6.453,78 19.77,79 7.127,80 0.239,81 1.046,82 16.434,83 5.982,84 16.004,85 6.385,86 0.197,87 0.988,88 14.325,89 5.214,90 17.168,91 5.218,92 0.321,93 0.968,94 14.677,95 4.658,96 19.123,97 4.673,98 0.143,99 0.762,100 8.904,101 4.082,102 13.225,103 4.966,104 2,105 43,106 0.28,107 0.629,108 0.794,109 0.889,110 0.889,111 0.889,112 3.305,113 0.882,114 -4.86,115 -4.77,116 -4.48,118 46.2,123 1,137 7,138 2,139 1,140 2,141 2,146 1,153 1,154 1,158 3,162 5,164 2,165 11,170 7,173 2,174 10,180 7,183 2,184 7,190 4,193 2,194 13,201 4,204 6,210 2,212 6,213 6,220 6,222 2,223 2,229 5,232 5,238 3,241 988,242 18.049,243 18.049,244 18.049,245 18.049,246 18.049,247 15.07,248 6.656,249 10.553,250 18.546,251 14.857,252 14.857,253 14.857,254 14.857,255 14.857,256 10.401,257 4.873,258 5.066,259 15.729,260 3.662,261 1.631,262 0.677,263 0.122,264 0.122,265 0.122,266 4.022,268 1,269 1,270 1,271 634,272 2.345,274 115.387,275 187.508,278 94.739,279 107.005,282 1.675,283 13.861,285 1,286 1,287 1,288 1,289 0.4,291 1,292 1,293 0.77,294 55.5,295 279,296 4.578,297 4.573,298 6.574,299 4.062,300 3.134,301 4.523,302 2.95,303 10.474,304 2.934,305 4.403,306 3.285,307 6.185,308 3.897,309 2.922,310 4.334,312 9.236,313 2.85,314 4.205,315 2.928,316 6.129,317 3.768,318 2.813,319 3.852,321 9.027,322 2.664,323 3.695,324 2.788,325 5.386,326 3.234,327 2.328,328 3.121,330 6.992,331 2.1,332 3.56,333 2.518,334 5.053,335 3.113,336 2.17,337 2.971,339 6.072,340 2.027,341 3.271,342 2.209,343 4.952,344 2.752,345 1.824,346 2.61,348 5.519,349 1.682,350 3.118,351 1.618,352 4.413,353 2.603,354 1.618,355 2.427,357 4.36,358 1.592,359 2.894,360 1.471,361 4.245,362 2.372,363 1.406,364 2.084,366 3.804,367 1.355,368 2.821,369 1.414,370 4.017,371 2.329,372 1.365,373 1.962,375 3.15,376 1.312,377 2.613,378 1.31,379 3.616,380 2.107,381 1.15,382 1.664,384 2.982,385 1.093,386 2.223,387 0.964,388 3.286,389 1.707,390 0.761,391 1.098,392 1.789,393 0.714,394 2.183,395 0.833,396 3.261,397 1.646,398 0.694,399 1.029,400 1.65,401 0.659,402 2.088,403 0.684,404 3.17,405 1.561,406 0.612,407 0.897,408 1.499,409 0.577,410 1.317,411 0.467,412 2.88,413 0.859,414 -0.029,415 -0.038,416 -0.079,417 -0.025,418 0.929,419 0.121,420 2.543,421 0.474,422 -0.485,423 -0.649,424 -1.219,425 -0.456,426 12.633,427 0.486,428 0.585,429 0.022,430 40,431 1.538,432 22.5,433 0.865,434 17.5,435 0.673,436 16.575,437 0.637,438 25.167,439 0.645,440 26.762,441 1.029,442 7.858,443 0.302,444 4.901,445 0.189,446 0.04,448 0.34,452 0.615,453 1.039,454 0.629,455 0.838,456 0.702,457 0.783,458 0.988,459 1.141,460 0.745,461 0.881,462 0.818,463 0.768,464 1.042,465 1.082,466 1.18,467 1.142,468 1.017,469 1.009,470 1,471 1.017,472 1.064,473 1.032,474 1.052,475 1.045,476 1.069,477 1.017,478 1.152,479 1.053,480 0.899,481 0.919,482 1.42,483 1.177,484 1.184,485 1.028,486 1.244,487 0.92,488 1.116,489 0.875,490 1.305,491 1.113,492 1.117,493 0.948,494 0.776,495 0.967,496 0.732,497 0.886,498 0.759,499 1.003,500 5,501 0.094,502 2.889,503 1.389,504 1.254,505 0.688,506 0.414,507 0.367,508 0.172,509 0.136,510 8952,511 24672,512 2.241,513 33.3,515 10,516 1,517 2,523 1.689,524 2.167,525 3.413,526 -0.684,528 1,531 63.315,532 1.623,533 3.654,534 4.608,535 5.163,536 5.163,537 5.163,538 2.902,539 4.393,540 4.673,541 3.537,542 1149.49,543 8.088,544 14195.1,545 1,546 1,548 1,549 206.131,550 1.142,551 4.66,552 0.167,553 0.006,554 0.067,555 0.035,556 0.037,557 0.021,558 0.013,559 0.013,560 0.007,561 0.007,562 0.373,563 0.33,564 0.88,565 0.362,566 127.048,567 0.244,568 0.012,569 0.08,570 -0.004,571 0.019,572 -0.014,573 0.005,574 -0.084,575 0.117,576 0.023,577 0.016,578 0.058,579 -0.074,580 -0.048,581 -0.074,582 -0.076,583 -0.036,584 -0.083,585 -0.051,586 -0.037,587 -0.027,588 -0.01,589 -0.09,590 -0.067,591 -0.032,592 -0.003,593 0.028,594 0.046,595 0.026,596 0.072,597 -0.303,598 -0.134,599 -0.084,600 0.003,601 -0.159,602 0.012,603 0.134,604 0.223,605 -0.18,606 -0.089,607 0.012,608 -0.055,609 0.092,610 -0.033,611 0.022,612 -0.036,613 0.198,614 -0.055,615 0.956,616 1.682,617 0.923,618 22.385,619 1.011,620 1.119,621 3.63,622 13.178,623 0.743,624 3.434,625 3.784,626 4.094,627 4.394,628 4.615,629 4.71,630 4.89,631 5.081,632 5.198,633 5.252,634 6.261,635 0.716,636 359.45,637 3.434,638 4.99,639 5.861,640 6.751,641 7.635,642 8.528,643 9.416,644 10.311,645 11.202,646 12.097,647 17.9,651 5}
{0 CHEMBL1240703,1 1.529,2 10.955,3 4.94,4 24.402,5 162.643,6 7.928,7 0.577,8 4.452,9 4.549,10 4.09,11 4.028,12 5.543,13 4.027,14 5.039,15 5.174,16 4.574,17 4.499,18 6.116,19 4.496,20 5.354,21 5.503,22 4.807,23 4.747,24 6.415,25 4.739,26 5.555,27 5.708,28 4.955,29 4.916,30 6.651,31 4.899,32 5.712,33 5.88,34 5.019,35 5.024,36 6.785,37 4.991,38 5.807,39 5.998,40 5.004,41 5.077,42 6.861,43 5.016,44 5.835,45 6.046,46 4.881,47 5.022,48 6.889,49 4.938,50 5.703,51 5.922,52 4.64,53 4.855,54 6.751,55 4.751,56 0.074,57 1.064,58 13.58,59 6.747,60 16.837,61 7.968,62 0.531,63 1.884,64 28.133,65 11.685,66 41.046,67 14.14,68 0.695,69 2.532,70 40.329,71 16.193,72 56.058,73 19.403,74 0.778,75 3.064,76 49.956,77 20.238,78 96.563,79 24.274,80 1.043,81 3.566,82 60.228,83 23.585,84 96.073,85 28.642,86 1.038,87 3.852,88 68.795,89 27.353,90 109.954,91 34.694,92 1.207,93 3.83,94 75.265,95 28.908,96 156.498,97 36.875,98 1.098,99 3.326,100 67.314,101 25.466,102 138.141,103 32.452,104 38,105 83,106 0.231,107 0.568,108 0.737,109 0.827,110 0.863,111 0.879,112 3.812,113 0.859,114 -4.59,115 -4.51,116 -4.24,118 47.3,119 1,120 1,123 2,126 2,127 2,129 1,137 13,138 7,147 4,150 2,162 19,164 3,165 14,167 1,168 1,169 3,170 20,173 4,174 16,178 4,180 16,183 3,184 22,186 1,188 4,190 18,193 3,194 18,196 3,198 4,201 21,203 4,204 25,206 1,208 7,210 21,212 1,213 22,216 2,218 8,220 15,223 19,225 2,227 2,229 18,231 2,232 10,234 2,238 23,241 3014,242 30.299,243 30.299,244 30.299,245 30.299,246 30.299,247 26.829,248 30.107,249 17.014,250 30.897,251 25.625,252 25.625,253 25.625,254 25.625,255 25.625,256 20.015,257 42.947,258 7.961,259 26.559,260 4.68,261 2.443,262 1.325,263 0.729,264 0.49,265 0.382,266 4.548,270 1,271 1118,272 4.359,274 121.185,275 299.889,276 49.544,278 439.111,279 146.694,280 82.085,281 664.026,282 1.508,283 52.322,286 0.75,287 0.5,288 0.83,289 0.7,290 0.5,291 0.83,292 1,293 0.73,294 95,295 482,296 5.138,297 4.043,298 8.024,299 4.739,300 3.793,301 5.289,302 1.336,303 15.536,304 3.613,305 4.75,306 3.795,307 7.474,308 4.443,309 3.479,310 4.71,311 1.2,312 13.722,313 3.327,314 4.543,315 3.694,316 7.021,317 4.175,318 3.21,319 3.989,320 1.157,321 12.03,322 3.099,323 4.285,324 3.386,325 6.766,326 3.998,327 3.028,328 3.729,329 0.947,330 10.942,331 2.937,332 4.182,333 3.266,334 6.561,335 3.864,336 2.885,337 3.608,338 0.86,339 10.12,340 2.819,341 3.862,342 2.917,343 6.172,344 3.482,345 2.514,346 3.419,347 0.297,348 8.82,349 2.422,350 3.744,351 2.719,352 6.05,353 3.376,354 2.404,355 3.089,356 0.293,357 8.417,358 2.342,359 3.578,360 2.675,361 5.919,362 3.265,363 2.314,364 2.882,366 7.954,367 2.182,368 3.524,369 2.377,370 5.707,371 3.125,372 2.134,373 2.818,375 7.212,376 2.106,377 3.291,378 2.209,379 5.427,380 2.877,381 1.915,382 2.546,384 6.136,385 1.842,386 3.083,387 2.086,388 5.061,389 2.697,390 1.736,391 2.21,392 5.186,393 1.668,394 2.996,395 2.041,396 5.018,397 2.633,398 1.648,399 2.113,400 4.93,401 1.604,402 2.91,403 1.899,404 4.776,405 2.534,406 1.575,407 2.082,408 4.553,409 1.499,410 2.86,411 1.524,412 4.615,413 2.389,414 1.401,415 1.962,416 4.114,417 1.383,418 2.712,419 1.486,420 4.108,421 2.301,422 1.336,423 1.774,424 3.097,425 1.287,426 20.767,427 0.472,428 1.342,429 0.03,430 57.5,431 1.307,432 27,433 0.614,434 30.5,435 0.693,436 50.138,437 1.139,438 45.233,439 0.611,440 57.233,441 1.301,442 11.281,443 0.256,444 10.065,445 0.229,446 0.12,447 0.024,448 0.467,452 0.8,453 1.228,454 0.703,455 0.984,456 0.679,457 0.851,458 0.92,459 1.003,460 0.763,461 0.809,462 0.639,463 0.763,464 1.094,465 1.016,466 0.854,467 0.881,468 0.811,469 0.827,470 1.13,471 1.095,472 0.913,473 0.977,474 0.963,475 0.916,476 1.141,477 1.061,478 1.027,479 1.018,480 0.93,481 0.999,482 0.947,483 1.098,484 1.016,485 1.09,486 0.812,487 1.067,488 1.053,489 1.048,490 1.077,491 1.081,492 1.089,493 1.084,494 1.134,495 1.021,496 1.179,497 1.101,498 1.141,499 1.141,500 7,501 0.268,502 5.778,503 5.972,504 4.638,505 3.362,506 2.694,507 1.621,508 0.966,509 0.552,510 27782,511 69378,512 2.223,513 40.5,515 21,516 2,518 2,521 3,522 2,523 1.835,524 2.054,525 3.332,526 0.081,531 113.158,532 1.529,533 3.766,534 4.885,535 5.481,536 5.719,537 5.827,538 2.771,539 5.187,540 5.428,541 3.497,542 3308.49,543 9.693,544 52353.2,549 459.5,550 1.563,551 5.382,552 0.135,553 0.006,554 0.07,555 0.058,556 0.039,557 0.027,558 0.023,559 0.016,560 0.012,561 0.009,562 0.395,563 0.33,564 0.75,565 0.64,566 241.215,567 -0.054,568 -0.131,569 0.066,570 -0.014,571 -0.093,572 0.035,573 0.06,574 0.096,575 0.103,576 0.139,577 0.01,578 0.126,579 -0.019,580 0.056,581 0.052,582 0.071,583 -0.024,584 0.076,585 -0.047,586 -0.046,587 0.007,588 -0.017,589 0.004,590 -0.001,591 -0.047,592 -0.014,593 -0.084,594 -0.063,595 -0.031,596 -0.076,597 0.014,598 -0.092,599 -0.053,600 -0.112,601 0.027,602 -0.097,603 -0.022,604 -0.086,605 -0.063,606 -0.089,607 -0.017,608 -0.083,609 -0.085,610 -0.069,611 -0.15,612 -0.107,613 -0.078,614 -0.133,615 2.486,616 6.891,617 0.795,618 42.955,619 1.007,620 1.114,621 3.358,622 11.275,623 0.692,624 3.97,625 4.431,626 4.898,627 5.371,628 5.79,629 6.161,630 6.562,631 6.93,632 7.229,633 7.519,634 6.401,635 0.669,636 586.69,637 3.97,638 5.602,639 6.555,640 7.535,641 8.515,642 9.51,643 10.503,644 11.505,645 12.505,646 13.512,647 5.4,651 5}
{0 CHEMBL1241674,1 1.606,2 8.043,3 2.744,4 7.527,5 89.221,6 7.907,7 0.769,8 3.809,9 3.94,10 3.427,11 3.316,12 4.998,13 3.326,14 4.295,15 4.466,16 3.836,17 3.718,18 5.44,19 3.717,20 4.504,21 4.699,22 3.871,23 3.811,24 5.636,25 3.793,26 4.592,27 4.824,28 3.845,29 3.812,30 5.701,31 3.771,32 4.484,33 4.702,34 3.686,35 3.731,36 5.562,37 3.674,38 4.411,39 4.62,40 3.621,41 3.669,42 5.521,43 3.617,44 4.498,45 4.765,46 3.399,47 3.616,48 5.519,49 3.508,50 4.324,51 4.618,52 3.148,53 3.372,54 5.26,55 3.239,56 0.1,57 0.657,58 7.475,59 2.975,60 11.951,61 3.847,62 0.171,63 1.031,64 13.36,65 5.062,66 18.42,67 6.93,68 0.28,69 1.193,70 17.675,71 5.714,72 26.54,73 7.973,74 0.4,75 1.242,76 20.893,77 6.472,78 37.848,79 9.343,80 0.359,81 1.111,82 18.105,83 5.797,84 31.978,85 8.239,86 0.224,87 1.06,88 16.204,89 5.097,90 27.427,91 7.339,92 0.372,93 1.019,94 20.418,95 5.868,96 41.837,97 8.859,98 0.277,99 0.775,100 18.592,101 5.846,102 29.432,103 8.887,104 18,105 39,106 0.282,107 0.702,108 0.803,109 0.839,110 0.839,111 0.839,112 3.19,113 0.848,114 -4.06,115 -4.01,116 -3.79,118 41,119 2,126 1,137 4,138 2,139 1,141 1,142 1,143 1,147 2,153 1,155 1,156 1,157 1,158 1,162 3,164 2,165 6,166 1,167 1,169 6,170 4,172 1,173 1,174 3,176 1,178 5,180 4,183 2,184 4,185 3,186 4,188 1,190 4,194 5,196 2,197 2,198 1,200 1,201 2,202 1,204 7,208 5,210 3,211 3,213 5,216 1,218 3,220 2,221 2,223 2,225 1,227 1,229 4,230 1,234 2,235 1,237 1,238 2,241 675,242 15.378,243 15.378,244 15.378,245 15.378,246 15.378,247 13.109,248 11.643,249 8.753,250 15.732,251 12.838,252 12.838,253 12.838,254 12.838,255 12.838,256 9.309,257 8.663,258 4.155,259 13.432,260 3.68,261 1.282,262 0.705,263 0.5,264 0.5,265 0.5,266 3.883,268 1,269 1,270 1,271 405,272 2.739,274 79.825,275 106.169,278 156.45,282 1.18,283 21.386,284 1,285 1,286 1,287 1,288 1,289 0.6,291 1,292 1,293 0.8,294 50,295 185,296 4.771,297 3.382,298 7.042,299 4.309,300 3.347,301 4.748,303 12.1,304 3.22,305 4.463,306 3.022,307 6.332,308 3.962,309 2.989,310 4.406,312 9.716,313 2.907,314 3.836,315 2.672,316 6.055,317 3.501,318 2.546,319 3.272,321 8.473,322 2.426,323 3.744,324 2.507,325 5.668,326 3.321,327 2.369,328 3.18,330 7.328,331 2.252,332 3.449,333 2.19,334 4.963,335 3.001,336 2.053,337 2.816,339 5.799,340 1.939,341 3.037,342 1.815,343 4.818,344 2.681,345 1.741,346 2.303,348 4.817,349 1.633,350 3.02,351 1.535,352 4.427,353 2.519,354 1.535,355 2.158,357 4.303,358 1.51,359 2.891,360 1.421,361 4.369,362 2.346,363 1.412,364 2.066,366 3.836,367 1.315,368 2.468,369 1.019,370 3.854,371 1.967,372 1.015,373 1.454,375 2.718,376 0.964,377 2.109,378 0.819,379 3.482,380 1.728,381 0.777,382 1.003,384 1.991,385 0.737,386 1.944,387 0.536,388 3.159,389 1.432,390 0.468,391 0.683,392 1.177,393 0.449,394 1.061,395 -0.116,396 2.632,397 0.628,398 -0.288,399 -0.366,400 -0.674,401 -0.263,402 0.955,403 -0.167,404 2.421,405 0.521,406 -0.413,407 -0.534,408 -1.055,409 -0.38,410 0.697,411 -0.7,412 2.353,413 0.216,414 -0.728,415 -0.999,416 -2,417 -0.685,418 0.591,419 -0.825,420 2.252,421 0.087,422 -0.876,423 -1,424 -2.119,425 -0.837,426 10.733,427 0.467,428 0.716,429 0.031,430 32.75,431 1.424,432 17,433 0.739,434 15.75,435 0.685,436 16.793,437 0.73,438 24.067,439 0.617,440 22.778,441 0.99,442 6.282,443 0.273,444 4.76,445 0.207,446 0.161,448 0.457,452 1.009,453 1.225,454 0.768,455 0.935,456 1.097,457 0.83,458 0.707,459 1.175,460 0.646,461 0.946,462 0.518,463 0.808,464 1.125,465 1.194,466 0.951,467 0.996,468 0.924,469 0.947,470 0.89,471 0.927,472 0.911,473 0.904,474 0.813,475 0.903,476 0.975,477 0.991,478 1.113,479 1.034,480 0.84,481 1.079,482 1.131,483 1.349,484 1.193,485 1.211,486 1.004,487 1.199,488 1.029,489 0.872,490 1.191,491 0.955,492 0.928,493 1.057,494 0.691,495 0.823,496 0.841,497 0.918,498 0.8,499 0.906,500 5,501 0.012,502 2.889,503 2.333,504 1.932,505 0.674,506 0.671,507 0.317,508 0.24,509 0.119,510 5166,511 14062,512 2.115,513 41,515 5,517 1,518 4,520 6,523 1.663,524 1.944,525 3.012,526 1.865,527 1,528 1,529 1,531 62.621,532 1.606,533 4.003,534 4.58,535 4.785,536 4.785,537 4.785,538 2.442,539 4.263,540 4.496,541 3.132,542 792.445,543 7.772,544 8611.62,545 1,546 1,547 1,548 1,549 206.131,550 1.491,551 4.44,552 0.192,553 0.004,554 0.074,555 0.06,556 0.052,557 0.022,558 0.023,559 0.014,560 0.014,561 0.012,562 0.468,563 0.33,564 1,565 0.832,566 104.624,567 -0.111,568 -0.032,569 0.025,570 0.064,571 -0.225,572 0.065,573 0.103,574 -0.053,575 0.205,576 0.049,577 0.142,578 0.127,579 -0.131,580 -0.114,581 -0.044,582 -0.045,583 -0.067,584 -0.033,585 0.063,586 0.101,587 0.052,588 0.033,589 0.026,590 0.036,591 -0.032,592 0.056,593 -0.18,594 -0.087,595 -0.034,596 -0.147,597 -0.247,598 -0.282,599 -0.286,600 -0.269,601 -0.174,602 -0.279,603 -0.146,604 0.08,605 -0.184,606 -0.011,607 -0.093,608 -0.078,609 0.143,610 -0.007,611 0.231,612 0.096,613 0.112,614 0.171,615 1.441,616 3.629,617 0.783,618 16.246,619 1.009,620 1.135,621 2.827,622 7.994,623 0.674,624 3.296,625 3.689,626 4.025,627 4.382,628 4.644,629 4.804,630 4.942,631 5.124,632 5.136,633 5.187,634 4.958,635 0.653,636 308.38,637 3.296,638 4.875,639 5.765,640 6.688,641 7.602,642 8.531,643 9.454,644 10.385,645 11.312,646 12.245,647 15.4,651 5}
{0 CHEMBL124660,1 1.513,2 18.659,3 4.674,4 21.849,5 160.828,6 6.781,7 0.378,8 4.504,9 4.634,10 3.996,11 3.959,12 5.494,13 3.939,14 5.097,15 5.3,16 4.334,17 4.349,18 6.041,19 4.305,20 5.358,21 5.586,22 4.406,23 4.521,24 6.247,25 4.445,26 5.406,27 5.651,28 4.362,29 4.536,30 6.305,31 4.436,32 5.403,33 5.647,34 4.34,35 4.538,36 6.32,37 4.425,38 5.395,39 5.648,40 4.265,41 4.494,42 6.233,43 4.371,44 5.334,45 5.596,46 4.214,47 4.386,48 6.216,49 4.276,50 5.196,51 5.433,52 4.174,53 4.308,54 6.094,55 4.223,56 0.024,57 1.222,58 19.498,59 7.398,60 11.437,61 10.634,62 0.525,63 1.928,64 37.858,65 11.851,66 41.638,67 17.627,68 0.686,69 2.317,70 49.892,71 15.383,72 52.388,73 23.063,74 0.658,75 2.371,76 52.334,77 16.533,78 64.144,79 24.92,80 0.805,81 2.338,82 52.247,83 17.276,84 75.439,85 25.516,86 0.566,87 2.283,88 51.688,89 16.851,90 57.591,91 25.38,92 0.884,93 2.115,94 49.652,95 14.519,96 73.048,97 22.414,98 0.548,99 1.914,100 42.617,101 12.756,102 48.867,103 19.345,104 22,105 61,106 0.229,107 0.508,108 0.715,109 0.799,110 0.824,111 0.824,112 3.741,113 0.984,114 -4.15,115 -4.09,116 -3.87,118 37.3,119 2,120 4,123 1,124 8,126 1,137 6,138 1,139 4,141 1,142 1,143 1,151 1,162 5,164 3,165 14,167 2,169 2,170 5,173 2,174 9,178 2,180 3,183 3,184 7,190 7,193 5,194 6,196 2,201 6,203 2,204 5,210 1,212 5,213 6,216 1,218 3,222 2,223 6,227 1,229 2,231 2,232 9,234 1,236 1,238 5,241 4089,242 28.093,243 28.093,244 28.093,245 28.093,246 28.093,247 26.004,248 40.814,249 16.851,250 29.056,251 22.201,252 22.201,253 22.201,254 22.201,255 22.201,256 18.876,257 55.107,258 7.968,259 23.635,260 4.862,261 3.028,262 1.661,263 1.106,264 0.943,265 0.943,266 4.448,270 1,271 1652,272 4.243,275 695.423,279 211.342,282 3.243,283 34.55,286 0.75,287 0.5,288 0.67,289 0.9,290 1,291 0.83,292 1,293 0.81,294 89,295 765,296 4.597,297 3.691,298 6.725,299 4.143,300 3.185,301 4.523,302 1.701,303 10.984,304 3.055,305 4.109,306 3.34,307 6.149,308 3.813,309 2.87,310 3.657,311 0.86,312 9.064,313 2.704,314 4.049,315 3.106,316 6.048,317 3.678,318 2.742,319 3.525,320 0.86,321 8.686,322 2.559,323 3.9,324 3.011,325 5.661,326 3.565,327 2.625,328 3.129,329 0.86,330 7.513,331 2.462,332 3.607,333 2.831,334 5.519,335 3.449,336 2.521,337 2.934,338 0.8,339 7.362,340 2.34,341 3.521,342 2.595,343 5.34,344 3.274,345 2.342,346 2.714,347 0.8,348 6.965,349 2.172,350 3.477,351 2.499,352 5.196,353 3.164,354 2.227,355 2.522,356 0.563,357 6.538,358 2.072,359 3.141,360 2.307,361 4.801,362 2.813,363 1.861,364 2.334,365 0.075,366 5.225,367 1.765,368 2.983,369 2.195,370 4.415,371 2.75,372 1.812,373 2.051,375 4.53,376 1.695,377 2.903,378 2.029,379 4.351,380 2.604,381 1.629,382 1.997,384 4.046,385 1.585,386 2.731,387 1.7,388 4.024,389 2.446,390 1.497,391 1.753,392 3.39,393 1.41,394 2.589,395 1.559,396 3.882,397 2.307,398 1.387,399 1.584,400 3.134,401 1.271,402 2.5,403 1.464,404 3.7,405 2.196,406 1.237,407 1.5,408 3.119,409 1.174,410 2.401,411 1.376,412 3.447,413 2.002,414 1.073,415 1.366,416 2.578,417 1,418 2.252,419 1.146,420 3.414,421 2,422 1,423 1.214,424 2.275,425 0.988,426 19.233,427 0.469,428 0.848,429 0.021,430 48,431 1.171,432 20,433 0.488,434 28,435 0.683,436 42.849,437 1.045,438 46.767,439 0.563,440 39.363,441 0.96,442 9.074,443 0.221,444 10.921,445 0.266,446 0.095,448 0.296,452 0.859,453 1.654,454 0.862,455 1.349,456 0.646,457 1.137,458 1.143,459 1.073,460 0.965,461 0.977,462 0.664,463 0.94,464 1.237,465 1.063,466 1.021,467 0.975,468 0.934,469 0.963,470 1.054,471 1.046,472 1.003,473 1.02,474 1.244,475 1.003,476 0.931,477 0.993,478 1.003,479 1.042,480 1.335,481 1.041,482 0.939,483 1.151,484 0.99,485 1.117,486 0.935,487 1.075,488 1.054,489 0.941,490 0.995,491 0.917,492 0.839,493 0.94,494 1.264,495 1.094,496 1.064,497 1.036,498 1.092,499 1.018,500 7.5,501 0.264,502 4,503 2.125,504 2.293,505 1.25,506 0.926,507 0.63,508 0.448,509 0.345,510 33017,511 72394,512 2.105,513 50.6,514 2,515 26,517 1,518 1,520 10,521 2,523 1.801,524 2,525 4.128,526 -0.376,531 125.561,532 1.513,533 3.347,534 4.714,535 5.269,536 5.432,537 5.432,538 3.647,539 4.87,540 5.318,541 4.34,542 3558.6,543 9.376,544 67410.3,549 529.128,550 1.282,551 5.302,552 0.167,553 0.006,554 0.066,555 0.033,556 0.038,557 0.022,558 0.017,559 0.013,560 0.009,561 0.007,562 0.377,563 0.33,564 0.63,565 0.801,566 239.147,567 -0.005,568 -0.347,569 0.084,570 -0.165,571 0.016,572 -0.047,574 0.083,575 0.041,576 0.044,577 0.121,578 0.049,579 -0.077,580 -0.008,581 -0.013,582 0.026,583 -0.003,584 0.019,585 -0.031,586 -0.02,587 -0.011,588 -0.023,589 -0.028,590 -0.015,591 0.082,592 0.019,593 -0.017,594 -0.03,595 -0.033,596 -0.042,597 0.006,598 -0.165,599 -0.012,600 -0.109,601 -0.047,602 -0.072,603 0.064,604 0.046,605 0.017,606 0.029,607 0.065,608 0.017,609 -0.094,610 -0.057,611 -0.052,612 -0.058,613 -0.065,614 -0.048,615 1.779,616 5.911,617 0.683,618 71.748,619 0.998,620 1.136,621 2.92,622 8.526,623 0.633,624 3.829,625 4.127,626 4.382,627 4.635,628 4.89,629 4.956,630 5.13,631 5.252,632 5.375,633 5.464,634 10.427,635 0.596,636 562.79,637 3.829,638 5.361,639 6.201,640 7.066,641 7.923,642 8.794,643 9.661,644 10.537,645 11.41,646 12.29,647 7.2,650 1,651 5}
{0 CHEMBL1287853,1 1.604,2 16.351,3 5.318,4 28.281,5 147.876,6 7.188,7 0.45,8 4.371,9 4.497,10 4.019,11 3.889,12 5.369,13 3.842,14 4.938,15 5.128,16 4.328,17 4.271,18 6.08,19 4.207,20 5.195,21 5.411,22 4.346,23 4.419,24 6.197,25 4.302,26 5.303,27 5.572,28 4.288,29 4.382,30 6.295,31 4.254,32 5.17,33 5.392,34 4.201,35 4.294,36 6.317,37 4.214,38 5.038,39 5.252,40 4.156,41 4.306,42 6.029,43 4.205,44 5.106,45 5.353,46 4.197,47 4.337,48 6.073,49 4.205,50 5.076,51 5.315,52 4.098,53 4.27,54 6.039,55 4.136,56 0.096,57 1.121,58 19.611,59 6.83,60 18.6,61 9.228,62 0.49,63 1.759,64 33.291,65 11.432,66 69.127,67 15.683,68 0.453,69 2.131,70 45.659,71 14.336,72 62.867,73 19.753,74 0.609,75 2.129,76 58.518,77 16.676,78 88.167,79 22.658,80 0.859,81 1.86,82 44.316,83 13.074,84 119.388,85 17.925,86 0.37,87 1.832,88 35.993,89 12.133,90 53.078,91 17.495,92 0.467,93 1.916,94 39.463,95 13.852,96 57.019,97 19.972,98 0.319,99 1.843,100 41.493,101 13.165,102 49.703,103 18.833,104 40,105 57,106 0.249,107 0.563,108 0.739,109 0.802,110 0.808,111 0.808,112 3.641,113 1.052,114 -4.36,115 -4.3,116 -4.05,118 37,119 4,120 2,124 4,128 1,137 8,138 1,139 4,140 1,142 1,145 1,162 6,164 2,165 6,167 5,169 8,170 8,173 1,174 8,178 6,180 3,184 14,186 1,187 1,188 3,190 2,194 11,196 3,197 1,198 2,201 9,204 5,208 4,210 7,212 4,213 3,216 1,218 7,220 12,223 3,225 1,227 2,229 10,231 2,232 4,234 4,235 1,238 9,241 2967,242 24.159,243 24.159,244 24.159,245 24.159,246 24.159,247 21.673,248 38.907,249 14.205,250 24.832,251 19.81,252 19.81,253 19.81,254 19.81,255 19.81,256 16.019,257 60.338,258 6.843,259 20.944,260 4.586,261 2.559,262 1.429,263 1.025,264 0.987,265 0.987,266 4.33,270 1,271 1286,272 4.69,274 129.463,275 413.698,282 2.793,283 37.72,286 0.75,287 0.5,288 0.67,289 0.9,290 1,291 0.67,292 0.5,293 0.71,294 80,295 605,296 4.875,297 4.691,298 7.355,299 4.393,300 3.462,301 4.71,302 0.86,303 12.764,304 3.215,305 4.278,306 3.18,307 6.348,308 3.927,309 2.968,310 3.92,311 0.8,312 9.713,313 2.825,314 4.053,315 3.08,316 6.116,317 3.85,318 2.905,319 3.635,320 0.4,321 8.997,322 2.743,323 4.028,324 2.946,325 5.584,326 3.632,327 2.674,328 3.424,329 0.4,330 7.669,331 2.563,332 3.829,333 2.827,334 5.38,335 3.469,336 2.541,337 3.019,339 7.068,340 2.356,341 3.611,342 2.666,343 5.354,344 3.387,345 2.427,346 2.921,348 6.985,349 2.339,350 3.53,351 2.481,352 5.274,353 3.225,354 2.282,355 2.599,357 6.721,358 2.133,359 3.302,360 2.094,361 4.901,362 2.867,363 1.93,364 2.526,366 5.645,367 1.799,368 3.055,369 1.746,370 4.679,371 2.6,372 1.625,373 2.249,375 4.64,376 1.581,377 2.795,378 1.615,379 4.159,380 2.38,381 1.414,382 1.915,384 3.671,385 1.361,386 2.61,387 1.465,388 3.609,389 2.301,390 1.353,391 1.654,392 3.011,393 1.278,394 2.5,395 1.208,396 3.514,397 2.108,398 1.114,399 1.5,400 2.545,401 1.105,402 2.449,403 1.176,404 3.414,405 2,406 1,407 1.448,408 2.275,409 1,410 1.996,411 1,412 3.281,413 1.865,414 0.942,415 0.978,416 2.074,417 0.861,418 1.628,419 0.744,420 3.222,421 1.591,422 0.618,423 0.618,424 1.372,425 0.6,426 17.733,427 0.479,428 1.187,429 0.032,430 46.5,431 1.257,432 22.5,433 0.608,434 24,435 0.649,436 36.06,437 0.975,438 41.667,439 0.571,440 38.172,441 1.032,442 8.57,443 0.232,444 9.001,445 0.243,446 0.15,447 0.075,448 0.22,452 0.719,453 1.52,454 0.881,455 1.309,456 0.729,457 1.07,458 0.79,459 1.115,460 0.851,461 0.985,462 0.506,463 0.939,464 1.222,465 1.245,466 1.186,467 1.163,468 0.945,469 1.153,470 1.121,471 0.95,472 1.18,473 1.079,474 1.11,475 0.835,476 1.818,477 0.874,478 1.063,479 0.797,480 2.326,481 0.883,482 1.125,483 1.135,484 0.958,485 0.987,486 0.964,487 1.074,488 0.508,489 1.033,490 0.805,491 0.961,492 0.459,493 1.012,494 0.81,495 1.214,496 1.129,497 1.266,498 0.742,499 1.167,500 10.5,501 0.301,502 3.556,503 2.66,504 1.801,505 1.08,506 0.94,507 0.66,508 0.432,509 0.325,510 24047,511 57016,512 2.026,513 49.3,514 3,515 16,517 1,518 3,520 13,523 1.776,524 1.881,525 3.948,526 0.809,531 117.093,532 1.604,533 3.63,534 4.761,535 5.165,536 5.203,537 5.203,538 3.422,539 4.757,540 5.176,541 4.193,542 2792.67,543 9.083,544 48931,549 451.857,550 1.595,551 5.121,552 0.262,553 0.008,554 0.062,555 0.051,556 0.035,557 0.022,558 0.02,559 0.014,560 0.01,561 0.009,562 0.493,563 0.17,564 0.63,565 0.989,566 209.085,567 0.058,568 -0.223,569 0.187,570 -0.097,571 -0.15,573 0.243,574 0.031,575 0.122,576 0.041,577 0.343,578 0.055,579 -0.14,580 -0.145,581 -0.125,582 -0.124,583 -0.057,584 -0.174,585 -0.014,586 0.021,587 0.056,588 0.021,589 0.093,590 0.154,591 -0.192,592 0.098,593 -0.094,594 0.122,595 -0.238,596 0.048,597 -0.171,598 -0.069,599 -0.098,600 -0.031,601 -0.155,602 -0.082,603 0.187,604 -0.006,605 0.083,606 0.011,607 0.127,608 -0.004,609 -0.015,610 -0.164,611 -0.103,612 -0.217,613 0.012,614 -0.156,615 4.57,616 5.733,617 0.622,618 54.171,619 0.999,620 1.134,621 3.134,622 9.82,623 0.65,624 3.714,625 4.06,626 4.205,627 4.443,628 4.575,629 4.585,630 4.745,631 4.836,632 4.963,633 5.037,634 9.572,635 0.608,636 524.76,637 3.714,638 5.273,639 6.089,640 6.971,641 7.801,642 8.682,643 9.52,644 10.401,645 11.244,646 12.124,647 8.2,649 1,650 1,651 5}
{0 CHEMBL1289926,1 1.585,2 12.286,3 4.493,4 20.186,5 114.788,6 8.402,7 0.71,8 3.933,9 4.041,10 3.653,11 3.596,12 5.11,13 3.55,14 4.385,15 4.525,16 4.009,17 3.968,18 5.533,19 3.895,20 4.58,21 4.752,22 4.064,23 4.071,24 5.68,25 3.961,26 4.574,27 4.747,28 4.008,29 3.986,30 5.713,31 3.882,32 4.522,33 4.712,34 3.866,35 3.941,36 5.584,37 3.83,38 4.549,39 4.75,40 3.804,41 3.926,42 5.609,43 3.818,44 4.533,45 4.753,46 3.746,47 3.841,48 5.597,49 3.752,50 4.411,51 4.634,52 3.583,53 3.705,54 5.489,55 3.601,56 0.044,57 0.663,58 7.861,59 3.899,60 7.206,61 4.667,62 0.109,63 1.04,64 14.352,65 6.503,66 16.07,67 7.766,68 0.116,69 1.248,70 23.017,71 9.306,72 23.968,73 10.629,74 0.237,75 1.254,76 24.376,77 8.717,78 35.504,79 9.532,80 0.169,81 1.163,82 21.084,83 8.362,84 26.663,85 10.076,86 0.138,87 1.195,88 22.736,89 8.907,90 26.506,91 10.807,92 0.162,93 1.168,94 20.446,95 7.871,96 30.645,97 9.879,98 0.226,99 1.051,100 18.187,101 6.853,102 31.972,103 8.636,104 7,105 42,106 0.266,107 0.591,108 0.757,109 0.886,110 0.91,111 0.91,112 3.374,113 0.931,114 -4.38,115 -4.31,116 -4.07,118 47.8,123 1,132 2,137 10,138 2,139 2,140 1,141 2,147 1,150 1,160 1,162 9,165 6,167 1,169 3,170 14,174 5,178 4,180 10,184 6,188 4,190 11,194 2,196 1,198 3,201 10,203 1,204 6,208 3,210 9,213 6,218 4,220 8,222 1,223 3,225 1,227 3,229 6,232 1,234 1,235 1,236 1,238 7,241 1178,242 19.438,243 19.438,244 19.438,245 19.438,246 19.438,247 16.609,248 7.851,249 11.647,250 19.808,251 15.264,252 15.264,253 15.264,254 15.264,255 15.264,256 10.964,257 5.913,258 5.468,259 15.815,260 3.938,261 2.002,262 1.016,263 0.25,264 0.103,265 0.103,266 4.076,269 1,270 1,271 746,272 3.24,274 63.273,275 256.996,278 111.673,282 2.265,283 17.309,286 1,287 1,288 1,289 0.6,291 1,292 1,293 0.8,294 59,295 344,296 4.558,297 4.574,298 6.542,299 4.073,300 3.099,301 4.514,302 2.95,303 10.339,304 3.022,305 4.339,306 3.57,307 6.453,308 3.958,309 2.983,310 3.946,311 1.058,312 9.959,313 2.909,314 3.95,315 3.158,316 5.473,317 3.497,318 2.529,319 3.516,321 7.261,322 2.446,323 3.75,324 2.951,325 5.34,326 3.322,327 2.391,328 3.191,330 6.948,331 2.203,332 3.413,333 2.514,334 5.075,335 2.987,336 2.009,337 2.665,339 5.806,340 1.949,341 3.249,342 1.95,343 4.823,344 2.759,345 1.796,346 2.538,348 5.113,349 1.717,350 3.003,351 1.832,352 4.209,353 2.495,354 1.508,355 2.214,357 3.78,358 1.488,359 2.901,360 1.509,361 3.877,362 2.422,363 1.451,364 2.071,366 3.193,367 1.397,368 2.805,369 1.441,370 3.634,371 2.324,372 1.348,373 1.936,375 3.112,376 1.309,377 2.578,378 1.318,379 3.574,380 2.115,381 1.127,382 1.571,384 2.6,385 1.109,386 2.5,387 1.087,388 3.271,389 1.959,390 1,391 1.5,392 2.136,393 0.956,394 2.379,395 1,396 3.247,397 1.761,398 0.775,399 1.189,400 1.809,401 0.763,402 2.025,403 0.825,404 3.073,405 1.439,406 0.47,407 0.712,408 1.123,409 0.452,410 1.491,411 0.772,412 2.904,413 1.222,414 0.264,415 0.308,416 0.431,417 0.248,418 1.36,419 0.554,420 2.467,421 0.925,426 13.767,427 0.492,428 0.516,429 0.018,430 40.75,431 1.455,432 23.5,433 0.839,434 17.25,435 0.616,436 19.057,437 0.681,438 27.633,439 0.601,440 29.3,441 1.046,442 8.308,443 0.297,444 5.433,445 0.194,446 0.061,448 0.291,452 0.701,453 0.947,454 0.711,455 0.794,456 0.605,457 0.785,458 0.78,459 1.016,460 0.846,461 0.875,462 0.654,463 0.878,464 0.986,465 1.052,466 1.185,467 1.11,468 0.91,469 0.971,470 1.434,471 1.148,472 1.327,473 1.247,474 1.576,475 1.084,476 0.966,477 1.005,478 1.076,479 1.072,480 1.032,481 1.033,482 0.836,483 1.124,484 1.134,485 1.167,486 0.77,487 1.067,488 1.14,489 1.06,490 0.859,491 0.893,492 1.043,493 0.942,494 1.026,495 0.963,496 0.953,497 0.92,498 0.935,499 1.012,500 4.5,501 0.082,502 2.889,503 1.667,504 1.067,505 0.761,506 0.515,507 0.327,508 0.271,509 0.158,510 10784,511 29751,512 2.137,513 39.1,515 15,517 1,518 2,523 1.707,524 2.049,525 3.561,526 0.212,528 1,531 72.918,532 1.585,533 3.522,534 4.508,535 5.273,536 5.42,537 5.42,538 3.067,539 4.084,540 4.775,541 3.752,542 1418.13,543 8.285,544 19263.3,546 1,548 1,549 254.084,550 1.198,551 4.76,552 0.145,553 0.005,554 0.069,555 0.04,556 0.029,557 0.022,558 0.015,559 0.01,560 0.01,561 0.008,562 0.352,563 0.17,564 1,565 0.787,566 142.529,567 0.024,568 0.09,569 0.053,570 0.077,571 -0.061,572 0.052,573 0.034,574 0.019,575 0.048,576 0.062,577 0.008,578 0.006,579 -0.072,580 -0.044,581 -0.017,582 -0.004,583 0.01,584 0.003,585 -0.161,586 -0.116,587 -0.125,588 -0.148,589 -0.173,590 -0.136,591 -0.034,592 -0.029,593 -0.055,594 -0.057,595 -0.078,596 -0.058,597 0.015,598 -0.151,599 -0.111,600 -0.154,601 0.034,602 -0.077,603 -0.097,604 -0.08,605 0.008,606 0.003,607 -0.037,608 0.023,609 0.023,610 0.044,611 -0.067,612 -0.022,613 0.002,614 -0.055,615 1.758,616 5.075,617 0.75,618 31.077,619 1,620 1.109,621 3.15,622 9.92,623 0.727,624 3.466,625 3.761,626 4.043,627 4.29,628 4.477,629 4.511,630 4.663,631 4.82,632 4.92,633 5.043,634 7.218,635 0.689,636 386.51,637 3.466,638 4.99,639 5.838,640 6.703,641 7.566,642 8.438,643 9.307,644 10.184,645 11.057,646 11.936,647 8.7,651 5}
{0 CHEMBL1336,1 1.965,2 14.281,3 4.176,4 17.437,5 110.459,6 9.685,7 0.529,8 4.003,9 4.1,10 3.755,11 3.517,12 5.316,13 3.555,14 4.496,15 4.622,16 4.2,17 3.853,18 6.254,19 3.888,20 4.687,21 4.837,22 4.212,23 3.955,24 6.089,25 3.972,26 4.729,27 4.888,28 4.278,29 3.87,30 6.302,31 3.909,32 4.633,33 4.809,34 4.034,35 3.794,36 6.141,37 3.811,38 4.604,39 4.799,40 3.841,41 3.776,42 5.894,43 3.752,44 4.507,45 4.685,46 3.977,47 3.684,48 6.22,49 3.67,50 4.383,51 4.577,52 3.681,53 3.61,54 5.663,55 3.582,56 0.311,57 0.902,58 5.104,59 4.001,60 37.643,61 3.787,62 1.055,63 1.686,64 11.815,65 6.648,66 147.525,67 6.555,68 0.943,69 1.452,70 18.483,71 8.178,72 99.294,73 8.02,74 1.323,75 1.452,76 26.239,77 8.848,78 158.001,79 8.205,80 1.117,81 1.415,82 18.246,83 7.271,84 116.513,85 7.605,86 1.027,87 1.273,88 21.288,89 8.134,90 142.434,91 8.546,92 1.184,93 1.129,94 18.324,95 6.854,96 152.715,97 8.195,98 0.73,99 1.053,100 16.236,101 6.388,102 91.483,103 6.945,104 55,105 48,106 0.331,107 0.647,108 0.756,109 0.856,110 0.873,111 0.88,112 3.501,113 0.833,114 -3.51,115 -3.48,116 -3.33,118 43.8,123 1,130 1,137 9,138 1,139 5,140 1,141 1,150 1,151 1,162 4,165 6,167 3,168 1,169 4,170 7,173 1,174 3,176 1,178 5,180 6,183 1,184 4,188 4,190 4,193 1,194 5,196 2,198 6,201 4,204 2,210 4,212 1,213 5,216 1,218 5,220 8,223 2,227 2,229 4,232 4,234 1,236 2,238 2,241 1830,242 20.806,243 20.806,244 20.806,245 20.806,246 20.806,247 18.374,248 27.261,249 12.092,250 21.506,251 16.717,252 16.717,253 16.717,254 16.717,255 16.717,256 12.942,257 35.352,258 5.698,259 17.916,260 3.62,261 1.75,262 1.1,263 0.506,264 0.406,265 0.365,266 4.178,267 1,269 1,270 1,271 952,272 4.416,275 372.995,282 2.451,283 58.279,286 1,287 0.83,288 1,289 0.4,291 1,292 1,293 0.75,294 73.833,295 457,296 4.547,297 4.475,298 7.24,299 4.244,300 3.377,301 4.049,302 3.825,303 12.181,304 2.944,305 4.229,306 3.563,307 6.062,308 3.837,309 2.866,310 3.823,311 1.656,312 8.764,313 2.785,314 4.066,315 3.555,316 5.644,317 3.683,318 2.72,319 3.635,320 1.058,321 7.822,322 2.609,323 3.875,324 3.063,325 5.565,326 3.519,327 2.58,328 3.161,329 0.86,330 7.541,331 2.405,332 3.704,333 2.994,334 5.413,335 3.332,336 2.4,337 3.009,338 0.247,339 7.063,340 2.229,341 3.547,342 2.575,343 5.211,344 3.124,345 2.195,346 2.804,348 6.337,349 2.036,350 3.361,351 2.395,352 4.965,353 2.936,354 2.011,355 2.613,357 5.825,358 1.806,359 3.175,360 2.246,361 4.578,362 2.71,363 1.738,364 2.359,366 4.786,367 1.597,368 2.847,369 1.789,370 4.063,371 2.351,372 1.412,373 1.947,375 3.427,376 1.315,377 2.583,378 1.433,379 4.032,380 2.114,381 1.154,382 1.616,384 3.137,385 1.089,386 2.568,387 1.187,388 3.473,389 2.075,390 1.102,391 1.566,392 2.48,393 1.069,394 2.5,395 1.086,396 3.414,397 2,398 1,399 1.5,400 2.275,401 1,402 1.544,403 1,404 3.068,405 1.223,406 0.316,407 0.37,408 0.808,409 0.276,410 1.471,411 0.86,412 2.898,413 1.174,414 0.188,415 0.223,416 0.331,417 0.183,418 1.444,419 0.704,420 2.828,421 1.024,422 0.136,423 0.167,424 0.249,425 0.108,426 14.671,427 0.458,428 1.021,429 0.032,430 43.5,431 1.359,432 22.5,433 0.703,434 21,435 0.656,436 23.394,437 0.731,438 35.129,439 0.732,440 38.162,441 1.193,442 9.153,443 0.286,444 5.998,445 0.187,446 0.187,447 0.034,448 0.307,450 3,452 0.672,453 1.018,454 0.554,455 0.944,456 0.612,457 0.824,458 0.517,459 0.801,460 0.611,461 0.927,462 0.43,463 0.908,464 0.935,465 0.909,466 0.936,467 0.987,468 0.751,469 0.982,470 1.088,471 1.107,472 1.071,473 1.179,474 1.047,475 1.061,476 0.873,477 0.815,478 0.804,479 0.914,480 1.013,481 1.01,482 1.047,483 0.881,484 0.996,485 0.952,486 1.056,487 1.054,488 0.365,489 0.644,490 0.656,491 0.919,492 0.347,493 1.007,494 0.884,495 0.873,496 0.969,497 0.973,498 0.846,499 1.059,500 9,501 0.178,502 3.556,503 2.563,504 1.716,505 0.979,506 0.891,507 0.307,508 0.411,509 0.279,510 15376,511 65351,512 1.968,513 33.3,515 12,517 1,518 3,523 1.738,524 1.803,525 3.763,526 0.946,528 1,531 94.33,532 1.965,533 3.835,534 4.485,535 5.079,536 5.179,537 5.22,538 3.254,539 4.563,540 4.974,541 4.01,542 1989.05,543 8.658,544 31334,549 268.078,550 1.663,551 4.899,552 0.265,553 0.007,554 0.074,555 0.053,556 0.038,557 0.024,558 0.026,559 0.009,560 0.014,561 0.01,562 0.521,563 0.33,564 0.88,565 1.042,566 172.898,567 -0.085,568 -0.089,569 -0.005,570 -0.02,571 -0.105,572 0.022,573 0.329,574 0.244,575 0.097,576 0.014,577 0.36,578 -0.038,579 -0.142,580 -0.113,581 -0.055,582 -0.044,583 -0.061,584 -0.038,585 -0.065,586 -0.162,587 0.01,588 -0.189,589 -0.046,590 -0.097,591 0.026,592 0.089,593 -0.036,594 -0.003,595 -0.075,596 -0.064,597 -0.179,598 -0.018,599 -0.109,600 0.022,601 -0.185,602 -0.009,603 0.46,604 0.153,605 0.226,606 0.031,607 0.427,608 0.014,609 -0.126,610 -0.039,611 -0.089,612 -0.011,613 -0.106,614 -0.021,615 5.892,616 5.121,617 0.563,618 37.637,619 1.048,620 1.144,621 2.279,622 5.192,623 0.691,624 3.555,625 3.892,626 4.06,627 4.263,628 4.431,629 4.394,630 4.533,631 4.489,632 4.554,633 4.605,634 8.626,635 0.696,636 464.86,637 3.555,638 5.106,639 5.927,640 6.801,641 7.638,642 8.511,643 9.353,644 10.224,645 11.071,646 11.94,647 8.3,651 5}
{0 CHEMBL1421,1 1.781,2 14.515,3 3.439,4 11.829,5 130.334,6 8.272,7 0.472,8 4.186,9 4.31,10 3.868,11 3.71,12 5.289,13 3.681,14 4.723,15 4.911,16 4.273,17 4.092,18 5.802,19 4.04,20 4.941,21 5.151,22 4.314,23 4.218,24 5.982,25 4.141,26 5.006,27 5.228,28 4.28,29 4.257,30 6.04,31 4.143,32 5.048,33 5.295,34 4.247,35 4.219,36 6.107,37 4.099,38 4.913,39 5.139,40 4.3,41 4.148,42 5.979,43 4.032,44 4.818,45 5.046,46 4.105,47 4.07,48 5.861,49 3.938,50 4.729,51 4.975,52 3.899,53 3.905,54 5.736,55 3.791,56 0.095,57 0.941,58 11.465,59 5.069,60 10.998,61 6.429,62 0.43,63 1.487,64 24.882,65 8.224,66 31.59,67 10.997,68 0.6,69 1.695,70 35.684,71 10.349,72 45.533,73 13.753,74 0.546,75 1.729,76 37.657,77 12.51,78 51.32,79 16.654,80 0.76,81 1.693,82 45.193,83 13.007,84 79.856,85 17.006,86 0.671,87 1.578,88 38.884,89 11.058,90 68.555,91 13.89,92 0.533,93 1.499,94 38.483,95 11.075,96 49.188,97 13.638,98 0.487,99 1.324,100 32.202,101 9.003,102 43.612,103 11.771,104 28,105 50,106 0.289,107 0.627,108 0.771,109 0.863,110 0.863,111 0.863,112 3.531,113 0.988,114 -4.5,115 -4.42,116 -4.17,118 37.3,119 2,124 6,137 4,138 1,139 2,140 1,142 2,144 1,147 1,150 1,154 1,162 4,164 2,165 6,167 3,169 3,170 4,173 1,174 1,176 1,178 5,180 4,183 3,184 4,186 3,188 2,190 5,193 1,194 5,196 1,197 1,201 1,203 2,204 5,206 1,210 5,212 2,213 6,216 2,218 2,220 1,223 1,225 1,227 5,231 3,232 3,234 2,236 2,238 1,241 2001,242 22.195,243 22.195,244 22.195,245 22.195,246 22.195,247 19.929,248 32.957,249 13.115,250 23.048,251 17.742,252 17.742,253 17.742,254 17.742,255 17.742,256 14.303,257 53.106,258 6.184,259 19.239,260 4.101,261 2.018,262 1.131,263 0.568,264 0.568,265 0.568,266 4.224,267 1,270 1,271 1026,272 3.464,274 97.808,275 357.583,282 2.349,283 33.625,286 1,287 0.67,288 1,289 1,290 0.5,291 1,292 1,293 0.88,294 71.833,295 479,296 4.372,297 3.598,298 6.427,299 3.97,300 3.025,301 4.012,302 1.058,303 9.81,304 2.855,305 4.278,306 3.209,307 6.209,308 3.89,309 2.963,310 3.905,311 0.8,312 9.352,313 2.742,314 4.182,315 3.187,316 6.053,317 3.729,318 2.816,319 3.795,320 0.8,321 8.741,322 2.583,323 3.731,324 2.874,325 5.56,326 3.499,327 2.572,328 2.948,329 0.4,330 7.535,331 2.377,332 3.573,333 2.712,334 5.322,335 3.261,336 2.344,337 2.8,339 6.886,340 2.131,341 3.377,342 2.486,343 5.139,344 3.091,345 2.175,346 2.481,348 6.287,349 1.978,350 3.232,351 2.379,352 4.841,353 2.799,354 1.879,355 2.478,357 5.178,358 1.722,359 3.232,360 2.119,361 4.717,362 2.782,363 1.854,364 2.446,366 5.104,367 1.638,368 2.898,369 1.66,370 4.254,371 2.451,372 1.484,373 2.064,375 3.876,376 1.433,377 2.623,378 1.578,379 4.184,380 2.329,381 1.39,382 1.628,384 3.748,385 1.3,386 2.572,387 1.558,388 3.789,389 2.079,390 1.12,391 1.553,392 2.808,393 1.051,394 2.17,395 1.399,396 3.414,397 1.967,398 1.025,399 1.055,400 2.275,401 0.965,402 2.062,403 1.146,404 3.275,405 1.935,406 1,407 1.003,408 1.824,409 0.926,410 2,411 1.064,412 3.163,413 1.528,414 0.688,415 1,416 1.676,417 0.566,418 1.58,419 0.727,420 2.952,421 1.216,422 0.302,423 0.362,424 0.714,425 0.248,426 16.014,427 0.485,428 0.835,429 0.025,430 41.75,431 1.265,432 19,433 0.576,434 22.75,435 0.689,436 31.371,437 0.951,438 36.186,439 0.613,440 31.424,441 0.952,442 8.116,443 0.246,444 7.807,445 0.237,446 0.149,448 0.331,452 0.871,453 1.516,454 0.673,455 0.997,456 0.729,457 0.939,458 0.846,459 1.116,460 0.718,461 0.852,462 0.638,463 0.832,464 1.049,465 1.094,466 0.974,467 0.982,468 0.885,469 0.963,470 0.792,471 1.051,472 0.939,473 1.061,474 0.784,475 1.089,476 1.031,477 0.858,478 0.993,479 0.89,480 0.99,481 0.89,482 1.204,483 0.956,484 0.805,485 0.815,486 1.435,487 0.852,488 0.825,489 1.14,490 1.308,491 1.304,492 0.675,493 1.059,494 0.943,495 1.085,496 1.039,497 1.08,498 0.788,499 0.962,500 7.5,501 0.133,502 3.556,503 2.222,504 1.899,505 1.181,506 0.688,507 0.518,508 0.28,509 0.313,510 16711,511 48685,512 2.061,513 44.1,514 3,515 16,517 1,518 3,519 3,523 1.749,524 1.922,525 3.77,526 0.922,531 105.106,532 1.781,533 3.865,534 4.752,535 5.315,536 5.315,537 5.315,538 3.242,539 4.62,540 5.014,541 3.973,542 2097.49,543 8.765,544 32631.5,549 347.076,550 1.434,551 4.971,552 0.208,553 0.004,554 0.071,555 0.044,556 0.04,557 0.026,558 0.016,559 0.013,560 0.008,561 0.01,562 0.443,563 0.17,564 0.88,565 0.871,566 178.143,567 -0.103,568 -0.284,569 0.036,570 -0.029,571 -0.079,572 -0.005,573 0.046,574 0.031,575 0.118,576 0.1,577 0.062,578 0.096,579 -0.089,580 -0.01,581 -0.037,582 -0.021,583 -0.048,584 -0.022,585 0.071,586 -0.045,587 -0.009,588 -0.095,589 0.049,590 -0.103,591 0.004,592 0.083,593 0.046,594 0.094,595 0.05,596 0.101,597 -0.092,598 0.057,599 0.17,600 0.214,601 -0.151,602 0.114,603 0.027,604 -0.048,605 -0.116,606 -0.117,607 0.047,608 -0.054,609 -0.055,610 -0.037,611 -0.057,612 -0.038,613 0.005,614 0.009,615 1.933,616 5.693,617 0.697,618 39.278,619 1.01,620 1.134,621 3.268,622 10.678,623 0.679,624 3.611,625 3.932,626 4.174,627 4.419,628 4.595,629 4.654,630 4.727,631 4.868,632 4.963,633 5.03,634 8.272,635 0.642,636 488.07,637 3.611,638 5.153,639 5.994,640 6.866,641 7.721,642 8.595,643 9.455,644 10.33,645 11.193,646 12.069,647 11.9,650 1,651 5}
{0 CHEMBL14762,1 1.5,2 9.462,3 3.181,4 10.12,5 106.143,6 6.817,7 0.571,8 4.034,9 4.18,10 3.519,11 3.496,12 5.088,13 3.472,14 4.572,15 4.785,16 3.856,17 3.869,18 5.559,19 3.815,20 4.81,21 5.061,22 3.912,23 3.985,24 5.757,25 3.906,26 4.882,27 5.147,28 3.89,29 3.981,30 5.84,31 3.892,32 4.843,33 5.117,34 3.806,35 3.913,36 5.833,37 3.834,38 4.671,39 4.9,40 3.827,41 3.894,42 5.652,43 3.838,44 4.764,45 4.999,46 3.846,47 3.969,48 5.745,49 3.896,50 4.877,51 5.132,52 3.736,53 4.031,54 5.779,55 3.9,56 0.052,57 0.803,58 12.071,59 4.161,60 11.302,61 6.38,62 0.304,63 1.233,64 21.878,65 6.999,66 27.887,67 10.721,68 0.365,69 1.431,70 28.413,71 8.106,72 37.986,73 13.299,74 0.425,75 1.463,76 31.008,77 8.473,78 44.897,79 13.926,80 0.557,81 1.385,82 30.377,83 6.812,84 60.496,85 12.199,86 0.263,87 1.314,88 24.475,89 6.143,90 29.225,91 10.697,92 0.429,93 1.397,94 27.167,95 6.888,96 37.375,97 11.79,98 0.346,99 1.421,100 30.375,101 9.501,102 43.03,103 14.901,104 28,105 38,106 0.252,107 0.595,108 0.767,109 0.831,110 0.84,111 0.84,112 3.305,113 0.966,114 -4.72,115 -4.63,116 -4.35,118 36.5,119 3,120 1,124 2,126 2,137 5,138 1,141 1,142 1,145 1,152 1,153 1,162 7,164 3,165 2,167 3,169 2,170 7,173 2,176 1,177 1,178 4,180 3,183 1,184 7,186 3,187 1,188 3,194 5,196 3,198 1,204 9,208 6,213 9,216 1,217 1,218 3,223 6,225 1,227 2,229 5,232 2,236 4,238 9,241 1070,242 17.74,243 17.74,244 17.74,245 17.74,246 17.74,247 15.891,248 24.833,249 10.529,250 18.162,251 13.704,252 13.704,253 13.704,254 13.704,255 13.704,256 10.846,257 38.665,258 4.846,259 14.447,260 4.201,261 2.156,262 1.133,263 0.75,264 0.697,265 0.697,266 3.986,268 1,269 1,270 1,271 513,272 3.742,274 59.154,275 151.285,278 107.706,282 1.462,283 20.389,285 1,286 1,287 1,288 1,289 1,290 0.5,291 1,292 1,293 0.93,294 56,295 246,296 4.656,297 3.293,298 6.805,299 4.159,300 3.226,301 4.614,302 0.657,303 11.227,304 3.01,305 3.93,306 2.838,307 5.977,308 3.583,309 2.649,310 3.451,311 0.4,312 8.354,313 2.519,314 3.863,315 2.769,316 5.526,317 3.513,318 2.542,319 3.308,321 7.443,322 2.438,323 3.663,324 2.587,325 5.342,326 3.398,327 2.436,328 2.987,330 6.952,331 2.327,332 3.239,333 2.136,334 4.978,335 2.952,336 2.021,337 2.306,339 5.785,340 1.874,341 3.071,342 1.937,343 4.958,344 2.77,345 1.826,346 2.2,348 5.252,349 1.72,350 2.908,351 1.584,352 3.925,353 2.48,354 1.49,355 2.069,357 3.199,358 1.474,359 2.568,360 1.191,361 3.675,362 2.039,363 1.129,364 1.595,366 2.828,367 1.027,368 2.5,369 1.075,370 3.61,371 2,372 1,373 1.5,375 2.389,376 1,377 2.196,378 1.003,379 3.247,380 1.865,381 0.926,382 1.132,384 2.136,385 0.867,386 1.759,387 1,388 3.088,389 1.556,390 0.618,391 0.618,392 1.222,393 0.572,394 1.618,395 0.651,396 2.914,397 1.432,398 0.505,399 0.612,400 0.791,401 0.467,402 1.33,403 0.4,404 2.627,405 1.103,406 0.202,407 0.22,408 0.358,409 0.181,410 1,411 -0.155,412 2.618,413 0.611,414 -0.325,415 -0.41,416 -0.788,417 -0.302,418 0.735,419 -0.299,420 2.244,421 0.409,422 -0.52,423 -0.598,424 -1.136,425 -0.481,426 12.233,427 0.471,428 0.554,429 0.021,430 32.5,431 1.25,432 15,433 0.577,434 17.5,435 0.673,436 22.94,437 0.882,438 29.167,439 0.561,440 23.064,441 0.887,442 6.142,443 0.236,444 6.476,445 0.249,446 0.15,448 0.319,452 1.034,453 1.604,454 0.904,455 1.231,456 1.021,457 1.076,458 0.853,459 1.101,460 0.894,461 1.024,462 0.841,463 0.977,464 0.899,465 1.143,466 0.911,467 0.992,468 0.748,469 0.953,470 1.067,471 1.092,472 0.957,473 0.986,474 1.088,475 0.96,476 1.466,477 0.9,478 1.103,479 0.74,480 1.294,481 0.837,482 1.376,483 1.269,484 1.148,485 1.026,486 0.944,487 1.028,488 1.361,489 1.058,490 1.239,491 0.969,492 0.953,493 1.046,494 1.059,495 1.038,496 1.16,497 1.136,498 0.941,499 1.154,500 5,501 0.074,502 2.444,503 1.66,504 1.286,505 0.854,506 0.678,507 0.478,508 0.38,509 0.136,510 7233,511 16884,512 2.037,513 50,514 3,515 11,517 1,518 3,520 8,523 1.698,524 1.902,525 3.228,526 0.974,527 1,528 1,531 77.991,532 1.5,533 3.544,534 4.568,535 4.95,536 5.003,537 5.003,538 2.676,539 4.085,540 4.667,541 3.393,542 1102.79,543 8.128,544 13859,546 1,548 1,549 296.423,550 1.42,551 4.628,552 0.179,553 0.005,554 0.064,555 0.043,556 0.035,557 0.025,558 0.019,559 0.013,560 0.012,561 0.006,562 0.401,563 0.17,564 1,565 1.317,566 126.185,567 -0.083,568 -0.298,569 0.043,570 -0.081,571 -0.128,572 -0.016,573 0.174,574 0.066,575 0.084,576 0.01,577 0.037,578 0.021,579 0.098,580 -0.076,581 0.075,582 -0.017,583 0.07,584 0.018,585 0.056,586 -0.071,587 0.047,588 -0.045,589 -0.034,590 -0.012,591 -0.137,592 0.139,593 -0.066,594 0.129,595 -0.089,596 0.058,597 -0.259,598 -0.097,599 -0.149,600 -0.071,601 -0.113,602 -0.084,603 -0.181,604 0.099,605 -0.233,606 -0.025,607 -0.065,608 -0.111,609 -0.101,610 -0.015,611 -0.191,612 -0.129,613 0.005,614 -0.161,615 1.464,616 3.474,617 0.577,618 24.935,619 0.996,620 1.141,621 3.488,622 12.167,623 0.637,624 3.367,625 3.664,626 3.932,627 4.19,628 4.394,629 4.522,630 4.673,631 4.82,632 4.828,633 4.787,634 5.937,635 0.598,636 354.51,637 3.367,638 4.89,639 5.733,640 6.605,641 7.473,642 8.357,643 9.237,644 10.129,645 11.017,646 11.915,647 11.5,651 5}
{0 CHEMBL1614701,1 2.039,2 9.815,3 3.234,4 10.461,5 102.384,6 10.898,7 0.552,8 3.88,9 3.977,10 3.747,11 3.406,12 5.143,13 3.419,14 4.367,15 4.502,16 4.17,17 3.789,18 5.626,19 3.787,20 4.575,21 4.72,22 4.313,23 3.908,24 5.974,25 3.885,26 4.605,27 4.779,28 4.414,29 3.873,30 5.96,31 3.844,32 4.549,33 4.713,34 4.164,35 3.765,36 6.036,37 3.785,38 4.562,39 4.689,40 4.272,41 3.821,42 6.169,43 3.842,44 4.586,45 4.746,46 4.239,47 3.795,48 5.983,49 3.784,50 4.555,51 4.749,52 4.302,53 3.728,54 5.806,55 3.674,56 0.255,57 0.679,58 3.015,59 3.461,60 19.199,61 3.449,62 0.538,63 1.037,64 9.729,65 5.922,66 42.845,67 5.857,68 0.872,69 1.262,70 23.78,71 7.869,72 71.232,73 7.961,74 0.832,75 1.321,76 33.428,77 8.205,78 63.717,79 8.272,80 0.944,81 1.243,82 17.834,83 7.175,84 108.942,85 7.332,86 1.045,87 1.235,88 16.589,89 7.522,90 112.204,91 6.621,92 0.901,93 1.128,94 16.171,95 7.214,96 90.926,97 6.667,98 0.973,99 1.017,100 26.345,101 8.19,102 84.24,103 7.949,104 42,105 41,106 0.356,107 0.753,108 0.855,109 0.905,110 0.905,111 0.905,112 3.341,113 0.929,114 -4.17,115 -4.11,116 -3.89,117 1,118 40.5,123 1,124 2,137 4,138 1,139 5,141 1,147 1,150 1,152 1,160 1,162 2,164 1,165 2,167 1,169 3,170 4,173 1,174 4,176 1,178 5,180 3,184 2,186 2,187 2,190 3,193 1,196 3,198 1,201 4,203 2,204 2,206 2,208 2,210 3,212 1,213 8,218 4,220 1,223 6,226 1,229 1,232 2,234 1,236 1,241 1213,242 17.922,243 17.922,244 17.922,245 17.922,246 17.922,247 15.746,248 18.997,249 10.554,250 18.585,251 14.227,252 14.227,253 14.227,254 14.227,255 14.227,256 10.912,257 21.153,258 4.957,259 15.422,260 3.353,261 1.078,262 0.494,263 0.208,264 0.208,265 0.208,266 4.016,267 1,269 1,270 1,271 553,272 3.536,274 66.456,275 150.725,278 114.279,282 1.317,283 41.631,286 1,287 0.83,288 1,289 0.6,291 1,292 1,293 0.78,294 60.583,295 265,296 4.714,297 4.038,298 6.907,299 4.258,300 3.294,301 4.67,302 2.095,303 11.539,304 3.175,305 4.256,306 3.489,307 6.343,308 3.807,309 2.878,310 3.9,311 0.776,312 9.524,313 2.692,314 4.109,315 3.223,316 6.047,317 3.688,318 2.728,319 3.664,320 0.4,321 8.648,322 2.558,323 3.719,324 3.179,325 5.738,326 3.307,327 2.364,328 3.105,330 7.429,331 2.202,332 3.45,333 2.777,334 5.009,335 2.959,336 2.101,337 2.765,339 5.856,340 1.734,341 3.112,342 2.668,343 4.883,344 2.729,345 1.796,346 2.263,348 5.049,349 1.627,350 2.878,351 2.206,352 4.334,353 2.483,354 1.573,355 2.019,357 3.971,358 1.404,359 2.801,360 1.846,361 4.163,362 2.342,363 1.4,364 1.925,366 3.664,367 1.305,368 2.618,369 1.772,370 3.809,371 2.312,372 1.377,373 1.615,375 3.006,376 1.223,377 2.337,378 1.579,379 3.551,380 1.86,381 0.949,382 1.257,384 2.282,385 0.858,386 1.797,387 1.217,388 3.364,389 1.578,390 0.664,391 0.724,392 1.493,393 0.587,394 1.72,395 0.92,396 2.826,397 1.391,398 0.471,399 0.561,400 0.903,401 0.405,402 1.279,403 0.715,404 2.764,405 0.838,406 -0.006,407 -0.007,408 -0.014,409 -0.004,410 1.065,411 0.527,412 2.432,413 0.65,414 -0.266,415 -0.313,416 -0.551,417 -0.236,418 0.797,419 0.24,420 2.359,421 0.494,422 -0.44,423 -0.521,424 -0.847,425 -0.264,426 13.433,427 0.498,428 0.754,429 0.028,430 34,431 1.259,432 16,433 0.593,434 18,435 0.667,436 24.068,437 0.891,438 29.167,439 0.694,440 26.718,441 0.99,442 6.889,443 0.255,444 6.029,445 0.223,446 0.261,448 0.365,451 1,452 0.744,453 1.144,454 0.484,455 0.767,456 0.662,457 0.773,458 0.938,459 1.005,460 0.584,461 0.67,462 0.73,463 0.712,464 0.871,465 1.093,466 0.976,467 0.962,468 0.846,469 0.946,470 1.02,471 1.14,472 0.708,473 0.893,474 1.089,475 0.94,476 1.119,477 1.081,478 0.409,479 0.733,480 1.342,481 0.779,482 1.29,483 1.367,484 0.662,485 0.939,486 1.494,487 0.967,488 1.248,489 1.075,490 0.652,491 0.902,492 1.308,493 1.005,494 1.15,495 0.893,496 0.901,497 0.854,498 1.013,499 0.892,500 5.5,501 0.123,502 3.778,503 2.194,504 2.129,505 1.285,506 0.801,507 0.585,508 0.417,509 0.198,510 7560,511 31134,512 1.992,513 35.7,515 11,517 1,518 3,523 1.709,524 1.82,525 3.224,526 1.055,528 1,531 85.632,532 2.039,533 4.315,534 4.898,535 5.184,536 5.184,537 5.184,538 2.658,539 4.607,540 4.72,541 3.374,542 1184.36,543 8.245,544 14907.7,549 226.477,550 1.541,551 4.659,552 0.19,553 0.009,554 0.092,555 0.05,556 0.052,557 0.031,558 0.019,559 0.016,560 0.013,561 0.009,562 0.481,563 0.33,564 1,565 1.539,566 131.576,567 -0.069,568 -0.097,569 -0.007,570 0.02,571 -0.089,572 0.025,573 -0.134,574 -0.008,575 0.02,576 0.162,577 -0.061,578 0.145,579 0.06,580 -0.065,581 -0.074,582 -0.024,583 0.037,584 -0.036,585 -0.042,586 -0.023,587 0.063,588 0.006,589 -0.074,590 -0.021,591 0.034,592 0.095,593 0.039,594 0.085,595 0.007,596 0.106,597 0.004,598 -0.046,599 -0.061,600 -0.07,601 0.024,602 -0.135,603 -0.188,604 -0.075,605 -0.026,606 -0.059,607 -0.166,608 -0.131,609 -0.096,610 0.033,611 0.079,612 0.123,613 -0.086,614 0.107,615 2.362,616 7.137,617 0.556,618 23.923,619 1.039,620 1.135,621 2.942,622 8.656,623 0.711,624 3.401,625 3.738,626 4.025,627 4.29,628 4.533,629 4.673,630 4.771,631 4.89,632 4.92,633 4.868,634 5.818,635 0.694,636 457.71,637 3.401,638 4.949,639 5.808,640 6.698,641 7.585,642 8.487,643 9.386,644 10.293,645 11.199,646 12.111,647 9.5,651 5}
{0 CHEMBL162,1 1.512,2 8.057,3 3.82,4 14.59,5 131.874,6 7.649,7 0.571,8 4.263,9 4.37,10 3.882,11 3.832,12 5.286,13 3.826,14 4.873,15 5.021,16 4.374,17 4.318,18 5.859,19 4.309,20 5.178,21 5.337,22 4.61,23 4.573,24 6.149,25 4.556,26 5.369,27 5.531,28 4.757,29 4.756,30 6.333,31 4.727,32 5.532,33 5.717,34 4.778,35 4.847,36 6.495,37 4.794,38 5.585,39 5.797,40 4.686,41 4.848,42 6.518,43 4.761,44 5.533,45 5.767,46 4.425,47 4.709,48 6.463,49 4.58,50 5.314,51 5.575,52 3.935,53 4.389,54 6.201,55 4.21,56 0.027,57 0.917,58 12.149,59 5.573,60 11.265,61 6.965,62 0.37,63 1.627,64 25.463,65 9.887,66 30.97,67 12.55,68 0.571,69 2.159,70 35.68,71 13.607,72 40.408,73 17.155,74 0.443,75 2.615,76 42.815,77 17.103,78 43.837,79 21.674,80 0.654,81 3.038,82 52.426,83 19.901,84 53.811,85 25.674,86 0.548,87 3.117,88 57.473,89 22.265,90 66.036,91 29.664,92 0.67,93 2.864,94 56.948,95 21.781,96 84.94,97 29.533,98 0.536,99 2.232,100 47.876,101 17.849,102 74.079,103 24.601,104 21,105 68,106 0.238,107 0.589,108 0.78,109 0.837,110 0.857,111 0.878,112 3.592,113 0.875,114 -3.69,115 -3.66,116 -3.48,118 45.9,119 1,120 1,123 2,124 1,126 2,127 1,129 1,137 8,138 6,147 4,150 1,162 13,164 2,165 11,167 1,169 3,170 14,173 3,174 12,176 1,178 2,180 13,184 16,186 3,188 3,190 17,193 2,194 15,196 2,198 2,201 19,203 1,204 13,208 10,210 18,212 1,213 8,216 1,218 10,220 12,223 4,225 1,227 2,229 10,231 1,232 1,234 1,235 1,238 4,241 1554,242 24.479,243 24.479,244 24.479,245 24.479,246 24.479,247 21.802,248 28.268,249 13.618,250 25.037,251 20.655,252 20.655,253 20.655,254 20.655,255 20.655,256 16.241,257 43.083,258 6.255,259 21.485,260 4.419,261 2.197,262 0.988,263 0.627,264 0.496,265 0.365,266 4.332,270 1,271 655,272 3.606,274 83.28,275 145.816,276 35.366,278 304.128,279 103.607,280 57.287,281 460.14,282 0.986,283 31.918,286 1,287 0.67,288 1,289 0.8,290 0.5,291 1,292 1,293 0.85,294 75,295 282,296 5.131,297 4.031,298 8.018,299 4.73,300 3.785,301 5.285,302 1.157,303 15.502,304 3.602,305 4.747,306 3.722,307 7.443,308 4.418,309 3.454,310 4.71,311 1.081,312 13.599,313 3.307,314 4.507,315 3.378,316 6.984,317 4.144,318 3.178,319 3.952,320 0.86,321 11.874,322 3.072,323 4.188,324 3.256,325 6.655,326 3.852,327 2.872,328 3.612,329 0.473,330 10.548,331 2.807,332 3.861,333 2.75,334 6.172,335 3.462,336 2.505,337 3.412,338 0.4,339 8.784,340 2.39,341 3.691,342 2.678,343 6.05,344 3.365,345 2.389,346 3.043,347 0.297,348 8.42,349 2.333,350 3.521,351 2.532,352 5.844,353 3.181,354 2.236,355 2.862,357 7.654,358 2.107,359 3.408,360 2.327,361 5.654,362 3.06,363 2.07,364 2.62,366 7.069,367 2.039,368 3.126,369 2.011,370 5.264,371 2.736,372 1.766,373 2.23,375 5.664,376 1.703,377 2.932,378 1.901,379 4.97,380 2.54,381 1.589,382 2.097,384 4.926,385 1.508,386 2.867,387 1.705,388 4.719,389 2.428,390 1.435,391 1.997,392 4.264,393 1.418,394 2.855,395 1.494,396 4.14,397 2.38,398 1.381,399 1.957,400 3.045,401 1.378,402 2.662,403 1.399,404 4.027,405 2.198,406 1.228,407 1.722,408 2.917,409 1.19,410 2.371,411 1.286,412 3.853,413 2.063,414 1.138,415 1.342,416 2.822,417 1.044,418 2.126,419 1.149,420 3.658,421 1.879,422 0.939,423 1.064,424 2.394,425 0.876,426 16.6,427 0.474,428 1.022,429 0.029,430 44.25,431 1.264,432 19.5,433 0.557,434 24.75,435 0.707,436 38.341,437 1.095,438 36.2,439 0.593,440 38.554,441 1.102,442 8.525,443 0.244,444 8.555,445 0.244,446 0.11,447 0.03,448 0.47,452 0.835,453 1.254,454 0.724,455 1.006,456 0.653,457 0.868,458 1.08,459 0.99,460 0.771,461 0.782,462 0.702,463 0.734,464 1.178,465 0.948,466 0.845,467 0.816,468 0.866,469 0.782,470 1.13,471 1.078,472 0.889,473 0.967,474 0.838,475 0.905,476 1.163,477 1.028,478 1.047,479 1.013,480 0.793,481 1.007,482 0.983,483 1.072,484 1.033,485 1.076,486 0.852,487 1.062,488 0.911,489 1.07,490 1.128,491 1.151,492 1.067,493 1.171,494 0.945,495 1.048,496 1.216,497 1.192,498 1.274,499 1.241,500 5.5,501 0.025,502 4.667,503 4.84,504 3.922,505 2.588,506 2.086,507 0.973,508 0.411,509 0.147,510 14300,511 32464,512 2.268,513 42.6,515 18,516 1,518 2,521 3,522 2,523 1.784,524 2.111,525 2.956,526 0.134,531 92.203,532 1.512,533 3.734,534 4.943,535 5.303,536 5.435,537 5.566,538 2.248,539 4.879,540 5.104,541 3.062,542 1821.68,543 9.056,544 24785.1,549 361.775,550 1.549,551 5.058,552 0.131,553 0.006,554 0.069,555 0.057,556 0.04,557 0.027,558 0.024,559 0.015,560 0.012,561 0.009,562 0.39,563 0.5,564 0.75,565 0.74,566 176.229,567 -0.039,568 -0.127,569 0.085,570 -0.022,571 -0.069,572 0.039,573 0.025,574 0.11,575 0.133,576 0.176,577 0.003,578 0.171,579 0.021,580 0.123,581 0.086,582 0.145,583 -0.019,584 0.13,585 -0.05,586 -0.027,587 0.031,588 0.007,589 -0.01,590 0.025,591 -0.078,592 0.018,593 -0.099,594 -0.05,595 -0.007,596 -0.072,597 -0.06,598 -0.083,599 -0.068,600 -0.089,601 0.009,602 -0.08,603 -0.002,604 -0.123,605 -0.134,606 -0.156,607 0.019,608 -0.163,609 -0.054,610 -0.137,611 -0.187,612 -0.192,613 -0.098,614 -0.208,615 2.01,616 6.322,617 0.829,618 25.211,619 1.002,620 1.118,621 2.464,622 6.07,623 0.685,624 3.761,625 4.234,626 4.727,627 5.226,628 5.652,629 6.045,630 6.441,631 6.802,632 7.081,633 7.347,634 5.059,635 0.656,636 466.58,637 3.761,638 5.398,639 6.365,640 7.357,641 8.348,642 9.353,643 10.354,644 11.364,645 12.369,646 13.381,647 6.6,649 1,651 7.334}
{0 CHEMBL1721885,1 1.672,2 13.219,3 1.477,4 2.182,5 119.219,6 7.501,7 0.314,8 4.185,9 4.306,10 3.74,11 3.66,12 5.304,13 3.661,14 4.749,15 4.924,16 4.121,17 4.065,18 5.87,19 4.049,20 4.994,21 5.19,22 4.166,23 4.207,24 6.128,25 4.159,26 5.082,27 5.314,28 4.121,29 4.214,30 6.167,31 4.135,32 5.078,33 5.306,34 4.098,35 4.128,36 6.304,37 4.069,38 5.032,39 5.27,40 4.038,41 4.095,42 6.228,43 4.026,44 4.95,45 5.189,46 4.002,47 4.053,48 6.049,49 3.982,50 4.921,51 5.134,52 3.934,53 3.971,54 6.219,55 3.912,56 0.129,57 0.935,58 12.267,59 5.279,60 17.348,61 6.821,62 0.457,63 1.484,64 24.332,65 8.676,66 43.105,67 11.737,68 0.745,69 1.768,70 32.893,71 11.091,72 76.178,73 14.938,74 0.645,75 1.804,76 36.882,77 12.412,78 78.284,79 17.496,80 0.989,81 1.7,82 38.43,83 11.551,84 138.129,85 16.051,86 0.998,87 1.624,88 36.999,89 11.059,90 136.547,91 15.668,92 0.68,93 1.529,94 33.085,95 10.501,96 72.144,97 15.142,98 0.893,99 1.494,100 32.436,101 9.999,102 129.414,103 13.339,104 37,105 50,106 0.272,107 0.637,108 0.797,109 0.866,110 0.866,111 0.866,112 3.502,113 0.91,114 -2.31,115 -2.34,116 -2.31,118 39,119 2,124 6,126 1,132 1,133 1,137 3,138 3,139 2,147 2,150 2,162 6,165 2,167 2,169 8,170 7,173 1,174 3,176 1,177 1,178 6,180 8,184 4,186 2,187 1,188 3,190 7,194 3,196 2,197 1,198 4,201 5,203 1,204 4,206 1,208 5,210 4,213 3,216 1,217 1,218 5,220 4,222 1,223 3,225 3,226 1,227 2,229 3,231 1,232 3,236 2,238 1,241 1848,242 21.223,243 21.223,244 21.223,245 21.223,246 21.223,247 19.391,248 27.43,249 12.368,250 21.716,251 17.25,252 17.25,253 17.25,254 17.25,255 17.25,256 14.312,257 32.432,258 5.9,259 18.022,260 4.211,261 1.97,262 0.988,263 0.568,264 0.568,265 0.568,266 4.192,269 1,270 1,271 916,272 3.873,274 171.946,275 218.907,278 145.076,282 2.219,283 48.49,286 1,287 1,288 1,289 1,290 1,291 1,292 1,293 1,294 71.5,295 423,296 4.619,297 3.668,298 6.845,299 4.246,300 3.256,301 4.332,302 1.058,303 11.258,304 3.22,305 4.49,306 3.636,307 6.721,308 4.136,309 3.146,310 4.111,311 1.058,312 10.906,313 3.113,314 3.83,315 3.004,316 5.706,317 3.555,318 2.629,319 3.258,320 0.86,321 7.539,322 2.437,323 3.66,324 2.972,325 5.487,326 3.399,327 2.421,328 2.903,329 0.8,330 7.378,331 2.358,332 3.587,333 2.95,334 5.451,335 3.262,336 2.293,337 2.626,339 6.677,340 2.216,341 3.323,342 2.546,343 4.967,344 3.048,345 2.109,346 2.56,348 5.747,349 1.966,350 3.196,351 2.495,352 4.912,353 2.883,354 1.917,355 2.351,357 5.55,358 1.826,359 3.087,360 2.204,361 4.775,362 2.782,363 1.804,364 2.149,366 5.012,367 1.753,368 3.032,369 2.075,370 4.706,371 2.634,372 1.639,373 2.111,375 4.753,376 1.619,377 2.707,378 1.951,379 4.375,380 2.331,381 1.429,382 1.732,384 3.768,385 1.306,386 2.419,387 1.554,388 3.644,389 2.242,390 1.311,391 1.412,392 3.007,393 1.188,394 2.357,395 1.256,396 3.577,397 1.952,398 1,399 1.179,400 2.188,401 0.946,402 2,403 1.19,404 3.247,405 1.799,406 0.819,407 1,408 2.136,409 0.799,410 1.625,411 0.939,412 3.146,413 1.438,414 0.483,415 0.519,416 1.121,417 0.457,418 1.511,419 0.82,420 2.92,421 1.085,422 0.113,423 0.149,424 0.285,425 0.108,426 14.719,427 0.46,428 0.929,429 0.029,430 36.25,431 1.133,432 15,433 0.469,434 21.25,435 0.664,436 31.146,437 0.973,438 36.281,439 0.615,440 30.786,441 0.962,442 7.488,443 0.234,444 7.842,445 0.245,446 0.155,448 0.401,451 1,452 0.768,453 1.261,454 0.784,455 1.135,456 0.625,457 0.986,458 0.859,459 1.071,460 0.836,461 0.962,462 0.593,463 0.899,464 1.034,465 1.034,466 1.058,467 1.015,468 0.954,469 1.035,470 0.774,471 1.001,472 0.944,473 1.111,474 0.819,475 1.074,476 1.077,477 0.887,478 0.994,479 0.936,480 1.208,481 0.949,482 0.972,483 0.899,484 0.956,485 0.883,486 1.028,487 0.906,488 0.772,489 0.885,490 0.855,491 0.976,492 0.761,493 0.943,494 1.213,495 1.039,496 1.15,497 1.063,498 1.377,499 1.096,500 7,501 0.18,502 3.778,503 3.431,504 1.814,505 1.022,506 0.88,507 0.638,508 0.43,509 0.274,510 15023,511 43244,512 2.045,513 45.8,514 3,515 17,518 4,519 3,523 1.743,524 1.882,525 3.644,526 1.601,528 1,531 98.652,532 1.672,533 3.913,534 4.895,535 5.315,536 5.315,537 5.315,538 3.082,539 4.813,540 4.969,541 3.863,542 1916.02,543 8.683,544 28585.6,546 1,549 347.076,550 1.505,551 4.914,552 0.2,553 0.007,554 0.076,555 0.069,556 0.039,557 0.023,558 0.021,559 0.016,560 0.012,561 0.009,562 0.471,563 0.17,564 1,565 0.609,566 169.78,567 -0.086,568 -0.109,569 0.026,570 -0.008,571 -0.065,572 0.031,573 -0.043,574 -0.023,575 0.057,576 0.075,577 0.03,578 0.088,579 -0.095,580 0.002,581 -0.12,582 -0.003,583 -0.069,584 -0.057,585 -0.002,586 -0.071,587 -0.005,588 -0.119,589 0.003,590 -0.071,591 -0.029,592 -0.008,593 0.006,594 0.017,595 -0.032,596 0.015,597 0.022,598 0.023,599 0.041,600 0.076,601 0.027,602 0.068,603 0.049,604 -0.01,605 0.105,606 -0.002,607 0.031,608 0.053,609 -0.06,610 -0.081,611 -0.145,612 -0.1,613 -0.054,614 -0.145,615 2.096,616 5.816,617 0.625,618 36,619 1.014,620 1.138,621 1.078,622 1.163,623 0.643,624 3.584,625 3.932,626 4.205,627 4.489,628 4.644,629 4.663,630 4.82,631 4.934,632 4.942,633 5.011,634 7.755,635 0.621,636 442.54,637 3.584,638 5.142,639 5.999,640 6.891,641 7.767,642 8.663,643 9.55,644 10.449,645 11.342,646 12.245,647 6.8,650 1,651 5.699}
{0 CHEMBL1789941,1 1.454,2 8.217,3 2.741,4 7.514,5 87.719,6 7.473,7 0.577,8 3.83,9 3.964,10 3.419,11 3.379,12 4.917,13 3.361,14 4.393,15 4.579,16 3.766,17 3.812,18 5.342,19 3.761,20 4.662,21 4.912,22 3.726,23 3.893,24 5.519,25 3.793,26 4.671,27 4.931,28 3.794,29 3.896,30 5.617,31 3.814,32 4.649,33 4.893,34 3.712,35 3.876,36 5.675,37 3.777,38 4.555,39 4.837,40 3.475,41 3.656,42 5.585,43 3.543,44 4.166,45 4.425,46 3.14,47 3.392,48 5.114,49 3.28,50 4.06,51 4.274,52 3.265,53 3.408,54 5.073,55 3.326,56 0.041,57 0.682,58 8.241,59 3.401,60 9.986,61 4.712,62 0.131,63 1.111,64 15.972,65 6.023,66 16.474,67 8.592,68 0.168,69 1.289,70 23.327,71 7.929,72 29.134,73 11.904,74 0.319,75 1.31,76 24.085,77 7.725,78 35.496,79 11.607,80 0.191,81 1.284,82 22.816,83 7.672,84 37.649,85 11.491,86 0.341,87 1.111,88 22.197,89 6.431,90 46.383,91 9.929,92 0.152,93 0.763,94 14.408,95 4.675,96 28.391,97 7.021,98 0.105,99 0.743,100 11.964,101 4.393,102 18.547,103 6.355,104 4,105 36,106 0.253,107 0.65,108 0.797,109 0.84,110 0.84,111 0.84,112 3.189,113 0.93,114 -3.52,115 -3.5,116 -3.34,118 41.5,120 5,121 1,126 1,137 1,138 2,140 1,141 1,143 1,146 2,150 1,153 1,158 1,162 6,164 1,165 8,167 1,169 2,170 7,174 6,180 3,183 3,184 8,186 1,188 1,190 4,193 1,194 6,201 2,203 2,204 5,206 2,210 4,213 2,220 4,222 1,223 5,227 2,229 4,232 3,236 2,238 2,241 634,242 16.215,243 16.215,244 16.215,245 16.215,246 16.215,247 14.344,248 6.822,249 9.756,250 16.506,251 12.839,252 12.839,253 12.839,254 12.839,255 12.839,256 10.007,257 4.471,258 4.518,259 13.317,260 3.904,261 1.625,262 0.78,263 0.537,264 0.537,265 0.537,266 3.888,268 1,269 1,270 1,271 419,272 2.828,274 170.596,275 59.764,278 89.897,282 1.338,283 15.978,284 1,285 1,286 1,287 1,288 1,289 0.8,290 0.5,291 1,292 1,293 0.9,294 49,295 189,296 4.587,297 4.046,298 6.708,299 4.141,300 3.169,301 4.516,302 2.308,303 10.904,304 3.079,305 4.226,306 3.197,307 6.498,308 3.961,309 2.991,310 3.803,312 10.176,313 2.904,314 3.822,315 3.047,316 5.787,317 3.498,318 2.526,319 3.076,321 7.9,322 2.452,323 3.452,324 2.526,325 5.228,326 3.085,327 2.119,328 2.582,330 6.277,331 2.044,332 3.369,333 2.156,334 4.594,335 2.625,336 1.661,337 2.322,339 4.488,340 1.598,341 3.048,342 1.721,343 4.13,344 2.479,345 1.548,346 2.077,348 3.65,349 1.438,350 2.878,351 1.548,352 3.907,353 2.216,354 1.255,355 1.857,357 3.132,358 1.202,359 2.5,360 1.345,361 3.404,362 2.076,363 1.09,364 1.5,366 2.231,367 1.073,368 2.395,369 1.107,370 3.312,371 1.947,372 1,373 1.287,375 2.201,376 0.945,377 2.169,378 1,379 3.28,380 1.666,381 0.73,382 1.035,384 1.733,385 0.681,386 1.922,387 0.737,388 3.122,389 1.618,390 0.618,391 0.652,392 1.372,393 0.618,394 1.735,395 0.618,396 3,397 1.389,398 0.447,399 0.618,400 1.129,401 0.42,402 1.618,403 0.443,404 2.786,405 1.273,406 0.315,407 0.42,408 0.628,409 0.301,410 0.902,411 0.204,412 2.429,413 0.402,414 -0.539,415 -0.751,416 -1.225,417 -0.505,418 0.693,419 -0.551,420 2.188,421 0.209,422 -0.743,423 -1.039,424 -1.489,425 -0.705,426 10.9,427 0.474,428 0.393,429 0.017,430 30.5,431 1.326,432 15,433 0.652,434 15.5,435 0.674,436 18.157,437 0.789,438 23.9,439 0.583,440 18.79,441 0.817,442 5.394,443 0.235,444 5.971,445 0.26,446 0.037,448 0.312,452 0.766,453 1.309,454 0.758,455 1.077,456 0.43,457 0.944,458 0.858,459 1.159,460 0.92,461 1.086,462 0.486,463 1.025,464 0.927,465 1.137,466 0.95,467 1.069,468 0.691,469 1.023,470 0.927,471 0.81,472 0.856,473 0.799,474 0.718,475 0.814,476 0.971,477 1.162,478 1.026,479 1.129,480 0.966,481 1.093,482 1.158,483 0.826,484 1.069,485 0.89,486 1.744,487 0.954,488 1.165,489 0.874,490 1.085,491 0.927,492 1.718,493 0.983,494 0.894,495 1.064,496 1.019,497 1.098,498 0.791,499 1.08,500 3,501 0.037,502 2.667,503 1.215,504 0.733,505 0.647,506 0.376,507 0.172,508 0.136,509 0.096,510 5727,511 13930,512 2.196,513 43.9,514 8,515 2,516 2,517 2,518 1,519 2,520 1,523 1.66,524 2.123,525 3.049,526 -0.284,527 1,528 1,529 1,531 59.604,532 1.454,533 3.732,534 4.577,535 4.821,536 4.821,537 4.821,538 2.392,539 3.762,540 4.498,541 3.233,542 817.862,543 7.757,544 9238.71,545 1,546 1,548 1,549 219.66,550 1.121,551 4.483,552 0.115,553 0.004,554 0.074,555 0.037,556 0.02,557 0.02,558 0.016,559 0.01,560 0.006,561 0.005,562 0.308,563 0.33,564 1,565 0.787,566 106.314,567 0.081,568 -0.125,569 0.074,570 -0.046,571 0.165,572 0.003,573 0.035,574 -0.064,575 -0.03,576 -0.078,577 0.037,578 -0.066,579 -0.043,580 -0.179,581 0.016,582 -0.073,583 0.018,584 -0.029,585 0.102,586 0.166,587 0.135,588 0.167,589 0.055,590 0.157,591 -0.037,592 -0.184,593 -0.064,594 -0.146,595 0.006,596 -0.115,597 0.014,598 0.129,599 -0.044,600 0.033,601 -0.207,602 -0.006,603 -0.215,604 0.088,605 -0.107,606 0.053,607 -0.279,609 -0.033,610 -0.032,611 -0.1,612 -0.089,613 0.035,614 -0.101,615 1.167,616 3.18,617 0.826,618 17.149,619 0.998,620 1.134,621 2.291,622 5.25,623 0.673,624 3.296,625 3.611,626 3.951,627 4.263,628 4.357,629 4.489,630 4.625,631 4.71,632 4.71,633 4.787,634 5.368,635 0.641,636 306.41,637 3.296,638 4.828,639 5.7,640 6.589,641 7.478,642 8.373,643 9.267,644 10.164,645 11.061,646 11.959,647 14.6,651 5}
{0 CHEMBL180022,1 1.64,2 15.75,3 5.095,4 25.957,5 155.746,6 8.074,7 0.535,8 4.323,9 4.436,10 3.953,11 3.866,12 5.504,13 3.856,14 4.823,15 4.99,16 4.287,17 4.211,18 5.95,19 4.188,20 5.034,21 5.207,22 4.416,23 4.356,24 6.189,25 4.313,26 5.116,27 5.33,28 4.384,29 4.375,30 6.215,31 4.307,32 5.087,33 5.277,34 4.401,35 4.408,36 6.257,37 4.343,38 5.11,39 5.304,40 4.487,41 4.433,42 6.295,43 4.382,44 5.143,45 5.327,46 4.498,47 4.435,48 6.404,49 4.376,50 5.1,51 5.3,52 4.403,53 4.344,54 6.311,55 4.271,56 0.063,57 0.996,58 12.243,59 5.847,60 13.293,61 7.294,62 0.342,63 1.527,64 24.666,65 9.35,66 31.741,67 11.878,68 0.569,69 1.813,70 33.334,71 11.829,72 56.824,73 14.934,74 0.594,75 1.909,76 38.801,77 13.573,78 68.673,79 17.944,80 0.671,81 1.869,82 38.318,83 13.487,84 71.405,85 17.429,86 0.482,87 1.956,88 36.057,89 13.018,90 59.248,91 17.037,92 0.673,93 1.965,94 39.088,95 13.007,96 100.549,97 16.255,98 0.668,99 1.79,100 42.208,101 13.335,102 93.345,103 17.149,104 54,105 58,106 0.254,107 0.623,108 0.82,109 0.883,110 0.883,111 0.883,112 3.717,113 0.905,114 -2.49,115 -2.52,116 -2.46,118 43.5,119 1,123 2,124 3,132 2,137 8,138 2,139 6,140 2,141 2,150 2,162 5,165 11,167 1,169 6,170 5,173 1,174 9,176 1,178 5,180 4,183 2,184 4,186 2,188 2,190 8,193 2,194 6,196 3,197 1,198 2,201 9,204 11,206 1,210 12,212 1,213 8,216 2,218 3,220 8,222 2,223 8,225 1,227 4,229 7,231 3,232 5,236 2,238 2,241 3800,242 27.101,243 27.101,244 27.101,245 27.101,246 27.101,247 23.885,248 36.005,249 16.333,250 27.862,251 21.167,252 21.167,253 21.167,254 21.167,255 21.167,256 16.155,257 48.297,258 7.659,259 22.361,260 4.469,261 2.092,262 0.815,263 0.41,264 0.41,265 0.41,266 4.412,267 1,270 1,271 1326,272 4.583,275 520.413,279 202.84,282 2.538,283 40.681,286 0.75,287 0.5,288 0.67,289 0.7,290 0.5,291 0.67,292 0.5,293 0.61,294 86.333,295 630,296 4.64,297 4.073,298 6.741,299 4.181,300 3.204,301 4.576,302 2.035,303 11.049,304 3.129,305 4.25,306 3.496,307 6.168,308 3.816,309 2.883,310 3.896,311 1.151,312 9.17,313 2.703,314 4.14,315 3.298,316 6.069,317 3.727,318 2.778,319 3.663,320 1.058,321 8.761,322 2.599,323 3.892,324 3.22,325 5.639,326 3.468,327 2.509,328 3.442,329 0.916,330 7.373,331 2.404,332 3.79,333 2.953,334 5.344,335 3.363,336 2.374,337 3.134,338 0.86,339 6.969,340 2.345,341 3.629,342 2.787,343 5.227,344 3.179,345 2.239,346 2.897,347 0.4,348 6.516,349 2.107,350 3.553,351 2.644,352 5.063,353 3.114,354 2.168,355 2.842,356 0.172,357 6.092,358 2.037,359 3.309,360 2.445,361 4.806,362 3.064,363 2.106,364 2.605,366 5.27,367 1.986,368 3.217,369 2.227,370 4.641,371 2.779,372 1.815,373 2.238,375 5.093,376 1.744,377 3.004,378 2.123,379 4.281,380 2.503,381 1.564,382 2.107,384 3.896,385 1.473,386 2.939,387 2.053,388 4.184,389 2.36,390 1.439,391 1.962,392 3.72,393 1.314,394 2.83,395 1.723,396 3.636,397 2.339,398 1.414,399 1.766,400 3.122,401 1.232,402 2.712,403 1.594,404 3.567,405 2.003,406 1.024,407 1.5,408 2.197,409 0.997,410 2.525,411 1.509,412 3.247,413 1.959,414 1,415 1.357,416 2.136,417 0.956,418 2.5,419 1.244,420 3.208,421 1.916,422 0.972,423 1.258,424 1.951,425 0.909,426 19.114,427 0.478,428 0.886,429 0.022,430 56,431 1.4,432 30,433 0.75,434 26,435 0.65,436 34.223,437 0.856,438 42.086,439 0.61,440 49.468,441 1.237,442 11.336,443 0.283,444 8.035,445 0.201,446 0.154,448 0.309,452 0.812,453 1.347,454 0.661,455 1.053,456 0.589,457 0.927,458 1.113,459 1.073,460 0.756,461 0.854,462 0.61,463 0.818,464 1.153,465 1.14,466 0.956,467 1.028,468 0.886,469 0.994,470 0.955,471 0.926,472 0.848,473 0.911,474 0.862,475 0.891,476 0.94,477 0.913,478 1.058,479 0.981,480 1.136,481 0.952,482 0.996,483 1.081,484 0.816,485 0.923,486 1.059,487 0.889,488 1.393,489 1.024,490 1.151,491 0.945,492 1.792,493 0.987,494 1.184,495 1.015,496 1.235,497 1.086,498 1.258,499 1.026,500 8,501 0.355,502 4,503 2.125,504 2.533,505 1.528,506 1.093,507 0.887,508 0.639,509 0.338,510 26029,511 75280,512 2.036,513 42,515 22,517 2,518 2,520 3,523 1.803,524 1.905,525 3.876,526 0.149,531 113.135,532 1.64,533 4.016,534 5.293,535 5.699,536 5.699,537 5.699,538 3.383,539 5.072,540 5.283,541 4.088,542 3188.76,543 9.348,544 56274.5,549 421.488,550 1.406,551 5.251,552 0.186,553 0.008,554 0.069,555 0.034,556 0.042,557 0.024,558 0.016,559 0.014,560 0.011,561 0.007,562 0.412,563 0.33,564 0.75,565 1.572,566 227.222,567 -0.049,568 -0.194,569 0.03,570 -0.081,571 -0.03,572 -0.017,573 -0.093,574 0.013,575 0.062,576 0.098,577 0.032,578 0.103,579 -0.029,580 -0.095,581 -0.031,582 -0.061,583 -0.027,584 -0.061,585 0.037,586 0.065,587 0.1,588 0.071,589 0.032,590 0.091,591 0.086,592 0.09,593 -0.032,594 0.024,595 -0.013,596 0.024,597 -0.027,598 -0.049,599 0.1,600 0.051,601 0.007,602 0.071,603 -0.166,604 0.017,605 -0.08,606 0.026,607 -0.18,608 -0.058,609 -0.001,610 -0.04,611 -0.028,612 -0.072,613 0.026,614 -0.049,615 1.964,616 5.613,617 0.55,618 59.85,619 1.008,620 1.124,621 1.264,622 1.598,623 0.687,624 3.784,625 4.078,626 4.317,627 4.575,628 4.852,629 4.977,630 5.13,631 5.313,632 5.447,633 5.485,634 8.962,635 0.658,636 557.1,637 3.784,638 5.313,639 6.146,640 7.013,641 7.871,642 8.749,643 9.621,644 10.505,645 11.386,646 12.276,647 8.7,650 1,651 5}
{0 CHEMBL1908391,1 1.54,2 16.667,3 4.475,4 20.029,5 146.666,6 7.556,7 0.575,8 4.28,9 4.407,10 3.903,11 3.864,12 5.339,13 3.817,14 4.812,15 4.999,16 4.255,17 4.246,18 5.814,19 4.182,20 5.037,21 5.241,22 4.236,23 4.383,24 6.005,25 4.278,26 5.175,27 5.434,28 4.202,29 4.381,30 6.092,31 4.232,32 5.086,33 5.353,34 4.21,35 4.309,36 5.994,37 4.17,38 4.875,39 5.072,40 4.12,41 4.257,42 5.876,43 4.129,44 4.947,45 5.191,46 3.976,47 4.197,48 5.882,49 4.063,50 4.807,51 5.025,52 3.998,53 4.113,54 5.832,55 4.011,56 0.043,57 1.016,58 13.973,59 5.934,60 9.96,61 7.836,62 0.303,63 1.668,64 27.936,65 9.47,66 24.758,67 13.038,68 0.251,69 1.964,70 33.846,71 12.832,72 34.462,73 17.464,74 0.369,75 2.105,76 42.94,77 15.603,78 55.382,79 21.355,80 0.403,81 1.937,82 44.21,83 14.615,84 51.009,85 19.32,86 0.315,87 1.685,88 33.664,89 12.227,90 36.653,91 15.636,92 0.338,93 1.669,94 35.001,95 12.794,96 42.861,97 17.207,98 0.283,99 1.47,100 28.205,101 10.532,102 40.085,103 14.224,104 10,105 55,106 0.242,107 0.57,108 0.746,109 0.823,110 0.855,111 0.855,112 3.615,113 0.972,114 -4.35,115 -4.29,116 -4.05,118 42.4,119 1,123 1,124 5,137 9,138 4,139 2,140 2,141 1,146 1,150 1,154 1,162 11,165 6,167 2,169 6,170 11,173 1,174 6,178 5,180 7,183 1,184 9,187 1,188 5,190 5,194 7,198 3,201 8,204 4,206 3,208 3,210 10,212 1,213 3,216 1,218 2,220 11,222 1,223 5,227 3,229 11,232 6,236 2,238 8,241 2730,242 24.549,243 24.549,244 24.549,245 24.549,246 24.549,247 21.675,248 30.255,249 14.579,250 25.183,251 19.776,252 19.776,253 19.776,254 19.776,255 19.776,256 15.497,257 48.345,258 7.021,259 20.793,260 4.505,261 2.417,262 1.296,263 0.803,264 0.599,265 0.599,266 4.323,270 1,271 1323,272 3.317,274 108.605,275 541.861,282 2.722,283 22.582,286 1,287 0.83,288 1,289 0.8,290 0.5,291 1,292 1,293 0.88,294 76,295 600,296 4.332,297 3.573,298 6.199,299 3.932,300 2.973,301 3.988,302 1.058,303 9.294,304 2.887,305 4.249,306 3.081,307 6.114,308 3.861,309 2.885,310 3.88,311 0.916,312 8.965,313 2.802,314 4.164,315 3.044,316 6.032,317 3.785,318 2.797,319 3.759,320 0.8,321 8.625,322 2.757,323 3.818,324 2.885,325 5.588,326 3.604,327 2.657,328 3.253,329 0.4,330 7.698,331 2.52,332 3.73,333 2.687,334 5.31,335 3.337,336 2.386,337 3.117,338 0.172,339 6.852,340 2.266,341 3.544,342 2.445,343 5.205,344 3.227,345 2.311,346 2.782,348 6.481,349 2.111,350 3.434,351 2.334,352 5.127,353 3.08,354 2.123,355 2.55,357 6.247,358 2.002,359 3.128,360 2.269,361 4.806,362 2.861,363 1.928,364 2.366,366 5.438,367 1.785,368 3.033,369 1.869,370 4.376,371 2.667,372 1.719,373 2.052,375 4.299,376 1.624,377 2.831,378 1.795,379 4.126,380 2.377,381 1.414,382 1.965,384 3.631,385 1.352,386 2.744,387 1.509,388 4.045,389 2.282,390 1.265,391 1.75,392 3.363,393 1.276,394 2.527,395 1.146,396 3.485,397 2.01,398 1.058,399 1.54,400 2.587,401 1,402 2.5,403 1.085,404 3.414,405 2,406 1,407 1.5,408 2.275,409 0.999,410 2.5,411 1,412 3.414,413 1.967,414 1,415 1.5,416 2.275,417 0.965,418 2.169,419 1,420 3.265,421 1.954,422 1,423 1.007,424 2.136,425 0.951,426 17.567,427 0.488,428 0.814,429 0.023,430 48.25,431 1.34,432 24.5,433 0.681,434 23.75,435 0.66,436 30.923,437 0.859,438 37.633,439 0.57,440 37.039,441 1.029,442 9.517,443 0.264,444 8.013,445 0.223,446 0.076,448 0.302,452 0.847,453 1.335,454 0.773,455 0.989,456 0.621,457 0.935,458 1.017,459 1.057,460 0.905,461 0.904,462 0.59,463 0.866,464 1.054,465 1.176,466 1.004,467 1.09,468 0.864,469 1.136,470 0.966,471 0.962,472 0.868,473 0.927,474 0.981,475 0.975,476 1.191,477 0.818,478 0.961,479 0.818,480 1.229,481 0.738,482 0.919,483 1.09,484 1.331,485 1.281,486 1.023,487 1.152,488 0.965,489 0.934,490 0.988,491 0.989,492 1.209,493 0.973,494 1.103,495 1.006,496 0.833,497 0.954,498 1.479,499 0.981,500 7.5,501 0.197,502 3.556,503 1.847,504 1.779,505 0.934,506 0.696,507 0.635,508 0.349,509 0.263,510 23949,511 56104,512 2.137,513 45.5,514 3,515 22,516 1,517 2,518 2,523 1.769,524 2.038,525 3.996,526 0.148,531 101.608,532 1.54,533 3.627,534 4.748,535 5.241,536 5.446,537 5.446,538 3.51,539 4.649,540 5.137,541 4.174,542 2629.52,543 9.002,544 45020.9,549 398.93,550 1.256,551 5.118,552 0.188,553 0.006,554 0.065,555 0.035,556 0.038,557 0.019,558 0.015,559 0.015,560 0.009,561 0.007,562 0.396,563 0.17,564 0.75,565 0.442,566 201.777,567 -0.023,568 -0.183,569 0.073,570 -0.017,571 -0.025,572 0.008,573 0.017,574 0.069,575 0.045,576 0.057,577 0.085,578 0.067,579 -0.093,580 -0.138,581 -0.136,582 -0.159,583 0.003,584 -0.182,585 0.029,586 -0.016,587 0.082,588 0.03,589 0.076,590 0.014,591 -0.053,592 0.147,593 0.193,594 0.243,595 0.016,596 0.266,597 0.04,598 -0.031,599 -0.178,600 -0.164,601 -0.035,602 -0.156,603 0.046,604 0.015,605 -0.012,606 0.003,607 -0.014,608 0.026,609 0.039,610 -0.039,611 0.045,612 -0.014,613 -0.003,614 -0.007,615 1.788,616 5.903,617 0.806,618 51.028,619 0.994,620 1.123,621 3.124,622 9.76,623 0.686,624 3.714,625 4.025,626 4.263,627 4.489,628 4.71,629 4.718,630 4.844,631 4.977,632 5.043,633 5.142,634 9.392,635 0.642,636 498.71,637 3.714,638 5.252,639 6.089,640 6.95,641 7.799,642 8.661,643 9.516,644 10.378,645 11.235,646 12.098,647 9.1,650 2,651 5}
{0 CHEMBL1908392,1 1.468,2 14.139,3 4.725,4 22.326,5 143.007,6 7.189,7 0.55,8 4.296,9 4.422,10 3.839,11 3.839,12 5.374,13 3.814,14 4.829,15 5.017,16 4.193,17 4.236,18 5.841,19 4.191,20 5.082,21 5.287,22 4.266,23 4.404,24 6.091,25 4.326,26 5.194,27 5.429,28 4.24,29 4.417,30 6.189,31 4.315,32 5.191,33 5.436,34 4.277,35 4.386,36 6.24,37 4.315,38 5.107,39 5.294,40 4.281,41 4.439,42 6.214,43 4.362,44 5.207,45 5.442,46 4.18,47 4.463,48 6.186,49 4.337,50 5.154,51 5.421,52 3.926,53 4.318,54 6.018,55 4.158,56 0.05,57 0.996,58 14.24,59 5.91,60 11.343,61 8.044,62 0.309,63 1.633,64 26.445,65 9.271,66 23.903,67 13.296,68 0.387,69 1.987,70 35.058,71 12.805,72 38.967,73 17.929,74 0.358,75 2.094,76 40.579,77 15.014,78 57.73,79 21.288,80 0.497,81 2.048,82 41.823,83 13.987,84 72.416,85 19.646,86 0.429,87 1.978,88 35.939,89 13.536,90 64.075,91 18.251,92 0.348,93 2.119,94 40.822,95 15.806,96 62.944,97 22.335,98 0.384,99 1.941,100 40.207,101 14.942,102 58.33,103 21.447,104 17,105 56,106 0.23,107 0.542,108 0.68,109 0.797,110 0.838,111 0.838,112 3.616,113 0.916,114 -4.14,115 -4.09,116 -3.87,118 43.3,123 2,124 5,137 13,138 3,139 2,147 1,148 1,149 1,150 1,162 13,164 1,165 6,168 1,169 4,170 14,173 3,174 7,178 3,180 12,184 5,186 2,188 5,190 10,193 1,194 7,198 6,201 17,203 2,204 3,208 8,210 20,212 1,213 2,218 6,220 19,222 1,223 5,229 12,232 7,234 2,238 3,241 2470,242 24.499,243 24.499,244 24.499,245 24.499,246 24.499,247 21.627,248 26.138,249 14.482,250 24.952,251 19.744,252 19.744,253 19.744,254 19.744,255 19.744,256 15.418,257 36.272,258 6.91,259 20.467,260 4.598,261 2.6,262 1.72,263 0.972,264 0.709,265 0.709,266 4.321,270 1,271 1121,272 3.937,274 90.437,275 513.421,278 169.554,282 2.179,283 27.518,286 1,287 0.83,288 1,289 0.8,290 0.5,291 1,292 1,293 0.88,294 76.5,295 509,296 4.707,297 3.757,298 6.985,299 4.271,300 3.294,301 4.626,302 1.989,303 11.89,304 3.219,305 4.238,306 3.412,307 6.342,308 3.919,309 2.962,310 3.835,311 0.835,312 9.444,313 2.832,314 4.139,315 2.936,316 6.132,317 3.722,318 2.746,319 3.642,320 0.8,321 8.965,322 2.683,323 3.821,324 2.898,325 5.49,326 3.546,327 2.61,328 3.167,329 0.6,330 7.348,331 2.458,332 3.605,333 2.71,334 5.401,335 3.371,336 2.4,337 3.006,338 0.543,339 6.867,340 2.306,341 3.553,342 2.444,343 5.322,344 3.11,345 2.14,346 2.712,348 6.439,349 2.079,350 3.347,351 2.365,352 5.01,353 3.045,354 2.109,355 2.537,357 5.9,358 1.977,359 3.205,360 2.27,361 4.795,362 2.777,363 1.822,364 2.432,366 5.119,367 1.724,368 3.016,369 1.915,370 4.77,371 2.698,372 1.732,373 2.213,375 4.998,376 1.659,377 2.96,378 1.566,379 4.279,380 2.5,381 1.51,382 1.984,384 3.765,385 1.492,386 2.83,387 1.396,388 3.612,389 2.339,390 1.354,391 1.982,392 2.934,393 1.329,394 2.564,395 1.327,396 3.548,397 2.019,398 1.04,399 1.524,400 2.583,401 1.015,402 2.5,403 1.146,404 3.526,405 2,406 1,407 1.5,408 2.275,409 1,410 2.5,411 1.117,412 3.414,413 2,414 1,415 1.5,416 2.275,417 1,418 2.064,419 1,420 3.414,421 1.967,422 1,423 1,424 2.136,425 0.965,426 17.167,427 0.477,428 0.853,429 0.024,430 48.25,431 1.34,432 24.5,433 0.681,434 23.75,435 0.66,436 30.662,437 0.852,438 38.033,439 0.568,440 40.849,441 1.135,442 9.805,443 0.272,444 7.686,445 0.213,446 0.097,448 0.332,452 0.878,453 1.391,454 0.825,455 1.08,456 0.734,457 0.966,458 0.94,459 1.047,460 0.906,461 0.863,462 0.574,463 0.858,464 1.059,465 1.034,466 1.051,467 1.027,468 0.964,469 1.03,470 0.91,471 1.088,472 0.935,473 1.062,474 0.993,475 1.013,476 1.435,477 0.779,478 0.875,479 0.728,480 1.506,481 0.729,482 1.401,483 1.029,484 1.141,485 1.047,486 1.583,487 1.068,488 0.829,489 1.04,490 1.031,491 1.092,492 0.783,493 1.09,494 0.866,495 0.931,496 1.045,497 1.013,498 0.914,499 1.048,500 6.5,501 0.231,502 4,503 2.729,504 2.178,505 1.427,506 0.791,507 0.415,508 0.41,509 0.335,510 20863,511 47913,512 2.12,513 46.3,515 29,518 2,523 1.774,524 2,525 3.681,526 0.121,531 98.357,532 1.468,533 3.466,534 4.346,535 5.094,536 5.357,537 5.357,538 3.155,539 4.649,540 5.14,541 3.925,542 2473.04,543 9.034,544 39940,549 406.428,550 1.352,551 5.109,552 0.162,553 0.007,554 0.071,555 0.047,556 0.04,557 0.024,558 0.013,559 0.008,560 0.011,561 0.01,562 0.394,563 0.33,564 0.75,565 0.496,566 197.391,567 -0.04,568 -0.214,569 0.056,570 -0.047,571 -0.066,572 0.003,573 0.009,574 0.109,575 0.035,576 0.104,577 0.043,578 0.082,579 -0.033,580 0.041,581 -0.092,582 -0.046,583 -0.017,584 -0.07,585 0.058,586 -0.104,587 0.044,588 -0.069,589 0.063,590 -0.024,591 -0.106,592 0.207,593 0.151,594 0.232,595 -0.03,596 0.229,597 -0.143,598 0.014,599 -0.174,600 -0.045,601 -0.145,602 -0.105,603 -0.012,604 -0.063,605 -0.073,606 -0.079,607 0.012,608 -0.083,609 -0.053,610 0.006,611 -0.062,612 -0.016,613 -0.096,614 -0.038,615 1.593,616 5.87,617 0.75,618 40.701,619 0.995,620 1.124,621 2.914,622 8.489,623 0.669,624 3.714,625 4.043,626 4.331,627 4.605,628 4.852,629 4.89,630 5.043,631 5.17,632 5.236,633 5.303,634 8.169,635 0.633,636 481.65,637 3.714,638 5.263,639 6.12,640 7.002,641 7.879,642 8.768,643 9.653,644 10.546,645 11.437,646 12.333,647 7.5,650 2,651 5}
{0 CHEMBL1908393,1 1.667,2 20.217,3 3.792,4 14.379,5 168.034,6 7.741,7 0.333,8 4.52,9 4.625,10 4.112,11 4.011,12 5.635,13 4.019,14 5.08,15 5.239,16 4.456,17 4.378,18 6.203,19 4.372,20 5.337,21 5.525,22 4.583,23 4.5,24 6.516,25 4.488,26 5.359,27 5.562,28 4.48,29 4.493,30 6.572,31 4.447,32 5.34,33 5.554,34 4.478,35 4.514,36 6.429,37 4.459,38 5.335,39 5.522,40 4.52,41 4.524,42 6.537,43 4.482,44 5.379,45 5.593,46 4.468,47 4.472,48 6.584,49 4.422,50 5.262,51 5.485,52 4.382,53 4.361,54 6.46,55 4.315,56 0.166,57 1.298,58 15.93,59 7.845,60 19.124,61 9.393,62 0.692,63 2.065,64 32.94,65 12.666,66 64.573,67 15.58,68 1.234,69 2.512,70 46.336,71 15.613,72 111.312,73 19.578,74 1.411,75 2.441,76 48.588,77 16.33,78 155.365,79 20.867,80 1.157,81 2.373,82 48.211,83 17.455,84 115.804,85 22.674,86 1.093,87 2.488,88 45.714,89 17.118,90 133.185,91 21.413,92 1.484,93 2.589,94 50.732,95 16.613,96 165.059,97 21.527,98 1.227,99 2.366,100 45.289,101 15.112,102 150.791,103 19.548,104 27,105 72,106 0.251,107 0.603,108 0.802,109 0.876,110 0.879,111 0.879,112 3.853,113 0.904,114 -3.05,115 -3.05,116 -2.93,118 41.5,120 4,122 1,123 1,124 6,126 1,132 3,134 1,137 6,138 1,139 6,140 1,141 1,150 2,162 7,165 12,167 2,169 6,170 5,173 2,174 11,178 7,180 5,183 4,184 6,186 2,187 1,190 8,193 2,194 6,196 1,201 17,203 1,204 8,208 4,210 10,212 3,213 8,218 5,220 2,222 1,223 7,227 1,229 5,231 1,232 5,234 2,236 1,238 8,241 5294,242 31.349,243 31.349,244 31.349,245 31.349,246 31.349,247 28.666,248 42.521,249 18.361,250 32.28,251 25.074,252 25.074,253 25.074,254 25.074,255 25.074,256 20.775,257 55.757,258 8.624,259 26.493,260 4.69,261 2.354,262 1.034,263 0.546,264 0.521,265 0.521,266 4.557,270 1,271 2039,272 4.743,273 97.418,275 820.877,279 247.167,282 3.28,283 71.18,286 0.75,287 0.33,288 0.67,289 0.9,290 1,291 0.67,292 0.5,293 0.69,294 103,295 930,296 4.765,297 4.332,298 7.978,299 4.682,300 3.677,301 4.513,302 2.166,303 15.051,304 3.692,305 4.577,306 3.406,307 6.59,308 4.103,309 3.14,310 3.952,311 1.722,312 10.546,313 3.025,314 4.245,315 3.365,316 6.116,317 3.817,318 2.874,319 3.864,320 1.013,321 8.963,322 2.705,323 3.982,324 3.227,325 6.003,326 3.591,327 2.634,328 3.488,329 0.86,330 8.521,331 2.529,332 3.963,333 3.11,334 5.567,335 3.565,336 2.618,337 3.267,338 0.86,339 7.375,340 2.452,341 3.605,342 2.927,343 5.387,344 3.435,345 2.519,346 2.926,347 0.86,348 6.965,349 2.305,350 3.521,351 2.883,352 5.34,353 3.248,354 2.299,355 2.757,356 0.86,357 6.956,358 2.17,359 3.409,360 2.606,361 5.181,362 3.073,363 2.134,364 2.522,365 0.8,366 6.095,367 1.989,368 3.3,369 2.406,370 5.063,371 2.932,372 1.989,373 2.393,374 0.215,375 5.845,376 1.867,377 3.101,378 2.35,379 4.848,380 2.685,381 1.751,382 2.241,383 0.109,384 4.758,385 1.664,386 3.025,387 2.313,388 4.569,389 2.645,390 1.642,391 2.144,392 4.565,393 1.587,394 2.834,395 2.232,396 4.535,397 2.48,398 1.553,399 1.966,400 3.9,401 1.453,402 2.786,403 2.156,404 4.146,405 2.451,406 1.431,407 1.805,408 3.633,409 1.435,410 2.746,411 1.808,412 3.928,413 2.366,414 1.417,415 1.734,416 3.371,417 1.33,418 2.581,419 1.501,420 3.7,421 2.285,422 1.386,423 1.587,424 3.127,425 1.232,426 21.171,427 0.46,428 1.089,429 0.024,430 54.75,431 1.19,432 24,433 0.522,434 30.75,435 0.668,436 46.072,437 1.002,438 51.429,439 0.627,440 51.461,441 1.119,442 10.944,443 0.238,444 11.396,445 0.248,446 0.082,447 0.024,448 0.302,449 1,451 1,452 0.714,453 1.192,454 0.719,455 1.181,456 0.549,457 0.995,458 0.996,459 1.092,460 0.902,461 1.042,462 0.696,463 0.963,464 1.116,465 1.072,466 0.971,467 1,468 1.01,469 0.948,470 1.028,471 0.842,472 1.059,473 0.958,474 1.04,475 1.004,476 0.853,477 0.804,478 0.834,479 0.894,480 0.885,481 0.874,482 0.983,483 1.11,484 0.982,485 1.127,486 0.916,487 1.077,488 1.027,489 1.04,490 1.021,491 0.983,492 0.994,493 0.998,494 0.994,495 1.073,496 0.953,497 1.007,498 1.061,499 0.97,500 10,501 0.396,502 5,503 3.201,504 2.874,505 1.626,506 1.044,507 0.959,508 0.6,509 0.345,510 46200,511 129162,512 2.112,513 43.9,514 4,515 25,517 1,518 2,520 2,521 2,523 1.829,524 1.993,525 4.232,526 0.127,531 136.718,532 1.667,533 4.003,534 5.323,535 5.812,536 5.836,537 5.836,538 3.754,539 4.942,540 5.488,541 4.441,542 4596.73,543 9.714,544 94747.1,549 521.319,550 1.434,551 5.459,552 0.196,553 0.007,554 0.072,555 0.043,556 0.044,557 0.024,558 0.015,559 0.015,560 0.01,561 0.006,562 0.432,563 0.33,564 0.5,565 0.588,566 277.171,567 -0.044,568 -0.128,569 0.054,570 -0.078,571 -0.027,572 -0.001,573 -0.088,574 -0.08,575 -0.007,576 -0.023,577 -0.006,578 0.001,579 -0.057,580 -0.054,581 -0.001,582 -0.021,583 -0.033,584 0.005,585 -0.019,586 0.095,587 -0.083,588 0.01,589 0.009,590 -0.042,591 0.027,592 0.071,593 0.13,594 0.115,595 -0.009,596 0.142,597 -0.024,598 -0.144,599 -0.035,600 -0.104,601 0.03,602 -0.082,603 0.01,604 -0.055,605 -0.022,606 -0.012,607 0.029,608 -0.026,609 0.037,610 0.001,611 0.052,612 -0.023,613 0.03,614 0.013,615 2.507,616 7.243,617 0.674,618 81.323,619 1.017,620 1.134,621 1.816,622 3.297,623 0.653,624 3.951,625 4.29,626 4.554,627 4.771,628 4.984,629 5.05,630 5.159,631 5.318,632 5.451,633 5.472,634 11.185,635 0.635,636 634.74,637 3.951,638 5.509,639 6.372,640 7.256,641 8.137,642 9.029,643 9.92,644 10.817,645 11.714,646 12.617,647 4.9,650 1,651 5}
{0 CHEMBL1908394,1 1.781,2 14,3 5.126,4 26.275,5 142.371,6 8.237,7 0.5,8 4.305,9 4.42,10 3.979,11 3.839,12 5.432,13 3.824,14 4.882,15 5.053,16 4.445,17 4.25,18 6.339,19 4.225,20 5.081,21 5.26,22 4.476,23 4.406,24 6.175,25 4.345,26 5.233,27 5.449,28 4.486,29 4.459,30 6.363,31 4.371,32 5.253,33 5.486,34 4.449,35 4.41,36 6.462,37 4.328,38 5.122,39 5.328,40 4.368,41 4.368,42 6.288,43 4.284,44 5.089,45 5.295,46 4.428,47 4.346,48 6.281,49 4.281,50 5.093,51 5.291,52 4.487,53 4.302,54 6.332,55 4.253,56 0.146,57 1.213,58 12.176,59 6.276,60 25.48,61 7.263,62 1.048,63 2.299,64 27.961,65 10.371,66 153.195,67 12.329,68 0.631,69 2.227,70 36.147,71 13.907,72 55.298,73 16.555,74 0.855,75 2.571,76 45.904,77 17.185,78 97.719,79 20.983,80 1.474,81 2.549,82 49.52,83 16.836,84 147.462,85 19.783,86 0.948,87 2.313,88 42.715,89 15.232,90 117.928,91 17.04,92 0.727,93 2.187,94 40.393,95 13.693,96 80.509,97 16.586,98 0.783,99 2.434,100 41.697,101 13.851,102 82.239,103 15.347,104 54,105 62,106 0.281,107 0.61,108 0.759,109 0.821,110 0.856,111 0.861,112 3.668,113 0.932,114 -4.6,115 -4.52,116 -4.25,118 40.9,119 1,123 1,124 5,126 1,130 1,137 8,138 3,139 1,141 1,147 2,148 1,150 1,152 1,155 1,156 1,157 1,162 9,164 1,165 8,166 1,167 1,170 10,173 1,174 10,178 1,180 6,182 1,183 2,184 8,185 1,186 1,188 1,190 6,191 1,193 2,194 2,195 1,196 1,201 9,203 2,204 7,208 2,210 6,211 2,212 1,213 10,215 1,216 1,218 3,220 3,221 3,222 1,223 9,227 4,229 3,230 4,231 2,232 5,236 2,238 6,240 2,241 2898,242 25.004,243 25.004,244 25.004,245 25.004,246 25.004,247 22.511,248 33.041,249 14.351,250 25.903,251 20.743,252 20.743,253 20.743,254 20.743,255 20.743,256 16.823,257 41.717,258 6.836,259 22.329,260 4.263,261 2.175,262 1.228,263 0.834,264 0.61,265 0.58,266 4.366,270 1,271 1148,272 4.416,274 194.633,275 371.666,278 164.75,282 2.316,283 56.813,286 0.75,287 0.83,288 0.83,289 0.7,290 0.5,291 0.83,292 1,293 0.78,294 85,295 532,296 4.641,297 4.473,298 7.279,299 4.289,300 3.398,301 4.57,302 3.825,303 12.394,304 3.083,305 4.564,306 3.584,307 6.752,308 4.148,309 3.222,310 4.074,311 1.151,312 11.077,313 3.001,314 4.366,315 3.267,316 6.444,317 3.923,318 2.981,319 4.014,320 0.98,321 9.953,322 2.789,323 3.838,324 3.225,325 6.05,326 3.607,327 2.677,328 3.216,329 0.916,330 8.522,331 2.496,332 3.782,333 3.022,334 5.72,335 3.539,336 2.63,337 2.938,338 0.8,339 7.828,340 2.321,341 3.633,342 2.775,343 5.539,344 3.337,345 2.388,346 2.921,347 0.172,348 7.312,349 2.254,350 3.462,351 2.627,352 5.128,353 3.146,354 2.198,355 2.547,357 6.312,358 2.077,359 3.294,360 2.37,361 4.984,362 2.9,363 1.96,364 2.495,366 5.529,367 1.819,368 3.084,369 2.151,370 4.799,371 2.821,372 1.894,373 2.288,375 5.413,376 1.746,377 3.007,378 1.983,379 4.636,380 2.657,381 1.68,382 2.051,384 4.546,385 1.63,386 2.875,387 1.499,388 4.485,389 2.366,390 1.424,391 2.006,392 4.055,393 1.331,394 2.607,395 1.349,396 3.975,397 2.134,398 1.18,399 1.65,400 3.021,401 1.106,402 2.583,403 1.314,404 3.794,405 2.061,406 1.131,407 1.617,408 2.833,409 1.043,410 2.384,411 1.146,412 3.585,413 1.967,414 1,415 1.313,416 2.461,417 0.965,418 2.256,419 1.109,420 3.529,421 1.941,422 0.985,423 1.128,424 2.275,425 0.933,426 17.857,427 0.47,428 1.248,429 0.033,430 45.5,431 1.197,432 20,433 0.526,434 25.5,435 0.671,436 38.98,437 1.026,438 42.143,439 0.639,440 41.255,441 1.086,442 9.07,443 0.239,444 9.027,445 0.238,446 0.145,447 0.028,448 0.347,450 3,452 0.645,453 1.117,454 0.69,455 1.031,456 0.599,457 0.946,458 0.627,459 0.744,460 0.742,461 0.8,462 0.348,463 0.791,464 0.77,465 0.936,466 0.928,467 1.116,468 0.563,469 1.062,470 0.724,471 1.043,472 0.924,473 1.13,474 0.677,475 1.052,476 0.993,477 0.888,478 0.968,479 0.85,480 0.963,481 0.877,482 1.134,483 0.996,484 1.215,485 1.072,486 1.136,487 1.034,488 0.789,489 0.914,490 1.018,491 1.049,492 0.751,493 0.934,494 1.024,495 1.203,496 1.046,497 1.221,498 1.051,499 1.067,500 9.5,501 0.344,502 4.889,503 3.326,504 2.541,505 1.379,506 1.061,507 0.966,508 0.688,509 0.423,510 22818,511 68915,512 2.059,513 42.4,515 22,517 1,518 2,520 3,523 1.789,524 1.892,525 3.737,526 0.201,531 117.578,532 1.781,533 3.87,534 4.817,535 5.211,536 5.434,537 5.465,538 3.249,539 4.86,540 5.218,541 3.944,542 2772.43,543 9.202,544 45852.4,549 398.93,550 1.636,551 5.156,552 0.226,553 0.008,554 0.079,555 0.054,556 0.041,557 0.023,558 0.019,559 0.016,560 0.012,561 0.009,562 0.487,563 0.17,564 0.75,565 0.811,566 210.842,567 -0.048,568 -0.132,569 0.053,570 -0.025,571 -0.086,572 0.006,573 0.257,574 0.285,575 0.153,576 0.179,577 0.405,578 0.141,579 -0.05,580 -0.086,581 0.001,582 -0.093,583 0.006,584 -0.074,585 0.067,586 -0.15,587 0.072,588 -0.091,589 0.054,590 -0.023,591 0.062,592 0.101,593 0.062,594 0.152,595 0.009,596 0.119,597 -0.147,598 0.034,599 -0.139,600 0.008,601 -0.137,602 -0.038,603 -0.043,604 -0.083,605 0.029,606 -0.008,607 0.005,608 0.055,609 -0.082,610 -0.212,611 0.026,612 -0.173,613 -0.084,614 -0.104,615 5.78,616 5.548,617 0.684,618 45.186,619 1.019,620 1.14,621 3.366,622 11.329,623 0.671,624 3.761,625 4.143,626 4.407,627 4.7,628 4.92,629 5.017,630 5.198,631 5.38,632 5.529,633 5.642,634 8.21,635 0.647,636 543.67,637 3.761,638 5.342,639 6.205,640 7.111,641 7.993,642 8.9,643 9.792,644 10.7,645 11.597,646 12.506,647 7.6,650 2,651 5}
{0 CHEMBL1908395,1 1.503,2 13.5,3 3.328,4 11.073,5 132.718,6 6.979,7 0.297,8 4.265,9 4.401,10 3.774,11 3.783,12 5.32,13 3.752,14 4.844,15 5.048,16 4.12,17 4.201,18 5.813,19 4.138,20 5.129,21 5.356,22 4.19,23 4.389,24 6.129,25 4.279,26 5.226,27 5.479,28 4.177,29 4.391,30 6.2,31 4.275,32 5.188,33 5.43,34 4.146,35 4.364,36 6.187,37 4.261,38 5.159,39 5.396,40 4.153,41 4.392,42 6.14,43 4.276,44 5.238,45 5.501,46 4.101,47 4.409,48 6.093,49 4.27,50 5.236,51 5.509,52 4.051,53 4.347,54 6.12,55 4.207,56 0.035,57 1.005,58 14.504,59 5.794,60 10.727,61 8.282,62 0.316,63 1.619,64 27.893,65 9.817,66 25.899,67 14.536,68 0.511,69 1.97,70 38.107,71 14.189,72 61.819,73 20.389,74 0.358,75 2.026,76 42.966,77 15.222,78 66.898,79 22.212,80 0.49,81 1.968,82 41.722,83 13.786,84 85.309,85 20.083,86 0.372,87 2.01,88 39.397,89 14.14,90 71.509,91 20.777,92 0.343,93 2.071,94 43.402,95 15.464,96 58.696,97 22.954,98 0.434,99 1.991,100 44.144,101 15.101,102 72.165,103 22.404,104 32,105 51,106 0.238,107 0.596,108 0.789,109 0.834,110 0.843,111 0.843,112 3.561,113 0.971,114 -3.56,115 -3.54,116 -3.37,118 39.4,120 6,121 1,123 2,124 3,132 1,133 1,137 3,138 2,139 1,141 1,146 1,150 3,153 1,162 14,164 1,165 2,167 2,169 2,170 18,173 4,174 1,176 2,177 1,178 3,180 17,184 5,186 1,188 3,190 13,194 10,198 5,201 11,203 1,204 10,206 1,208 6,210 10,213 10,218 3,220 6,223 14,225 1,227 3,229 2,232 11,236 3,241 2378,242 22.955,243 22.955,244 22.955,245 22.955,246 22.955,247 21.126,248 30.676,249 13.561,250 23.298,251 18.202,252 18.202,253 18.202,254 18.202,255 18.202,256 15.135,257 33.548,258 6.375,259 18.738,260 4.541,261 2.28,262 1.065,263 0.78,264 0.72,265 0.72,266 4.253,270 1,271 976,272 4,274 110.516,275 361.297,282 2.176,283 33.048,286 1,287 0.83,288 1,289 1,290 0.5,291 1,292 1,293 0.9,294 73,295 459,296 4.442,297 4.059,298 6.555,299 4.093,300 3.103,301 4.07,302 2.035,303 10.408,304 3.073,305 4.263,306 3.737,307 6.14,308 3.856,309 2.888,310 3.881,311 1.989,312 9.02,313 2.797,314 4.009,315 3.581,316 6.076,317 3.799,318 2.834,319 3.231,320 1.058,321 8.807,322 2.732,323 3.869,324 3.199,325 5.988,326 3.628,327 2.64,328 3.101,329 0.835,330 8.479,331 2.596,332 3.782,333 2.947,334 5.315,335 3.309,336 2.331,337 3.008,338 0.543,339 6.723,340 2.271,341 3.504,342 2.54,343 5.144,344 3.113,345 2.146,346 2.706,348 6.088,349 2.095,350 3.154,351 2.514,352 4.754,353 3.013,354 2.076,355 2.16,357 5.341,358 1.924,359 3.094,360 2.393,361 4.438,362 2.579,363 1.592,364 1.903,366 4.362,367 1.565,368 2.821,369 2.238,370 4.157,371 2.544,372 1.55,373 1.825,375 3.658,376 1.539,377 2.751,378 1.685,379 3.894,380 2.188,381 1.212,382 1.733,384 3.038,385 1.17,386 2.479,387 1.656,388 3.801,389 2.068,390 1.075,391 1.29,392 2.816,393 1.057,394 2.365,395 1.462,396 3.479,397 2,398 1,399 1.264,400 2.474,401 1,402 2.343,403 1.293,404 3.414,405 2,406 1,407 1.033,408 2.275,409 1,410 2.161,411 1.077,412 3.273,413 1.984,414 1,415 1.007,416 2.136,417 0.983,418 2.052,419 1.056,420 3.247,421 1.608,422 0.682,423 1,424 1.665,425 0.629,426 16.067,427 0.473,428 0.818,429 0.024,430 40.25,431 1.184,432 18,433 0.529,434 22.25,435 0.654,436 34.026,437 1.001,438 37.333,439 0.566,440 32.335,441 0.951,442 7.5,443 0.221,444 8.94,445 0.263,446 0.129,448 0.33,452 0.737,453 1.47,454 0.845,455 1.185,456 0.485,457 1.048,458 0.754,459 1.065,460 0.905,461 0.973,462 0.45,463 0.95,464 0.685,465 0.972,466 0.988,467 1.099,468 0.697,469 1.093,470 0.918,471 1.033,472 0.895,473 1.046,474 0.942,475 0.987,476 1.375,477 0.945,478 1.05,479 0.93,480 1.293,481 0.952,482 0.818,483 1.08,484 1.022,485 1.118,486 0.611,487 1.101,488 0.777,489 1.02,490 0.96,491 1.062,492 0.67,493 1.04,494 0.936,495 0.966,496 0.94,497 0.992,498 0.909,499 0.977,500 7,501 0.205,502 4,503 1.972,504 1.722,505 1.354,506 0.843,507 0.446,508 0.441,509 0.346,510 16678,511 41855,512 2.059,513 48.5,514 9,515 16,516 1,518 2,520 4,523 1.762,524 1.925,525 3.695,526 0.177,531 99.209,532 1.503,533 3.765,534 4.98,535 5.264,536 5.325,537 5.325,538 3.257,539 4.558,540 5.051,541 3.878,542 2175.75,543 8.878,544 33647.9,549 398.93,550 1.419,551 5.016,552 0.189,553 0.006,554 0.078,555 0.038,556 0.034,557 0.027,558 0.017,559 0.009,560 0.01,561 0.009,562 0.417,563 0.33,564 0.88,565 1.096,566 182.986,567 -0.027,568 -0.21,569 0.052,570 -0.06,571 0.031,572 -0.004,573 0.073,574 0.081,575 0.04,576 0.062,577 0.077,578 0.051,579 0.173,580 0.065,581 -0.036,582 -0.058,583 0.078,584 -0.077,585 0.017,586 -0.082,587 0.079,588 -0.026,589 0.018,590 0.026,591 -0.184,592 0.035,593 -0.052,594 0.067,595 -0.113,596 0.031,598 -0.056,599 -0.07,600 -0.088,601 0.093,602 -0.088,603 -0.022,604 -0.059,605 -0.003,606 -0.042,607 -0.001,608 -0.021,609 -0.02,610 -0.043,611 0.041,612 0.005,613 -0.023,614 0.026,615 2.028,616 5.767,617 0.676,618 42.291,619 0.996,620 1.133,621 2.332,622 5.438,623 0.649,624 3.638,625 3.951,626 4.205,627 4.443,628 4.654,629 4.754,630 4.898,631 5.037,632 5.187,633 5.298,634 7.819,635 0.612,636 460.64,637 3.638,638 5.176,639 6.019,640 6.889,641 7.75,642 8.625,643 9.494,644 10.373,645 11.247,646 12.127,647 9.1,650 1,651 5}
{0 CHEMBL1908396,1 1.725,2 13.882,3 3.467,4 12.019,5 127.926,6 8.286,7 0.595,8 4.179,9 4.273,10 3.865,11 3.695,12 5.365,13 3.691,14 4.676,15 4.82,16 4.21,17 4.029,18 5.836,19 4.019,20 4.81,21 4.952,22 4.267,23 4.128,24 5.969,25 4.117,26 4.908,27 5.054,28 4.256,29 4.189,30 6.087,31 4.155,32 5.014,33 5.2,34 4.236,35 4.199,36 6.198,37 4.144,38 4.963,39 5.171,40 4.112,41 4.147,42 6.037,43 4.08,44 4.901,45 5.101,46 4.059,47 4.096,48 5.988,49 4.024,50 4.825,51 5.018,52 4.052,53 4.041,54 5.849,55 3.962,56 0.12,57 0.839,58 10.643,59 5.373,60 9.758,61 5.983,62 0.542,63 1.287,64 23.313,65 8.563,66 38.93,67 9.636,68 0.646,69 1.464,70 26.135,71 9.446,72 43.65,73 10.616,74 0.671,75 1.578,76 29.749,77 11.1,78 45.753,79 12.502,80 1.021,81 1.662,82 33.575,83 11.797,84 80.173,85 14.557,86 0.681,87 1.573,88 32.873,89 11.964,90 57.179,91 15.044,92 0.762,93 1.482,94 30.187,95 10.886,96 69.801,97 13.307,98 0.632,99 1.381,100 29.803,101 10.812,102 44.617,103 12.91,104 35,105 51,106 0.279,107 0.614,108 0.773,109 0.835,110 0.848,111 0.877,112 3.56,113 0.911,114 -1.72,115 -1.79,116 -1.81,118 41.4,119 1,123 3,126 1,137 6,138 1,139 6,140 2,141 1,146 1,151 1,153 1,162 2,165 11,167 2,168 1,169 2,170 3,173 1,174 8,176 2,178 3,180 4,183 3,184 5,188 2,190 5,193 4,194 4,196 3,198 3,201 4,203 1,204 5,210 4,212 1,213 6,216 1,218 2,220 4,222 2,223 7,227 1,229 2,231 1,232 4,234 1,236 3,241 2118,242 23.281,243 23.281,244 23.281,245 23.281,246 23.281,247 20.546,248 29.158,249 13.636,250 24.349,251 18.084,252 18.084,253 18.084,254 18.084,255 18.084,256 13.753,257 39.065,258 6.209,259 19.529,260 4.133,261 2.056,262 1.074,263 0.69,264 0.608,265 0.431,266 4.254,270 1,271 1012,272 4.062,274 111.91,275 315.11,279 169.572,282 2.256,283 34.222,286 1,287 0.67,288 1,289 0.6,291 1,292 1,293 0.75,294 75,295 472,296 4.575,297 3.585,298 6.585,299 4.099,300 3.135,301 4.513,302 1.659,303 10.529,304 3.023,305 4.283,306 3.329,307 6.197,308 3.886,309 2.933,310 3.921,311 0.86,312 9.273,313 2.789,314 4.08,315 3.15,316 6.044,317 3.726,318 2.81,319 3.575,320 0.86,321 8.662,322 2.571,323 3.991,324 3.027,325 6.037,326 3.582,327 2.652,328 3.493,329 0.86,330 8.625,331 2.457,332 3.678,333 2.961,334 5.4,335 3.277,336 2.335,337 2.994,338 0.86,339 7.015,340 2.184,341 3.509,342 2.549,343 5.092,344 3.085,345 2.15,346 2.798,347 0.564,348 6.11,349 1.993,350 3.327,351 2.228,352 4.97,353 2.859,354 1.908,355 2.63,356 0.133,357 5.701,358 1.809,359 2.999,360 1.967,361 4.488,362 2.581,363 1.663,364 2.22,366 4.379,367 1.511,368 2.956,369 1.932,370 4.354,371 2.532,372 1.588,373 2.073,375 4.164,376 1.495,377 2.854,378 1.827,379 4.074,380 2.425,381 1.464,382 1.959,384 3.582,385 1.392,386 2.692,387 1.471,388 3.886,389 2.256,390 1.347,391 1.751,392 3.079,393 1.214,394 2.123,395 1.014,396 3.263,397 1.684,398 0.772,399 1.005,400 1.833,401 0.692,402 2.118,403 1,404 3.2,405 1.569,406 0.67,407 0.927,408 1.446,409 0.595,410 1.909,411 0.959,412 3,413 1.444,414 0.618,415 0.804,416 1.372,417 0.486,418 1.771,419 0.94,420 2.977,421 1.415,422 0.542,423 0.639,424 1.01,425 0.481,426 16.1,427 0.474,428 0.742,429 0.022,430 46.75,431 1.375,432 24,433 0.706,434 22.75,435 0.669,436 28.055,437 0.825,438 36.7,439 0.633,440 38.204,441 1.124,442 9.515,443 0.28,444 7.001,445 0.206,446 0.145,448 0.342,452 0.889,453 1.317,454 0.716,455 1.061,456 0.703,457 0.93,458 1.188,459 0.982,460 0.848,461 0.845,462 0.783,463 0.747,464 1.216,465 1.052,466 0.999,467 0.989,468 1.11,469 0.924,470 1.146,471 1.216,472 1.165,473 1.213,474 1.102,475 1.135,476 0.994,477 0.925,478 0.891,479 0.934,480 1.316,481 1.037,482 0.962,483 0.997,484 0.833,485 0.92,486 1.075,487 0.962,488 1.112,489 0.892,490 0.919,491 0.848,492 1.257,493 0.978,494 1.043,495 1.013,496 0.97,497 1.013,498 0.692,499 1.022,500 7,501 0.227,502 3.778,503 2.153,504 2.441,505 1.052,506 0.879,507 0.572,508 0.365,509 0.298,510 17564,511 54100,512 2.059,513 41.4,515 16,516 1,517 2,518 2,520 3,523 1.758,524 1.925,525 3.74,526 0.235,528 1,531 100.075,532 1.725,533 3.802,534 4.784,535 5.168,536 5.25,537 5.427,538 3.282,539 4.676,540 5.058,541 3.941,542 2211.08,543 8.859,544 34684.5,549 339.763,550 1.419,551 5.016,552 0.189,553 0.008,554 0.074,555 0.04,556 0.046,557 0.021,558 0.019,559 0.014,560 0.009,561 0.008,562 0.429,563 0.33,564 0.88,565 0.865,566 184.239,567 -0.076,568 -0.185,569 0.065,570 -0.071,571 -0.078,572 -0.016,573 -0.08,574 0.08,575 0.102,576 0.15,577 0.039,578 0.176,579 -0.094,580 0.023,581 -0.087,582 -0.028,583 -0.113,584 -0.021,585 -0.065,586 -0.17,587 -0.221,588 -0.221,589 -0.061,590 -0.207,591 0.097,592 0.043,593 -0.037,594 -0.041,595 0.021,596 -0.091,597 -0.025,598 -0.062,599 0.037,600 -0.005,601 -0.001,602 0.031,603 -0.085,604 0.065,605 -0.046,606 0.058,607 -0.113,608 -0.012,609 -0.049,610 -0.057,611 0.005,612 -0.02,613 -0.018,614 -0.028,615 2.032,616 5.46,617 0.618,618 39.27,619 1.016,620 1.123,621 0.49,622 0.24,623 0.682,624 3.638,625 3.951,626 4.234,627 4.489,628 4.682,629 4.762,630 4.868,631 4.977,632 5.088,633 5.136,634 8.16,635 0.657,636 480.59,637 3.638,638 5.176,639 6.028,640 6.905,641 7.773,642 8.653,643 9.527,644 10.408,645 11.285,646 12.168,647 6.9,651 5}
{0 CHEMBL1908397,1 1.472,2 11.68,3 2.724,4 7.42,5 100.285,6 7.388,7 0.571,8 3.911,9 4.039,10 3.483,11 3.483,12 4.988,13 3.457,14 4.433,15 4.608,16 3.812,17 3.874,18 5.459,19 3.825,20 4.685,21 4.91,22 3.823,23 3.981,24 5.672,25 3.893,26 4.685,27 4.917,28 3.663,29 3.874,30 5.729,31 3.773,32 4.528,33 4.765,34 3.498,35 3.747,36 5.542,37 3.635,38 4.405,39 4.635,40 3.443,41 3.711,42 5.33,43 3.589,44 4.418,45 4.68,46 3.334,47 3.628,48 5.309,49 3.496,50 4.195,51 4.446,52 3.138,53 3.439,54 5.085,55 3.309,56 0.056,57 0.685,58 9.145,59 3.907,60 6.95,61 5.242,62 0.163,63 1.109,64 16.808,65 6.318,66 14.143,67 8.8,68 0.19,69 1.317,70 23.453,71 8.784,72 25.75,73 12.338,74 0.264,75 1.236,76 24.534,77 8.639,78 46.309,79 11.83,80 0.283,81 1.045,82 21.099,83 7.671,84 42.677,85 10.556,86 0.095,87 0.972,88 17.651,89 7.21,90 22.002,91 10.165,92 0.154,93 0.962,94 18.868,95 6.932,96 25.382,97 10.013,98 0.117,99 0.767,100 14.848,101 5.646,102 18.257,103 8.044,104 2,105 38,106 0.251,107 0.576,108 0.695,109 0.809,110 0.831,111 0.831,112 3.266,113 0.913,114 -3.62,115 -3.59,116 -3.42,118 44.4,124 4,132 2,137 8,138 3,141 1,147 1,150 1,160 1,162 12,164 1,165 4,169 2,170 14,174 7,176 1,178 3,180 11,184 6,188 3,190 7,194 3,196 1,198 3,201 7,204 4,208 4,210 7,213 4,218 3,220 8,223 1,227 1,229 7,232 2,234 2,236 1,238 4,241 873,242 17.413,243 17.413,244 17.413,245 17.413,246 17.413,247 15.36,248 10.372,249 10.451,250 17.65,251 13.826,252 13.826,253 13.826,254 13.826,255 13.826,256 10.67,257 13.198,258 4.96,259 14.164,260 4.019,261 2.116,262 1.422,263 0.756,264 0.622,265 0.622,266 3.97,268 1,269 1,270 1,271 649,272 2.828,274 58.768,275 241.746,278 109.851,282 1.904,283 16.341,285 1,286 1,287 1,288 1,289 0.8,290 0.5,291 1,292 1,293 0.9,294 53,295 292,296 4.533,297 3.693,298 6.526,299 4.045,300 3.063,301 4.486,302 1.2,303 10.265,304 3.005,305 4.264,306 3.063,307 6.391,308 3.957,309 2.973,310 3.811,311 0.4,312 9.667,313 2.926,314 3.864,315 2.578,316 5.42,317 3.499,318 2.514,319 3.237,320 0.293,321 7.116,322 2.476,323 3.467,324 2.419,325 5.171,326 3.108,327 2.139,328 2.815,330 6.188,331 2.064,332 3.281,333 2.034,334 5.073,335 2.949,336 1.972,337 2.43,339 5.877,340 1.923,341 3.046,342 1.838,343 4.186,344 2.528,345 1.546,346 2.318,348 3.765,349 1.516,350 2.775,351 1.667,352 3.899,353 2.45,354 1.497,355 1.81,357 3.319,358 1.423,359 2.66,360 1.546,361 3.593,362 2.197,363 1.205,364 1.671,366 2.815,367 1.194,368 2.5,369 1.203,370 3.414,371 2,372 1,373 1.5,375 2.275,376 1,377 2.405,378 1.146,379 3.377,380 1.967,381 1,382 1.25,384 2.136,385 0.965,386 2.112,387 1,388 3.247,389 1.868,390 0.878,391 1,392 2.07,393 0.863,394 2,395 0.809,396 3.232,397 1.716,398 0.709,399 0.944,400 1.681,401 0.709,402 1.958,403 0.435,404 2.97,405 1.38,406 0.386,407 0.595,408 0.917,409 0.383,410 1.027,411 -0.101,412 2.373,413 0.626,414 -0.379,415 -0.488,416 -0.904,417 -0.378,418 0.7,419 -0.405,420 2.104,421 0.247,422 -0.745,423 -0.814,424 -1.61,425 -0.734,426 11.933,427 0.477,428 0.448,429 0.018,430 33,431 1.32,432 17,433 0.68,434 16,435 0.64,436 17.41,437 0.696,438 25.867,439 0.575,440 22.991,441 0.92,442 6.78,443 0.271,444 5.53,445 0.221,446 0.028,448 0.285,452 0.734,453 1.155,454 0.787,455 0.975,456 0.562,457 0.897,458 0.922,459 1.128,460 0.961,461 0.983,462 0.639,463 0.965,464 0.925,465 0.999,466 0.955,467 1.013,468 0.777,469 0.986,470 1.561,471 1.006,472 1.127,473 1.021,474 1.881,475 1.032,476 1.349,477 0.855,478 1.065,479 0.91,480 1.781,481 0.961,482 0.638,483 1.112,484 0.969,485 1.138,486 0.634,487 1.105,488 0.81,489 0.936,490 0.956,491 0.954,492 0.671,493 0.966,494 0.821,495 0.942,496 0.989,497 1.002,498 0.821,499 1.013,500 3.5,501 0.115,502 2.889,503 1.479,504 0.796,505 0.486,506 0.372,507 0.205,508 0.108,509 0.128,510 8527,511 20263,512 2.179,513 44.4,515 18,518 2,523 1.672,524 2.113,525 3.504,526 0.233,527 1,528 1,531 66.256,532 1.472,533 3.376,534 4.07,535 4.736,536 4.87,537 4.87,538 2.919,539 4.214,540 4.618,541 3.671,542 1101.36,543 7.942,544 13891,546 1,548 1,549 247.133,550 1.078,551 4.606,552 0.125,553 0.007,554 0.076,555 0.04,556 0.027,557 0.019,558 0.015,559 0.009,560 0.006,561 0.008,562 0.332,563 0.5,564 1,565 0.372,566 123.075,567 0.04,568 0.001,569 0.056,570 0.017,571 -0.012,572 0.033,573 -0.022,574 -0.012,575 -0.06,576 -0.021,577 -0.008,578 -0.038,579 -0.011,580 0.005,581 0.001,582 -0.033,583 0.068,584 -0.013,585 -0.198,586 -0.056,587 -0.117,588 -0.049,589 -0.166,590 -0.07,591 -0.095,592 0.077,593 -0.061,594 0.081,595 -0.173,596 0.021,597 0.01,598 -0.164,599 -0.033,600 -0.117,601 0.013,602 -0.089,603 -0.04,604 0.006,605 0.027,606 0.036,607 0.015,608 0.04,609 -0.05,610 -0.003,611 -0.019,613 -0.061,614 -0.003,615 1.559,616 5.469,617 0.84,618 23.357,619 0.996,620 1.123,621 2.39,622 5.71,623 0.679,624 3.367,625 3.664,626 3.951,627 4.174,628 4.344,629 4.317,630 4.419,631 4.489,632 4.489,633 4.595,634 6.868,635 0.645,636 332.44,637 3.367,638 4.89,639 5.74,640 6.6,641 7.461,642 8.326,643 9.191,644 10.057,645 10.924,646 11.792,647 8.9,649 1,651 5.959}
{0 CHEMBL191003,1 2.109,2 11.074,3 2.35,4 5.521,5 95.039,6 10.113,7 0.586,8 3.831,9 3.929,10 3.765,11 3.35,12 5.175,13 3.377,14 4.294,15 4.403,16 4.067,17 3.692,18 5.973,19 3.726,20 4.516,21 4.664,22 4.096,23 3.74,24 6.069,25 3.787,26 4.554,27 4.712,28 4.082,29 3.625,30 6.416,31 3.691,32 4.417,33 4.611,34 3.837,35 3.475,36 5.937,37 3.54,38 4.269,39 4.458,40 3.821,41 3.419,42 5.905,43 3.466,44 4.198,45 4.384,46 3.609,47 3.348,48 5.662,49 3.355,50 4.157,51 4.363,52 3.564,53 3.28,54 5.69,55 3.266,56 0.28,57 0.806,58 5.893,59 3.296,60 51.983,61 2.568,62 0.606,63 1.202,64 9.485,65 5.675,66 100.388,67 5.195,68 0.899,69 1.4,70 14.956,71 6.625,72 134.378,73 5.539,74 1.301,75 1.388,76 16.792,77 6.27,78 212.248,79 5.613,80 0.974,81 1.096,82 15.43,83 4.543,84 144.126,85 4.411,86 0.731,87 1.1,88 12.195,89 4.218,90 95.054,91 4.437,92 0.721,93 0.9,94 10.559,95 3.884,96 97.31,97 3.563,98 0.71,99 0.783,100 13.325,101 4.612,102 102.648,103 5.149,104 51,105 43,106 0.369,107 0.67,108 0.765,109 0.826,110 0.826,111 0.826,112 3.34,113 0.913,114 -4.08,115 -4.02,116 -3.81,118 38.5,137 7,138 1,139 4,145 1,150 1,154 1,155 2,156 2,157 2,158 1,162 4,164 4,165 2,166 4,167 6,169 2,170 5,173 1,174 5,175 1,176 2,178 4,180 3,182 2,183 1,184 13,185 1,186 1,187 1,188 3,189 1,191 3,194 10,196 1,198 1,204 5,206 2,207 1,208 4,209 1,211 4,213 3,218 5,220 2,221 3,222 4,223 2,224 2,225 2,227 1,229 2,231 2,233 1,234 1,238 4,241 1064,242 17.264,243 17.264,244 17.264,245 17.264,246 17.264,247 14.707,248 22.758,249 9.764,250 17.762,251 14.26,252 14.26,253 14.26,254 14.26,255 14.26,256 10.359,257 34.444,258 4.596,259 15.122,260 3.177,261 1.459,262 0.914,263 0.564,264 0.564,265 0.564,266 4.01,269 1,270 1,271 626,272 3.742,274 80.447,275 194.893,282 1.786,283 59.349,286 1,287 0.83,288 1,289 0.4,291 0.83,292 0.5,293 0.65,294 63,295 299,296 4.801,297 4.661,298 7.111,299 4.229,300 3.314,301 4.66,302 0.98,303 11.657,304 3.096,305 4.565,306 3.763,307 6.848,308 4.176,309 3.212,310 4.238,311 0.4,312 11.222,313 3,314 4.236,315 3.119,316 6.215,317 3.78,318 2.849,319 3.902,321 9.139,322 2.643,323 3.893,324 2.854,325 5.523,326 3.469,327 2.508,328 3.43,330 7.426,331 2.41,332 3.462,333 2.592,334 5.069,335 3.004,336 2.045,337 2.762,339 5.962,340 1.95,341 3.232,342 2.528,343 4.841,344 2.787,345 1.879,346 2.481,348 5.104,349 1.678,350 3.146,351 1.973,352 4.713,353 2.687,354 1.723,355 2.355,357 4.781,358 1.654,359 2.962,360 1.607,361 4.534,362 2.477,363 1.512,364 2.127,366 4.416,367 1.451,368 2.706,369 1.356,370 4.028,371 2.232,372 1.258,373 1.776,375 3.163,376 1.219,377 2.5,378 1.238,379 3.51,380 2,381 1,382 1.5,384 2.275,385 1,386 2.269,387 1,388 3.414,389 1.726,390 0.737,391 1.066,392 1.888,393 0.715,394 1.314,395 0.848,396 3,397 0.959,398 0.029,399 0.035,400 0.078,401 0.027,402 1.171,403 0.474,404 2.634,405 0.74,406 -0.197,407 -0.249,408 -0.482,409 -0.175,410 1,411 0.159,412 2.567,413 0.557,414 -0.347,415 -0.445,416 -0.757,417 -0.303,418 1,419 -0.098,420 2.352,421 0.306,422 -0.62,423 -0.756,424 -1.495,425 -0.569,426 12.305,427 0.456,428 1.008,429 0.037,430 39.25,431 1.454,432 21.5,433 0.796,434 17.75,435 0.657,436 17.715,437 0.656,438 29.695,439 0.761,440 32.922,441 1.219,442 7.94,443 0.294,444 4.724,445 0.175,446 0.193,447 0.068,448 0.358,451 2,452 0.646,453 1.041,454 0.758,455 1.125,456 0.716,457 0.77,458 0.55,459 0.967,460 0.806,461 1.087,462 0.56,463 0.952,464 1.151,465 1.192,466 1.03,467 1.073,468 1.067,469 1.004,470 0.97,471 1.045,472 0.992,473 1.045,474 0.945,475 1.083,476 1.17,477 0.934,478 0.86,479 0.672,480 1.132,481 0.816,482 0.766,483 0.941,484 0.83,485 0.838,486 0.672,487 0.904,488 1.116,489 0.933,490 1.133,491 0.961,492 1.064,493 1.184,494 0.797,495 0.728,496 0.836,497 0.784,498 0.845,499 0.929,500 7.5,501 0.132,502 3.778,503 3.007,504 1.526,505 1.091,506 0.719,507 0.371,508 0.314,509 0.29,510 8604,511 38044,512 1.963,513 30.8,515 7,518 5,523 1.698,524 1.77,525 3.394,526 2.694,527 1,528 1,531 82.243,532 2.109,533 3.826,534 4.371,535 4.721,536 4.721,537 4.721,538 2.908,539 3.912,540 4.727,541 3.624,542 1272.16,543 8.189,544 16517.3,546 1,548 1,549 206.131,550 1.74,551 4.637,552 0.259,553 0.007,554 0.088,555 0.07,556 0.038,557 0.033,558 0.022,559 0.015,560 0.014,561 0.013,562 0.558,563 0.17,564 1,565 0.857,566 134.659,567 -0.067,568 -0.029,569 0.128,570 -0.004,571 -0.17,572 0.103,573 0.175,574 0.01,575 -0.017,576 -0.092,577 0.151,578 -0.076,579 -0.226,580 -0.193,581 -0.149,582 -0.116,583 -0.153,584 -0.082,585 0.123,586 -0.021,587 -0.098,588 -0.148,589 0.153,590 -0.18,591 -0.225,592 -0.076,593 -0.033,594 0.101,595 -0.212,596 0.111,597 0.086,598 0.032,599 0.019,600 -0.001,601 0.097,602 0.007,603 -0.223,604 0.053,605 -0.273,606 -0.09,607 -0.22,608 -0.258,609 0.068,610 0.079,611 0.157,612 0.131,613 0.001,614 0.144,615 4.761,616 5.768,617 0.63,618 24.735,619 1.057,620 1.151,621 2.847,622 8.105,623 0.691,624 3.401,625 3.784,626 4.007,627 4.234,628 4.344,629 4.419,630 4.466,631 4.533,632 4.575,633 4.727,634 6.705,635 0.701,636 394.4,637 3.401,638 4.977,639 5.826,640 6.725,641 7.589,642 8.488,643 9.358,644 10.256,645 11.129,646 12.027,647 15.4,651 5}
{0 CHEMBL215152,1 1.681,2 17.459,3 3.771,4 14.22,5 139.919,6 7.577,7 0.55,8 4.307,9 4.435,10 3.872,11 3.771,12 5.458,13 3.774,14 4.827,15 5.009,16 4.192,17 4.127,18 5.96,19 4.108,20 5.066,21 5.289,22 4.202,23 4.231,24 6.134,25 4.185,26 5.098,27 5.335,28 4.193,29 4.241,30 6.171,31 4.167,32 5.13,33 5.377,34 4.134,35 4.209,36 6.206,37 4.136,38 5.077,39 5.331,40 4.092,41 4.138,42 6.191,43 4.06,44 4.929,45 5.166,46 3.994,47 4.054,48 5.984,49 3.995,50 4.815,51 5.039,52 3.982,53 4.027,54 5.903,55 3.96,56 0.144,57 1.088,58 13.616,59 5.607,60 16.068,61 7.417,62 0.443,63 1.651,64 25.778,65 8.954,66 42.252,67 12.355,68 0.745,69 1.9,70 35.981,71 10.775,72 73.434,73 15.28,74 0.757,75 1.89,76 37.31,77 12.071,78 69.112,79 17.533,80 0.771,81 1.811,82 39.939,83 12.191,84 98.061,85 17.545,86 0.945,87 1.666,88 38.803,89 11.702,90 116.811,91 17.129,92 0.766,93 1.581,94 32.383,95 9.258,96 76.09,97 13.442,98 0.524,99 1.523,100 26.96,101 8.899,102 47.555,103 13.035,104 27,105 53,106 0.264,107 0.627,108 0.817,109 0.91,110 0.91,111 0.91,112 3.641,113 0.908,114 -4.34,115 -4.28,116 -4.04,118 38.8,119 1,120 2,124 5,137 8,138 1,139 3,141 1,142 2,143 1,147 1,150 1,160 1,162 4,164 1,165 10,167 3,169 7,170 7,174 4,176 1,177 1,178 2,180 2,183 3,184 9,186 2,187 1,188 5,190 6,193 1,194 2,196 2,198 3,201 3,203 2,204 9,206 2,207 1,208 3,210 7,213 3,216 2,218 3,220 2,222 3,223 6,225 1,227 5,229 5,232 2,234 1,236 4,238 1,241 3142,242 25.342,243 25.342,244 25.342,245 25.342,246 25.342,247 22.558,248 34.329,249 15.396,250 26.028,251 19.724,252 19.724,253 19.724,254 19.724,255 19.724,256 15.519,257 51.895,258 7.238,259 20.792,260 4.385,261 2.082,262 0.87,263 0.28,264 0.28,265 0.28,266 4.338,270 1,271 1367,272 4.472,274 108.317,275 361.786,279 188.83,282 3.229,283 42.761,286 0.75,287 0.5,288 0.67,289 0.7,290 0.5,291 0.67,292 0.5,293 0.61,294 82,295 646,296 4.526,297 3.63,298 6.529,299 4.042,300 3.075,301 4.464,302 1.987,303 10.306,304 2.975,305 4.148,306 3.155,307 5.728,308 3.759,309 2.788,310 3.75,311 0.86,312 8.122,313 2.706,314 4.055,315 2.951,316 5.572,317 3.626,318 2.667,319 3.657,320 0.8,321 7.651,322 2.553,323 3.774,324 2.876,325 5.43,326 3.401,327 2.478,328 3.213,329 0.4,330 7.171,331 2.298,332 3.616,333 2.804,334 5.299,335 3.36,336 2.423,337 2.867,338 0.324,339 6.787,340 2.259,341 3.466,342 2.709,343 5.15,344 3.232,345 2.266,346 2.655,348 6.375,349 2.172,350 3.34,351 2.319,352 4.961,353 2.925,354 1.993,355 2.466,357 5.729,358 1.848,359 3.206,360 2.24,361 4.757,362 2.769,363 1.816,364 2.442,366 5.211,367 1.715,368 3.039,369 1.87,370 4.44,371 2.567,372 1.597,373 2.252,375 4.417,376 1.537,377 2.96,378 1.693,379 4.148,380 2.482,381 1.543,382 2.119,384 3.725,385 1.442,386 2.657,387 1.567,388 3.617,389 2.369,390 1.417,391 1.728,392 3.03,393 1.342,394 2.518,395 1.476,396 3.479,397 2.171,398 1.18,399 1.52,400 2.587,401 1.165,402 2.385,403 1.275,404 3.402,405 2.02,406 1.099,407 1.341,408 2.224,409 1.003,410 2.206,411 1.022,412 3.28,413 1.904,414 0.947,415 1.102,416 1.822,417 0.904,418 2.103,419 0.864,420 3.13,421 1.71,422 0.728,423 1.064,424 1.738,425 0.714,426 17.086,427 0.462,428 0.724,429 0.02,430 47.5,431 1.284,432 23,433 0.622,434 24.5,435 0.662,436 31.584,437 0.854,438 41.114,439 0.614,440 38.653,441 1.045,442 9.642,443 0.261,444 8.391,445 0.227,446 0.085,448 0.287,451 1,452 0.795,453 1.298,454 0.782,455 1.15,456 0.658,457 0.992,458 0.887,459 1.151,460 0.895,461 1.079,462 0.658,463 1.003,464 1.179,465 1.024,466 1.052,467 0.934,468 1.017,469 0.953,470 0.727,471 0.948,472 0.91,473 1.057,474 0.646,475 1.032,476 1.015,477 0.92,478 0.957,479 0.977,480 1.099,481 0.96,482 0.83,483 0.823,484 0.828,485 0.857,486 0.7,487 0.857,488 1.144,489 0.934,490 1.035,491 0.836,492 0.938,493 0.894,494 0.648,495 1.004,496 0.948,497 1.095,498 0.546,499 1.084,500 7.5,501 0.206,502 2.667,503 2.444,504 1.449,505 0.962,506 0.534,507 0.481,508 0.303,509 0.306,510 24809,511 71439,512 2.071,513 44.8,515 18,517 1,518 4,519 2,520 3,521 2,523 1.775,524 1.965,525 4.047,526 1.525,531 112.603,532 1.681,533 3.984,534 5.196,535 5.786,536 5.786,537 5.786,538 3.517,539 5.155,540 5.172,541 4.276,542 2847.78,543 9.075,544 51192.2,549 406.428,550 1.283,551 5.153,552 0.188,553 0.006,554 0.05,555 0.047,556 0.029,557 0.02,558 0.012,559 0.011,560 0.007,561 0.008,562 0.379,564 0.75,565 1.56,566 210.706,567 -0.06,568 -0.137,569 0.034,570 -0.049,571 -0.055,572 0.002,573 -0.027,574 -0.09,575 0.003,576 -0.056,577 0.023,578 -0.031,579 -0.162,580 -0.012,581 -0.081,582 0.039,583 -0.102,584 0.007,585 0.112,586 -0.005,587 0.047,588 -0.064,589 0.09,590 -0.034,591 -0.053,592 -0.032,593 0.036,594 -0.003,595 -0.059,596 0.03,597 0.131,598 0.002,599 0.179,600 0.113,601 0.14,602 0.142,603 -0.124,604 0.019,605 -0.044,606 0.12,607 -0.099,608 0.068,609 0.095,610 -0.009,611 -0.026,612 -0.097,613 0.068,614 -0.093,615 2.084,616 5.319,617 0.568,618 61.746,619 1.012,620 1.141,621 3.115,622 9.701,623 0.649,624 3.714,625 3.989,626 4.205,627 4.454,628 4.605,629 4.673,630 4.787,631 4.942,632 5.05,633 5.124,634 10.066,635 0.627,636 507.63,637 3.714,638 5.231,639 6.052,640 6.907,641 7.743,642 8.604,643 9.448,644 10.314,645 11.164,646 12.034,647 10.4,650 1,651 5}
{0 CHEMBL221959,1 1.567,2 8.696,3 1.372,4 1.883,5 87.831,6 7.266,7 0.4,8 3.858,9 3.998,10 3.408,11 3.334,12 4.964,13 3.324,14 4.432,15 4.643,16 3.762,17 3.746,18 5.408,19 3.709,20 4.697,21 4.92,22 3.855,23 3.924,24 5.691,25 3.859,26 4.853,27 5.103,28 3.837,29 3.998,30 5.874,31 3.897,32 4.905,33 5.183,34 3.72,35 4.009,36 5.772,37 3.869,38 4.827,39 5.104,40 3.663,41 3.916,42 5.78,43 3.789,44 4.681,45 4.945,46 3.517,47 3.743,48 5.755,49 3.62,50 4.465,51 4.769,52 3.189,53 3.443,54 5.493,55 3.305,56 0.02,57 0.693,58 9.09,59 3.332,60 9.916,61 4.976,62 0.278,63 1.085,64 18.121,65 5.65,66 22.406,67 8.677,68 0.25,69 1.31,70 24.153,71 7.443,72 39.951,73 11.503,74 0.483,75 1.411,76 29.517,77 9.021,78 72.937,79 13.754,80 0.428,81 1.405,82 31.822,83 9.981,84 54.136,85 15.511,86 0.334,87 1.307,88 29.314,89 8.631,90 58.293,91 13.766,92 0.462,93 1.106,94 25.547,95 7.42,96 68.581,97 11.408,98 0.26,99 0.837,100 21.112,101 5.624,102 40.757,103 9.33,104 20,105 35,106 0.274,107 0.644,108 0.86,109 0.876,110 0.876,111 0.876,112 3.189,113 0.933,114 -3,115 -3.01,116 -2.9,118 37.2,119 1,120 2,121 1,123 1,124 2,126 1,137 1,138 1,142 1,143 1,146 1,150 2,153 1,162 3,164 3,165 8,167 1,169 2,170 1,173 1,174 6,183 3,184 3,186 2,190 2,193 2,194 5,201 4,204 4,208 1,210 3,212 3,213 5,216 1,218 2,220 1,223 2,229 1,231 2,232 2,234 1,236 1,241 709,242 15.56,243 15.56,244 15.56,245 15.56,246 15.56,247 14.091,248 16.291,249 9.16,250 15.944,251 12.26,252 12.26,253 12.26,254 12.26,255 12.26,256 9.988,257 21.804,258 4.2,259 12.86,260 3.859,261 1.738,262 0.5,263 0.407,264 0.407,265 0.407,266 3.866,268 1,269 1,270 1,271 426,272 3.317,274 47.145,275 133.048,278 88.881,282 1.361,283 22.725,286 1,287 1,288 1,289 0.8,290 0.5,291 1,292 1,293 0.9,294 50,295 200,296 4.557,297 4.093,298 6.803,299 4.155,300 3.205,301 4.474,302 2.65,303 11.145,304 3.046,305 4.076,306 3.667,307 6.327,308 3.883,309 2.919,310 3.218,311 1.749,312 9.527,313 2.813,314 3.838,315 3.345,316 5.963,317 3.58,318 2.613,319 3.056,320 0.8,321 8.302,322 2.528,323 3.477,324 2.888,325 5.451,326 3.125,327 2.176,328 2.619,329 0.547,330 6.657,331 2.054,332 3.365,333 2.381,334 4.576,335 2.508,336 1.554,337 2.321,339 4.315,340 1.481,341 3.048,342 2.038,343 4.211,344 2.485,345 1.543,346 1.92,348 3.807,349 1.46,350 2.703,351 1.614,352 4.104,353 2.479,354 1.52,355 1.708,357 3.61,358 1.437,359 2.521,360 1.547,361 3.659,362 1.947,363 1,364 1.5,366 2.362,367 0.945,368 2.5,369 1.512,370 3.396,371 1.868,372 0.917,373 1.283,375 2.222,376 0.869,377 2.103,378 1.046,379 3.069,380 1.839,381 0.848,382 1.031,384 1.399,385 0.831,386 1.723,387 1,388 2.957,389 1.323,390 0.392,391 0.523,392 0.97,393 0.364,394 1.18,395 0.458,396 2.508,397 0.849,398 -0.127,399 -0.135,400 -0.278,401 -0.123,402 0.963,403 0.157,404 2.291,405 0.419,406 -0.585,407 -0.785,408 -0.922,409 -0.552,410 0.772,411 -0.22,412 2.249,413 0.316,414 -0.614,415 -0.841,416 -1.49,417 -0.594,418 0.5,419 -0.501,420 1.95,421 0.112,422 -0.829,423 -1,424 -2.428,425 -0.78,426 10.733,427 0.467,428 0.559,429 0.024,430 29,431 1.261,432 13,433 0.565,434 16,435 0.696,436 19.759,437 0.859,438 25.267,439 0.588,440 19.773,441 0.86,442 5.462,443 0.237,444 5.651,445 0.246,446 0.161,448 0.354,452 0.785,453 1.683,454 0.793,455 1.281,456 0.477,457 1.069,458 0.81,459 1.013,460 0.86,461 0.91,462 0.488,463 0.885,464 1.057,465 1.244,466 1.01,467 1.144,468 0.839,469 1.079,470 1.012,471 0.926,472 1.059,473 1.027,474 0.787,475 1.054,476 0.811,477 0.904,478 0.977,479 0.993,480 0.721,481 1.012,482 0.939,483 0.99,484 1.011,485 1.021,486 0.943,487 1.02,488 1.186,489 0.907,490 1.136,491 1.024,492 1.404,493 1.08,494 0.98,495 0.917,496 0.952,497 0.928,498 0.899,499 0.923,500 4,501 0.041,502 3.333,503 1.75,504 1.217,505 0.903,506 0.469,507 0.359,508 0.131,509 0.091,510 5072,511 14465,512 2.041,513 46.5,514 3,515 9,516 1,517 1,518 1,519 2,520 3,523 1.662,524 1.89,525 3.116,526 -0.241,527 1,528 1,529 1,531 67.381,532 1.567,533 3.688,534 4.926,535 5.019,536 5.019,537 5.019,538 2.541,539 4.35,540 4.496,541 3.239,542 819.495,543 7.766,544 9094.07,546 1,549 233.329,550 1.478,551 4.443,552 0.16,553 0.007,554 0.095,555 0.047,556 0.035,557 0.029,558 0.016,559 0.015,560 0.008,561 0.008,562 0.42,563 0.5,564 1,565 1.226,566 105.892,567 -0.038,568 -0.402,569 0.063,570 -0.16,571 0.051,572 -0.052,573 0.09,574 0.131,575 0.072,576 0.099,577 0.039,578 0.086,579 -0.099,580 -0.183,581 -0.065,582 -0.131,583 -0.015,584 -0.098,585 0.006,586 0.061,587 -0.087,588 -0.041,589 0.074,590 -0.077,591 0.01,592 0.008,593 -0.006,594 0.009,595 -0.035,597 -0.091,598 -0.06,599 -0.036,600 -0.042,601 -0.079,602 -0.027,603 -0.041,604 0.02,605 -0.136,606 -0.062,607 -0.145,608 -0.115,609 -0.062,610 -0.056,611 0.059,612 0.002,613 0.016,614 0.052,615 1.757,616 5.035,617 0.652,618 16.253,619 1.003,620 1.142,621 1.775,622 3.15,623 0.647,624 3.258,625 3.584,626 3.892,627 4.143,628 4.317,629 4.382,630 4.454,631 4.5,632 4.431,633 4.443,634 5.258,635 0.617,636 312.42,637 3.258,638 4.796,639 5.659,640 6.544,641 7.427,642 8.318,643 9.208,644 10.101,645 10.994,646 11.889,647 14,651 5}
{0 CHEMBL223360,1 1.634,2 11.429,3 4.169,4 17.383,5 107.914,6 8.162,7 0.71,8 3.95,9 4.077,10 3.584,11 3.517,12 5.182,13 3.516,14 4.409,15 4.555,16 3.957,17 3.901,18 5.658,19 3.881,20 4.647,21 4.824,22 4,23 4.007,24 5.876,25 3.969,26 4.721,27 4.936,28 3.93,29 3.963,30 5.904,31 3.912,32 4.667,33 4.882,34 3.863,35 3.86,36 6.017,37 3.812,38 4.591,39 4.828,40 3.641,41 3.733,42 5.779,43 3.668,44 4.397,45 4.639,46 3.447,47 3.569,48 5.514,49 3.493,50 4.231,51 4.463,52 3.433,53 3.458,54 5.408,55 3.397,56 0.108,57 0.782,58 7.914,59 3.697,60 11.726,61 4.413,62 0.223,63 1.204,64 13.556,65 6.439,66 22.404,67 8.066,68 0.344,69 1.489,70 19.254,71 7.879,72 40.825,73 9.722,74 0.337,75 1.507,76 23.161,77 8.716,78 48.52,79 11.124,80 0.537,81 1.362,82 22.441,83 7.743,84 80.827,85 10.011,86 0.435,87 1.257,88 22.255,89 7.478,90 67.431,91 9.409,92 0.323,93 1.008,94 18.15,95 6.136,96 46.423,97 8.048,98 0.256,99 0.927,100 15.067,101 5.878,102 32.921,103 7.568,104 17,105 44,106 0.276,107 0.606,108 0.745,109 0.86,110 0.877,111 0.877,112 3.374,113 0.84,114 -5.45,115 -5.33,116 -4.98,118 45.7,119 1,137 10,138 4,139 3,142 1,147 1,151 1,155 1,156 1,157 1,160 1,162 13,165 1,166 1,167 3,168 1,169 6,170 16,172 1,174 2,177 1,178 7,179 1,180 13,182 1,184 6,188 11,190 7,191 3,194 6,198 10,201 4,202 3,204 5,208 9,210 4,211 2,213 1,218 2,220 6,223 2,225 1,226 2,227 3,228 1,229 9,232 1,236 1,238 7,241 1148,242 18.809,243 18.809,244 18.809,245 18.809,246 18.809,247 15.963,248 17.267,249 10.95,250 19.05,251 15.292,252 15.292,253 15.292,254 15.292,255 15.292,256 11.074,257 22.095,258 5.201,259 15.696,260 3.889,261 1.931,262 1.103,263 0.424,264 0.321,265 0.321,266 4.07,269 1,270 1,271 700,272 3.082,274 65.692,275 273.275,278 123.126,282 1.939,283 29.165,285 1,286 0.75,287 1,288 1,289 0.6,291 1,292 1,293 0.76,294 61,295 320,296 4.661,297 3.575,298 6.879,299 4.209,300 3.223,301 4.621,302 1.656,303 11.471,304 3.18,305 4.252,306 3.24,307 6.094,308 3.851,309 2.89,310 3.891,311 0.247,312 8.874,313 2.77,314 4.074,315 3.12,316 5.886,317 3.656,318 2.677,319 3.693,321 8.159,322 2.619,323 3.76,324 2.672,325 5.452,326 3.402,327 2.427,328 3.118,330 7.243,331 2.359,332 3.492,333 2.42,334 4.956,335 3.11,336 2.126,337 2.805,339 5.769,340 2.085,341 3.362,342 2.347,343 4.932,344 2.94,345 1.963,346 2.703,348 5.421,349 1.902,350 3.342,351 1.983,352 4.804,353 2.87,354 1.911,355 2.608,357 5.315,358 1.83,359 2.967,360 1.801,361 4.459,362 2.486,363 1.507,364 2.173,366 4.198,367 1.473,368 2.805,369 1.535,370 4.109,371 2.347,372 1.365,373 1.914,375 3.599,376 1.33,377 2.631,378 1.185,379 3.817,380 2.138,381 1.157,382 1.692,384 2.803,385 1.132,386 2.5,387 1,388 3.414,389 2,390 1,391 1.5,392 2.275,393 1,394 2.174,395 0.794,396 3.327,397 1.703,398 0.721,399 1.031,400 1.751,401 0.706,402 1.536,403 0.764,404 3.006,405 1.209,406 0.288,407 0.342,408 0.673,409 0.26,410 1.337,411 0.578,412 2.605,413 0.978,414 0.009,415 0.011,416 0.022,417 0.009,418 1,419 0.219,420 2.391,421 0.655,422 -0.332,423 -0.412,424 -0.849,425 -0.324,426 13.119,427 0.469,428 0.75,429 0.027,430 40.75,431 1.455,432 23,433 0.821,434 17.75,435 0.634,436 18.905,437 0.675,438 28.881,439 0.628,440 31.015,441 1.108,442 8.341,443 0.298,444 5.167,445 0.185,446 0.116,448 0.381,451 1,452 0.717,453 0.909,454 0.729,455 0.816,456 0.639,457 0.77,458 0.502,459 1.016,460 0.71,461 1.005,462 0.516,463 0.932,464 0.951,465 1.066,466 1.02,467 1.089,468 0.93,469 1.075,470 1.056,471 1.148,472 1.011,473 1.107,474 0.99,475 1.058,476 0.972,477 0.955,478 1.028,479 1.025,480 0.951,481 1.031,482 1.381,483 1.015,484 1.167,485 0.97,486 1.412,487 1.008,488 1.091,489 0.88,490 1.067,491 0.899,492 1.064,493 0.956,494 0.921,495 0.98,496 0.846,497 0.985,498 0.97,499 0.93,500 6,501 0.127,502 3.333,503 2.222,504 1.559,505 0.847,506 0.532,507 0.339,508 0.207,509 0.208,510 10812,511 31589,512 2.094,513 39.1,514 3,515 10,518 5,523 1.705,524 1.953,525 3.45,526 2.467,528 1,531 75.177,532 1.634,533 3.593,534 4.421,535 5.099,536 5.203,537 5.203,538 2.833,539 4.28,540 4.783,541 3.697,542 1397.53,543 8.283,544 19134.4,546 1,548 1,549 254.084,550 1.432,551 4.736,552 0.194,553 0.006,554 0.076,555 0.051,556 0.039,557 0.024,558 0.018,559 0.014,560 0.009,561 0.01,562 0.44,563 0.17,564 0.88,565 0.573,566 142.488,567 -0.07,568 0.119,569 0.005,570 0.129,571 -0.107,572 0.099,573 0.173,574 -0.028,575 0.081,576 -0.026,577 0.084,578 -0.009,579 -0.045,580 -0.047,581 -0.138,582 -0.12,583 -0.059,584 -0.145,585 -0.099,586 -0.158,587 -0.043,588 -0.126,589 -0.048,590 -0.08,591 0.068,592 -0.046,593 -0.04,594 -0.074,595 0.141,596 -0.075,597 -0.216,598 -0.025,599 -0.122,600 0.005,601 -0.185,602 -0.024,603 -0.156,604 -0.021,605 -0.047,606 0.067,607 -0.117,608 0.043,609 0.092,610 0.034,611 0.175,612 0.036,613 0.047,614 0.099,615 2.182,616 5.783,617 0.75,618 26.857,619 1.012,620 1.129,621 4.218,622 17.792,623 0.69,624 3.466,625 3.807,626 4.078,627 4.357,628 4.554,629 4.533,630 4.635,631 4.771,632 4.762,633 4.852,634 7.166,635 0.672,636 375.44,637 3.466,638 5.017,639 5.872,640 6.758,641 7.629,642 8.516,643 9.393,644 10.281,645 11.162,646 12.051,647 10.9,651 5}
{0 CHEMBL230011,1 1.675,2 7.885,3 2.637,4 6.954,5 95.202,6 8.659,7 0.793,8 3.843,9 3.954,10 3.515,11 3.384,12 5.164,13 3.411,14 4.25,15 4.376,16 3.905,17 3.754,18 5.605,19 3.767,20 4.496,21 4.657,22 3.98,23 3.858,24 5.801,25 3.863,26 4.507,27 4.696,28 3.942,29 3.821,30 5.799,31 3.817,32 4.496,33 4.674,34 3.931,35 3.849,36 5.791,37 3.846,38 4.514,39 4.684,40 3.954,41 3.893,42 5.791,43 3.878,44 4.559,45 4.734,46 3.901,47 3.861,48 5.867,49 3.837,50 4.566,51 4.771,52 3.675,53 3.667,54 5.923,55 3.619,56 0.151,57 0.65,58 6.242,59 2.923,60 22.572,61 3.025,62 0.206,63 0.992,64 9.428,65 4.932,66 19.459,67 5.714,68 0.38,69 1.197,70 14.477,71 5.901,72 42.394,73 6.727,74 0.385,75 1.197,76 16.05,77 6.158,78 47.359,79 7.601,80 0.445,81 1.192,82 15.109,83 5.438,84 53.866,85 6.345,86 0.349,87 1.188,88 15.003,89 6.25,90 38.169,91 7.587,92 0.335,93 1.202,94 15.847,95 6.594,96 35.346,97 7.887,98 0.528,99 1.095,100 18.861,101 6.686,102 68.064,103 8.135,104 17,105 42,106 0.29,107 0.593,108 0.706,109 0.801,110 0.81,111 0.827,112 3.306,113 0.797,114 -3.67,115 -3.64,116 -3.47,118 45,137 8,138 2,139 2,141 3,142 1,144 1,145 1,155 2,156 2,157 2,162 8,164 2,165 2,166 3,167 3,169 4,170 8,173 3,174 6,175 1,176 1,178 4,180 5,183 1,184 7,185 3,186 3,187 1,188 2,189 2,190 4,192 1,194 8,195 1,196 3,198 1,201 6,202 1,204 8,206 2,208 6,210 6,211 4,213 5,216 1,218 10,220 5,221 6,223 3,225 2,226 1,227 7,228 1,229 2,230 5,232 1,234 1,235 3,236 5,237 2,238 1,240 3,241 968,242 17.394,243 17.394,244 17.394,245 17.394,246 17.394,247 14.631,248 10.638,249 10.119,250 17.75,251 14.347,252 14.347,253 14.347,254 14.347,255 14.347,256 10.22,257 9.826,258 4.859,259 14.991,260 3.647,261 1.9,262 1.25,263 0.7,264 0.65,265 0.55,266 4.001,268 1,269 1,270 1,271 444,272 2.236,275 260.282,279 105.77,282 1.142,283 32.774,285 1,286 0.75,287 0.83,288 0.83,289 0.3,291 0.67,292 0.5,293 0.55,294 57,295 205,296 4.649,297 3.248,298 6.774,299 4.196,300 3.234,301 4.578,303 11.176,304 3.116,305 4.297,306 2.941,307 6.389,308 3.854,309 2.895,310 3.974,312 9.753,313 2.771,314 4.054,315 2.762,316 5.838,317 3.636,318 2.654,319 3.67,321 8.121,322 2.605,323 3.737,324 2.534,325 5.176,326 3.282,327 2.329,328 3.237,330 6.384,331 2.213,332 3.499,333 2.232,334 5.075,335 3.033,336 2.109,337 2.888,339 5.993,340 1.951,341 3.423,342 2.164,343 5.002,344 2.969,345 2.03,346 2.787,348 5.823,349 1.895,350 3.269,351 1.989,352 4.888,353 2.826,354 1.889,355 2.538,357 5.438,358 1.761,359 2.868,360 1.492,361 4.383,362 2.382,363 1.411,364 2.03,366 3.928,367 1.365,368 2.697,369 1.285,370 3.972,371 2.215,372 1.236,373 1.786,375 3.058,376 1.208,377 2.571,378 1.091,379 3.484,380 2.068,381 1.08,382 1.606,384 2.53,385 1.066,386 2.459,387 1.031,388 3.472,389 1.935,390 1,391 1.441,392 2.497,393 0.932,394 1.461,395 0.159,396 3.09,397 1.02,398 0.087,399 0.116,400 0.245,401 0.081,402 1.126,403 -0.057,404 2.816,405 0.631,406 -0.302,407 -0.416,408 -0.804,409 -0.281,410 0.937,411 -0.057,412 2.555,413 0.527,414 -0.404,415 -0.51,416 -0.901,417 -0.37,418 0.92,419 -0.258,420 2.37,421 0.502,422 -0.42,423 -0.529,424 -1.023,425 -0.382,426 12.067,427 0.464,428 0.75,429 0.029,430 41.5,431 1.596,432 24,433 0.923,434 17.5,435 0.673,436 15.646,437 0.602,438 26.333,439 0.658,440 31.77,441 1.222,442 8.228,443 0.316,444 4.28,445 0.165,446 0.122,448 0.414,452 1.119,453 1.065,454 0.755,455 0.753,456 1.21,457 0.682,458 0.562,459 1.047,460 0.628,461 1.018,462 0.518,463 0.881,464 1.035,465 1.088,466 0.925,467 0.99,468 1,469 0.948,470 0.828,471 1.029,472 0.824,473 0.956,474 0.731,475 0.902,476 1.021,477 0.943,478 1.012,479 0.816,480 0.916,481 0.871,482 0.794,483 1.068,484 0.897,485 1.019,486 0.708,487 0.978,488 0.958,489 1.221,490 1.072,491 1.267,492 0.896,493 1.202,494 1.214,495 1.162,496 1.277,497 1.301,498 1.326,499 1.311,500 6,501 0.012,502 2.889,503 2,504 1.933,505 1.035,506 0.773,507 0.606,508 0.358,509 0.144,510 6983,511 22132,512 2.101,513 35,515 8,518 6,523 1.701,524 1.95,525 2.983,526 3.468,527 1,528 1,529 1,531 67.006,532 1.675,533 3.422,534 4.072,535 4.622,536 4.672,537 4.772,538 2.411,539 3.594,540 4.672,541 3.145,542 1022,543 8.154,544 12426.2,545 1,546 1,547 1,548 1,549 212.877,550 1.46,551 4.624,552 0.207,553 0.006,554 0.069,555 0.045,556 0.046,557 0.025,558 0.018,559 0.016,560 0.013,561 0.01,562 0.455,563 0.33,564 1,565 0.596,566 123.35,567 -0.263,568 0.048,569 -0.044,570 0.188,571 -0.341,572 0.139,573 0.154,574 0.046,575 0.108,576 -0.061,577 0.123,578 -0.014,579 -0.091,580 -0.037,581 -0.068,582 -0.051,583 -0.13,584 -0.062,585 0.035,586 -0.001,587 0.095,588 -0.006,589 0.064,590 0.038,591 -0.124,592 0.136,593 -0.139,594 0.102,595 -0.108,596 0.013,597 0.003,598 -0.043,599 -0.032,600 -0.048,601 0.022,602 -0.04,603 -0.078,604 -0.225,605 -0.173,606 -0.296,607 -0.018,608 -0.256,609 -0.045,610 -0.243,611 -0.23,612 -0.323,613 -0.068,614 -0.32,615 1.67,616 3.83,617 0.846,618 19.941,619 1.02,620 1.127,621 2.443,622 5.967,623 0.7,624 3.401,625 3.761,626 4.043,627 4.369,628 4.673,629 4.82,630 4.997,631 5.165,632 5.288,633 5.252,634 5.233,635 0.692,636 346.38,637 3.401,638 4.963,639 5.826,640 6.727,641 7.612,642 8.521,643 9.417,644 10.33,645 11.232,646 12.147,647 15,651 5}
{0 CHEMBL2309006,1 1.547,2 7.727,3 3.097,4 9.588,5 120.91,6 8.139,7 0.6,8 4.166,9 4.257,10 3.825,11 3.754,12 5.256,13 3.76,14 4.761,15 4.88,16 4.355,17 4.261,18 5.837,19 4.266,20 5.105,21 5.244,22 4.581,23 4.502,24 6.247,25 4.5,26 5.272,27 5.421,28 4.66,29 4.645,30 6.369,31 4.624,32 5.354,33 5.532,34 4.675,35 4.696,36 6.412,37 4.657,38 5.343,39 5.511,40 4.583,41 4.661,42 6.447,43 4.604,44 5.32,45 5.527,46 4.257,47 4.47,48 6.426,49 4.363,50 5.075,51 5.343,52 3.604,53 4.018,54 6.113,55 3.844,56 0.099,57 0.784,58 9.631,59 4.91,60 17.601,61 5.507,62 0.341,63 1.418,64 19.436,65 8.823,66 35.052,67 10.31,68 0.718,69 1.945,70 30.363,71 12.462,72 77.919,73 14.241,74 0.757,75 2.287,76 36.384,77 14.993,78 73.412,79 17.333,80 0.663,81 2.483,82 41.505,83 17.22,84 56.009,85 21.179,86 0.509,87 2.417,88 39.468,89 17.223,90 55.808,91 20.833,92 0.759,93 2.258,94 43.8,95 17.535,96 98.068,97 21.867,98 0.716,99 1.704,100 40.317,101 14.344,102 102.389,103 18.88,104 18,105 67,106 0.249,107 0.619,108 0.763,109 0.835,110 0.859,111 0.883,112 3.535,113 0.847,114 -3.29,115 -3.28,116 -3.14,118 48.1,119 1,120 1,124 2,127 1,128 1,129 1,137 8,138 6,147 4,150 1,162 13,164 2,165 11,167 1,169 3,170 14,173 1,174 11,176 2,177 1,178 4,180 14,184 15,186 3,188 3,190 16,193 1,194 12,196 3,198 5,201 21,203 1,204 9,208 13,210 18,212 1,213 4,216 1,218 14,220 11,223 2,226 1,227 5,229 9,234 1,235 1,236 1,238 4,241 1301,242 22.786,243 22.786,244 22.786,245 22.786,246 22.786,247 20.109,248 22.317,249 12.437,250 23.145,251 19.686,252 19.686,253 19.686,254 19.686,255 19.686,256 15.274,257 33.429,258 5.793,259 20.376,260 4.207,261 1.911,262 1.014,263 0.57,264 0.421,265 0.273,266 4.275,269 1,270 1,271 598,272 3.742,274 107.303,275 102.591,276 33.756,277 42.206,278 238.345,279 98.475,280 169.706,281 368.985,282 1.025,283 40.781,286 1,287 0.83,288 1,289 0.8,290 0.5,291 1,292 1,293 0.88,294 71.5,295 255,296 5.167,297 4.216,298 8.578,299 4.888,300 3.95,301 5.287,302 1.157,303 17.076,304 3.709,305 4.839,306 3.743,307 7.514,308 4.519,309 3.541,310 4.711,311 1.081,312 13.895,313 3.461,314 4.621,315 3.401,316 7.068,317 4.173,318 3.205,319 4.017,320 0.473,321 12.128,322 3.106,323 4.243,324 3.28,325 6.721,326 3.89,327 2.912,328 3.728,329 0.297,330 10.751,331 2.842,332 3.864,333 2.802,334 6.325,335 3.386,336 2.428,337 3.484,339 9.099,340 2.344,341 3.687,342 2.622,343 6.05,344 3.362,345 2.392,346 3.086,348 8.432,349 2.292,350 3.523,351 2.507,352 5.903,353 3.181,354 2.232,355 2.849,357 7.831,358 2.111,359 3.4,360 2.32,361 5.647,362 3.021,363 2.037,364 2.668,366 6.962,367 1.991,368 3.066,369 1.989,370 5.228,371 2.707,372 1.742,373 2.168,375 5.578,376 1.667,377 2.886,378 1.703,379 4.884,380 2.433,381 1.453,382 2.04,384 4.482,385 1.422,386 2.863,387 1.513,388 4.715,389 2.419,390 1.433,391 1.976,392 4.192,393 1.405,394 2.817,395 1.399,396 4.075,397 2.379,398 1.381,399 1.922,400 3.037,401 1.376,402 2.631,403 1.286,404 3.877,405 2.175,406 1.19,407 1.676,408 2.904,409 1.17,410 2.223,411 1.147,412 3.713,413 1.925,414 0.966,415 1.163,416 2.683,417 0.923,418 2.062,419 1.134,420 3.63,421 1.632,422 0.655,423 0.887,424 1.776,425 0.637,426 15.533,427 0.471,428 1.119,429 0.034,430 42.75,431 1.295,432 19.5,433 0.591,434 23.25,435 0.705,436 34.432,437 1.043,438 33.667,439 0.623,440 36.631,441 1.11,442 8.087,443 0.245,444 7.896,445 0.239,446 0.097,447 0.064,448 0.438,452 0.873,453 1.118,454 0.699,455 0.879,456 0.808,457 0.775,458 0.825,459 1.051,460 0.693,461 0.845,462 0.691,463 0.759,464 1.093,465 0.987,466 0.858,467 0.84,468 0.862,469 0.806,470 1.119,471 1.032,472 0.986,473 0.932,474 0.985,475 0.929,476 0.889,477 0.944,478 0.887,479 0.946,480 0.753,481 0.918,482 0.949,483 1.184,484 1.091,485 1.231,486 0.858,487 1.195,488 1.025,489 1.148,490 1.246,491 1.279,492 1.134,493 1.305,494 1.099,495 0.946,496 1.221,497 1.106,498 1.371,499 1.179,500 6,502 5.333,503 5.167,504 3.731,505 2.737,506 2.031,507 0.847,508 0.293,509 0.06,510 12383,511 30965,512 2.278,513 38.9,515 12,516 1,518 3,521 3,522 2,523 1.769,524 2.106,525 2.893,526 0.802,528 1,531 83.559,532 1.547,533 3.843,534 4.741,535 5.185,536 5.334,537 5.482,538 2.28,539 4.681,540 5.021,541 2.988,542 1577.92,543 8.884,544 20584.4,546 1,549 310.764,550 1.668,551 4.965,552 0.15,554 0.08,555 0.063,556 0.042,557 0.031,558 0.026,559 0.017,560 0.013,561 0.007,562 0.428,563 0.5,564 0.88,565 0.675,566 162.632,567 -0.104,568 -0.042,569 0.043,570 0.07,571 -0.137,572 0.081,573 0.047,574 0.028,575 0.121,576 0.097,577 -0.033,578 0.114,579 0.007,580 0.063,581 0.036,582 0.103,583 0.026,584 0.081,585 -0.077,586 0.006,587 -0.084,588 0.019,589 -0.078,590 -0.024,591 -0.006,592 0.069,593 0.045,594 0.027,595 0.009,596 0.043,597 -0.066,598 -0.193,599 -0.176,600 -0.255,601 -0.005,602 -0.238,603 -0.033,604 -0.213,605 -0.226,606 -0.282,607 -0.023,608 -0.29,609 -0.063,610 -0.06,611 -0.069,612 -0.083,613 -0.09,614 -0.079,615 2.727,616 6.164,617 0.848,618 22.498,619 1.011,620 1.112,621 2.064,622 4.261,623 0.698,624 3.714,625 4.22,626 4.718,627 5.204,628 5.635,629 6.038,630 6.441,631 6.798,632 7.076,633 7.337,634 4.824,635 0.679,636 439.5,637 3.714,638 5.371,639 6.347,640 7.349,641 8.351,642 9.363,643 10.374,644 11.39,645 12.405,646 13.422,647 5.6,651 6.432}
{0 CHEMBL2309609,1 1.495,2 10.884,3 5.28,4 27.873,5 161.613,6 7.818,7 0.588,8 4.432,9 4.533,10 4.067,11 4.023,12 5.496,13 4.016,14 5.025,15 5.167,16 4.544,17 4.493,18 6.056,19 4.483,20 5.333,21 5.485,22 4.773,23 4.738,24 6.359,25 4.721,26 5.534,27 5.691,28 4.914,29 4.904,30 6.564,31 4.88,32 5.692,33 5.865,34 4.973,35 5.013,36 6.721,37 4.969,38 5.784,39 5.982,40 4.947,41 5.063,42 6.789,43 4.989,44 5.803,45 6.024,46 4.802,47 5.003,48 6.787,49 4.902,50 5.655,51 5.887,52 4.571,53 4.828,54 6.63,55 4.71,56 0.025,57 1.045,58 13.58,59 6.639,60 11.439,61 8.089,62 0.432,63 1.864,64 28.35,65 11.59,66 33.192,67 14.33,68 0.591,69 2.488,70 40.031,71 16.026,72 47.117,73 19.605,74 0.59,75 3.015,76 49.661,77 19.899,78 68.572,79 24.119,80 0.87,81 3.522,82 59.91,83 23.293,84 83.434,85 28.77,86 0.845,87 3.793,88 68.123,89 27.096,90 96.013,91 34.924,92 0.914,93 3.759,94 73.598,95 28.599,96 122.862,97 37.189,98 0.723,99 3.236,100 64.383,101 24.864,102 97.084,103 32.687,104 27,105 81,106 0.226,107 0.55,108 0.729,109 0.82,110 0.857,111 0.873,112 3.789,113 0.868,114 -4.65,115 -4.57,116 -4.3,118 47.9,119 1,120 1,123 2,124 1,126 2,127 1,129 1,137 13,138 7,147 4,150 2,162 19,164 3,165 14,167 1,169 2,170 20,173 4,174 16,178 2,180 16,183 3,184 22,188 2,190 18,193 3,194 18,196 2,198 2,201 21,203 4,204 25,208 4,210 21,212 1,213 22,216 1,218 4,220 15,223 19,225 1,229 18,231 2,232 10,234 1,238 23,241 2814,242 29.799,243 29.799,244 29.799,245 29.799,246 29.799,247 26.304,248 30.079,249 16.787,250 30.356,251 25.135,252 25.135,253 25.135,254 25.135,255 25.135,256 19.497,257 44.101,258 7.85,259 25.984,260 4.695,261 2.551,262 1.37,263 0.766,264 0.524,265 0.415,266 4.529,270 1,271 1091,272 4.301,274 117.954,275 292.693,276 48.012,278 428.391,279 142.616,280 80.078,281 647.113,282 1.484,283 43.775,286 0.75,287 0.67,288 0.83,289 0.7,290 0.5,291 0.83,292 1,293 0.75,294 92,295 468,296 5.131,297 4.04,298 8.023,299 4.733,300 3.789,301 5.285,302 1.2,303 15.525,304 3.603,305 4.749,306 3.739,307 7.445,308 4.427,309 3.461,310 4.71,311 1.157,312 13.614,313 3.318,314 4.521,315 3.685,316 6.996,317 4.161,318 3.195,319 3.954,320 1.081,321 11.917,322 3.089,323 4.265,324 3.376,325 6.686,326 3.971,327 2.997,328 3.728,329 0.86,330 10.657,331 2.92,332 4.164,333 3.251,334 6.556,335 3.829,336 2.846,337 3.608,338 0.473,339 10.109,340 2.791,341 3.861,342 2.781,343 6.122,344 3.474,345 2.503,346 3.413,347 0.297,348 8.641,349 2.417,350 3.73,351 2.684,352 6.05,353 3.375,354 2.4,355 3.062,356 0.293,357 8.415,358 2.342,359 3.548,360 2.551,361 5.872,362 3.227,363 2.274,364 2.88,366 7.822,367 2.15,368 3.515,369 2.334,370 5.689,371 3.078,372 2.086,373 2.804,375 7.135,376 2.064,377 3.28,378 2.204,379 5.368,380 2.851,381 1.875,382 2.536,384 5.862,385 1.827,386 3.078,387 2.048,388 5.049,389 2.695,390 1.723,391 2.206,392 5.157,393 1.668,394 2.934,395 1.976,396 4.776,397 2.538,398 1.575,399 2.1,400 4.576,401 1.508,402 2.867,403 1.705,404 4.719,405 2.429,406 1.436,407 1.998,408 4.263,409 1.419,410 2.856,411 1.522,412 4.126,413 2.38,414 1.381,415 1.96,416 3.115,417 1.378,418 2.677,419 1.399,420 4.035,421 2.291,422 1.334,423 1.735,424 3.029,425 1.269,426 20.433,427 0.475,428 1.252,429 0.029,430 56.75,431 1.32,432 27,433 0.628,434 29.75,435 0.692,436 48.198,437 1.121,438 43.767,439 0.6,440 54.516,441 1.268,442 11.085,443 0.258,444 9.85,445 0.229,446 0.106,447 0.024,448 0.45,452 0.753,453 1.239,454 0.699,455 0.997,456 0.577,457 0.863,458 0.972,459 0.994,460 0.77,461 0.8,462 0.617,463 0.757,464 1.129,465 1.017,466 0.863,467 0.884,468 0.809,469 0.836,470 1.278,471 1.087,472 0.951,473 0.968,474 1.15,475 0.918,476 1.218,477 1.054,478 1.055,479 1.012,480 0.954,481 1.003,482 0.979,483 1.088,484 1.037,485 1.082,486 0.821,487 1.069,488 1.065,489 1.038,490 1.087,491 1.073,492 1.104,493 1.084,494 1.045,495 1.016,496 1.122,497 1.093,498 1.017,499 1.115,500 6.5,501 0.252,502 5.778,503 5.528,504 4.473,505 3.053,506 2.468,507 1.458,508 0.89,509 0.532,510 26543,511 63347,512 2.243,513 41.1,515 23,516 1,518 1,521 3,522 2,523 1.829,524 2.089,525 3.324,526 -0.438,531 109.126,532 1.495,533 3.639,534 4.82,535 5.424,536 5.666,537 5.775,538 2.751,539 5.101,540 5.395,541 3.484,542 3146.34,543 9.625,544 49138.1,549 451.857,550 1.534,551 5.355,552 0.127,553 0.006,554 0.071,555 0.055,556 0.039,557 0.026,558 0.022,559 0.015,560 0.012,561 0.009,562 0.384,563 0.33,564 0.75,565 0.613,566 234.301,567 -0.021,568 -0.151,569 0.081,570 -0.038,571 -0.053,572 0.023,573 0.058,574 0.098,575 0.112,576 0.141,577 0.011,578 0.134,579 0.013,580 0.047,581 0.054,582 0.064,583 -0.004,584 0.066,585 -0.099,586 -0.041,587 -0.018,588 -0.015,589 -0.088,590 -0.008,591 -0.056,592 -0.008,593 -0.101,594 -0.061,595 -0.031,596 -0.082,597 0.012,598 -0.087,599 -0.067,600 -0.104,601 0.032,602 -0.098,603 -0.039,604 -0.079,605 -0.072,606 -0.078,607 -0.027,608 -0.08,609 -0.071,610 -0.062,611 -0.098,612 -0.095,613 -0.036,614 -0.098,615 2.23,616 6.883,617 0.814,618 41.589,619 1.003,620 1.113,621 3.423,622 11.715,623 0.695,624 3.951,625 4.407,626 4.875,627 5.342,628 5.759,629 6.131,630 6.525,631 6.891,632 7.185,633 7.475,634 6.34,635 0.668,636 570.69,637 3.951,638 5.58,639 6.532,640 7.509,641 8.488,642 9.48,643 10.471,644 11.471,645 12.47,646 13.474,647 5.5,651 5}
{0 CHEMBL24828,1 1.715,2 12.633,3 5.087,4 25.882,5 118.666,6 8.804,7 0.515,8 4.096,9 4.21,10 3.809,11 3.624,12 5.183,13 3.608,14 4.654,15 4.831,16 4.207,17 4.022,18 5.692,19 3.985,20 4.896,21 5.087,22 4.303,23 4.185,24 5.942,25 4.112,26 5,27 5.239,28 4.249,29 4.119,30 5.993,31 4.028,32 4.9,33 5.149,34 4.082,35 4.02,36 5.885,37 3.947,38 4.725,39 4.904,40 4.108,41 4.046,42 5.806,43 3.985,44 4.877,45 5.093,46 4.17,47 4.064,48 5.938,49 3.991,50 4.807,51 5.035,52 4.136,53 4.001,54 5.805,55 3.888,56 0.058,57 0.853,58 9.037,59 4.983,60 7.077,61 6.16,62 0.356,63 1.361,64 21.772,65 8.436,66 26.488,67 10.434,68 0.51,69 1.694,70 35.268,71 11.548,72 40.534,73 14.399,74 0.653,75 1.701,76 43.941,77 12.799,78 59.27,79 16.162,80 0.799,81 1.495,82 35.628,83 10.733,84 59.961,85 14.498,86 0.337,87 1.441,88 25.124,89 9.744,90 30.079,91 12.223,92 0.614,93 1.604,94 31.754,95 10.393,96 58.941,97 13.134,98 0.6,99 1.394,100 30.973,101 10.363,102 50.053,103 13.272,104 18,105 46,106 0.284,107 0.627,108 0.815,109 0.857,110 0.857,111 0.857,112 3.44,113 0.972,114 -5,115 -4.9,116 -4.6,117 1,118 40.7,120 2,121 1,123 2,124 3,137 5,138 1,139 5,141 1,142 1,143 1,162 4,164 1,165 8,167 1,169 2,170 5,173 1,174 8,178 3,180 3,183 1,184 3,186 1,188 1,190 2,193 3,194 3,196 1,198 1,201 6,203 1,204 4,206 1,210 6,213 7,220 5,222 1,223 5,227 1,229 1,231 1,232 6,236 2,238 1,241 1484,242 20.334,243 20.334,244 20.334,245 20.334,246 20.334,247 18.245,248 25.914,249 11.895,250 21.132,251 16.224,252 16.224,253 16.224,254 16.224,255 16.224,256 13.028,257 33.11,258 5.597,259 17.491,260 4.04,261 1.974,262 0.836,263 0.584,264 0.584,265 0.584,266 4.138,269 1,270 1,271 819,272 3,275 348.882,279 134.1,282 2.233,283 30.309,286 1,287 0.83,288 1,289 0.8,290 0.5,291 1,292 1,293 0.88,294 65.25,295 379,296 4.577,297 3.313,298 6.59,299 4.104,300 3.14,301 4.513,302 0.86,303 10.547,304 3.026,305 4.234,306 3.216,307 6.11,308 3.801,309 2.862,310 3.883,311 0.86,312 8.93,313 2.672,314 3.982,315 2.915,316 5.997,317 3.611,318 2.661,319 3.488,320 0.8,321 8.482,322 2.542,323 3.609,324 2.799,325 5.409,326 3.515,327 2.568,328 2.875,329 0.4,330 7.143,331 2.41,332 3.511,333 2.673,334 5.198,335 3.04,336 2.153,337 2.699,339 6.281,340 1.941,341 3.362,342 2.419,343 4.937,344 3.024,345 2.096,346 2.613,348 5.707,349 1.905,350 3.116,351 2.205,352 4.89,353 2.861,354 1.952,355 2.242,357 5.661,358 1.659,359 2.99,360 2.025,361 4.529,362 2.534,363 1.615,364 2.087,366 4.533,367 1.464,368 2.833,369 1.708,370 4.133,371 2.359,372 1.417,373 1.965,375 3.629,376 1.323,377 2.678,378 1.47,379 3.903,380 2.238,381 1.34,382 1.732,384 3.135,385 1.195,386 2,387 1.099,388 3.414,389 1.984,390 1,391 1,392 2.275,393 0.983,394 1.955,395 1.077,396 3.32,397 1.667,398 0.754,399 0.877,400 1.833,401 0.678,402 1.692,403 0.971,404 3.08,405 1.434,406 0.553,407 0.608,408 1.132,409 0.478,410 1.551,411 0.682,412 2.844,413 1.186,414 0.308,415 0.373,416 0.625,417 0.25,418 1.121,419 0.23,420 2.683,421 0.85,422 -0.085,423 -0.091,424 -0.18,425 -0.078,426 14.886,427 0.496,428 0.729,429 0.024,430 37.5,431 1.25,432 17.5,433 0.583,434 20,435 0.667,436 28.331,437 0.944,438 32.514,439 0.602,440 27.054,441 0.902,442 7.11,443 0.237,444 7.419,445 0.247,446 0.176,448 0.329,451 1,452 0.754,453 1.279,454 0.508,455 0.997,456 0.576,457 0.951,458 1.046,459 0.917,460 0.585,461 0.751,462 0.653,463 0.796,464 0.926,465 1.124,466 0.889,467 1.07,468 0.799,469 1.065,470 1.022,471 1.025,472 0.635,473 0.948,474 0.935,475 0.96,476 0.927,477 0.675,478 0.343,479 0.601,480 0.73,481 0.688,482 0.887,483 1.163,484 0.625,485 1.044,486 0.782,487 1.063,488 1.274,489 1.001,490 0.571,491 0.854,492 1.163,493 0.959,494 0.933,495 0.935,496 0.725,497 0.89,498 0.809,499 1.007,500 6.5,501 0.148,502 3.556,503 1.5,504 2.053,505 0.958,506 0.647,507 0.592,508 0.431,509 0.214,510 12191,511 34433,512 2.087,513 44.4,515 17,517 1,518 1,520 5,523 1.728,524 1.957,525 3.589,526 -0.316,531 92.617,532 1.715,533 3.781,534 4.919,535 5.171,536 5.171,537 5.171,538 3.095,539 4.282,540 4.873,541 3.754,542 1632.89,543 8.504,544 22764.7,549 310.764,550 1.4,551 4.839,552 0.197,553 0.007,554 0.077,555 0.031,556 0.05,557 0.023,558 0.015,559 0.015,560 0.013,561 0.008,562 0.437,563 0.33,564 0.88,565 0.715,566 154.829,567 -0.037,568 -0.203,569 0.01,570 -0.088,571 -0.007,572 -0.023,573 -0.104,574 0.085,575 0.031,576 0.134,577 0.039,578 0.121,579 0.025,580 -0.119,581 -0.05,582 -0.115,583 0.066,584 -0.107,585 0.011,586 -0.089,587 0.051,588 -0.045,589 0.034,590 0.005,591 0.12,592 0.188,593 0.104,594 0.232,595 0.093,596 0.261,597 0.017,598 -0.167,599 -0.035,600 -0.135,601 0.04,602 -0.112,603 -0.132,604 0.013,605 0.007,606 0.016,607 -0.076,608 -0.033,609 0.026,610 -0.014,611 0.033,612 0.025,613 0.012,614 -0.047,615 2.041,616 6.264,617 0.733,618 33.431,619 1.01,620 1.133,621 3.771,622 14.22,623 0.678,624 3.526,625 3.85,626 4.111,627 4.357,628 4.644,629 4.7,630 4.796,631 4.963,632 5.124,633 5.153,634 7.163,635 0.643,636 475.4,637 3.526,638 5.069,639 5.916,640 6.79,641 7.656,642 8.534,643 9.408,644 10.289,645 11.167,646 12.051,647 7.4,650 1,651 5}
{0 CHEMBL249697,1 1.437,2 7.316,3 1.761,4 3.1,5 76.664,6 7.093,7 0.714,8 3.69,9 3.839,10 3.224,11 3.19,12 4.767,13 3.172,14 4.205,15 4.411,16 3.589,17 3.567,18 5.202,19 3.531,20 4.386,21 4.615,22 3.648,23 3.681,24 5.395,25 3.624,26 4.446,27 4.695,28 3.586,29 3.681,30 5.378,31 3.609,32 4.341,33 4.568,34 3.465,35 3.618,36 5.314,37 3.534,38 4.36,39 4.611,40 3.224,41 3.548,42 5.303,43 3.415,44 4.271,45 4.552,46 2.73,47 3.342,48 5.081,49 3.119,50 4.082,51 4.442,52 2.203,53 2.933,54 4.749,55 2.65,56 0.039,57 0.587,58 7.979,59 2.761,60 7.893,61 4.178,62 0.141,63 0.905,64 14.364,65 4.628,66 14.081,67 7.141,68 0.278,69 1.037,70 17.776,71 5.514,72 24.113,73 8.461,74 0.179,75 1.047,76 19.171,77 5.597,78 21.424,79 9.019,80 0.184,81 0.966,82 16.879,83 5.178,84 20.287,85 8.103,86 0.242,87 0.914,88 17.665,89 5.385,90 25.449,91 8.387,92 0.123,93 0.74,94 16.434,95 5.646,96 19.862,97 8.709,98 0.137,99 0.509,100 14.76,101 4.658,102 20.489,103 7.463,104 13,105 30,106 0.261,107 0.653,108 0.786,109 0.86,110 0.86,111 0.86,112 3.013,113 0.913,114 -2.81,115 -2.82,116 -2.73,118 38.9,119 2,124 2,137 3,138 1,140 1,141 1,142 1,147 2,153 1,155 1,156 1,157 1,162 4,164 1,165 3,167 1,170 4,173 2,174 5,176 2,177 1,179 1,180 2,184 4,188 1,190 1,194 4,195 1,196 1,198 3,201 2,204 2,205 2,206 2,208 1,210 2,218 2,221 1,227 3,230 3,236 1,240 1,241 358,242 12.939,243 12.939,244 12.939,245 12.939,246 12.939,247 11.187,248 12.293,249 7.685,250 13.229,251 10.341,252 10.341,253 10.341,254 10.341,255 10.341,256 7.647,257 14.709,258 3.61,259 10.859,260 3.733,261 1.576,262 0.841,263 0.431,264 0.431,265 0.431,266 3.69,268 1,269 1,270 1,271 296,272 2.55,274 28.063,275 70.074,278 51.709,279 59.623,282 1.208,283 11.761,285 1,286 1,287 1,288 1,289 0.8,290 0.5,291 1,292 1,293 0.9,294 40.5,295 139,296 4.786,297 3.354,298 6.991,299 4.251,300 3.312,301 4.874,302 0.4,303 11.909,304 3.111,305 4.078,306 2.707,307 6.007,308 3.594,309 2.62,310 3.81,312 8.489,313 2.547,314 3.766,315 2.562,316 5.683,317 3.331,318 2.395,319 3.245,321 7.507,322 2.241,323 3.47,324 2.232,325 4.957,326 3.054,327 2.07,328 2.848,330 5.788,331 2.034,332 3.011,333 1.764,334 4.602,335 2.535,336 1.573,337 2.238,339 4.435,340 1.511,341 2.685,342 1.614,343 4.164,344 2.463,345 1.515,346 1.722,348 3.518,349 1.433,350 2.353,351 1.213,352 3.691,353 2.02,354 1.083,355 1.329,357 2.338,358 1.012,359 2.33,360 0.835,361 3.385,362 1.776,363 0.832,364 1.246,366 2.164,367 0.784,368 1.567,369 0.603,370 2.86,371 1.269,372 0.345,373 0.397,375 0.647,376 0.318,377 1.128,378 0.14,379 2.632,380 0.842,381 -0.11,382 -0.133,384 -0.219,385 -0.104,386 0.994,387 -0.179,388 2.344,389 0.555,390 -0.4,391 -0.522,392 -1.034,393 -0.381,394 0.575,395 -0.498,396 2.288,397 0.218,398 -0.737,399 -0.87,400 -1.65,401 -0.703,402 0.439,403 -0.809,404 2,405 0.066,406 -0.916,407 -1.245,408 -2.54,409 -0.896,410 0.13,411 -1.011,412 1.818,413 -0.204,414 -1.164,415 -1.381,416 -2.702,417 -1.116,418 -0.011,419 -1.169,420 1.478,421 -0.287,422 -1.265,423 -1.761,424 -3.54,425 -1.233,426 9,427 0.474,428 0.469,429 0.025,430 25.5,431 1.342,432 12.5,433 0.658,434 13,435 0.684,436 13.699,437 0.721,438 20.4,439 0.567,440 16.112,441 0.848,442 5.03,443 0.265,444 4.173,445 0.22,446 0.156,448 0.378,452 1.113,453 1.453,454 0.855,455 1.086,456 1.211,457 0.96,458 0.936,459 1.179,460 0.767,461 0.929,462 0.815,463 0.842,464 0.988,465 0.882,466 0.914,467 0.865,468 0.84,469 0.877,470 1.231,471 1.109,472 0.933,473 0.908,474 0.972,475 0.885,476 1.295,477 1.12,478 1.167,479 1.087,480 0.894,481 1.106,482 1.327,483 0.962,484 1.374,485 1.16,486 1.207,487 1.255,488 0.85,489 1.2,490 1.306,491 1.436,492 1.055,493 1.433,494 0.595,495 0.749,496 0.823,497 0.876,498 0.826,499 0.88,500 3.5,502 2.222,503 1.375,504 1.454,505 0.656,506 0.418,507 0.174,508 0.057,509 0.036,510 2834,511 6570,512 2.081,513 47.2,514 3,515 7,517 1,518 3,519 3,523 1.611,524 1.932,525 2.825,526 1.148,528 1,529 1,531 51.718,532 1.437,533 3.594,534 4.329,535 4.739,536 4.739,537 4.739,538 2.479,539 3.827,540 4.213,541 2.931,542 501.252,543 7.219,544 4721,545 1,546 1,548 1,549 186.117,550 1.462,551 4.171,552 0.167,554 0.074,555 0.044,556 0.05,557 0.026,558 0.023,559 0.019,560 0.011,561 0.018,562 0.433,563 0.67,564 1,565 1.315,566 79.957,567 -0.109,568 -0.209,569 0.048,570 -0.032,571 -0.217,572 0.019,573 0.126,574 -0.054,575 0.181,576 0.071,577 0.063,578 0.124,579 0.179,580 0.219,581 0.055,582 0.096,583 0.072,584 0.064,585 -0.146,586 -0.077,587 0.041,588 0.052,589 -0.075,590 0.069,591 -0.202,592 -0.031,593 -0.214,594 -0.116,595 -0.036,596 -0.158,597 -0.233,598 0.075,599 -0.411,600 -0.21,601 -0.202,602 -0.315,603 -0.11,604 -0.311,605 -0.358,606 -0.435,607 -0.137,608 -0.43,609 0.116,610 -0.049,611 0.189,612 0.085,613 0.185,614 0.137,615 0.931,616 1.645,617 0.684,618 12.554,619 0.995,620 1.138,621 1.582,622 2.504,623 0.655,624 3.091,625 3.434,626 3.761,627 4.111,628 4.394,629 4.511,630 4.625,631 4.718,632 4.635,633 4.419,634 4.312,635 0.619,636 255.36,637 3.091,638 4.635,639 5.509,640 6.418,641 7.324,642 8.245,643 9.162,644 10.086,645 11.007,646 11.933,647 13.9,648 1,651 5}
{0 CHEMBL255863,1 1.716,2 14.769,3 5.084,4 25.849,5 140.252,6 8.681,7 0.674,8 4.236,9 4.35,10 3.921,11 3.781,12 5.478,13 3.8,14 4.739,15 4.893,16 4.349,17 4.15,18 6.333,19 4.161,20 4.908,21 5.077,22 4.326,23 4.265,24 6.178,25 4.25,26 5.037,27 5.246,28 4.309,29 4.247,30 6.287,31 4.228,32 5.006,33 5.216,34 4.393,35 4.231,36 6.329,37 4.226,38 4.99,39 5.176,40 4.366,41 4.232,42 6.37,43 4.24,44 5.048,45 5.25,46 4.376,47 4.214,48 6.634,49 4.208,50 4.881,51 5.068,52 4.22,53 4.165,54 6.205,55 4.141,56 0.17,57 1.169,58 8.678,59 4.973,60 20.21,61 5.501,62 0.955,63 2.17,64 18.501,65 8.284,66 141.288,67 9.406,68 0.491,69 2.047,70 21.562,71 9.741,72 36.543,73 11.338,74 0.855,75 2.22,76 30.557,77 11.422,78 98.132,79 13.327,80 1.003,81 2.211,82 29.88,83 10.502,84 81.361,85 13.362,86 0.867,87 2.306,88 26.91,89 10.516,90 89.115,91 11.17,92 1.472,93 2.324,94 32.789,95 11.889,96 229.403,97 13.493,98 0.573,99 1.98,100 23.789,101 10.394,102 53.249,103 12.151,104 38,105 62,106 0.271,107 0.601,108 0.777,109 0.884,110 0.9,111 0.9,112 3.693,113 0.824,114 -4.91,115 -4.82,116 -4.52,118 45.9,119 2,130 1,137 9,138 4,139 3,140 3,141 2,145 1,146 1,150 1,152 1,162 9,164 2,165 9,167 3,169 5,170 10,174 6,178 6,180 6,183 1,184 13,186 1,188 5,190 4,194 10,196 1,197 1,198 2,201 7,203 2,204 7,206 2,208 2,210 10,212 2,213 2,216 2,218 3,220 14,222 1,223 4,227 1,229 11,232 13,234 1,236 3,238 7,241 3094,242 25.814,243 25.814,244 25.814,245 25.814,246 25.814,247 22.293,248 30.805,249 15.035,250 26.516,251 21.272,252 21.272,253 21.272,254 21.272,255 21.272,256 15.941,257 46.278,258 7.232,259 22.486,260 4.215,261 2.125,262 1.009,263 0.332,264 0.234,265 0.234,266 4.393,270 1,271 1254,272 4.062,274 114.279,275 548.768,282 2.26,283 57.195,286 0.75,287 0.83,288 0.83,289 0.5,291 0.83,292 1,293 0.68,294 87,295 576,296 4.516,297 4.461,298 7.125,299 4.212,300 3.338,301 4.104,302 3.825,303 11.744,304 2.993,305 4.341,306 3.578,307 6.23,308 3.965,309 2.986,310 3.987,311 1.058,312 9.365,313 2.921,314 4.247,315 3.065,316 6.194,317 3.853,318 2.904,319 3.889,320 0.4,321 9.271,322 2.802,323 4.213,324 3.035,325 6.156,326 3.814,327 2.867,328 3.686,330 9.107,331 2.624,332 3.94,333 2.856,334 5.884,335 3.599,336 2.624,337 3.318,339 8.158,340 2.555,341 3.765,342 2.59,343 5.369,344 3.341,345 2.389,346 3.207,348 7.021,349 2.252,350 3.687,351 2.418,352 5.267,353 3.229,354 2.28,355 3.079,357 6.633,358 2.147,359 3.38,360 2.249,361 4.994,362 3,363 2.039,364 2.664,366 5.878,367 1.957,368 3.207,369 1.888,370 4.546,371 2.733,372 1.775,373 2.493,375 4.537,376 1.698,377 2.882,378 1.829,379 4.413,380 2.451,381 1.521,382 2.009,384 4.415,385 1.398,386 2.854,387 1.804,388 4.165,389 2.412,390 1.441,391 1.972,392 3.71,393 1.387,394 2.715,395 1.54,396 4.08,397 2.225,398 1.24,399 1.806,400 3.324,401 1.209,402 2.709,403 1.262,404 3.993,405 2.206,406 1.212,407 1.72,408 3.127,409 1.196,410 2.566,411 1.23,412 3.541,413 2.074,414 1.119,415 1.592,416 2.791,417 1.062,418 2.5,419 1,420 3.429,421 1.961,422 1,423 1.5,424 2.387,425 0.958,426 17.99,427 0.461,428 1.192,429 0.031,430 56.75,431 1.455,432 30.5,433 0.782,434 26.25,435 0.673,436 30.899,437 0.792,438 40.81,439 0.669,440 50.805,441 1.303,442 11.496,443 0.295,444 7.156,445 0.183,446 0.122,447 0.028,448 0.328,450 3,452 0.624,453 1.087,454 0.632,455 1.01,456 0.588,457 0.869,458 0.46,459 0.785,460 0.665,461 0.88,462 0.388,463 0.848,464 0.76,465 1.049,466 0.956,467 1.154,468 0.62,469 1.121,470 1.06,471 1.016,472 1.05,473 1.021,474 1.025,475 1.022,476 0.706,477 0.779,478 0.767,479 0.854,480 0.79,481 0.838,482 1.259,483 1.119,484 1.112,485 1.034,486 1.253,487 1.017,488 1.072,489 0.938,490 1,491 0.903,492 1.176,493 0.93,494 0.878,495 1.073,496 0.946,497 1.157,498 0.837,499 1.102,500 10,501 0.33,502 4.444,503 2.535,504 2.388,505 1.514,506 1.2,507 0.895,508 0.468,509 0.398,510 25702,511 83160,512 2.073,513 36.1,514 3,515 9,516 1,517 4,518 2,519 3,523 1.794,524 1.926,525 3.82,526 0.187,531 104.655,532 1.716,533 3.806,534 4.922,535 5.599,536 5.697,537 5.697,538 3.234,539 4.888,540 5.259,541 4.011,542 2972.38,543 9.274,544 51240.4,549 361.775,550 1.568,551 5.205,552 0.233,553 0.008,554 0.072,555 0.042,556 0.041,557 0.024,558 0.02,559 0.015,560 0.009,561 0.008,562 0.471,563 0.17,564 0.75,565 0.686,566 219.503,567 -0.056,568 -0.147,569 0.029,570 -0.055,571 -0.102,572 -0.001,573 0.39,574 0.249,575 0.144,576 0.076,577 0.408,578 0.039,579 -0.096,580 -0.186,581 -0.141,582 -0.208,583 -0.017,584 -0.191,585 -0.136,586 -0.088,587 -0.079,588 -0.057,589 -0.117,590 -0.047,591 0.158,592 0.088,593 0.199,594 0.091,595 0.048,596 0.133,597 -0.171,598 -0.056,599 -0.175,600 -0.078,601 -0.154,602 -0.107,603 0.178,604 0.118,605 0.042,606 0.097,607 0.187,608 0.041,609 -0.045,610 -0.177,611 -0.032,612 -0.162,613 0.021,614 -0.111,615 5.851,616 6.105,617 0.744,618 46.154,619 1.025,620 1.139,621 3.679,622 13.535,623 0.691,624 3.784,625 4.143,626 4.369,627 4.615,628 4.868,629 4.927,630 5.088,631 5.176,632 5.273,633 5.323,634 8.641,635 0.685,636 529.57,637 3.784,638 5.352,639 6.196,640 7.083,641 7.946,642 8.831,643 9.701,644 10.586,645 11.46,646 12.344,647 11.5,651 5}
{0 CHEMBL259084,1 1.805,2 12.382,3 6.167,4 38.036,5 123.999,6 9.732,7 0.632,8 4.038,9 4.122,10 3.816,11 3.667,12 5.347,13 3.681,14 4.508,15 4.617,16 4.228,17 4.057,18 5.92,19 4.061,20 4.792,21 4.932,22 4.383,23 4.222,24 6.131,25 4.224,26 4.87,27 5.039,28 4.381,29 4.18,30 6.355,31 4.184,32 4.817,33 4.98,34 4.353,35 4.193,36 6.118,37 4.187,38 4.846,39 5.019,40 4.384,41 4.181,42 6.209,43 4.165,44 4.792,45 4.977,46 4.335,47 4.091,48 6.219,49 4.054,50 4.613,51 4.797,52 4.07,53 3.902,54 6.046,55 3.858,56 0.191,57 0.819,58 4.764,59 3.856,60 24.096,61 3.682,62 0.415,63 1.332,64 8.932,65 6.355,66 53.058,67 6.425,68 0.585,69 1.774,70 17.729,71 8.989,72 73.495,73 8.972,74 1.019,75 2.073,76 21.224,77 9.337,78 133.233,79 9.046,80 0.701,81 1.794,82 18.749,83 9.09,84 97.64,85 9.039,86 0.853,87 1.966,88 20.823,89 9.764,90 104.276,91 9.633,92 0.951,93 1.667,94 27.385,95 10.125,96 113.46,97 10.879,98 0.83,99 1.414,100 22.3,101 8.175,102 96.873,103 9.093,104 27,105 55,106 0.297,107 0.632,108 0.764,109 0.856,110 0.865,111 0.865,112 3.561,113 0.832,114 -5.59,115 -5.46,116 -5.09,118 51,124 1,137 10,138 5,139 4,140 1,141 1,145 1,149 1,150 1,159 1,161 1,162 10,163 1,164 1,165 7,167 3,169 3,170 15,171 2,174 6,178 4,180 11,181 2,183 2,184 12,188 5,190 7,194 10,198 2,199 1,201 7,204 6,206 2,207 1,208 2,210 11,213 2,214 2,218 1,220 14,222 2,223 6,225 2,227 1,229 12,232 3,236 2,238 8,239 2,241 2032,242 22.878,243 22.878,244 22.878,245 22.878,246 22.878,247 19.557,248 25.112,249 13.193,250 23.346,251 18.738,252 18.738,253 18.738,254 18.738,255 18.738,256 13.783,257 35.76,258 6.247,259 19.613,260 3.81,261 1.781,262 0.979,263 0.424,264 0.367,265 0.367,266 4.268,267 1,270 1,271 921,272 3.162,275 329.203,276 77.306,280 253.799,282 1.934,283 55.089,286 0.75,287 0.83,288 1,289 0.4,291 1,292 1,293 0.71,294 75.333,295 421,296 4.647,297 3.576,298 6.978,299 4.274,300 3.296,301 4.341,302 1.437,303 11.854,304 3.224,305 4.372,306 3.498,307 6.595,308 3.967,309 3.002,310 4.046,311 0.795,312 10.436,313 2.892,314 4.174,315 3.203,316 5.962,317 3.788,318 2.797,319 3.769,320 0.4,321 8.375,322 2.77,323 4.032,324 2.936,325 5.929,326 3.589,327 2.637,328 3.635,330 8.223,331 2.503,332 3.754,333 2.779,334 5.516,335 3.394,336 2.433,337 3.106,339 7.402,340 2.334,341 3.574,342 2.6,343 5.204,344 3.075,345 2.159,346 2.925,348 6.067,349 1.982,350 3.423,351 2.592,352 4.985,353 2.96,354 2.012,355 2.74,357 5.881,358 1.894,359 3.329,360 2.342,361 4.968,362 2.925,363 1.988,364 2.585,366 5.772,367 1.765,368 3.232,369 2.23,370 4.841,371 2.787,372 1.879,373 2.481,375 5.104,376 1.678,377 2.81,378 1.817,379 4.262,380 2.347,381 1.355,382 1.948,384 3.529,385 1.341,386 2.76,387 1.379,388 3.904,389 2.245,390 1.247,391 1.762,392 2.955,393 1.224,394 2.605,395 1.288,396 3.779,397 2.058,398 1.104,399 1.633,400 2.874,401 1.046,402 2.578,403 1.166,404 3.724,405 2.028,406 1.084,407 1.567,408 2.665,409 1.011,410 2.5,411 1,412 3.414,413 2,414 1,415 1.5,416 2.275,417 1,418 1.744,419 0.973,420 3.208,421 1.47,422 0.538,423 0.623,424 1.345,425 0.494,426 16.052,427 0.472,428 0.942,429 0.028,430 49.75,431 1.463,432 27.5,433 0.809,434 22.25,435 0.654,436 26.121,437 0.768,438 34.348,439 0.701,440 42.534,441 1.251,442 10.152,443 0.299,444 6.25,445 0.184,446 0.122,448 0.405,451 2,452 0.648,453 0.908,454 0.538,455 0.79,456 0.614,457 0.726,458 0.571,459 0.913,460 0.627,461 0.879,462 0.522,463 0.862,464 0.921,465 1.168,466 0.923,467 1.059,468 0.839,469 0.995,470 0.955,471 0.944,472 0.902,473 0.896,474 0.886,475 0.943,476 0.953,477 1.075,478 0.837,479 0.918,480 0.899,481 0.938,482 1.131,483 1.213,484 1.032,485 0.978,486 1.105,487 1.019,488 0.868,489 0.99,490 1.131,491 1.052,492 0.822,493 1.027,494 0.815,495 0.892,496 1.255,497 1.079,498 0.85,499 1.124,500 7,501 0.273,502 4.222,503 2.813,504 2.367,505 1.295,506 1.246,507 0.642,508 0.359,509 0.233,510 16087,511 58975,512 2.109,513 30.6,515 12,517 1,518 2,523 1.763,524 1.962,525 3.522,526 0.206,531 88.421,532 1.805,533 3.834,534 4.636,535 5.191,536 5.247,537 5.247,538 3.069,539 4.536,540 5.053,541 3.736,542 2095.78,543 8.88,544 30760.9,549 275.121,550 1.449,551 5.014,552 0.184,553 0.01,554 0.077,555 0.045,556 0.039,557 0.022,558 0.022,559 0.013,560 0.009,561 0.008,562 0.43,563 0.17,564 0.63,565 0.706,566 179.981,567 -0.07,568 -0.037,569 -0.005,570 0.044,571 -0.081,572 0.049,573 0.073,574 -0.007,575 0.008,576 -0.023,577 0.078,578 -0.043,579 -0.119,580 -0.196,581 -0.096,582 -0.142,583 -0.069,584 -0.097,585 0.007,586 0.097,587 -0.058,588 0.022,589 0.047,590 -0.028,591 -0.127,592 -0.11,593 -0.015,594 0.004,595 -0.107,596 -0.003,597 -0.105,598 -0.05,599 -0.048,600 -0.002,601 -0.127,602 -0.064,603 0.095,604 -0.002,605 0.114,606 -0.014,607 0.08,608 0.034,609 0.145,610 0.096,611 -0.073,612 -0.063,613 0.048,614 -0.088,615 2.69,616 6.647,617 0.794,618 37.311,619 1.033,620 1.121,621 4.358,622 18.992,623 0.735,624 3.664,625 4.025,626 4.331,627 4.635,628 4.934,629 5.1,630 5.283,631 5.468,632 5.628,633 5.79,634 7.157,635 0.731,636 476.89,637 3.664,638 5.231,639 6.103,640 7.002,641 7.892,642 8.798,643 9.697,644 10.606,645 11.51,646 12.421,647 8.2,651 5}
{0 CHEMBL261849,1 1.588,2 12.778,3 3.127,4 9.779,5 106.122,6 7.479,7 0.621,8 3.994,9 4.11,10 3.552,11 3.474,12 5.177,13 3.477,14 4.473,15 4.635,16 3.859,17 3.811,18 5.61,19 3.797,20 4.61,21 4.764,22 3.924,23 3.939,24 5.724,25 3.903,26 4.754,27 4.963,28 3.786,29 3.943,30 5.791,31 3.858,32 4.764,33 5.007,34 3.693,35 3.901,36 5.695,37 3.8,38 4.633,39 4.857,40 3.695,41 3.83,42 5.638,43 3.746,44 4.618,45 4.854,46 3.676,47 3.765,48 5.626,49 3.681,50 4.53,51 4.751,52 3.531,53 3.647,54 5.563,55 3.56,56 0.069,57 0.705,58 10.086,59 4.218,60 12.468,61 5.389,62 0.345,63 1.035,64 18.562,65 7.05,66 31.217,67 8.841,68 0.307,69 1.2,70 20.517,71 7.862,72 27.304,73 10.287,74 0.384,75 1.288,76 25.704,77 9.14,78 45.5,79 12.349,80 0.426,81 1.239,82 27.512,83 9.309,84 43.763,85 12.999,86 0.384,87 1.141,88 23.149,89 8.032,90 36.626,91 11.286,92 0.387,93 1.072,94 23.357,95 8.165,96 37.643,97 11.531,98 0.442,99 0.961,100 21.488,101 7.238,102 39.423,103 9.947,104 21,105 39,106 0.269,107 0.587,108 0.734,109 0.816,110 0.842,111 0.862,112 3.339,113 0.867,114 -3.7,115 -3.67,116 -3.49,118 40.8,120 1,123 2,124 1,137 7,138 3,139 3,140 1,142 1,145 1,155 2,156 2,157 2,162 9,164 1,165 7,166 3,167 3,169 1,170 9,172 1,173 1,174 10,178 1,180 6,182 1,184 8,185 1,186 1,187 1,188 2,189 2,190 2,191 2,192 1,194 7,198 3,201 4,202 3,203 1,204 5,208 2,210 7,211 2,212 2,213 2,215 1,216 1,218 2,220 7,221 2,222 2,223 1,224 1,225 1,227 1,229 5,230 1,231 1,232 2,233 1,234 1,238 4,241 1177,242 18.342,243 18.342,244 18.342,245 18.342,246 18.342,247 16.066,248 26.546,249 10.789,250 18.986,251 14.17,252 14.17,253 14.17,254 14.17,255 14.17,256 10.706,257 34.768,258 4.976,259 15.025,260 4.027,261 2.146,262 1.279,263 0.796,264 0.643,265 0.521,266 4.022,268 1,269 1,270 1,271 729,272 3,275 299.479,282 2.173,283 22.907,285 1,286 1,287 1,288 1,289 0.6,290 0.5,291 1,292 1,293 0.87,294 59,295 345,296 4.308,297 3.258,298 6.188,299 3.914,300 2.951,301 3.955,302 1.151,303 9.236,304 2.848,305 4.199,306 3.074,307 6.074,308 3.771,309 2.825,310 3.841,311 0.86,312 8.785,313 2.669,314 4.031,315 2.904,316 5.48,317 3.614,318 2.641,319 3.633,320 0.86,321 7.336,322 2.572,323 3.6,324 2.65,325 5.25,326 3.235,327 2.288,328 2.928,329 0.68,330 6.652,331 2.16,332 3.472,333 2.507,334 5.104,335 3.116,336 2.17,337 2.76,339 6.253,340 2.042,341 3.357,342 2.168,343 4.915,344 2.935,345 1.993,346 2.655,348 5.633,349 1.866,350 2.919,351 2.109,352 4.388,353 2.519,354 1.604,355 2.058,357 4.222,358 1.46,359 2.823,360 1.567,361 4.125,362 2.351,363 1.417,364 1.952,366 3.648,367 1.319,368 2.5,369 1.311,370 3.414,371 2,372 1,373 1.5,375 2.275,376 1,377 2.083,378 1.014,379 3.319,380 1.783,381 0.876,382 1.022,384 1.972,385 0.785,386 1.737,387 1,388 3.057,389 1.45,390 0.562,391 0.639,392 1.036,393 0.493,394 1.61,395 0.936,396 2.871,397 1.318,398 0.415,399 0.473,400 0.799,401 0.369,402 1.509,403 0.656,404 2.654,405 1.224,406 0.336,407 0.388,408 0.568,409 0.299,410 1.098,411 0.255,412 2.39,413 0.773,414 -0.16,415 -0.19,416 -0.33,417 -0.147,418 0.802,419 -0.133,420 2.358,421 0.433,422 -0.506,423 -0.615,424 -1.081,425 -0.464,426 12.6,427 0.467,428 0.588,429 0.022,430 38,431 1.407,432 20.5,433 0.759,434 17.5,435 0.648,436 18.751,437 0.694,438 29.4,439 0.6,440 28.244,441 1.046,442 7.932,443 0.294,444 5.152,445 0.191,446 0.143,448 0.317,452 0.994,453 1.249,454 0.814,455 1.105,456 1.167,457 0.943,458 1.252,459 0.802,460 0.86,461 0.848,462 0.833,463 0.809,464 1.065,465 1.268,466 1.058,467 1.233,468 0.911,469 1.158,470 1.114,471 1.057,472 1.162,473 1.178,474 1.069,475 1.182,476 1.095,477 0.914,478 1.002,479 0.926,480 1.012,481 0.951,482 0.873,483 1.021,484 0.978,485 1.024,486 0.923,487 1.017,488 0.761,489 0.957,490 0.824,491 1.001,492 0.638,493 0.944,494 1.102,495 1.002,496 1.04,497 1.047,498 0.96,499 1.052,500 6,501 0.144,502 2.889,503 1.25,504 1.529,505 0.764,506 0.505,507 0.438,508 0.271,509 0.172,510 9435,511 26932,512 2.035,513 44.9,514 2,515 15,517 1,518 4,523 1.697,524 1.906,525 3.607,526 1.698,527 1,528 1,531 77.82,532 1.588,533 3.469,534 4.336,535 4.818,536 4.972,537 5.094,538 3.115,539 4.403,540 4.722,541 3.779,542 1326.57,543 8.178,544 17729,546 1,548 1,549 275.121,550 1.399,551 4.685,552 0.207,553 0.008,554 0.074,555 0.031,556 0.046,557 0.025,558 0.016,559 0.015,560 0.011,561 0.009,562 0.442,563 0.17,564 1,565 0.862,566 136.523,567 -0.098,568 -0.053,569 0.034,570 -0.038,571 -0.21,572 0.022,573 -0.056,574 0.259,575 0.084,576 0.18,577 0.093,578 0.151,579 -0.036,580 -0.181,581 -0.151,582 -0.197,583 -0.046,584 -0.192,585 -0.115,586 -0.055,587 -0.205,588 -0.181,589 -0.108,590 -0.206,591 -0.127,592 0.011,593 -0.011,594 0.069,595 -0.108,596 0.052,597 0.02,598 -0.035,599 -0.018,600 -0.026,601 -0.025,602 -0.024,603 0.162,604 -0.024,605 0.159,606 0.001,607 0.221,608 0.064,609 0.044,610 -0.072,611 -0.038,612 -0.059,613 0.031,614 -0.072,615 1.504,616 2.401,617 0.667,618 28.571,619 1.007,620 1.13,621 2.474,622 6.123,623 0.658,624 3.401,625 3.689,626 3.912,627 4.094,628 4.317,629 4.29,630 4.331,631 4.431,632 4.543,633 4.595,634 7.249,635 0.632,636 366.46,637 3.401,638 4.92,639 5.746,640 6.597,641 7.438,642 8.29,643 9.136,644 9.989,645 10.838,646 11.692,647 8.2,651 5}
{0 CHEMBL278041,1 1.58,2 9.16,3 4.187,4 17.527,5 93.158,6 8.497,7 0.821,8 3.793,9 3.892,10 3.47,11 3.418,12 5.047,13 3.416,14 4.233,15 4.354,16 3.825,17 3.783,18 5.498,19 3.769,20 4.469,21 4.641,22 3.834,23 3.853,24 5.686,25 3.817,26 4.469,27 4.667,28 3.758,29 3.797,30 5.606,31 3.755,32 4.441,33 4.651,34 3.757,35 3.818,36 5.496,37 3.768,38 4.394,39 4.568,40 3.776,41 3.841,42 5.609,43 3.782,44 4.432,45 4.607,46 3.713,47 3.845,48 5.621,49 3.768,50 4.486,51 4.72,52 3.503,53 3.718,54 5.586,55 3.604,56 0.063,57 0.605,58 5.82,59 3.203,60 9.196,61 3.519,62 0.097,63 0.963,64 9.518,65 5.109,66 10.667,67 5.835,68 0.231,69 1.2,70 15.399,71 6.858,72 35.399,73 7.893,74 0.284,75 1.193,76 16.451,77 6.485,78 38.946,79 7.622,80 0.248,81 1.127,82 16.154,83 6.323,84 27.589,85 8.008,86 0.302,87 1.097,88 13.838,89 6.402,90 31.866,91 8.047,92 0.196,93 1.122,94 14.591,95 7.218,96 24.109,97 8.907,98 0.201,99 1.15,100 18.786,101 8.18,102 30.925,103 10.643,104 5,105 39,106 0.275,107 0.541,108 0.692,109 0.796,110 0.813,111 0.813,112 3.268,113 0.832,114 -4.77,115 -4.68,116 -4.4,118 51.3,137 10,138 3,139 2,140 2,141 1,147 1,153 1,162 10,165 4,167 1,169 4,170 9,174 6,178 7,180 5,184 6,188 5,190 6,196 1,198 2,201 14,203 1,204 1,206 1,207 1,210 18,213 3,220 12,223 4,227 2,229 4,232 2,236 4,241 925,242 17.154,243 17.154,244 17.154,245 17.154,246 17.154,247 14.445,248 3.784,249 10.202,250 17.429,251 13.846,252 13.846,253 13.846,254 13.846,255 13.846,256 9.895,257 1.825,258 4.905,259 14.339,260 3.705,261 2.179,262 1.313,263 0.718,264 0.615,265 0.615,266 3.967,269 1,270 1,271 501,272 2,274 66.493,275 238.298,282 1.299,283 24.666,285 1,286 1,287 1,288 1,289 0.4,291 1,292 1,293 0.77,294 54,295 229,296 4.567,297 3.208,298 6.747,299 4.171,300 3.203,301 4.3,303 11.08,304 3.103,305 4.119,306 2.899,307 6.079,308 3.728,309 2.744,310 3.726,312 8.826,313 2.698,314 3.976,315 2.771,316 5.772,317 3.554,318 2.573,319 3.568,321 7.837,322 2.525,323 3.723,324 2.479,325 5.077,326 3.265,327 2.312,328 3.238,330 6.17,331 2.193,332 3.55,333 2.423,334 5.02,335 3.139,336 2.192,337 2.906,339 5.992,340 2.062,341 3.201,342 1.832,343 4.657,344 2.716,345 1.764,346 2.485,348 4.826,349 1.671,350 2.872,351 1.445,352 4.175,353 2.353,354 1.414,355 2.038,357 3.52,358 1.323,359 2.5,360 1.118,361 3.91,362 2,363 1.04,364 1.5,366 2.901,367 1,368 2.5,369 1,370 3.457,371 2,372 1,373 1.5,375 2.275,376 1,377 2.5,378 1,379 3.414,380 1.993,381 1,382 1.5,384 2.275,385 0.986,386 2.5,387 1,388 3.414,389 1.984,390 1,391 1.5,392 2.202,393 0.983,394 2.277,395 0.815,396 3.247,397 1.718,398 0.795,399 1.171,400 2.136,401 0.732,402 1.155,403 0.311,404 2.607,405 0.765,406 -0.16,407 -0.199,408 -0.356,409 -0.144,410 1.099,411 0.088,412 2.546,413 0.691,414 -0.232,415 -0.293,416 -0.521,417 -0.21,418 0.755,419 -0.605,420 2.223,421 0.31,422 -0.65,423 -0.865,424 -1.517,425 -0.62,426 11.819,427 0.473,428 0.554,429 0.022,430 38.5,431 1.54,432 22.5,433 0.9,434 16,435 0.64,436 14.937,437 0.597,438 24.781,439 0.635,440 27.513,441 1.101,442 7.858,443 0.314,444 4.345,445 0.174,446 0.052,448 0.338,451 1,452 0.736,453 0.924,454 0.679,455 0.825,456 0.699,457 0.759,458 0.673,459 1.05,460 0.787,461 1.035,462 0.592,463 0.959,464 1.038,465 1.106,466 1.012,467 1.048,468 0.977,469 1.029,470 1.018,471 1.001,472 1.066,473 0.935,474 0.875,475 0.977,476 0.618,477 0.712,478 0.871,479 0.761,480 0.403,481 0.822,482 0.429,483 0.731,484 0.897,485 0.952,486 0.447,487 1.014,488 0.621,489 0.948,490 1.01,491 1.191,492 0.731,493 1.202,494 0.712,495 1.063,496 1.023,497 1.214,498 0.787,499 1.204,500 4.5,501 0.07,502 2.889,503 1.16,504 1.386,505 1.077,506 0.375,507 0.28,508 0.294,509 0.195,510 6899,511 21419,512 2.154,513 35.9,515 10,517 2,518 2,523 1.687,524 2.055,525 3.168,526 0.233,528 1,531 61.634,532 1.58,533 3.106,534 3.972,535 4.567,536 4.67,537 4.67,538 2.623,539 4.084,540 4.611,541 3.305,542 991.396,543 8.015,544 11822,546 1,547 1,548 1,549 206.131,550 1.26,551 4.592,552 0.161,553 0.008,554 0.074,555 0.031,556 0.04,557 0.03,558 0.01,559 0.008,560 0.012,561 0.011,562 0.385,563 0.33,564 1,565 0.477,566 118.685,567 -0.084,568 -0.021,569 0.01,570 0.063,571 -0.111,572 0.058,573 -0.009,574 -0.119,575 -0.049,576 -0.14,577 0.011,578 -0.115,579 -0.123,580 -0.132,581 -0.109,582 -0.101,583 -0.077,584 -0.102,585 -0.166,586 -0.05,587 -0.127,588 -0.012,589 -0.129,590 -0.044,591 -0.048,592 0.134,593 0.047,594 0.158,595 0.005,596 0.142,597 0.203,598 0.144,599 -0.038,600 -0.01,601 0.125,602 -0.068,603 0.071,604 -0.08,605 -0.12,606 -0.204,607 -0.015,608 -0.211,609 0.039,610 -0.19,611 0.025,612 -0.175,613 0.01,614 -0.105,615 1.955,616 5.274,617 0.92,618 21.28,619 1.011,620 1.116,621 3.541,622 12.537,623 0.717,624 3.367,625 3.689,626 3.97,627 4.248,628 4.533,629 4.644,630 4.779,631 4.934,632 5.069,633 5.043,634 5.563,635 0.701,636 331.37,637 3.367,638 4.905,639 5.759,640 6.637,641 7.515,642 8.404,643 9.293,644 10.188,645 11.083,646 11.983,647 7.7,651 5}
{0 CHEMBL288441,1 1.692,2 14.556,3 4.883,4 23.847,5 142.137,6 8.162,7 0.436,8 4.273,9 4.384,10 3.916,11 3.784,12 5.376,13 3.77,14 4.831,15 5.013,16 4.276,17 4.168,18 5.83,19 4.139,20 5.047,21 5.227,22 4.462,23 4.366,24 6.1,25 4.306,26 5.171,27 5.39,28 4.438,29 4.411,30 6.182,31 4.3,32 5.173,33 5.417,34 4.323,35 4.353,36 6.121,37 4.252,38 5.067,39 5.27,40 4.381,41 4.327,42 6.127,43 4.251,44 5.082,45 5.292,46 4.382,47 4.291,48 6.218,49 4.216,50 4.969,51 5.165,52 4.319,53 4.22,54 6.095,55 4.143,56 0.069,57 0.928,58 12.114,59 5.76,60 11.444,61 7.328,62 0.459,63 1.455,64 27.478,65 9.309,66 28.265,67 11.987,68 0.67,69 1.759,70 37.048,71 12.412,72 44.354,73 16.176,74 0.747,75 1.885,76 48.447,77 15.391,78 65.448,79 20.506,80 0.786,81 1.823,82 47.666,83 15.1,84 61.843,85 20.601,86 0.545,87 1.697,88 38.227,89 13.209,90 51.397,91 17.233,92 0.835,93 1.649,94 44.73,95 12.79,96 81.487,97 16.75,98 0.591,99 1.526,100 34.875,101 12.092,102 61.341,103 15.781,104 46,105 54,106 0.269,107 0.578,108 0.758,109 0.819,110 0.844,111 0.858,112 3.616,113 0.956,114 -2.61,115 -2.63,116 -2.56,118 40,120 1,123 3,124 6,137 4,138 2,139 7,140 1,141 1,150 1,162 1,165 9,169 3,170 4,173 2,174 6,178 3,180 5,183 3,184 2,186 3,188 1,190 5,193 1,194 5,196 1,198 1,201 6,204 8,206 1,210 4,212 3,213 7,220 4,222 4,223 5,227 1,229 2,231 1,232 5,238 1,241 2640,242 24.488,243 24.488,244 24.488,245 24.488,246 24.488,247 22.307,248 34.549,249 14.273,250 25.536,251 19.034,252 19.034,253 19.034,254 19.034,255 19.034,256 15.477,257 46.674,258 6.518,259 20.636,260 4.33,261 2.381,262 1.254,263 0.866,264 0.712,265 0.619,266 4.31,267 2,270 1,271 1115,272 3.742,275 447.348,279 171.585,282 2.469,283 35.703,286 0.75,287 0.83,288 0.67,289 0.9,290 0.5,291 0.83,292 1,293 0.78,294 78.167,295 524,296 4.641,297 4.073,298 6.744,299 4.181,300 3.209,301 4.576,302 2.035,303 11.06,304 3.122,305 4.356,306 3.389,307 6.254,308 3.898,309 2.975,310 4.047,311 0.86,312 9.396,313 2.714,314 4.121,315 3.291,316 6.128,317 3.692,318 2.75,319 3.649,320 0.86,321 8.973,322 2.58,323 3.712,324 3.03,325 5.738,326 3.539,327 2.618,328 3.095,329 0.86,330 7.555,331 2.409,332 3.696,333 2.944,334 5.593,335 3.271,336 2.381,337 3.022,338 0.8,339 7.155,340 2.127,341 3.618,342 2.869,343 5.412,344 3.159,345 2.199,346 2.643,347 0.8,348 7.12,349 2.046,350 3.356,351 2.49,352 4.889,353 3.027,354 2.116,355 2.617,356 0.4,357 5.696,358 1.928,359 3.12,360 2.318,361 4.869,362 2.826,363 1.885,364 2.239,366 5.397,367 1.766,368 3.058,369 2.29,370 4.569,371 2.606,372 1.711,373 2.118,375 4.732,376 1.479,377 2.992,378 2.215,379 4.338,380 2.475,381 1.56,382 1.821,384 3.968,385 1.405,386 2.748,387 1.905,388 3.731,389 2.195,390 1.257,391 1.407,392 2.927,393 1.166,394 2.414,395 1.642,396 3.54,397 1.967,398 1,399 1.289,400 2.275,401 0.965,402 2.058,403 1.476,404 3.414,405 1.779,406 0.954,407 1,408 2.202,409 0.751,410 2,411 1.146,412 3.306,413 1.595,414 0.711,415 0.968,416 1.396,417 0.6,418 1.819,419 1.023,420 3.093,421 1.518,422 0.612,423 0.72,424 1.318,425 0.545,426 17.429,427 0.484,428 0.831,429 0.023,430 45.25,431 1.257,432 21,433 0.583,434 24.25,435 0.674,436 35.284,437 0.98,438 39.571,439 0.609,440 37.538,441 1.043,442 8.985,443 0.25,444 8.441,445 0.234,446 0.191,448 0.333,452 0.833,453 1.513,454 0.608,455 1.108,456 0.563,457 0.979,458 1.305,459 0.972,460 0.709,461 0.683,462 0.682,463 0.71,464 0.971,465 1.108,466 0.882,467 0.996,468 0.662,469 0.976,470 0.764,471 0.99,472 0.836,473 1.008,474 0.734,475 1.026,476 0.794,477 0.859,478 0.739,479 0.856,480 0.746,481 0.836,482 1.09,483 1.073,484 0.804,485 0.917,486 0.966,487 0.913,488 1.22,489 0.902,490 1.054,491 0.911,492 1.181,493 0.895,494 0.897,495 1.096,496 0.821,497 1.053,498 0.848,499 1.018,500 7.5,501 0.264,502 4.444,503 2.125,504 2.596,505 1.278,506 0.973,507 0.833,508 0.537,509 0.341,510 19781,511 56853,512 2.04,513 44.6,515 25,517 1,518 1,521 2,523 1.775,524 1.895,525 3.765,526 -0.327,531 109.996,532 1.692,533 3.641,534 4.769,535 5.157,536 5.311,537 5.403,538 3.288,539 4.705,540 5.133,541 3.976,542 2504.59,543 9.031,544 40531.6,549 391.454,550 1.459,551 5.092,552 0.192,553 0.008,554 0.082,555 0.035,556 0.048,557 0.024,558 0.018,559 0.016,560 0.011,561 0.008,562 0.443,563 0.33,564 0.88,565 0.873,566 197.773,567 -0.041,568 -0.293,569 0.032,570 -0.131,571 0.044,572 -0.042,573 -0.217,574 0.142,575 0.06,576 0.244,577 -0.008,578 0.206,579 0.026,580 -0.025,581 0.003,582 -0.025,583 0.1,584 -0.026,585 0.115,586 0.004,587 0.077,588 -0.018,589 0.121,590 -0.03,591 0.099,592 0.086,593 0.134,594 0.12,595 0.097,596 0.17,597 -0.072,598 -0.066,599 0.067,600 0.059,601 0.025,602 0.059,603 -0.039,604 0.096,605 -0.005,606 0.066,607 0.064,608 0.063,609 0.126,610 -0.083,611 0.073,612 -0.072,613 0.19,614 -0.046,615 1.31,616 3.745,617 0.611,618 47.741,619 1.01,620 1.129,621 1.375,622 1.892,623 0.677,624 3.689,625 4.007,626 4.29,627 4.533,628 4.82,629 4.913,630 5.011,631 5.165,632 5.298,633 5.328,634 8.319,635 0.642,636 530.5,637 3.689,638 5.231,639 6.084,640 6.961,641 7.836,642 8.719,643 9.602,644 10.491,645 11.379,646 12.271,647 7.7,650 2,651 5}
{0 CHEMBL296468,1 1.706,2 11.8,3 2.284,4 5.216,5 101.699,6 7.767,7 0.37,8 3.979,9 4.1,10 3.665,11 3.55,12 4.99,13 3.47,14 4.551,15 4.736,16 4.127,17 3.973,18 5.51,19 3.851,20 4.782,21 4.99,22 3.999,23 4.025,24 5.719,25 3.878,26 4.895,27 5.161,28 3.92,29 3.959,30 5.827,31 3.792,32 4.614,33 4.87,34 3.825,35 3.766,36 5.612,37 3.614,38 4.288,39 4.455,40 3.875,41 3.739,42 5.319,43 3.56,44 4.388,45 4.617,46 3.622,47 3.732,48 5.218,49 3.493,50 4.129,51 4.299,52 3.55,53 3.559,54 5.096,55 3.378,56 0.023,57 0.759,58 11.51,59 5.054,60 7.549,61 6.286,62 0.278,63 1.247,64 28.591,65 9.346,66 26.577,67 11.26,68 0.297,69 1.401,70 33.279,71 10.879,72 34.528,73 13.753,74 0.565,75 1.39,76 39.808,77 11.762,78 59.771,79 14.875,80 0.453,81 1.155,82 31.374,83 8.604,84 47.285,85 10.791,86 0.28,87 0.985,88 24.271,89 7.881,90 25.889,91 8.452,92 0.298,93 1.03,94 34.79,95 10.196,96 21.236,97 10.966,98 0.13,99 0.81,100 20.114,101 6.957,102 17.688,103 7.67,104 18,105 38,106 0.292,107 0.602,108 0.762,109 0.769,110 0.769,111 0.769,112 3.266,113 1.141,114 -3.55,115 -3.52,116 -3.36,118 34.7,119 3,120 2,121 1,122 1,124 3,140 2,147 1,148 1,150 1,153 1,154 1,162 5,164 1,165 3,167 2,169 4,170 5,174 9,178 3,183 1,184 5,188 1,190 1,194 4,196 1,197 1,201 3,203 2,204 1,210 4,216 3,218 1,220 3,223 1,229 3,231 2,232 5,236 2,241 932,242 16.419,243 16.419,244 16.419,245 16.419,246 16.419,247 15.14,248 26.932,249 9.68,250 17.048,251 13.351,252 13.351,253 13.351,254 13.351,255 13.351,256 11.287,257 36.798,258 4.651,259 14.413,260 3.909,261 2.106,262 1.169,263 1.128,264 1.128,265 1.128,266 3.941,268 1,269 1,270 1,271 625,272 3.808,274 156.977,275 94.674,282 2,283 23.413,286 1,287 1,288 1,289 1,290 1,291 1,292 1,293 1,294 54,295 295,296 4.469,297 4.438,298 7.118,299 4.324,300 3.327,301 3.913,302 3.272,303 11.698,304 3.319,305 4.158,306 3.714,307 6.056,308 3.826,309 2.864,310 3.744,311 1.907,312 8.732,313 2.803,314 3.901,315 3.55,316 5.63,317 3.537,318 2.662,319 3.093,320 0.4,321 7.783,322 2.377,323 3.764,324 3.025,325 5.4,326 3.41,327 2.465,328 3.018,329 0.149,330 7.151,331 2.214,332 3.209,333 2.474,334 4.909,335 2.885,336 1.995,337 2.362,339 5.721,340 1.779,341 2.876,342 2.279,343 4.427,344 2.595,345 1.672,346 1.879,348 4.185,349 1.505,350 2.727,351 2.14,352 4.159,353 2.39,354 1.423,355 1.782,357 3.835,358 1.365,359 2.242,360 1.609,361 3.45,362 1.995,363 1.036,364 1.167,366 2.476,367 0.983,368 2.17,369 1.358,370 3.302,371 1.984,372 1,373 1.043,375 2.136,376 0.98,377 2.159,378 1.077,379 3.273,380 1.65,381 0.756,382 1.014,384 1.811,385 0.666,386 2,387 0.946,388 3.247,389 1.604,390 0.692,391 1,392 1.686,393 0.625,394 1.691,395 0.695,396 3.103,397 1.255,398 0.447,399 0.545,400 1.109,401 0.352,402 0.997,403 0.454,404 2.645,405 0.58,406 -0.353,407 -0.42,408 -0.95,409 -0.318,410 0.447,411 0.164,412 2.528,413 0.262,414 -0.75,415 -0.824,416 -1.619,417 -0.688,418 0.372,419 -0.323,420 2.123,421 0.108,422 -0.805,423 -0.972,424 -2.339,425 -0.78,426 12.433,427 0.497,428 0.757,429 0.03,430 26.75,431 1.07,432 10.5,433 0.42,434 16.25,435 0.65,436 26.424,437 1.057,438 28.367,439 0.579,440 15.677,441 0.627,442 4.316,443 0.173,444 7.599,445 0.304,446 0.147,447 0.04,448 0.241,452 0.826,453 1.328,454 0.768,455 0.982,456 0.633,457 1.001,458 0.701,459 1.057,460 0.796,461 0.945,462 0.553,463 0.906,464 1.139,465 1.232,466 1.001,467 1.159,468 1.094,469 1.179,470 1.356,471 0.855,472 0.806,473 0.76,474 1.358,475 0.808,476 1.229,477 0.814,478 0.973,479 0.834,480 1.538,481 0.797,482 1.19,483 1.113,484 1.51,485 1.302,486 1.169,487 1.121,488 0.535,489 1.121,490 1.958,491 1.724,492 0.462,493 1.129,494 1.131,495 1.318,496 1.527,497 1.428,498 1.198,499 1.238,500 6.5,501 0.09,502 2.667,503 1.507,504 1.296,505 0.511,506 0.375,507 0.293,508 0.185,509 0.2,510 8015,511 19920,512 2.028,513 49,514 9,515 6,517 2,518 2,519 1,520 4,523 1.672,524 1.887,525 3.515,526 0.352,527 1,528 1,531 83.595,532 1.706,533 3.509,534 4.446,535 4.486,536 4.486,537 4.486,538 2.953,539 4.134,540 4.617,541 3.731,542 1119.21,543 7.942,544 14422.1,546 1,548 1,549 275.121,550 1.571,551 4.56,552 0.241,553 0.006,554 0.07,555 0.047,556 0.045,557 0.02,558 0.015,559 0.013,560 0.009,561 0.011,562 0.477,563 0.33,564 1,565 0.795,566 124.003,567 -0.047,568 -0.12,569 0.077,570 0.031,571 -0.025,572 0.02,573 0.184,574 0.059,575 0.209,576 0.107,577 0.134,578 0.101,579 -0.083,580 -0.227,581 -0.066,582 -0.185,583 -0.089,584 -0.198,585 -0.067,586 0.013,587 0.123,588 0.137,589 -0.038,590 0.135,591 -0.041,592 0.192,593 0.084,594 0.138,595 -0.063,596 0.139,597 -0.078,598 0.123,599 -0.07,600 0.039,601 -0.112,602 -0.088,603 0.13,604 0.03,605 -0.26,606 -0.191,607 0.062,608 -0.007,609 -0.183,610 -0.162,611 -0.2,612 -0.128,613 -0.136,614 -0.177,615 1.588,616 5.249,617 0.64,618 24.531,619 1.001,620 1.131,621 2.316,622 5.362,623 0.67,624 3.332,625 3.664,626 3.829,627 4.007,628 4.078,629 4.078,630 4.078,631 4.174,632 4.248,633 4.317,634 7.128,635 0.615,636 380.59,637 3.332,638 4.875,639 5.694,640 6.561,641 7.397,642 8.262,643 9.104,644 9.968,645 10.814,646 11.676,647 8.2,649 1,651 5}
{0 CHEMBL300138,1 1.463,2 13.769,3 4.534,4 20.558,5 151.757,6 7.583,7 0.578,8 4.333,9 4.449,10 3.937,11 3.93,12 5.403,13 3.909,14 4.891,15 5.057,16 4.336,17 4.371,18 5.922,19 4.332,20 5.159,21 5.356,22 4.405,23 4.538,24 6.128,25 4.466,26 5.263,27 5.477,28 4.438,29 4.597,30 6.268,31 4.508,32 5.31,33 5.525,34 4.491,35 4.613,36 6.325,37 4.532,38 5.321,39 5.528,40 4.488,41 4.613,42 6.389,43 4.535,44 5.332,45 5.549,46 4.383,47 4.562,48 6.387,49 4.469,50 5.254,51 5.487,52 4.229,53 4.439,54 6.266,55 4.338,56 0.024,57 1.003,58 13.098,59 5.962,60 8.409,61 7.762,62 0.268,63 1.73,64 25.55,65 10.038,66 25.517,67 13.473,68 0.279,69 2.148,70 35.731,71 14.257,72 33.073,73 19.155,74 0.361,75 2.339,76 40.757,77 16.439,78 61.46,79 22.531,80 0.425,81 2.439,82 43.258,83 16.985,84 51.945,85 23.08,86 0.414,87 2.432,88 43.587,89 16.945,90 64.64,91 22.641,92 0.47,93 2.42,94 45.411,95 17.217,96 83.853,97 22.682,98 0.493,99 2.205,100 43.594,101 15.829,102 86.688,103 20.961,104 10,105 66,106 0.225,107 0.565,108 0.719,109 0.796,110 0.832,111 0.85,112 3.694,113 0.897,114 -4.04,115 -3.99,116 -3.78,118 47.1,120 2,123 1,124 3,126 1,133 2,137 11,138 4,140 1,141 1,146 2,147 2,150 2,162 15,165 14,167 2,169 2,170 16,173 1,174 12,178 2,180 13,183 2,184 9,188 2,190 16,193 2,194 9,196 2,198 2,201 17,203 2,204 11,208 4,210 14,212 2,213 14,218 4,220 11,223 11,229 8,231 1,232 9,234 1,238 11,241 3072,242 26.999,243 26.999,244 26.999,245 26.999,246 26.999,247 23.554,248 25.266,249 15.774,250 27.369,251 22.269,252 22.269,253 22.269,254 22.269,255 22.269,256 16.942,257 30.58,258 7.522,259 22.853,260 4.625,261 2.421,262 1.418,263 0.917,264 0.688,265 0.57,266 4.42,270 1,271 1220,272 2.915,274 243.269,275 429.132,278 290.794,282 2.146,283 30.791,286 0.75,287 0.67,288 0.83,289 0.7,290 0.5,291 0.83,292 1,293 0.75,294 82.5,295 537,296 4.828,297 3.839,298 7.192,299 4.426,300 3.434,301 4.717,302 1.2,303 12.678,304 3.407,305 4.647,306 3.339,307 6.862,308 4.189,309 3.219,310 4.604,311 0.916,312 11.457,313 3.126,314 4.366,315 3.257,316 6.577,317 3.943,318 2.969,319 3.945,320 0.8,321 10.363,322 2.887,323 3.942,324 3.154,325 6.041,326 3.657,327 2.704,328 3.457,329 0.172,330 8.5,331 2.579,332 3.747,333 3.004,334 5.694,335 3.468,336 2.495,337 3.016,339 7.686,340 2.42,341 3.54,342 2.655,343 5.562,344 3.205,345 2.217,346 2.846,348 7.198,349 2.197,350 3.395,351 2.417,352 5.278,353 3.076,354 2.125,355 2.702,357 6.187,358 2.007,359 3.342,360 2.303,361 5.064,362 2.957,363 1.974,364 2.626,366 5.967,367 1.932,368 3.314,369 2.04,370 4.979,371 2.847,372 1.877,373 2.466,375 5.314,376 1.809,377 3.149,378 1.903,379 4.761,380 2.678,381 1.648,382 2.307,384 4.702,385 1.685,386 2.916,387 1.582,388 4.515,389 2.522,390 1.543,391 2.062,392 4.185,393 1.509,394 2.843,395 1.472,396 4.31,397 2.377,398 1.394,399 1.923,400 3.557,401 1.367,402 2.777,403 1.447,404 3.653,405 2.32,406 1.324,407 1.857,408 3.031,409 1.316,410 2.655,411 1.216,412 3.595,413 2.167,414 1.178,415 1.709,416 2.78,417 1.163,418 2.528,419 1.122,420 3.584,421 2.045,422 1.067,423 1.507,424 2.716,425 1.041,426 18.667,427 0.479,428 0.935,429 0.024,430 52.75,431 1.353,432 26.5,433 0.679,434 26.25,435 0.673,436 35.82,437 0.918,438 39.533,439 0.581,440 44.945,441 1.152,442 10.362,443 0.266,444 8.718,445 0.224,446 0.063,448 0.386,452 0.71,453 1.287,454 0.74,455 1.001,456 0.518,457 0.891,458 0.847,459 1.037,460 0.868,461 0.869,462 0.517,463 0.856,464 0.954,465 0.997,466 0.962,467 0.976,468 0.811,469 0.965,470 0.707,471 1.026,472 0.915,473 1.024,474 0.547,475 0.996,476 0.876,477 1.012,478 0.912,479 1.011,480 0.95,481 0.974,482 1.113,483 1.069,484 0.995,485 1.062,486 1.219,487 1.023,488 1.389,489 1.04,490 1.118,491 1.081,492 1.574,493 1.077,494 1.557,495 1.002,496 1.117,497 0.973,498 1.773,499 0.998,500 6,501 0.224,502 4.222,503 3.91,504 2.248,505 1.668,506 1.266,507 0.829,508 0.536,509 0.355,510 25302,511 59288,512 2.216,513 42.6,515 21,516 2,517 1,518 1,521 4,523 1.797,524 2.108,525 3.685,526 -0.434,531 99.456,532 1.463,533 3.666,534 4.67,535 5.17,536 5.4,537 5.518,538 3.214,539 4.978,540 5.251,541 3.876,542 2871.9,543 9.281,544 46468.6,549 413.947,550 1.296,551 5.233,552 0.133,553 0.005,554 0.064,555 0.057,556 0.032,557 0.023,558 0.018,559 0.013,560 0.01,561 0.007,562 0.362,563 0.33,564 0.75,565 0.42,566 215.456,567 -0.009,568 -0.177,569 0.072,570 -0.037,571 -0.013,572 0.015,573 0.023,574 0.077,575 0.02,576 0.073,577 0.06,578 0.054,579 -0.062,580 0.031,581 -0.026,583 -0.015,584 -0.004,585 0.107,586 -0.033,587 0.037,588 -0.032,589 0.187,590 -0.007,591 0.109,592 -0.018,593 0.061,594 -0.028,595 0.036,596 0.004,597 0.017,598 -0.079,599 -0.017,600 -0.081,601 0.011,602 -0.056,603 -0.106,604 -0.068,605 -0.112,606 -0.1,607 -0.101,608 -0.108,609 -0.195,610 -0.045,611 -0.08,612 0.008,613 -0.196,614 -0.02,615 2.008,616 6.339,617 0.897,618 45.945,619 0.997,620 1.116,621 2.809,622 7.892,623 0.692,624 3.829,625 4.205,626 4.575,627 4.949,628 5.226,629 5.394,630 5.642,631 5.844,632 5.976,633 6.127,634 7.828,635 0.66,636 515.66,637 3.829,638 5.407,639 6.304,640 7.225,641 8.143,642 9.073,643 10.002,644 10.938,645 11.872,646 12.812,647 7.4,650 1,651 5}
{0 CHEMBL31965,1 1.772,2 13.382,3 4.038,4 16.303,5 128.881,6 8.237,7 0.459,8 4.189,9 4.302,10 3.832,11 3.687,12 5.339,13 3.692,14 4.727,15 4.89,16 4.185,17 4.051,18 5.872,19 4.039,20 4.974,21 5.173,22 4.295,23 4.187,24 6.14,25 4.149,26 4.987,27 5.209,28 4.153,29 4.174,30 6.024,31 4.1,32 4.981,33 5.213,34 4.15,35 4.173,36 6.025,37 4.098,38 4.966,39 5.177,40 4.196,41 4.161,42 6.05,43 4.111,44 4.953,45 5.157,46 4.23,47 4.162,48 6.137,49 4.106,50 4.887,51 5.09,52 4.185,53 4.122,54 6.058,55 4.065,56 0.126,57 0.934,58 10.471,59 5.109,60 13.648,61 6.243,62 0.499,63 1.442,64 22.228,65 8.341,66 37.702,67 10.315,68 0.855,69 1.704,70 34.269,71 10.812,72 80.994,73 13.657,74 0.767,75 1.674,76 34.53,77 11.419,78 69.915,79 15.23,80 0.746,81 1.619,82 35.318,83 11.901,84 69.817,85 16.304,86 0.759,87 1.615,88 32.606,89 10.923,90 68.483,91 14.343,92 0.913,93 1.625,94 32.179,95 10.748,96 81.979,97 14.076,98 0.567,99 1.61,100 30.95,101 10.087,102 61.965,103 13.165,104 20,105 50,106 0.287,107 0.648,108 0.808,109 0.875,110 0.875,111 0.875,112 3.56,113 0.915,114 -4.06,115 -4.01,116 -3.8,118 40.7,120 1,124 6,131 1,132 1,137 5,138 1,139 5,141 1,142 1,143 1,150 1,162 3,164 1,165 7,167 2,169 5,170 3,173 1,174 4,176 1,178 5,180 3,183 2,184 5,186 1,188 2,190 5,193 1,194 5,196 2,197 1,198 1,201 7,203 1,204 6,206 1,210 7,212 3,213 5,216 2,218 3,220 3,222 1,223 7,227 3,229 2,231 1,232 5,236 1,238 2,241 2324,242 23.162,243 23.162,244 23.162,245 23.162,246 23.162,247 20.866,248 31.688,249 13.905,250 23.947,251 18.231,252 18.231,253 18.231,254 18.231,255 18.231,256 14.648,257 45.905,258 6.598,259 19.543,260 4.11,261 1.881,262 0.892,263 0.475,264 0.475,265 0.475,266 4.258,267 1,270 1,271 975,272 3.808,275 419.253,279 162.198,282 2.369,283 42.335,286 1,287 0.83,288 0.83,289 0.8,290 0.5,291 1,292 1,293 0.85,294 75.333,295 455,296 4.578,297 3.49,298 6.588,299 4.109,300 3.141,301 4.514,302 1.058,303 10.55,304 3.039,305 4.219,306 3.311,307 6.08,308 3.767,309 2.839,310 3.872,311 0.86,312 8.858,313 2.628,314 4.026,315 3.2,316 5.947,317 3.624,318 2.682,319 3.519,320 0.86,321 8.306,322 2.514,323 3.662,324 2.907,325 5.367,326 3.437,327 2.521,328 2.973,329 0.8,330 6.965,331 2.307,332 3.536,333 2.874,334 5.34,335 3.273,336 2.296,337 2.822,338 0.4,339 6.809,340 2.234,341 3.518,342 2.464,343 5.068,344 3.124,345 2.174,346 2.647,348 6.047,349 2.017,350 3.314,351 2.186,352 4.926,353 2.828,354 1.867,355 2.521,357 5.516,358 1.782,359 3.009,360 2.125,361 4.446,362 2.618,363 1.693,364 2.227,366 4.366,367 1.555,368 2.82,369 2.062,370 4.041,371 2.447,372 1.533,373 1.948,375 3.523,376 1.4,377 2.725,378 1.929,379 3.907,380 2.319,381 1.414,382 1.765,384 3.368,385 1.217,386 2.575,387 1.494,388 3.697,389 2.251,390 1.356,391 1.58,392 3.08,393 1.203,394 2.308,395 1.342,396 3.457,397 2.085,398 1.154,399 1.296,400 2.637,401 1.064,402 2.199,403 1.256,404 3.247,405 1.952,406 1,407 1,408 2.136,409 0.946,410 2,411 0.868,412 3.194,413 1.503,414 0.571,415 0.716,416 1.385,417 0.527,418 1.723,419 0.794,420 2.905,421 1.345,422 0.383,423 0.507,424 0.771,425 0.363,426 16,427 0.471,428 0.729,429 0.021,430 43.5,431 1.279,432 20.5,433 0.603,434 23,435 0.676,436 29.189,437 0.859,438 37.4,439 0.634,440 36.241,441 1.066,442 8.856,443 0.26,444 7.673,445 0.226,446 0.115,448 0.306,451 1,452 0.748,453 1.32,454 0.63,455 1.102,456 0.586,457 0.954,458 1.008,459 1.076,460 0.783,461 0.934,462 0.635,463 0.91,464 1.065,465 1.051,466 0.919,467 0.94,468 0.822,469 0.936,470 0.86,471 0.942,472 0.885,473 0.975,474 0.793,475 1.005,476 0.607,477 0.749,478 0.766,479 0.917,480 0.512,481 0.902,482 0.95,483 0.909,484 0.777,485 0.895,486 0.762,487 0.912,488 0.889,489 0.869,490 0.835,491 0.847,492 0.801,493 0.917,494 0.923,495 1.137,496 1.037,497 1.107,498 0.996,499 1.072,500 6.5,501 0.252,502 3.333,503 1.688,504 1.942,505 0.847,506 0.889,507 0.628,508 0.447,509 0.319,510 17155,511 54173,512 2.077,513 42.4,515 20,517 1,518 2,521 2,523 1.763,524 1.962,525 3.68,526 0.235,531 104.576,532 1.772,533 4.002,534 4.991,535 5.408,536 5.408,537 5.408,538 3.253,539 4.771,540 5.051,541 3.881,542 2176.99,543 8.882,544 34026.1,549 347.076,550 1.333,551 5.026,552 0.176,553 0.007,554 0.067,555 0.032,556 0.042,557 0.018,558 0.018,559 0.013,560 0.01,561 0.008,562 0.39,563 0.33,564 0.88,565 0.962,566 183.346,567 -0.062,568 -0.212,569 0.03,570 -0.1,571 -0.042,572 -0.021,573 -0.092,574 -0.051,575 0.002,576 0.018,577 0.023,578 0.01,579 -0.06,580 -0.05,581 0.006,582 0.02,583 0.057,584 0.012,585 -0.019,586 -0.011,587 -0.01,588 -0.013,589 -0.027,590 -0.02,591 0.126,592 0.083,593 0.111,594 0.054,595 0.107,596 0.112,597 -0.047,598 -0.014,599 0.05,600 0.055,601 -0.035,602 0.058,603 0.054,604 0.037,605 0.044,606 0.105,607 0.051,608 0.041,609 -0.084,610 -0.148,611 -0.064,612 -0.132,613 -0.047,614 -0.106,615 2.176,616 5.52,617 0.647,618 43.765,619 1.018,620 1.135,621 2.83,622 8.01,623 0.671,624 3.638,625 3.932,626 4.174,627 4.407,628 4.682,629 4.745,630 4.898,631 5.056,632 5.176,633 5.231,634 7.881,635 0.648,636 485.99,637 3.638,638 5.165,639 5.999,640 6.86,641 7.715,642 8.584,643 9.45,644 10.325,645 11.197,646 12.077,647 8.5,650 1,651 5}
{0 CHEMBL377300,1 1.737,2 10.667,3 3.998,4 15.98,5 99.425,6 8.053,7 0.667,8 3.969,9 4.075,10 3.595,11 3.442,12 5.155,13 3.465,14 4.486,15 4.641,16 3.993,17 3.812,18 5.66,19 3.837,20 4.673,21 4.828,22 4.062,23 3.886,24 5.958,25 3.901,26 4.729,27 4.929,28 3.971,29 3.855,30 5.902,31 3.848,32 4.586,33 4.771,34 3.866,35 3.781,36 5.811,37 3.768,38 4.608,39 4.805,40 3.857,41 3.815,42 5.79,43 3.786,44 4.648,45 4.862,46 3.806,47 3.755,48 5.861,49 3.727,50 4.533,51 4.767,52 3.644,53 3.611,54 5.74,55 3.565,56 0.152,57 0.756,58 8.482,59 4.074,60 13.139,61 4.746,62 0.381,63 1.172,64 16.916,65 6.524,66 31.722,67 8.026,68 0.805,69 1.343,70 21.689,71 7.604,72 60.193,73 8.969,74 0.757,75 1.404,76 25.402,77 8.334,78 56.999,79 10.3,80 0.713,81 1.27,82 20.691,83 6.914,84 54.499,85 8.53,86 0.552,87 1.336,88 21.105,89 7.571,90 47.249,91 9.541,92 0.686,93 1.316,94 23.28,95 7.274,96 62.388,97 9.311,98 0.779,99 1.072,100 22.034,101 6.623,102 72.722,103 8.856,104 29,105 44,106 0.295,107 0.697,108 0.839,109 0.879,110 0.879,111 0.879,112 3.341,113 0.853,114 -4.07,115 -4.02,116 -3.81,118 41.3,119 3,124 1,126 1,137 3,138 2,139 3,142 1,143 1,146 1,147 3,158 1,162 3,164 2,165 3,169 5,170 2,173 3,174 8,176 1,178 1,180 3,183 2,184 5,190 2,193 2,194 3,196 1,198 1,201 3,204 6,206 1,208 1,210 4,213 5,216 2,220 3,223 6,225 3,227 1,229 1,232 2,234 1,236 1,238 1,241 1105,242 17.947,243 17.947,244 17.947,245 17.947,246 17.947,247 15.51,248 16.375,249 10.319,250 18.49,251 14.794,252 14.794,253 14.794,254 14.794,255 14.794,256 11.091,257 17.207,258 4.912,259 15.754,260 3.786,261 1.421,262 0.587,263 0.354,264 0.354,265 0.354,266 4.033,268 1,269 1,270 1,271 624,272 3.317,274 114.081,275 133.657,278 206.551,282 1.654,283 35.117,285 1,286 1,287 1,288 1,289 0.8,290 0.5,291 1,292 1,293 0.9,294 60.5,295 288,296 4.697,297 3.478,298 6.894,299 4.216,300 3.265,301 4.663,302 0.86,303 11.511,304 3.104,305 4.597,306 3.344,307 6.654,308 4.109,309 3.144,310 4.557,311 0.86,312 10.635,313 3.03,314 3.908,315 2.899,316 5.827,317 3.486,318 2.563,319 3.39,321 8.054,322 2.356,323 3.704,324 2.687,325 5.658,326 3.29,327 2.363,328 3.132,330 7.362,331 2.18,332 3.391,333 2.489,334 5.161,335 3.082,336 2.148,337 2.762,339 6.014,340 1.996,341 3.235,342 2.206,343 4.821,344 2.904,345 1.961,346 2.545,348 5.214,349 1.845,350 3.199,351 2.004,352 4.72,353 2.785,354 1.814,355 2.354,357 5.129,358 1.753,359 3.104,360 1.916,361 4.657,362 2.641,363 1.68,364 2.229,366 4.833,367 1.607,368 2.875,369 1.775,370 4.465,371 2.391,372 1.479,373 2.012,375 4.072,376 1.341,377 2.433,378 1.233,379 3.592,380 1.997,381 1.074,382 1.411,384 2.515,385 0.986,386 2.068,387 1.095,388 3.52,389 1.558,390 0.625,391 0.881,392 1.684,393 0.574,394 1.674,395 0.965,396 3.182,397 1.409,398 0.536,399 0.596,400 1.269,401 0.463,402 1.614,403 0.611,404 2.995,405 1.238,406 0.348,407 0.424,408 0.864,409 0.305,410 1.073,411 0.122,412 2.563,413 0.635,414 -0.28,415 -0.352,416 -0.723,417 -0.251,418 0.876,419 -0.085,420 2.351,421 0.548,422 -0.374,423 -0.453,424 -0.923,425 -0.342,426 12.386,427 0.459,428 0.822,429 0.03,430 35.25,431 1.306,432 17,433 0.63,434 18.25,435 0.676,436 22.503,437 0.833,438 29.614,439 0.644,440 26.603,441 0.985,442 7.059,443 0.261,444 5.877,445 0.218,446 0.171,448 0.436,451 1,452 0.8,453 1.164,454 0.708,455 1.113,456 0.736,457 0.933,458 0.903,459 1.076,460 0.679,461 0.96,462 0.694,463 0.797,464 1.116,465 1.081,466 0.972,467 1.018,468 1.038,469 0.972,470 1.229,471 1.071,472 0.947,473 0.944,474 1.012,475 0.892,476 1.104,477 1.029,478 1.069,479 0.969,480 1.051,481 0.995,482 1.025,483 1.204,484 1.01,485 1.114,486 1.236,487 1.07,488 1.159,489 1.065,490 1.08,491 0.979,492 1.144,493 1,494 0.938,495 0.9,496 0.978,497 0.852,498 1.049,499 0.897,500 6,501 0.139,502 3.333,503 2.799,504 1.743,505 0.896,506 0.67,507 0.505,508 0.311,509 0.2,510 8592,511 25146,512 2.075,513 41.3,514 3,515 6,516 1,517 1,518 2,519 3,520 3,523 1.702,524 1.906,525 3.355,526 0.304,528 1,531 79.908,532 1.737,533 4.102,534 4.936,535 5.17,536 5.17,537 5.17,538 2.883,539 4.533,540 4.724,541 3.526,542 1237.64,543 8.21,544 15509,546 1,548 1,549 254.084,550 1.506,551 4.668,552 0.2,553 0.009,554 0.076,555 0.064,556 0.044,557 0.025,558 0.019,559 0.015,560 0.011,561 0.01,562 0.472,563 0.33,564 1,565 1.155,566 132.838,567 -0.059,568 -0.103,569 0.044,570 -0.063,571 -0.111,572 0.001,573 -0.029,574 -0.092,575 0.187,576 0.042,577 0.015,578 0.147,579 0.049,580 -0.058,581 -0.038,582 -0.042,584 -0.063,585 -0.067,586 -0.043,587 0.059,588 0.039,589 -0.014,590 0.069,591 -0.013,592 0.062,593 -0.118,594 0.002,595 -0.032,596 -0.067,597 -0.05,598 -0.084,599 -0.068,600 -0.107,601 -0.096,602 -0.098,603 -0.101,604 -0.037,605 -0.087,606 -0.031,607 -0.041,608 -0.055,609 0.107,610 0.125,611 0.05,612 0.101,613 0.054,614 0.077,615 2.122,616 6.836,617 0.667,618 23.61,619 1.021,620 1.137,621 2.843,622 8.082,623 0.661,624 3.434,625 3.807,626 4.111,627 4.431,628 4.644,629 4.745,630 4.883,631 5.056,632 5.075,633 5.153,634 6.212,635 0.648,636 370.42,637 3.434,638 5.004,639 5.878,640 6.786,641 7.681,642 8.594,643 9.498,644 10.412,645 11.321,646 12.236,647 8.7,651 5}
{0 CHEMBL379218,1 1.447,2 11.889,3 3.212,4 10.318,5 107.094,6 7.316,7 0.733,8 3.988,9 4.113,10 3.548,11 3.566,12 5.096,13 3.538,14 4.486,15 4.649,16 3.875,17 3.946,18 5.513,19 3.897,20 4.722,21 4.921,22 3.882,23 4.052,24 5.728,25 3.964,26 4.797,27 5.045,28 3.741,29 3.999,30 5.685,31 3.879,32 4.677,33 4.916,34 3.705,35 3.912,36 5.619,37 3.805,38 4.661,39 4.897,40 3.667,41 3.85,42 5.636,43 3.748,44 4.59,45 4.847,46 3.557,47 3.746,48 5.517,49 3.64,50 4.42,51 4.66,52 3.467,53 3.656,54 5.379,55 3.548,56 0.07,57 0.719,58 10.103,59 4.355,60 11.923,61 5.765,62 0.115,63 1.123,64 17.865,65 7.253,66 18.259,67 9.74,68 0.292,69 1.358,70 24.012,71 9.183,72 34.729,73 12.615,74 0.244,75 1.398,76 27.58,77 10.137,78 34.748,79 14.244,80 0.171,81 1.263,82 23.926,83 8.953,84 31.875,85 12.626,86 0.236,87 1.23,88 23.868,89 8.561,90 36.542,91 11.871,92 0.274,93 1.148,94 22.792,95 7.822,96 32.595,97 11.064,98 0.24,99 0.97,100 18.622,101 6.861,102 27.527,103 9.772,104 5,105 41,106 0.242,107 0.6,108 0.775,109 0.866,110 0.875,111 0.875,112 3.339,113 0.901,114 -3.58,115 -3.55,116 -3.39,118 44.9,119 1,120 1,124 1,126 1,137 9,138 4,139 1,140 2,141 1,147 1,155 1,156 1,157 1,160 1,162 13,165 4,169 3,170 16,172 1,173 1,174 7,175 1,176 1,178 3,180 12,182 1,184 5,188 4,190 5,191 2,194 7,198 4,201 3,202 3,204 6,205 1,206 1,208 3,210 3,211 2,212 1,213 3,216 1,218 1,220 4,221 1,222 1,223 3,225 1,227 2,229 7,230 2,232 2,236 2,238 9,240 2,241 1140,242 18.516,243 18.516,244 18.516,245 18.516,246 18.516,247 15.922,248 11.017,249 11.088,250 18.793,251 14.842,252 14.842,253 14.842,254 14.842,255 14.842,256 11.035,257 9.41,258 5.322,259 15.279,260 4.168,261 2.027,262 0.98,263 0.439,264 0.383,265 0.383,266 4.04,268 1,269 1,270 1,271 708,272 3.082,274 66.035,275 258.152,278 112.937,282 1.901,283 16.253,285 1,286 1,287 1,288 1,289 0.6,290 0.5,291 1,292 1,293 0.87,294 57,295 321,296 4.558,297 3.148,298 6.522,299 4.089,300 3.103,301 4.51,302 0.86,303 10.231,304 3.059,305 4.184,306 2.981,307 6.117,308 3.779,309 2.802,310 3.816,312 8.979,313 2.739,314 3.927,315 2.815,316 5.492,317 3.615,318 2.626,319 3.455,321 7.41,322 2.599,323 3.686,324 2.599,325 5.309,326 3.3,327 2.353,328 3.098,330 6.836,331 2.216,332 3.314,333 2.205,334 4.952,335 3.058,336 2.084,337 2.648,339 5.447,340 2.026,341 3.253,342 2.012,343 4.792,344 2.848,345 1.878,346 2.357,348 5.404,349 1.818,350 2.968,351 1.623,352 4.355,353 2.481,354 1.521,355 2.167,357 4.156,358 1.458,359 2.815,360 1.492,361 4.01,362 2.397,363 1.405,364 1.922,366 3.18,367 1.392,368 2.703,369 1.275,370 3.586,371 2.193,372 1.233,373 1.795,375 3.019,376 1.181,377 2.571,378 1.111,379 3.486,380 2.041,381 1.084,382 1.605,384 2.546,385 1.034,386 2.5,387 1,388 3.247,389 2,390 1,391 1.5,392 2.136,393 1,394 2.111,395 0.986,396 3.223,397 1.642,398 0.654,399 0.939,400 1.552,401 0.645,402 1.715,403 0.714,404 3.098,405 1.467,406 0.574,407 0.638,408 1.347,409 0.507,410 1.053,411 0.08,412 2.629,413 0.786,414 -0.187,415 -0.217,416 -0.455,417 -0.182,418 1.01,419 -0.208,420 2.514,421 0.631,422 -0.353,423 -0.461,424 -0.856,425 -0.345,426 12.933,427 0.479,428 0.571,429 0.021,430 37.25,431 1.38,432 20.5,433 0.759,434 16.75,435 0.62,436 19.934,437 0.738,438 27.867,439 0.569,440 25.777,441 0.955,442 7.475,443 0.277,444 5.712,445 0.212,446 0.07,448 0.309,452 0.899,453 1.021,454 0.817,455 0.944,456 1.072,457 0.88,458 1.154,459 1.117,460 0.91,461 1.003,462 0.977,463 0.945,464 1.128,465 1.059,466 1.091,467 1.082,468 1.077,469 1.087,470 1.183,471 1,472 1.022,473 1.002,474 1.011,475 1,476 1.022,477 1.081,478 0.974,479 1.064,480 1.01,481 1.021,482 1.371,483 1.093,484 1.056,485 1.072,486 1.268,487 1.044,488 1.275,489 0.887,490 0.986,491 0.898,492 1.104,493 0.909,494 0.839,495 0.978,496 0.937,497 0.981,498 0.847,499 0.974,500 5,501 0.129,502 2.667,503 1.417,504 1.142,505 0.663,506 0.415,507 0.333,508 0.152,509 0.143,510 10189,511 24084,512 2.142,513 44.9,515 12,517 2,518 3,519 3,520 2,523 1.696,524 2.051,525 3.544,526 0.872,527 1,528 1,531 70.906,532 1.447,533 3.587,534 4.634,535 5.176,536 5.232,537 5.232,538 2.967,539 4.459,540 4.728,541 3.729,542 1308.79,543 8.18,544 17472.8,546 1,548 1,549 275.121,550 1.218,551 4.706,552 0.167,553 0.007,554 0.065,555 0.036,556 0.035,557 0.021,558 0.014,559 0.012,560 0.006,561 0.007,562 0.369,563 0.33,564 1,565 0.454,566 136.221,567 0.02,568 0.112,569 0.046,570 0.055,571 -0.126,572 0.055,573 -0.092,574 -0.059,575 0.003,576 -0.006,577 -0.057,578 0.007,579 0.027,580 -0.044,581 -0.137,582 -0.1,583 -0.024,584 -0.131,585 -0.093,586 -0.055,587 -0.024,588 -0.018,589 -0.059,590 -0.014,591 -0.024,592 -0.116,593 0.008,594 -0.08,595 0.043,596 -0.038,597 -0.059,598 -0.128,599 -0.048,600 -0.104,601 -0.04,602 -0.082,603 -0.014,604 0.086,605 0.039,606 0.055,607 -0.017,608 0.053,609 0.203,610 -0.01,611 0.052,612 -0.001,613 0.156,614 0.007,615 1.402,616 2.392,617 0.778,618 26.617,619 0.994,620 1.121,621 2.351,622 5.529,623 0.68,624 3.434,625 3.738,626 3.989,627 4.234,628 4.431,629 4.431,630 4.575,631 4.691,632 4.7,633 4.754,634 7.121,635 0.644,636 358.48,637 3.434,638 4.963,639 5.802,640 6.666,641 7.52,642 8.388,643 9.25,644 10.121,645 10.987,646 11.861,647 8.2,648 1,651 5}
{0 CHEMBL384304,1 1.968,2 12.033,3 1.658,4 2.749,5 109.44,6 8.657,7 0.375,8 4.056,9 4.16,10 3.858,11 3.537,12 5.251,13 3.538,14 4.617,15 4.777,16 4.158,17 3.908,18 5.995,19 3.907,20 4.88,21 5.061,22 4.271,23 4.064,24 6.262,25 4.058,26 4.97,27 5.157,28 4.23,29 4.054,30 6.454,31 4.03,32 4.944,33 5.176,34 4.081,35 3.955,36 6.289,37 3.925,38 4.789,39 5.011,40 4.025,41 3.819,42 6.221,43 3.798,44 4.649,45 4.869,46 3.851,47 3.69,48 6.013,49 3.657,50 4.55,51 4.811,52 3.677,53 3.553,54 5.847,55 3.48,56 0.25,57 0.925,58 11.052,59 4.708,60 37.82,61 5.191,62 0.752,63 1.413,64 22.484,65 8.115,66 88.598,67 9.215,68 1.11,69 1.841,70 31.381,71 9.87,72 161.414,73 11.228,74 1.469,75 1.667,76 34.955,77 10.782,78 211.429,79 12.687,80 1.361,81 1.548,82 35.038,83 9.377,84 196.719,85 12.633,86 1.248,87 1.518,88 28.584,89 7.928,90 153.265,91 10.233,92 0.992,93 1.329,94 24.279,95 6.467,96 138.479,97 8.546,98 0.894,99 1.003,100 23.773,101 6.066,102 111.734,103 8.642,104 69,105 47,106 0.331,107 0.676,108 0.829,109 0.842,110 0.842,111 0.842,112 3.44,113 1.019,114 -3.31,115 -3.3,116 -3.16,118 35.3,120 2,123 2,124 2,126 1,137 2,138 2,139 3,140 1,142 1,145 1,149 1,155 1,156 1,157 1,162 1,164 4,165 8,166 1,167 3,169 3,170 3,172 1,174 1,180 1,183 3,184 12,185 2,186 3,187 1,188 2,189 1,190 1,191 1,194 1,201 1,203 4,204 2,205 1,206 4,208 4,210 2,211 3,213 2,218 1,221 1,222 4,223 3,224 1,225 2,227 1,229 2,236 1,241 1404,242 19.342,243 19.342,244 19.342,245 19.342,246 19.342,247 17.325,248 28.462,249 10.889,250 19.929,251 15.638,252 15.638,253 15.638,254 15.638,255 15.638,256 12.464,257 46.697,258 5.013,259 16.573,260 3.704,261 1.649,262 0.735,263 0.657,264 0.657,265 0.657,266 4.112,269 1,270 1,271 752,272 3.937,275 332.07,282 2.036,283 65.262,286 1,287 0.83,288 1,289 1,290 0.5,291 1,292 1,293 0.9,294 69.5,295 361,296 4.743,297 4.375,298 7.111,299 4.249,300 3.314,301 4.51,302 0.86,303 11.657,304 3.193,305 4.595,306 3.717,307 6.92,308 4.226,309 3.243,310 4.285,311 0.4,312 11.501,313 3.08,314 4.244,315 3.251,316 6.261,317 3.809,318 2.864,319 3.903,320 0.4,321 9.202,322 2.703,323 3.772,324 2.89,325 5.617,326 3.525,327 2.57,328 3.108,330 7.656,331 2.448,332 3.566,333 2.731,334 5.526,335 3.213,336 2.282,337 2.855,339 6.9,340 2.114,341 3.386,342 2.587,343 5.13,344 3.061,345 2.128,346 2.497,348 6.205,349 1.961,350 3.166,351 2.296,352 4.864,353 2.77,354 1.819,355 2.337,357 5.123,358 1.719,359 2.861,360 2.14,361 4.559,362 2.477,363 1.555,364 1.994,366 4.586,367 1.426,368 2.722,369 1.917,370 4.364,371 2.391,372 1.451,373 1.712,375 3.838,376 1.354,377 2.543,378 1.403,379 3.818,380 2.017,381 1.048,382 1.472,384 2.607,385 0.999,386 2,387 1.245,388 3.414,389 1.984,390 1,391 1,392 2.275,393 0.983,394 1.775,395 1.077,396 3.128,397 1.464,398 0.595,399 0.674,400 1.014,401 0.509,402 1.383,403 0.921,404 2.992,405 1.099,406 0.185,407 0.208,408 0.474,409 0.164,410 1.301,411 0.586,412 2.793,413 0.919,414 0.036,415 0.042,416 0.076,417 0.031,418 1,419 0.362,420 2.655,421 0.696,422 -0.24,423 -0.285,424 -0.539,425 -0.222,426 13.738,427 0.458,428 1.06,429 0.035,430 38,431 1.267,432 18,433 0.6,434 20,435 0.667,436 25.976,437 0.866,438 34.862,439 0.684,440 33.238,441 1.108,442 7.42,443 0.247,444 6.692,445 0.223,446 0.216,447 0.061,448 0.357,451 2,452 0.631,453 1.282,454 0.76,455 1.34,456 0.622,457 1.008,458 0.716,459 0.968,460 0.896,461 1.037,462 0.555,463 0.879,464 1.008,465 1.075,466 1.059,467 1.089,468 0.895,469 0.971,470 0.913,471 0.983,472 1.071,473 1.095,474 0.971,475 1.102,476 0.9,477 0.937,478 0.812,479 0.832,480 0.928,481 0.901,482 0.92,483 0.954,484 0.894,485 0.826,486 0.947,487 0.957,488 1.1,489 1.152,490 1.008,491 1.011,492 1.059,493 1.137,494 0.675,495 0.664,496 0.823,497 0.699,498 0.714,499 0.877,500 8,501 0.198,502 4.444,503 2.938,504 2.2,505 1.347,506 0.709,507 0.602,508 0.32,509 0.276,510 11502,511 44179,512 1.948,513 41.2,515 13,517 1,518 3,521 4,523 1.725,524 1.756,525 3.497,526 1.032,528 1,531 100.387,532 1.968,533 4.023,534 4.937,535 5.015,536 5.015,537 5.015,538 2.944,539 4.282,540 4.877,541 3.762,542 1636.3,543 8.489,544 23148.3,546 1,548 1,549 289.294,550 1.731,551 4.788,552 0.25,553 0.008,554 0.095,555 0.058,556 0.047,557 0.033,558 0.019,559 0.02,560 0.013,561 0.011,562 0.553,563 0.33,564 0.88,565 0.933,566 155.478,567 -0.03,568 -0.177,569 0.16,570 -0.107,571 -0.087,572 0.008,573 0.053,574 0.009,575 0.035,576 0.028,577 0.125,578 0.1,579 -0.111,580 -0.065,581 -0.093,582 -0.057,583 -0.001,584 -0.001,585 0.05,586 -0.055,587 -0.129,588 -0.126,589 0.029,590 -0.141,591 -0.02,592 -0.113,593 0.062,594 0.018,595 -0.027,596 0.077,597 0.067,598 0.07,599 -0.015,600 0.025,601 -0.012,602 -0.027,603 -0.118,604 -0.055,605 -0.13,606 -0.13,607 -0.119,608 -0.199,609 0.093,610 0.144,611 0.096,612 0.127,613 0.022,614 0.084,615 4.15,616 6.204,617 0.6,618 31.387,619 1.037,620 1.15,621 2.083,622 4.337,623 0.651,624 3.497,625 3.871,626 4.111,627 4.317,628 4.511,629 4.564,630 4.575,631 4.644,632 4.718,633 4.796,634 7.355,635 0.64,636 441.51,637 3.497,638 5.069,639 5.922,640 6.817,641 7.686,642 8.581,643 9.455,644 10.349,645 11.226,646 12.121,647 9.8,650 1,651 5}
{0 CHEMBL386051,1 1.798,2 11.517,3 5.639,4 31.799,5 120.773,6 9.853,7 0.563,8 3.925,9 4.019,10 3.771,11 3.606,12 5.109,13 3.562,14 4.407,15 4.542,16 4.162,17 3.993,18 5.588,19 3.932,20 4.606,21 4.736,22 4.319,23 4.134,24 5.827,25 4.071,26 4.7,27 4.859,28 4.382,29 4.114,30 5.972,31 4.039,32 4.663,33 4.826,34 4.251,35 4.029,36 5.964,37 3.963,38 4.617,39 4.812,40 4.146,41 3.951,42 5.833,43 3.877,44 4.534,45 4.731,46 3.974,47 3.865,48 5.693,49 3.748,50 4.302,51 4.512,52 3.657,53 3.654,54 5.367,55 3.54,56 0.062,57 0.634,58 4.901,59 3.483,60 5.832,61 3.942,62 0.276,63 1.063,64 15.091,65 6.695,66 15.962,67 7.366,68 0.221,69 1.204,70 18.348,71 7.991,72 22.414,73 8.664,74 0.529,75 1.319,76 26.419,77 8.739,78 55.763,79 9.068,80 0.52,81 1.234,82 26.674,83 8.87,84 54.382,85 9.532,86 0.468,87 1.253,88 20.133,89 7.782,90 48.556,91 8.535,92 0.517,93 1.032,94 30.247,95 8.419,96 52.307,97 9.549,98 0.234,99 0.934,100 15.167,101 6.238,102 23.228,103 7.134,104 27,105 46,106 0.306,107 0.663,108 0.793,109 0.86,110 0.867,111 0.867,112 3.408,113 1.001,114 -6.15,115 -6,116 -5.57,118 46.7,123 2,132 1,133 1,137 7,138 2,139 4,140 1,142 1,145 1,150 1,162 7,164 3,165 5,167 2,169 2,170 14,174 6,178 1,180 10,183 2,184 7,186 1,188 3,190 9,194 12,198 1,201 5,203 1,204 8,206 1,208 1,210 3,213 9,218 1,220 3,223 6,229 5,232 1,236 4,238 5,241 1246,242 19.524,243 19.524,244 19.524,245 19.524,246 19.524,247 17.033,248 23.154,249 11.236,250 20.289,251 15.691,252 15.691,253 15.691,254 15.691,255 15.691,256 11.815,257 34.898,258 5.237,259 16.867,260 3.694,261 1.593,262 0.826,263 0.434,264 0.389,265 0.389,266 4.103,267 2,270 1,271 722,272 2.739,275 329.857,279 122.501,282 2.017,283 28.142,286 0.75,287 0.83,288 1,289 0.4,291 1,292 1,293 0.71,294 61.667,295 334,296 4.617,297 4.328,298 6.941,299 4.258,300 3.291,301 4.242,302 2.95,303 11.619,304 3.179,305 4.313,306 3.774,307 6.527,308 3.892,309 2.96,310 3.954,311 1.2,312 10.134,313 2.743,314 4.085,315 3.302,316 5.799,317 3.67,318 2.723,319 3.675,320 0.4,321 8.007,322 2.573,323 3.83,324 2.961,325 5.644,326 3.395,327 2.452,328 3.239,329 0.293,330 7.49,331 2.3,332 3.507,333 2.726,334 5.26,335 3.132,336 2.187,337 2.79,339 6.636,340 2.041,341 3.335,342 2.623,343 5.209,344 2.937,345 1.988,346 2.508,348 6.011,349 1.865,350 3.232,351 2.463,352 4.841,353 2.779,354 1.879,355 2.481,357 5.36,358 1.701,359 3.221,360 2.171,361 4.805,362 2.707,363 1.851,364 2.468,366 5.104,367 1.441,368 2.811,369 2.065,370 4.159,371 2.327,372 1.336,373 1.93,375 3.353,376 1.317,377 2.676,378 1.677,379 3.729,380 2.193,381 1.212,382 1.756,384 2.636,385 1.184,386 2.523,387 1.295,388 3.498,389 1.94,390 1.006,391 1.454,392 2.513,393 0.924,394 1.871,395 1.271,396 3.206,397 1.375,398 0.432,399 0.504,400 0.889,401 0.358,402 1.584,403 1.028,404 3.067,405 1.228,406 0.378,407 0.483,408 0.726,409 0.335,410 1.498,411 0.622,412 2.834,413 1.179,414 0.267,415 0.315,416 0.611,417 0.232,418 1.219,419 0.484,420 2.673,421 0.785,422 -0.114,423 -0.145,424 -0.309,425 -0.091,426 14.695,427 0.507,428 0.784,429 0.027,430 41.5,431 1.431,432 22.5,433 0.776,434 19,435 0.655,436 23.796,437 0.821,438 29.105,439 0.647,440 30.981,441 1.068,442 7.908,443 0.273,444 6.066,445 0.209,446 0.188,448 0.367,452 0.672,453 1.185,454 0.554,455 0.775,456 0.588,457 0.759,458 0.627,459 0.845,460 0.771,461 0.835,462 0.563,463 0.74,464 1.049,465 1.286,466 0.929,467 1.026,468 0.93,469 0.963,470 1.303,471 1.02,472 0.912,473 0.872,474 1.473,475 0.933,476 1.013,477 1.226,478 1.027,479 1.151,480 1.016,481 1.07,482 1.178,483 1.023,484 0.734,485 0.735,486 1.191,487 0.849,488 1.149,489 0.929,490 1.288,491 1.066,492 1.056,493 1.081,494 0.857,495 1.031,496 0.736,497 0.938,498 0.769,499 1.023,500 6,501 0.161,502 3.333,503 2.688,504 2.244,505 1.222,506 0.829,507 0.382,508 0.361,509 0.192,510 10610,511 35161,512 2.07,513 35.6,515 14,517 1,518 1,523 1.719,524 1.912,525 3.449,526 -0.302,531 80.895,532 1.798,533 3.899,534 4.666,535 5.058,536 5.103,537 5.103,538 2.935,539 4.323,540 4.826,541 3.639,542 1477.32,543 8.404,544 19614.2,549 247.133,550 1.487,551 4.777,552 0.188,553 0.009,554 0.072,555 0.053,556 0.048,557 0.028,558 0.021,559 0.012,560 0.014,561 0.009,562 0.454,563 0.17,564 0.88,565 0.772,566 146.72,567 -0.055,568 -0.137,569 0.018,570 0.004,571 -0.088,572 0.01,573 0.142,574 0.242,575 -0.004,576 0.08,577 0.068,578 0.113,579 -0.122,580 -0.271,581 -0.081,582 -0.148,583 -0.034,584 -0.105,585 -0.065,586 0.005,587 0.016,588 0.016,589 -0.101,590 -0.048,591 0.129,592 -0.225,593 -0.073,594 -0.247,595 0.168,596 -0.154,597 -0.067,598 0.032,599 0.069,600 0.134,601 -0.024,602 0.073,603 -0.026,604 0.026,605 -0.147,606 -0.104,607 -0.058,608 -0.072,609 -0.097,610 0.009,611 -0.001,612 -0.004,613 -0.055,614 -0.04,615 1.901,616 6.003,617 0.759,618 29.757,619 1.014,620 1.109,621 4.922,622 24.223,623 0.759,624 3.497,625 3.85,626 4.159,627 4.443,628 4.7,629 4.779,630 4.913,631 5.081,632 5.215,633 5.263,634 6.704,635 0.718,636 443.38,637 3.497,638 5.056,639 5.927,640 6.823,641 7.71,642 8.612,643 9.506,644 10.412,645 11.31,646 12.218,647 8.9,651 5}
{0 CHEMBL428690,1 1.621,2 9.179,3 3.058,4 9.351,5 107.239,6 8.372,7 0.387,8 3.998,9 4.081,10 3.643,11 3.551,12 5.185,13 3.547,14 4.526,15 4.657,16 4.068,17 3.981,18 5.672,19 3.964,20 4.86,21 5.01,22 4.257,23 4.182,24 6.024,25 4.146,26 4.993,27 5.169,28 4.32,29 4.174,30 6.329,31 4.136,32 4.957,33 5.122,34 4.179,35 4.12,36 6.224,37 4.086,38 4.873,39 5.039,40 4.168,41 4.068,42 6.187,43 4.031,44 4.776,45 4.936,46 4.086,47 3.998,48 6.148,49 3.954,50 4.756,51 4.918,52 3.985,53 3.903,54 6.093,55 3.826,56 0.15,57 0.625,58 8.515,59 4.62,60 23.107,61 5.139,62 0.27,63 1.055,64 16.568,65 7.705,66 29.558,67 9.058,68 0.531,69 1.357,70 27.094,71 11.206,72 68.163,73 13.079,74 1.093,75 1.46,76 36.08,77 12.755,78 133.607,79 15.517,80 1.022,81 1.382,82 34.357,83 11.916,84 133.424,85 13.411,86 0.905,87 1.309,88 30.036,89 10.934,90 121.366,91 12.641,92 0.696,93 1.213,94 25.512,95 9.96,96 115.959,97 11.638,98 0.931,99 1.116,100 29.706,101 9.737,102 118.433,103 10.744,104 37,105 46,106 0.275,107 0.664,108 0.835,109 0.897,110 0.911,111 0.911,112 3.376,113 0.908,114 -3.46,115 -3.44,116 -3.29,118 43.8,120 1,121 1,123 1,124 2,126 1,132 1,134 1,137 5,138 3,139 4,149 1,162 6,165 7,169 5,170 12,174 3,176 1,178 3,180 7,183 1,184 9,186 3,187 1,188 4,190 10,194 3,196 1,197 1,198 3,201 5,203 1,204 6,206 2,208 4,210 10,213 1,216 1,217 1,218 4,220 7,222 1,223 2,225 1,227 7,229 7,232 1,236 5,238 2,241 1194,242 18.499,243 18.499,244 18.499,245 18.499,246 18.499,247 16.626,248 20.975,249 10.547,250 18.887,251 15.261,252 15.261,253 15.261,254 15.261,255 15.261,256 12.373,257 26.694,258 4.972,259 15.985,260 3.964,261 1.681,262 0.674,263 0.307,264 0.224,265 0.224,266 4.066,267 1,269 1,270 1,271 553,272 2.449,275 286.945,279 111.001,282 1.217,283 47.636,286 1,287 1,288 1,289 0.8,290 0.5,291 1,292 1,293 0.9,294 61.833,295 257,296 4.68,297 3.71,298 7.072,299 4.331,300 3.355,301 4.38,302 0.86,303 12.191,304 3.274,305 4.328,306 3.357,307 6.511,308 3.955,309 2.991,310 3.939,311 0.8,312 10.125,313 2.89,314 4.047,315 3.221,316 6.393,317 3.805,318 2.836,319 3.385,321 9.659,322 2.725,323 3.67,324 2.916,325 5.686,326 3.402,327 2.441,328 2.942,330 7.384,331 2.336,332 3.508,333 2.645,334 5.27,335 3.116,336 2.189,337 2.654,339 6.377,340 2.02,341 3.267,342 2.55,343 5.016,344 2.903,345 1.979,346 2.499,348 5.617,349 1.812,350 3.087,351 2.273,352 4.948,353 2.779,354 1.829,355 2.17,357 5.502,358 1.726,359 2.963,360 2.142,361 4.719,362 2.65,363 1.673,364 2.017,366 4.653,367 1.609,368 2.86,369 1.68,370 4.184,371 2.352,372 1.414,373 1.986,375 3.565,376 1.307,377 2.572,378 1.589,379 3.922,380 2.324,381 1.365,382 1.548,384 3.106,385 1.249,386 2.384,387 1.186,388 3.589,389 2.046,390 1.071,391 1.376,392 2.745,393 1.037,394 1.581,395 0.818,396 3.418,397 1.382,398 0.444,399 0.481,400 1.154,401 0.412,402 1.393,403 0.768,404 3.084,405 0.931,406 -0.013,407 -0.016,408 -0.035,409 -0.011,410 1.159,411 0.364,412 2.696,413 0.696,414 -0.252,415 -0.275,416 -0.615,417 -0.204,418 0.876,419 0.093,420 2.523,421 0.636,422 -0.275,423 -0.387,424 -0.689,425 -0.244,426 13.281,427 0.474,428 0.895,429 0.032,430 34.5,431 1.232,432 16.5,433 0.589,434 18,435 0.643,436 25.875,437 0.924,438 30.519,439 0.636,440 28.891,441 1.032,442 6.776,443 0.242,444 6.587,445 0.235,446 0.192,448 0.444,452 0.873,453 1.115,454 0.646,455 0.899,456 0.849,457 0.837,458 0.804,459 1.014,460 0.673,461 0.896,462 0.616,463 0.841,464 0.989,465 1.074,466 0.86,467 1.032,468 0.93,469 0.985,470 0.789,471 0.975,472 0.808,473 0.994,474 0.718,475 0.917,476 1.364,477 0.904,478 0.988,479 0.883,480 1.281,481 0.91,482 1.137,483 0.949,484 0.828,485 0.899,486 1.198,487 0.92,488 1.051,489 1.153,490 0.869,491 1.036,492 1.263,493 1.043,494 1.388,495 1.055,496 1.27,497 1.081,498 1.588,499 1.181,500 6,501 0.091,502 3.778,503 3.125,504 2.316,505 1.465,506 1.157,507 0.639,508 0.39,509 0.138,510 8277,511 25573,512 2.051,513 41.7,515 14,518 3,520 3,523 1.72,524 1.867,525 3.146,526 0.917,527 1,528 1,531 77.791,532 1.621,533 3.904,534 4.911,535 5.278,536 5.361,537 5.361,538 2.594,539 4.45,540 4.78,541 3.27,542 1236.14,543 8.363,544 15412.4,546 1,548 1,549 268.078,550 1.531,551 4.711,552 0.194,553 0.011,554 0.082,555 0.06,556 0.045,557 0.031,558 0.026,559 0.016,560 0.013,561 0.007,562 0.484,563 0.5,564 1,565 0.648,566 136.101,567 -0.119,568 0.009,569 -0.008,570 0.08,571 -0.13,572 0.069,573 -0.078,574 0.11,575 0.044,576 0.064,577 0.01,578 0.087,579 -0.076,580 -0.052,581 -0.007,582 -0.055,583 -0.074,584 -0.032,585 0.259,586 -0.015,587 0.142,588 -0.019,589 0.234,590 0.058,591 -0.134,592 0.049,593 -0.067,594 0.076,595 -0.115,596 0.031,597 -0.013,598 0.031,599 0.037,600 0.055,601 -0.015,602 0.024,603 -0.01,604 -0.153,605 -0.013,606 -0.08,607 0.021,608 -0.1,609 -0.137,610 -0.097,611 -0.182,612 -0.104,613 -0.207,614 -0.244,615 2.114,616 5.769,617 0.786,618 21.786,619 1.019,620 1.118,621 2.232,622 4.982,623 0.682,624 3.466,625 3.85,626 4.174,627 4.511,628 4.779,629 4.942,630 5.094,631 5.247,632 5.342,633 5.357,634 5.48,635 0.66,636 401.87,637 3.466,638 5.043,639 5.927,640 6.845,641 7.747,642 8.672,643 9.583,644 10.511,645 11.427,646 12.357,647 2.1,650 1,651 5}
{0 CHEMBL440084,1 1.606,2 10.207,3 3.447,4 11.883,5 105.223,6 8.543,7 0.697,8 3.957,9 4.051,10 3.643,11 3.535,12 5.176,13 3.553,14 4.434,15 4.545,16 4.02,17 3.915,18 5.695,19 3.921,20 4.594,21 4.749,22 4.013,23 3.993,24 5.775,25 3.97,26 4.636,27 4.811,28 3.971,29 3.955,30 5.818,31 3.931,32 4.634,33 4.841,34 3.904,35 3.946,36 5.704,37 3.9,38 4.537,39 4.718,40 3.938,41 3.936,42 5.626,43 3.901,44 4.564,45 4.719,46 3.968,47 3.968,48 5.784,49 3.929,50 4.65,51 4.842,52 3.824,53 3.933,54 5.743,55 3.866,56 0.091,57 0.655,58 6.777,59 3.634,60 10.769,61 3.86,62 0.358,63 1.025,64 12.66,65 6.118,66 30.868,67 6.582,68 0.281,69 1.217,70 16.452,71 7.467,72 30.44,73 8.617,74 0.381,75 1.307,76 18.12,77 7.115,78 39.711,79 8.049,80 0.402,81 1.283,82 20.227,83 7.627,84 41.858,85 9.495,86 0.301,87 1.153,88 16.713,89 7.191,90 25.33,91 9.034,92 0.409,93 1.179,94 15.762,95 7.249,96 34.503,97 8.666,98 0.37,99 1.215,100 20.011,101 8.451,102 36.154,103 10.198,104 6,105 47,106 0.27,107 0.585,108 0.727,109 0.843,110 0.879,111 0.879,112 3.409,113 0.819,114 -3.52,115 -3.5,116 -3.34,118 48.9,125 1,137 10,138 3,139 2,140 1,141 2,147 1,150 1,153 1,155 1,156 1,157 1,162 11,164 1,165 7,166 1,167 2,169 2,170 9,172 1,174 11,176 1,178 6,180 4,182 2,183 1,184 9,188 7,190 2,191 2,193 1,194 6,198 4,201 8,202 1,203 1,204 4,206 1,210 14,212 2,213 4,215 1,216 3,217 1,219 1,220 15,222 1,223 6,229 10,232 7,236 1,238 4,240 1,241 1410,242 20.016,243 20.016,244 20.016,245 20.016,246 20.016,247 17.268,248 9.425,249 11.747,250 20.301,251 16.319,252 16.319,253 16.319,254 16.319,255 16.319,256 12.105,257 10.192,258 5.588,259 16.805,260 3.886,261 2.017,262 1.174,263 0.48,264 0.267,265 0.267,266 4.121,268 1,269 1,270 1,271 661,272 2.739,274 145.328,275 257.096,278 117.324,282 1.539,283 27.491,286 1,287 1,288 1,289 0.4,291 1,292 1,293 0.77,294 63,295 296,296 4.579,297 3.5,298 6.753,299 4.181,300 3.216,301 4.316,302 1.392,303 11.107,304 3.103,305 4.266,306 3.33,307 6.197,308 3.871,309 2.912,310 3.898,311 0.98,312 9.258,313 2.832,314 4.169,315 3.163,316 6.09,317 3.79,318 2.799,319 3.757,320 0.532,321 8.836,322 2.726,323 3.913,324 2.699,325 5.879,326 3.55,327 2.562,328 3.388,330 8.04,331 2.525,332 3.745,333 2.459,334 5.714,335 3.362,336 2.392,337 3.149,339 7.621,340 2.31,341 3.296,342 2.074,343 4.752,344 2.814,345 1.84,346 2.62,348 5.082,349 1.787,350 2.998,351 1.991,352 4.378,353 2.514,354 1.534,355 2.177,357 4.219,358 1.501,359 2.886,360 1.854,361 4.271,362 2.478,363 1.527,364 2.025,366 3.759,367 1.439,368 2.736,369 1.658,370 3.937,371 2.267,372 1.277,373 1.787,375 3.112,376 1.258,377 2.5,378 1.385,379 3.713,380 2.092,381 1.096,382 1.5,384 2.65,385 1.088,386 2.5,387 1.04,388 3.458,389 2,390 1,391 1.5,392 2.327,393 1,394 2.462,395 1,396 3.428,397 1.959,398 1,399 1.415,400 2.275,401 0.956,402 2.293,403 1,404 3.414,405 1.894,406 0.912,407 1.208,408 2.157,409 0.892,410 2.156,411 0.823,412 3.247,413 1.718,414 0.787,415 1.097,416 2.136,417 0.731,418 1.628,419 0.688,420 3.034,421 1.319,422 0.39,423 0.468,424 0.975,425 0.359,426 13.6,427 0.469,428 0.657,429 0.023,430 44,431 1.517,432 24.5,433 0.845,434 19.5,435 0.672,436 18.84,437 0.65,438 29,439 0.644,440 33.225,441 1.146,442 8.944,443 0.308,444 5.242,445 0.181,446 0.054,448 0.368,452 0.866,453 1.081,454 0.673,455 0.9,456 0.77,457 0.766,458 0.921,459 1.038,460 0.805,461 0.92,462 0.613,463 0.862,464 0.909,465 1.175,466 0.938,467 1.071,468 0.884,469 1.025,470 1.106,471 1.176,472 1.114,473 1.021,474 1.057,475 1.043,476 0.834,477 0.945,478 0.952,479 0.835,480 0.844,481 0.882,482 0.583,483 0.99,484 0.788,485 0.921,486 0.441,487 0.894,488 0.617,489 0.918,490 0.972,491 1.055,492 0.543,493 1.084,494 0.926,495 0.974,496 1.116,497 1.133,498 0.861,499 1.156,500 5,501 0.123,502 3.556,503 1.542,504 1.532,505 1.153,506 0.513,507 0.323,508 0.36,509 0.249,510 10909,511 32410,512 2.193,513 35.6,515 10,516 2,517 1,518 3,523 1.725,524 2.096,525 3.32,526 0.891,528 1,531 72.271,532 1.606,533 3.474,534 4.318,535 5.012,536 5.225,537 5.225,538 2.767,539 4.306,540 4.825,541 3.507,542 1423.8,543 8.438,544 18918.4,546 1,548 1,549 247.133,550 1.247,551 4.809,552 0.152,553 0.006,554 0.076,555 0.034,556 0.036,557 0.028,558 0.012,559 0.008,560 0.01,561 0.009,562 0.369,563 0.33,564 0.88,565 0.601,566 145.519,567 -0.102,568 -0.021,569 0.032,570 0.016,571 -0.152,572 0.053,573 0.074,574 -0.02,575 -0.005,576 0.016,577 0.084,578 -0.011,579 -0.082,580 -0.168,581 -0.066,582 -0.117,583 -0.032,584 -0.099,585 -0.194,586 -0.105,587 -0.198,588 -0.104,589 -0.147,590 -0.139,591 -0.07,592 0.09,593 0.024,594 0.124,595 -0.082,596 0.108,597 0.095,598 0.02,599 0.118,600 0.049,601 0.066,602 0.082,603 0.187,604 0.101,605 -0.107,606 -0.103,607 0.105,608 -0.159,609 -0.05,610 -0.03,611 -0.133,612 -0.133,613 -0.085,614 -0.141,615 2.133,616 4.338,617 0.897,618 27.581,619 1.015,620 1.114,621 2.293,622 5.256,623 0.71,624 3.526,625 3.871,626 4.19,627 4.477,628 4.718,629 4.898,630 5.1,631 5.263,632 5.434,633 5.572,634 6.293,635 0.698,636 384.42,637 3.526,638 5.081,639 5.953,640 6.843,641 7.732,642 8.63,643 9.527,644 10.43,645 11.332,646 12.238,647 8.9,651 5}
{0 CHEMBL445813,1 1.842,2 10.12,3 1.599,4 2.557,5 95.872,6 9.102,7 0.407,8 3.859,9 3.982,10 3.576,11 3.39,12 5.015,13 3.383,14 4.388,15 4.548,16 3.967,17 3.795,18 5.554,19 3.756,20 4.68,21 4.897,22 4.075,23 3.91,24 5.81,25 3.833,26 4.655,27 4.867,28 4.232,29 3.795,30 6.037,31 3.747,32 4.505,33 4.704,34 3.776,35 3.629,36 5.817,37 3.6,38 4.35,39 4.516,40 3.873,41 3.634,42 5.752,43 3.61,44 4.413,45 4.599,46 3.951,47 3.659,48 5.635,49 3.611,50 4.405,51 4.639,52 3.707,53 3.471,54 5.673,55 3.399,56 0.148,57 0.646,58 6.342,59 3.323,60 12.313,61 4.067,62 0.331,63 0.991,64 13.408,65 5.864,66 29.161,67 7.513,68 0.599,69 1.112,70 27.014,71 8.588,72 63.36,73 11.089,74 0.864,75 0.999,76 33.747,77 8.087,78 86.415,79 10.181,80 0.729,81 0.875,82 25.159,83 6.457,84 92.216,85 7.553,86 0.557,87 0.856,88 15.19,89 5.304,90 80.521,91 6.381,92 0.525,93 0.886,94 19.94,95 5.395,96 46.277,97 6.851,98 0.651,99 0.797,100 23.465,101 5.815,102 65.239,103 7.623,104 17,105 37,106 0.324,107 0.692,108 0.811,109 0.831,110 0.831,111 0.831,112 3.267,113 0.958,114 -2.99,115 -2.99,116 -2.89,118 38.1,120 2,124 2,126 1,137 3,138 1,139 3,141 1,146 1,150 2,160 1,162 2,165 1,167 2,169 5,170 8,173 1,176 2,177 1,180 3,184 6,186 2,187 3,188 4,190 3,193 1,194 4,196 1,198 2,203 1,204 1,206 2,208 5,213 4,216 1,218 4,223 7,226 2,227 5,229 2,232 1,236 1,241 922,242 16.759,243 16.759,244 16.759,245 16.759,246 16.759,247 15.097,248 24.567,249 9.973,250 17.176,251 13.306,252 13.306,253 13.306,254 13.306,255 13.306,256 10.783,257 37.709,258 4.7,259 14.045,260 3.55,261 1.459,262 0.78,263 0.667,264 0.667,265 0.667,266 3.944,267 2,268 1,269 1,270 1,271 536,272 3.317,274 74.159,275 170.857,282 1.645,283 34.169,286 1,287 1,288 1,289 0.8,290 0.5,291 1,292 1,293 0.9,294 55.167,295 253,296 4.466,297 3.695,298 6.686,299 4.079,300 3.119,301 4.113,302 1.058,303 10.64,304 2.991,305 4.335,306 3.587,307 6.457,308 3.945,309 2.978,310 3.961,311 1.058,312 9.962,313 2.853,314 3.629,315 3.041,316 5.445,317 3.486,318 2.521,319 2.791,320 0.4,321 7.218,322 2.428,323 3.415,324 2.664,325 5.079,326 3.074,327 2.097,328 2.602,330 5.885,331 2.012,332 3.232,333 2.623,334 4.841,335 2.815,336 1.879,337 2.481,339 5.104,340 1.785,341 3.205,342 2.52,343 4.72,344 2.707,345 1.821,346 2.298,348 4.787,349 1.441,350 2.715,351 1.779,352 3.883,353 2.351,354 1.418,355 1.79,357 3.177,358 1.319,359 2.521,360 1.388,361 3.668,362 2.233,363 1.263,364 1.487,366 2.88,367 1.214,368 2.46,369 1.357,370 3.517,371 2.012,372 1.035,373 1.458,375 2.412,376 0.987,377 2.236,378 1.077,379 3.36,380 1.984,381 1,382 1.062,384 2.136,385 0.983,386 2,387 1.038,388 3.247,389 1.716,390 0.756,391 1,392 1.911,393 0.719,394 1.179,395 0.888,396 2.761,397 0.804,398 -0.053,399 -0.06,400 -0.137,401 -0.036,402 1.03,403 0.473,404 2.558,405 0.745,406 -0.214,407 -0.241,408 -0.51,409 -0.203,410 1,411 0.275,412 2.352,413 0.557,414 -0.347,415 -0.445,416 -0.757,417 -0.229,418 1,419 0.173,420 2.154,421 0.473,422 -0.453,423 -0.622,424 -1.076,425 -0.429,426 12.095,427 0.484,428 0.613,429 0.025,430 30,431 1.2,432 13.5,433 0.54,434 16.5,435 0.66,436 21.321,437 0.853,438 27.505,439 0.655,440 22.362,441 0.894,442 5.934,443 0.237,444 6.124,445 0.245,446 0.173,448 0.331,452 0.716,453 1.267,454 0.557,455 0.844,456 0.539,457 0.817,458 0.685,459 1.336,460 0.649,461 0.96,462 0.542,463 0.974,464 0.878,465 0.966,466 0.823,467 0.885,468 0.826,469 0.905,470 0.814,471 0.893,472 0.764,473 0.957,474 0.936,475 0.863,476 1.621,477 0.849,478 1.015,479 0.778,480 1.968,481 0.814,482 1.142,483 1.165,484 0.731,485 0.77,486 1.282,487 0.852,488 1.019,489 1.256,490 1.043,491 1.123,492 0.877,493 1.099,494 0.848,495 0.941,496 0.894,497 1.074,498 0.8,499 1.046,500 4.5,501 0.087,502 2.889,503 2.25,504 1.169,505 0.802,506 0.409,507 0.401,508 0.155,509 0.166,510 6986,511 23382,512 2.038,513 40.5,515 8,516 1,518 4,521 4,523 1.681,524 1.899,525 3.288,526 1.855,527 1,528 1,531 77.381,532 1.842,533 3.933,534 4.612,535 4.726,536 4.726,537 4.726,538 2.699,539 4.084,540 4.618,541 3.468,542 1040.39,543 7.99,544 12671.9,545 1,546 1,548 1,549 226.477,550 1.44,551 4.569,552 0.167,553 0.006,554 0.078,555 0.061,556 0.032,557 0.027,558 0.013,559 0.013,560 0.007,561 0.011,562 0.415,563 0.17,564 1,565 0.609,566 120.624,567 -0.082,568 0.014,569 -0.005,570 0.053,571 -0.028,572 0.051,573 0.017,574 -0.171,575 0.012,576 -0.046,577 0.061,578 -0.062,579 0.003,580 0.02,581 0.074,582 0.075,583 0.016,584 0.079,585 0.308,586 0.044,587 0.281,588 0.013,589 0.246,590 0.107,591 -0.297,592 0.094,593 -0.123,594 0.147,595 -0.29,596 0.101,597 -0.041,598 -0.087,599 0.005,600 0.127,601 0.033,602 0.027,603 -0.063,604 -0.164,605 -0.073,606 -0.204,607 -0.091,608 -0.203,609 0.149,610 0.021,611 0.04,612 -0.154,613 0.15,614 -0.09,615 2.173,616 5.457,617 0.68,618 20.576,619 1.024,620 1.136,621 1.762,622 3.104,623 0.69,624 3.332,625 3.638,626 3.892,627 4.127,628 4.159,629 4.159,630 4.19,631 4.277,632 4.248,633 4.263,634 6.073,635 0.664,636 382.28,637 3.332,638 4.86,639 5.7,640 6.569,641 7.421,642 8.295,643 9.152,644 10.028,645 10.887,646 11.765,647 11.9,649 1,651 5}
{0 CHEMBL450786,1 1.709,2 15.419,3 5.69,4 32.372,5 171.59,6 8.333,7 0.354,8 4.444,9 4.548,10 4.198,11 4.062,12 5.463,13 4.009,14 5.04,15 5.2,16 4.583,17 4.506,18 6.166,19 4.438,20 5.321,21 5.513,22 4.683,23 4.666,24 6.394,25 4.564,26 5.408,27 5.607,28 4.83,29 4.684,30 6.545,31 4.57,32 5.401,33 5.596,34 4.765,35 4.644,36 6.664,37 4.572,38 5.397,39 5.589,40 4.677,41 4.71,42 6.491,43 4.618,44 5.514,45 5.744,46 4.543,47 4.69,48 6.624,49 4.552,50 5.394,51 5.657,52 4.505,53 4.555,54 6.445,55 4.424,56 0.103,57 1.119,58 16.315,59 7.664,60 19.103,61 9.196,62 0.432,63 1.915,64 33.013,65 13.56,66 60.785,67 16.999,68 0.543,69 2.361,70 50.142,71 18.564,72 72.916,73 22.885,74 0.8,75 2.44,76 71.194,77 21.227,78 111.978,79 25.272,80 1.257,81 2.442,82 60.205,83 19.039,84 174.294,85 22.646,86 0.613,87 2.549,88 50.627,89 19.7,90 91.259,91 24.792,92 1.002,93 2.683,94 63.53,95 22.144,96 174.246,97 28.851,98 1.048,99 2.376,100 61.829,101 20.224,102 139.649,103 26.655,104 65,105 72,106 0.26,107 0.587,108 0.76,109 0.844,110 0.855,111 0.855,112 3.788,113 1.062,114 -5.08,115 -4.97,116 -4.66,118 41.6,119 2,120 4,124 5,126 1,132 1,133 1,137 6,138 4,139 4,147 2,150 2,162 10,164 2,165 7,167 1,169 7,170 14,173 1,174 11,178 5,180 11,184 13,186 2,188 1,190 14,193 1,194 17,196 1,197 1,198 2,201 11,204 9,206 2,208 5,210 19,212 2,213 7,216 1,218 3,220 19,222 2,223 6,225 4,229 13,232 7,236 7,238 13,241 3944,242 28.471,243 28.471,244 28.471,245 28.471,246 28.471,247 25.597,248 34.756,249 16.142,250 29.237,251 23.629,252 23.629,253 23.629,254 23.629,255 23.629,256 19.074,257 41.308,258 7.618,259 24.995,260 4.558,261 2.406,262 1.27,263 0.715,264 0.643,265 0.643,266 4.49,267 2,270 1,271 1458,272 4.416,274 471.68,275 277.559,278 190.395,282 2.428,283 63.153,286 0.75,287 0.67,288 0.83,289 0.7,290 0.5,291 0.83,292 1,293 0.75,294 92.667,295 663,296 4.876,297 5.264,298 7.324,299 4.322,300 3.428,301 4.726,302 3.272,303 12.597,304 3.246,305 4.628,306 3.784,307 6.944,308 4.262,309 3.289,310 4.334,311 1.2,312 11.598,313 3.15,314 4.473,315 3.655,316 6.722,317 4.114,318 3.143,319 4.056,320 1.058,321 10.934,322 2.888,323 4.283,324 3.404,325 6.371,326 3.849,327 2.902,328 3.942,329 0.8,330 9.6,331 2.753,332 4.024,333 3.118,334 6.347,335 3.802,336 2.881,337 3.237,338 0.293,339 9.523,340 2.591,341 3.682,342 2.898,343 5.655,344 3.436,345 2.498,346 3.014,348 7.442,349 2.347,350 3.545,351 2.862,352 5.449,353 3.226,354 2.237,355 2.648,357 6.92,358 2.197,359 3.348,360 2.623,361 5.326,362 3.058,363 2.054,364 2.481,366 6.371,367 2.049,368 3.232,369 2.592,370 4.891,371 2.773,372 1.879,373 2.465,375 5.282,376 1.752,377 3.106,378 2.569,379 4.874,380 2.707,381 1.79,382 2.283,384 5.104,385 1.66,386 3.08,387 2.202,388 4.841,389 2.687,390 1.716,391 2.199,392 5.043,393 1.525,394 3.007,395 1.951,396 4.711,397 2.546,398 1.556,399 2.125,400 4.558,401 1.441,402 2.869,403 1.559,404 4.53,405 2.381,406 1.408,407 2.023,408 4.077,409 1.377,410 2.696,411 1.497,412 3.977,413 2.377,414 1.381,415 1.708,416 3.347,417 1.363,418 2.382,419 1.484,420 3.823,421 2.255,422 1.264,423 1.329,424 2.872,425 1.249,426 21.195,427 0.493,428 1.4,429 0.033,430 52,431 1.209,432 24,433 0.558,434 28,435 0.651,436 49.793,437 1.158,438 46.605,439 0.605,440 46.707,441 1.086,442 9.535,443 0.222,444 10.995,445 0.256,446 0.177,447 0.039,448 0.368,452 0.56,453 1.296,454 0.667,455 1.043,456 0.552,457 0.91,458 0.642,459 1.122,460 0.724,461 0.908,462 0.494,463 0.873,464 0.982,465 1.043,466 0.913,467 0.977,468 0.862,469 0.984,470 1.085,471 1.082,472 0.911,473 1.016,474 1.133,475 0.994,476 1.237,477 0.86,478 0.859,479 0.853,480 1.374,481 0.831,482 0.871,483 1.14,484 0.765,485 1.027,486 0.903,487 1.033,488 0.935,489 1.033,490 0.855,491 0.963,492 0.942,493 1.076,494 0.754,495 0.708,496 0.664,497 0.654,498 0.788,499 0.705,500 10,501 0.311,502 6.444,503 4.778,504 2.982,505 2.146,506 1.342,507 0.884,508 0.79,509 0.592,510 33014,511 90226,512 2.078,513 44.2,514 3,515 18,518 2,519 3,520 8,523 1.818,524 1.904,525 3.861,526 0.137,531 131.569,532 1.709,533 3.861,534 4.997,535 5.552,536 5.624,537 5.624,538 3.327,539 5.101,540 5.397,541 4.079,542 3683.76,543 9.554,544 66496.7,549 482.543,550 1.634,551 5.334,552 0.208,553 0.006,554 0.09,555 0.065,556 0.041,557 0.028,558 0.017,559 0.014,560 0.013,561 0.01,562 0.492,563 0.17,564 0.75,565 0.578,566 247.671,567 0.024,568 -0.094,569 0.094,570 -0.011,571 -0.063,572 0.036,573 0.1,574 0.012,575 0.057,576 0.059,577 0.153,578 0.072,579 -0.09,580 0.01,581 -0.016,582 0.001,583 -0.008,584 -0.019,585 -0.014,586 -0.083,587 0.119,588 -0.006,589 -0.03,590 -0.015,591 0.031,592 0.16,593 0.063,594 0.106,595 0.028,596 0.106,597 -0.013,598 -0.101,599 -0.022,600 -0.091,601 0.006,602 -0.074,604 -0.076,605 -0.043,606 -0.061,607 0.038,608 -0.099,609 0.138,610 0.245,611 0.201,612 0.284,613 0.092,614 0.297,615 4.753,616 6.841,617 0.698,618 55.549,619 1.008,620 1.121,621 3.847,622 14.797,623 0.693,624 3.892,625 4.29,626 4.605,627 4.898,628 5.063,629 5.193,630 5.361,631 5.537,632 5.649,633 5.762,634 8.971,635 0.652,636 641.67,637 3.892,638 5.485,639 6.368,640 7.283,641 8.182,642 9.098,643 10.003,644 10.92,645 11.83,646 12.748,647 5.2,650 1,651 5}
{0 CHEMBL464552,1 1.705,2 13.282,3 3.582,4 12.832,5 146.018,6 7.833,7 0.512,8 4.338,9 4.466,10 3.94,11 3.803,12 5.502,13 3.818,14 4.868,15 5.055,16 4.32,17 4.196,18 6.012,19 4.197,20 5.056,21 5.235,22 4.419,23 4.335,24 6.24,25 4.322,26 5.189,27 5.394,28 4.486,29 4.357,30 6.484,31 4.341,32 5.204,33 5.413,34 4.396,35 4.351,36 6.39,37 4.335,38 5.181,39 5.389,40 4.423,41 4.424,42 6.317,43 4.38,44 5.271,45 5.504,46 4.445,47 4.439,48 6.349,49 4.386,50 5.233,51 5.467,52 4.417,53 4.344,54 6.455,55 4.302,56 0.14,57 1.145,58 13.017,59 5.346,60 11.905,61 7.044,62 0.598,63 1.77,64 26.231,65 8.877,66 38.466,67 12.021,68 0.595,69 2.097,70 31.387,71 11.003,72 54.569,73 14.684,74 1.037,75 2.227,76 38.99,77 12.605,78 120.109,79 17.169,80 1.107,81 2.207,82 40.42,83 10.99,84 114.841,85 14.934,86 0.833,87 2.287,88 37.677,89 12.764,90 82.724,91 17.538,92 0.818,93 2.357,94 42.849,95 13.696,96 73.703,97 20.019,98 1.225,99 2.253,100 42.727,101 12.703,102 110.6,103 18.261,104 64,105 62,106 0.266,107 0.643,108 0.815,109 0.874,110 0.874,111 0.874,112 3.693,113 0.861,114 -3.75,115 -3.71,116 -3.53,118 39.7,120 1,123 4,124 2,137 6,138 3,139 5,142 1,145 1,146 1,150 2,153 1,162 5,164 2,165 7,167 5,169 7,170 5,173 2,174 5,176 1,178 3,180 3,184 10,186 4,187 4,188 5,190 2,193 3,194 8,198 3,201 3,203 3,204 7,206 2,208 7,210 3,212 1,213 5,216 3,218 5,220 3,222 4,223 3,225 5,226 2,227 4,229 4,231 2,232 3,236 2,238 5,241 3005,242 26.273,243 26.273,244 26.273,245 26.273,246 26.273,247 23.417,248 39.545,249 15.139,250 27.026,251 21.102,252 21.102,253 21.102,254 21.102,255 21.102,256 16.47,257 63.795,258 6.997,259 22.185,260 4.383,261 1.967,262 0.865,263 0.486,264 0.486,265 0.486,266 4.393,271 1114,272 4.472,274 181.801,275 318.607,278 315.729,282 1.893,283 49.981,286 0.5,287 0.67,288 0.67,289 0.6,290 0.5,291 0.67,292 1,293 0.66,294 86.5,295 518,296 4.574,297 3.793,298 6.729,299 4.167,300 3.204,301 4.503,302 1.989,303 10.944,304 3.084,305 4.488,306 3.644,307 6.721,308 4.125,309 3.156,310 4.128,311 1.058,312 10.873,313 3.064,314 4.436,315 3.253,316 6.535,317 4.004,318 3.037,319 4.109,320 0.86,321 10.317,322 2.926,323 4.026,324 3.148,325 6.141,326 3.714,327 2.762,328 3.354,329 0.835,330 9.034,331 2.624,332 3.674,333 2.934,334 5.595,335 3.351,336 2.387,337 3.043,338 0.543,339 7.253,340 2.301,341 3.561,342 2.855,343 5.335,344 3.148,345 2.208,346 2.881,347 0.4,348 6.66,349 2.09,350 3.507,351 2.48,352 5.271,353 3.113,354 2.189,355 2.793,356 0.4,357 6.606,358 2.013,359 3.403,360 2.458,361 4.952,362 2.974,363 2.007,364 2.65,366 5.386,367 1.908,368 3.194,369 2.403,370 4.87,371 2.881,372 1.941,373 2.456,375 5.308,376 1.813,377 3.106,378 1.997,379 4.807,380 2.727,381 1.789,382 2.26,384 5.177,385 1.665,386 2.952,387 1.963,388 4.534,389 2.603,390 1.64,391 1.988,392 4.559,393 1.571,394 2.69,395 1.76,396 3.976,397 2.219,398 1.232,399 1.741,400 2.912,401 1.211,402 2.606,403 1.347,404 3.78,405 2.111,406 1.153,407 1.655,408 2.741,409 1.102,410 2.314,411 1.312,412 3.733,413 2.069,414 1.087,415 1.231,416 2.719,417 1.059,418 2.234,419 1.129,420 3.699,421 1.936,422 1,423 1.163,424 2.461,425 0.928,426 17.986,427 0.461,428 1.062,429 0.027,430 52.25,431 1.34,432 25,433 0.641,434 27.25,435 0.699,436 34.987,437 0.897,438 42.614,439 0.627,440 48.504,441 1.244,442 10.734,443 0.275,444 8.048,445 0.206,446 0.164,448 0.406,451 1,452 0.782,453 1.409,454 0.738,455 1.157,456 0.565,457 0.965,458 0.832,459 0.905,460 0.753,461 0.786,462 0.573,463 0.747,464 1.008,465 1.277,466 0.942,467 1.147,468 1.003,469 1.048,470 0.924,471 1.029,472 0.859,473 1.043,474 1.023,475 0.965,476 1.472,477 1.015,478 1.18,479 0.848,480 1.47,481 0.917,482 0.901,483 1.037,484 0.984,485 1.032,486 0.808,487 1.026,488 0.706,489 1.101,490 0.856,491 1.055,492 0.599,493 0.993,494 0.824,495 0.855,496 0.9,497 0.921,498 0.764,499 0.929,500 8.5,501 0.282,502 4.667,503 3.507,504 2.467,505 1.466,506 1.234,507 0.871,508 0.622,509 0.478,510 22951,511 66143,512 2.064,513 42.6,515 22,516 1,518 4,520 2,523 1.798,524 1.902,525 3.673,526 1.504,531 115.929,532 1.705,533 4.121,534 5.223,535 5.602,536 5.602,537 5.602,538 3.097,539 5.01,540 5.259,541 3.86,542 2860.34,543 9.297,544 47506.8,549 413.947,550 1.497,551 5.202,552 0.198,553 0.006,554 0.075,555 0.053,556 0.036,557 0.023,558 0.019,559 0.013,560 0.01,561 0.01,562 0.443,563 0.17,564 0.63,565 1.22,566 216.448,567 -0.087,568 -0.258,569 0.044,570 -0.098,571 -0.053,572 -0.011,573 0.023,574 0.152,575 0.139,576 0.198,577 0.048,578 0.196,579 -0.066,580 -0.194,581 -0.04,582 -0.132,583 -0.066,584 -0.09,585 0.153,586 -0.007,587 0.111,588 -0.058,589 0.133,590 -0.007,591 -0.267,592 0.022,593 -0.19,594 0.081,595 -0.22,596 -0.011,597 -0.015,598 0.023,599 -0.057,600 -0.026,601 -0.012,602 -0.048,603 0.07,604 -0.163,605 0.095,606 -0.071,607 0.048,608 0.005,609 0.199,610 0.131,611 0.098,612 0.031,613 0.135,614 0.032,615 2.326,616 6.565,617 0.615,618 42.312,619 1.015,620 1.14,621 2.52,622 6.348,623 0.658,624 3.784,625 4.143,626 4.454,627 4.771,628 4.97,629 5.142,630 5.323,631 5.517,632 5.591,633 5.759,634 7.897,635 0.64,636 532.64,637 3.784,638 5.352,639 6.225,640 7.128,641 8.019,642 8.928,643 9.825,644 10.736,645 11.637,646 12.55,647 11.8,650 1,651 5}
{0 CHEMBL475251,1 1.811,2 13.294,3 3.881,4 15.065,5 120.223,6 8.255,7 0.486,8 4.181,9 4.287,10 3.819,11 3.59,12 5.41,13 3.639,14 4.696,15 4.852,16 4.212,17 3.93,18 5.928,19 3.987,20 4.871,21 5.003,22 4.354,23 4.072,24 6.256,25 4.124,26 4.965,27 5.15,28 4.237,29 4.11,30 6.19,31 4.106,32 4.971,33 5.17,34 4.157,35 4.096,36 6.144,37 4.074,38 4.931,39 5.145,40 4.061,41 4.021,42 6.123,43 3.982,44 4.857,45 5.115,46 4.009,47 3.875,48 5.993,49 3.849,50 4.682,51 4.9,52 3.99,53 3.738,54 5.985,55 3.776,56 0.241,57 0.916,58 9.999,59 4.578,60 11.947,61 5.41,62 0.752,63 1.357,64 21.622,65 7.518,66 50.92,67 8.972,68 1.2,69 1.653,70 24.404,71 7.729,72 79.055,73 9.366,74 1.098,75 1.661,76 29.552,77 9.584,78 85.717,79 12.264,80 1.125,81 1.673,82 30.993,83 9.389,84 71.271,85 12.534,86 1.08,87 1.631,88 30.075,89 9.243,90 75.683,91 12.335,92 0.918,93 1.487,94 31.121,95 8.513,96 74.725,97 12.79,98 0.995,99 1.342,100 24.284,101 6.132,102 80.035,103 8.003,104 59,105 54,106 0.295,107 0.608,108 0.739,109 0.778,110 0.791,111 0.815,112 3.56,113 0.82,114 -3.27,115 -3.26,116 -3.12,118 38.6,119 2,123 3,128 1,137 4,139 6,140 1,142 3,145 1,150 1,162 1,164 1,165 6,167 6,169 3,170 2,173 4,174 6,176 1,178 4,183 3,184 7,186 3,187 2,188 1,190 2,194 4,196 2,201 2,203 5,204 2,206 3,208 3,212 3,213 1,218 3,222 1,223 2,225 3,226 1,229 2,231 1,232 2,234 2,238 2,241 2092,242 22.632,243 22.632,244 22.632,245 22.632,246 22.632,247 20.291,248 39.73,249 12.811,250 23.637,251 18.052,252 18.052,253 18.052,254 18.052,255 18.052,256 14.241,257 67.244,258 5.824,259 19.48,260 4.022,261 2.105,262 1.304,263 1.067,264 0.983,265 0.838,266 4.251,269 1,270 1,271 963,272 3.674,275 424.732,279 161.402,282 2.118,283 47.252,286 0.75,287 0.67,288 0.83,289 0.9,291 0.83,292 1,293 0.71,294 77.5,295 452,296 4.54,297 4.104,298 7.282,299 4.367,300 3.413,301 4.111,302 2.03,303 12.355,304 3.249,305 4.426,306 3.375,307 6.524,308 4.012,309 3.069,310 3.999,311 0.892,312 10.264,313 2.887,314 4.272,315 3.208,316 6.161,317 3.848,318 2.921,319 3.877,320 0.86,321 9.146,322 2.705,323 4.099,324 3.007,325 6.078,326 3.689,327 2.747,328 3.463,329 0.86,330 8.822,331 2.574,332 3.694,333 2.778,334 5.5,335 3.339,336 2.412,337 3.02,338 0.86,339 7.382,340 2.231,341 3.475,342 2.691,343 5.217,344 3.078,345 2.14,346 2.782,347 0.4,348 6.48,349 2.001,350 3.355,351 2.555,352 5.19,353 2.972,354 2.061,355 2.604,356 0.4,357 6.118,358 1.867,359 3.298,360 2.402,361 4.959,362 2.84,363 1.912,364 2.593,365 0.141,366 5.726,367 1.764,368 3.103,369 2.154,370 4.898,371 2.765,372 1.818,373 2.208,375 5.276,376 1.704,377 2.825,378 1.907,379 4.173,380 2.331,381 1.416,382 1.955,384 3.756,385 1.289,386 2.649,387 1.693,388 4.028,389 2.165,390 1.171,391 1.625,392 3.088,393 1.151,394 2.201,395 1.631,396 3.78,397 1.967,398 1.145,399 1.187,400 2.397,401 0.937,402 1.688,403 1.025,404 3.18,405 1.332,406 0.433,407 0.516,408 1.046,409 0.382,410 1.576,411 0.916,412 3.021,413 1.27,414 0.396,415 0.452,416 0.651,417 0.342,418 1.525,419 0.79,420 2.971,421 1.217,422 0.352,423 0.386,424 0.603,425 0.301,426 15.352,427 0.452,428 1.025,429 0.03,430 47,431 1.382,432 23,433 0.676,434 24,435 0.706,436 28.102,437 0.827,438 38.048,439 0.668,440 40.445,441 1.19,442 9.545,443 0.281,444 6.688,445 0.197,446 0.203,447 0.033,448 0.358,451 1,452 0.854,453 1.402,454 0.693,455 1.268,456 0.651,457 0.986,458 1.044,459 0.938,460 0.665,461 0.846,462 0.692,463 0.688,464 1.099,465 1.139,466 0.993,467 1.062,468 1.002,469 1.006,470 0.962,471 0.996,472 1.021,473 1.05,474 1.094,475 1.054,476 1.027,477 0.99,478 1.075,479 1,480 0.725,481 1.049,482 0.941,483 1.075,484 1.121,485 1.068,486 0.993,487 1.136,488 0.72,489 1.088,490 0.69,491 0.892,492 0.849,493 0.796,494 1.182,495 1.059,496 0.967,497 0.742,498 1.328,499 0.739,500 9.5,501 0.26,502 4.444,503 2.938,504 2.747,505 1.215,506 0.847,507 0.582,508 0.476,509 0.451,510 16879,511 54611,512 2.018,513 40.4,515 13,517 1,518 3,520 6,523 1.758,524 1.846,525 3.693,526 0.928,528 1,531 103.206,532 1.811,533 3.728,534 4.529,535 4.766,536 4.85,537 4.995,538 3.125,539 4.572,540 5.062,541 3.885,542 2179.36,543 8.865,544 33835.9,549 332.475,550 1.667,551 4.989,552 0.257,553 0.008,554 0.082,555 0.05,556 0.053,557 0.025,558 0.02,559 0.014,560 0.012,561 0.012,562 0.533,563 0.33,564 0.75,565 0.928,566 183.474,567 -0.111,568 -0.275,569 0.046,570 -0.179,571 -0.097,572 -0.04,573 -0.053,574 0.056,575 0.236,576 0.155,577 0.032,578 0.25,579 0.032,580 -0.029,581 -0.108,582 -0.084,583 0.026,584 -0.133,585 -0.034,586 -0.021,587 -0.093,588 -0.074,589 -0.096,590 -0.102,591 -0.106,592 -0.045,593 -0.126,594 -0.025,595 -0.017,596 -0.079,597 -0.034,598 -0.044,599 -0.157,600 -0.103,601 -0.078,602 -0.165,603 0.111,604 -0.13,605 0.349,606 0.066,607 0.097,608 0.24,609 -0.051,610 0.153,611 0.052,612 0.164,613 -0.06,614 0.165,615 2.364,616 6.439,617 0.647,618 36.18,619 1.03,620 1.142,621 2.038,622 4.155,623 0.651,624 3.638,625 4.007,626 4.277,627 4.522,628 4.787,629 4.828,630 4.942,631 5.069,632 5.198,633 5.273,634 7.926,635 0.646,636 470.51,637 3.638,638 5.209,639 6.071,640 6.969,641 7.847,642 8.743,643 9.626,644 10.521,645 11.406,646 12.301,647 10.5,651 5}
{0 CHEMBL477772,1 1.719,2 11.968,3 3.864,4 14.932,5 122.737,6 8.103,7 0.647,8 4.104,9 4.224,10 3.876,11 3.648,12 5.22,13 3.62,14 4.618,15 4.794,16 4.174,17 4.016,18 5.962,19 3.99,20 4.786,21 4.955,22 4.224,23 4.173,24 5.958,25 4.124,26 4.937,27 5.132,28 4.161,29 4.214,30 6.076,31 4.121,32 5.003,33 5.255,34 4.006,35 4.116,36 6.109,37 4.009,38 4.823,39 5.085,40 3.915,41 3.953,42 5.83,43 3.865,44 4.627,45 4.861,46 3.942,47 3.859,48 5.821,49 3.799,50 4.578,51 4.779,52 3.856,53 3.88,54 5.703,55 3.799,56 0.138,57 0.904,58 12.929,59 4.722,60 20.395,61 5.743,62 0.473,63 1.378,64 22.161,65 7.738,66 72,67 9.924,68 0.338,69 1.611,70 24.428,71 8.777,72 40.919,73 11.033,74 0.405,75 1.764,76 32.164,77 11.123,78 46.141,79 14.3,80 0.678,81 1.676,82 37.021,83 11.492,84 90.976,85 15.73,86 0.506,87 1.46,88 30.445,89 8.58,90 62.666,91 12.541,92 0.541,93 1.281,94 22.957,95 6.991,96 53.727,97 9.878,98 0.292,99 1.246,100 21.137,101 7.269,102 30.346,103 9.7,104 51,105 51,106 0.28,107 0.632,108 0.768,109 0.863,110 0.869,111 0.869,112 3.472,113 0.978,114 -3.85,115 -3.81,116 -3.61,118 38.9,119 2,123 2,137 7,138 2,139 3,140 1,141 1,142 1,145 1,147 1,155 1,156 1,157 1,158 1,162 5,164 3,165 9,166 2,167 4,169 2,170 8,174 9,178 3,180 5,182 2,183 2,184 13,186 1,188 4,190 4,191 2,193 1,194 5,196 2,197 1,198 2,200 1,201 1,202 1,203 1,204 9,208 2,210 3,212 5,213 5,215 2,216 2,218 1,220 1,222 1,223 3,225 1,227 1,229 6,231 3,232 3,233 1,234 2,236 1,238 5,240 1,241 1567,242 20.074,243 20.074,244 20.074,245 20.074,246 20.074,247 17.087,248 26.988,249 11.303,250 20.607,251 16.736,252 16.736,253 16.736,254 16.736,255 16.736,256 12.175,257 41.389,258 5.36,259 17.634,260 4.036,261 1.878,262 1.049,263 0.463,264 0.426,265 0.426,266 4.159,269 1,270 1,271 797,272 3.873,274 77.894,275 294.507,278 134.204,282 1.973,283 31.722,286 1,287 0.83,288 1,289 0.6,291 1,292 1,293 0.78,294 67.5,295 371,296 4.845,297 4.685,298 7.24,299 4.298,300 3.377,301 4.71,302 0.8,303 12.181,304 3.09,305 4.623,306 3.297,307 6.671,308 4.154,309 3.185,310 4.582,311 0.4,312 10.671,313 3.082,314 4.237,315 3.146,316 6.389,317 3.878,318 2.947,319 3.787,321 9.682,322 2.741,323 3.997,324 2.817,325 5.656,326 3.577,327 2.629,328 3.553,330 7.841,331 2.5,332 3.82,333 2.506,334 5.486,335 3.346,336 2.382,337 3.318,339 7.05,340 2.285,341 3.509,342 2.301,343 5.364,344 3.112,345 2.146,346 2.824,348 6.502,349 2.07,350 3.334,351 2.095,352 5.133,353 2.916,354 1.957,355 2.622,357 5.891,358 1.868,359 3.144,360 1.813,361 4.847,362 2.68,363 1.715,364 2.439,366 5.232,367 1.653,368 3.111,369 1.754,370 4.714,371 2.64,372 1.672,373 2.351,375 4.851,376 1.611,377 2.682,378 1.298,379 4.033,380 2.174,381 1.223,382 1.765,384 3.139,385 1.16,386 2.658,387 1.27,388 3.718,389 2.146,390 1.154,391 1.711,392 2.746,393 1.141,394 2.283,395 1.052,396 3.497,397 1.877,398 0.908,399 1.208,400 2.204,401 0.877,402 1.952,403 0.837,404 3.435,405 1.601,406 0.653,407 0.819,408 1.692,409 0.618,410 1.509,411 0.575,412 2.986,413 1.198,414 0.241,415 0.292,416 0.597,417 0.229,418 1.053,419 0.163,420 2.859,421 0.728,422 -0.228,423 -0.28,424 -0.543,425 -0.217,426 14.8,427 0.477,428 1.128,429 0.036,430 44.5,431 1.435,432 24,433 0.774,434 20.5,435 0.661,436 24.917,437 0.804,438 33.2,439 0.615,440 35.768,441 1.154,442 8.627,443 0.278,444 6.003,445 0.194,446 0.207,447 0.056,448 0.358,452 0.646,453 1.405,454 0.81,455 1.222,456 0.793,457 0.943,458 0.651,459 0.977,460 0.775,461 0.841,462 0.405,463 0.735,464 1.224,465 1.209,466 1.01,467 0.995,468 1.002,469 1.014,470 0.968,471 1.273,472 1.225,473 1.344,474 0.872,475 1.296,476 1.054,477 0.952,478 0.939,479 0.903,480 1.158,481 0.98,482 1.024,483 0.959,484 0.805,485 0.783,486 0.875,487 0.861,488 0.733,489 0.846,490 0.75,491 0.696,492 0.422,493 0.796,494 0.915,495 1.121,496 1.039,497 1.123,498 0.727,499 1.157,500 8.5,501 0.21,502 4.444,503 3.514,504 1.662,505 1.118,506 0.839,507 0.568,508 0.387,509 0.368,510 13259,511 38562,512 2.02,513 42.6,514 3,515 13,517 1,518 3,519 3,523 1.734,524 1.833,525 3.556,526 0.94,528 1,531 92.832,532 1.719,533 3.877,534 4.705,535 5.292,536 5.329,537 5.329,538 2.946,539 4.503,540 4.929,541 3.766,542 1751.26,543 8.594,544 25249.5,546 1,549 310.764,550 1.705,551 4.848,552 0.25,553 0.008,554 0.087,555 0.068,556 0.036,557 0.028,558 0.023,559 0.015,560 0.011,561 0.012,562 0.539,563 0.33,564 1,565 0.804,566 162.049,567 0.083,568 -0.169,569 0.198,570 -0.09,571 -0.22,572 0.011,573 0.303,574 0.143,575 0.152,576 0.146,577 0.43,578 0.2,579 -0.258,580 -0.091,581 -0.139,582 -0.035,583 -0.125,584 -0.091,585 -0.087,586 -0.217,587 -0.261,588 -0.332,589 -0.053,590 -0.329,591 -0.022,592 -0.038,593 -0.019,594 0.007,595 -0.078,596 0.002,597 -0.101,598 -0.013,599 0.085,600 0.088,601 -0.099,602 0.105,603 0.208,604 0.196,605 0.121,606 0.167,607 0.253,608 0.128,609 -0.09,610 -0.054,611 -0.155,612 -0.173,613 -0.048,614 -0.205,615 4.739,616 4.78,617 0.677,618 30.508,619 1.009,620 1.132,621 2.616,622 6.846,623 0.679,624 3.555,625 3.951,626 4.205,627 4.454,628 4.644,629 4.691,630 4.875,631 4.949,632 4.97,633 5.069,634 7.362,635 0.648,636 437.58,637 3.555,638 5.142,639 6.004,640 6.909,641 7.785,642 8.688,643 9.57,644 10.471,645 11.356,646 12.256,647 13,651 5}
{0 CHEMBL483321,1 1.549,2 16.286,3 4.201,4 17.647,5 136.188,6 7.574,7 0.605,8 4.219,9 4.334,10 3.798,11 3.75,12 5.372,13 3.741,14 4.713,15 4.881,16 4.114,17 4.088,18 5.834,19 4.065,20 4.892,21 5.066,22 4.171,23 4.211,24 6.035,25 4.164,26 4.97,27 5.189,28 4.054,29 4.205,30 5.978,31 4.122,32 4.93,33 5.153,34 4.037,35 4.194,36 5.95,37 4.11,38 4.912,39 5.13,40 4.015,41 4.194,42 5.905,43 4.104,44 4.919,45 5.161,46 3.979,47 4.16,48 5.887,49 4.063,50 4.817,51 5.03,52 3.921,53 4.071,54 5.859,55 3.981,56 0.036,57 0.9,58 12.045,59 5.384,60 9.303,61 6.875,62 0.31,63 1.382,64 22.644,65 8.603,66 31.037,67 11.199,68 0.486,69 1.615,70 27.549,71 10.039,72 53.629,73 13.253,74 0.396,75 1.673,76 31.843,77 11.542,78 48.311,79 15.663,80 0.388,81 1.638,82 30.406,83 10.993,84 50.395,85 15.232,86 0.308,87 1.621,88 29.417,89 10.988,90 40.691,91 15.156,92 0.336,93 1.617,94 30.451,95 10.971,96 41.058,97 15.655,98 0.304,99 1.472,100 26.418,101 10.123,102 38.738,103 13.742,104 24,105 51,106 0.246,107 0.623,108 0.817,109 0.894,110 0.899,111 0.899,112 3.588,113 0.882,114 -4.15,115 -4.09,116 -3.87,118 43.5,119 2,123 1,124 2,132 2,137 8,138 3,139 3,140 1,141 2,142 1,143 1,150 1,162 10,164 1,165 8,167 2,169 4,170 11,173 2,174 8,176 1,178 4,180 10,184 6,186 1,188 4,190 7,194 10,196 1,198 4,201 9,204 10,208 3,210 10,212 1,213 6,218 1,220 11,223 6,225 3,226 1,227 1,229 11,231 1,232 5,238 5,241 2673,242 23.817,243 23.817,244 23.817,245 23.817,246 23.817,247 20.668,248 26.984,249 14.393,250 24.396,251 18.757,252 18.757,253 18.757,254 18.757,255 18.757,256 14.02,257 35.961,258 6.834,259 19.599,260 4.405,261 2.03,262 0.811,263 0.327,264 0.295,265 0.295,266 4.286,270 1,271 1212,272 3.937,275 449.957,279 176.052,282 2.784,283 27.117,286 1,287 0.83,288 0.83,289 0.6,290 0.5,291 1,292 1,293 0.82,294 75.5,295 570,296 4.532,297 3.601,298 6.536,299 4.053,300 3.081,301 4.47,302 2.032,303 10.341,304 2.997,305 4.264,306 3.219,307 6.104,308 3.857,309 2.895,310 3.911,311 0.9,312 8.927,313 2.787,314 3.989,315 3.114,316 5.475,317 3.542,318 2.583,319 3.595,320 0.86,321 7.338,322 2.468,323 3.792,324 2.756,325 5.355,326 3.401,327 2.421,328 3.232,329 0.546,330 6.918,331 2.371,332 3.655,333 2.548,334 5.246,335 3.347,336 2.36,337 2.966,338 0.4,339 6.599,340 2.318,341 3.598,342 2.384,343 5.028,344 3.199,345 2.236,346 2.826,348 6.063,349 2.143,350 3.403,351 2.268,352 5.006,353 2.986,354 2.034,355 2.738,357 5.797,358 1.928,359 3.282,360 2.038,361 4.864,362 2.824,363 1.861,364 2.581,366 5.512,367 1.789,368 2.975,369 1.956,370 4.149,371 2.458,372 1.504,373 2.16,375 3.667,376 1.433,377 2.821,378 1.884,379 4.097,380 2.4,381 1.414,382 1.95,384 3.545,385 1.39,386 2.788,387 1.643,388 3.604,389 2.323,390 1.383,391 1.796,392 2.999,393 1.297,394 2.5,395 1.425,396 3.425,397 1.959,398 1.027,399 1.5,400 2.286,401 0.956,402 2.388,403 1.018,404 3.414,405 1.931,406 1,407 1.341,408 2.275,409 0.925,410 2.151,411 1,412 3.128,413 1.869,414 0.94,415 1.103,416 1.745,417 0.858,418 1.79,419 0.849,420 3.081,421 1.422,422 0.483,423 0.59,424 1.157,425 0.448,426 16.5,427 0.471,428 0.746,429 0.021,430 48.75,431 1.393,432 26,433 0.743,434 22.75,435 0.65,436 27.031,437 0.772,438 36.9,439 0.595,440 39.172,441 1.119,442 10.089,443 0.288,444 6.923,445 0.198,446 0.111,448 0.303,452 0.844,453 1.323,454 0.773,455 1.106,456 0.685,457 0.952,458 1.083,459 1.022,460 0.856,461 0.912,462 0.748,463 0.86,464 1.108,465 1.123,466 1.072,467 1.052,468 1.13,469 1.053,470 1.093,471 1.028,472 1.032,473 0.996,474 0.989,475 1.007,476 0.924,477 0.985,478 0.985,479 0.935,480 1.067,481 0.961,482 0.902,483 1.069,484 1.015,485 1.014,486 0.759,487 1.028,488 0.699,489 0.955,490 0.921,491 0.942,492 0.661,493 0.951,494 0.82,495 1.034,496 1.063,497 1.171,498 0.978,499 1.158,500 7,501 0.165,502 3.333,503 1.688,504 1.942,505 0.681,506 0.768,507 0.568,508 0.3,509 0.325,510 20240,511 56117,512 2.075,513 43.5,514 3,515 17,517 2,518 2,519 3,523 1.764,524 1.963,525 3.939,526 0.162,531 96.032,532 1.549,533 3.924,534 5.143,535 5.627,536 5.66,537 5.66,538 3.476,539 4.958,540 5.091,541 4.125,542 2454.23,543 8.928,544 40836.7,549 369.16,550 1.316,551 5.07,552 0.184,553 0.005,554 0.065,555 0.032,556 0.042,557 0.015,558 0.017,559 0.013,560 0.008,561 0.009,562 0.391,563 0.33,564 0.88,565 1.53,566 193.894,567 -0.043,568 -0.171,569 0.051,570 -0.076,571 -0.067,572 -0.009,573 -0.012,574 0.057,575 0.069,576 0.076,577 0.037,578 0.08,579 0.009,580 -0.054,581 -0.135,582 -0.076,583 -0.047,584 -0.119,585 -0.114,586 -0.04,587 -0.058,588 -0.006,589 -0.079,590 -0.023,591 -0.069,592 0.024,593 -0.025,594 0.053,595 -0.076,596 0.026,597 -0.107,598 -0.06,599 -0.071,600 -0.015,601 -0.072,602 -0.035,603 0.006,604 0.049,605 0.04,606 0.044,607 0.019,608 0.052,609 0.029,610 -0.015,611 -0.118,612 -0.181,613 -0.043,614 -0.177,615 1.821,616 4.491,617 0.629,618 52.617,619 1.003,620 1.124,621 2.919,622 8.523,623 0.674,624 3.664,625 3.951,626 4.174,627 4.407,628 4.663,629 4.691,630 4.836,631 4.997,632 5.118,633 5.193,634 9.067,635 0.646,636 469.59,637 3.664,638 5.187,639 6.014,640 6.87,641 7.716,642 8.578,643 9.434,644 10.3,645 11.163,646 12.032,647 8.1,651 5}
{0 CHEMBL491473,1 1.62,2 13.576,3 4.761,4 22.67,5 124.882,6 7.509,7 0.568,8 4.211,9 4.322,10 3.792,11 3.709,12 5.292,13 3.709,14 4.775,15 4.948,16 4.155,17 4.097,18 5.811,19 4.084,20 4.983,21 5.18,22 4.213,23 4.194,24 6.059,25 4.156,26 5.01,27 5.231,28 4.148,29 4.152,30 6.061,31 4.1,32 4.934,33 5.142,34 4.089,35 4.104,36 6.004,37 4.047,38 4.941,39 5.159,40 4.06,41 4.078,42 5.997,43 4.026,44 4.887,45 5.106,46 4.015,47 4.038,48 5.957,49 3.996,50 4.778,51 4.973,52 3.993,53 4.034,54 5.831,55 3.979,56 0.058,57 0.944,58 12.288,59 5.569,60 7.222,61 7.017,62 0.379,63 1.51,64 24.914,65 9.094,66 25.934,67 11.839,68 0.644,69 1.772,70 32.376,71 11.278,72 49.412,73 14.879,74 0.687,75 1.792,76 34.886,77 12.037,78 55.404,79 15.843,80 0.719,81 1.649,82 31.833,83 11.332,84 58.454,85 14.828,86 0.636,87 1.671,88 32.56,89 11.127,90 57.323,91 14.538,92 0.737,93 1.614,94 31.105,95 9.673,96 61.559,97 12.704,98 0.45,99 1.468,100 25.697,101 9.439,102 40.61,103 12.598,104 11,105 52,106 0.26,107 0.591,108 0.781,109 0.84,110 0.855,111 0.855,112 3.532,113 0.913,114 -4.48,115 -4.4,116 -4.15,118 41.7,119 1,120 3,123 1,124 4,137 5,138 2,139 4,141 1,142 1,143 1,147 2,162 4,164 2,165 11,169 4,170 3,173 1,174 8,178 1,180 4,183 3,184 5,190 6,193 3,194 3,196 1,201 5,203 2,204 7,210 5,212 1,213 4,216 1,218 1,220 3,222 1,223 8,227 1,229 4,232 5,234 1,236 1,238 3,241 2042,242 22.748,243 22.748,244 22.748,245 22.748,246 22.748,247 20.254,248 25.689,249 13.406,250 23.51,251 18.236,252 18.236,253 18.236,254 18.236,255 18.236,256 14.366,257 29.075,258 6.311,259 19.42,260 4.287,261 2.23,262 1.048,263 0.684,264 0.592,265 0.592,266 4.241,269 1,270 1,271 993,272 3.391,274 174.036,275 256.64,278 134.209,279 146.548,282 2.498,283 35.312,286 1,287 0.83,288 1,289 0.8,290 0.5,291 1,292 1,293 0.88,294 72.5,295 448,296 4.62,297 3.446,298 6.671,299 4.141,300 3.184,301 4.569,302 0.86,303 10.723,304 3.047,305 4.557,306 3.285,307 6.571,308 4.067,309 3.102,310 4.504,311 0.86,312 10.452,313 2.991,314 4.013,315 3.004,316 6.051,317 3.597,318 2.675,319 3.516,320 0.86,321 8.715,322 2.455,323 3.838,324 2.848,325 5.742,326 3.469,327 2.541,328 3.331,329 0.8,330 7.75,331 2.359,332 3.542,333 2.702,334 5.352,335 3.392,336 2.453,337 2.808,339 6.997,340 2.292,341 3.427,342 2.323,343 5.183,344 2.95,345 2.018,346 2.545,348 6.151,349 1.876,350 3.235,351 2.283,352 4.81,353 2.794,354 1.827,355 2.542,357 5.204,358 1.761,359 3.125,360 2.005,361 4.697,362 2.684,363 1.754,364 2.37,366 4.888,367 1.63,368 3.004,369 1.863,370 4.511,371 2.6,372 1.647,373 2.219,375 4.452,376 1.561,377 2.751,378 1.581,379 3.938,380 2.431,381 1.477,382 1.81,384 3.333,385 1.401,386 2.52,387 1.47,388 3.656,389 2.244,390 1.332,391 1.522,392 3.003,393 1.206,394 2.148,395 1.277,396 3.531,397 2.024,398 1.072,399 1.133,400 2.376,401 1.014,402 2.069,403 1.115,404 3.35,405 1.591,406 0.657,407 0.881,408 1.695,409 0.6,410 1.847,411 0.951,412 3.198,413 1.559,414 0.621,415 0.757,416 1.465,417 0.576,418 1.618,419 0.744,420 3,421 1.539,422 0.618,423 0.618,424 1.372,425 0.572,426 15.386,427 0.466,428 0.725,429 0.022,430 42,431 1.273,432 19.5,433 0.591,434 22.5,435 0.682,436 29.467,437 0.893,438 36.214,439 0.604,440 32.458,441 0.984,442 8.196,443 0.248,444 7.922,445 0.24,446 0.084,448 0.351,451 1,452 0.781,453 1.282,454 0.744,455 1.191,456 0.588,457 1,458 1.017,459 0.997,460 0.842,461 0.93,462 0.66,463 0.858,464 1.005,465 1.064,466 0.93,467 1.028,468 0.769,469 0.968,470 1.102,471 1.004,472 0.901,473 0.97,474 1.104,475 0.915,476 1.021,477 1.006,478 0.94,479 1.03,480 1.03,481 0.992,482 1.2,483 1.125,484 0.96,485 0.998,486 1.236,487 0.947,488 1.389,489 0.876,490 1.056,491 0.765,492 1.279,493 0.825,494 0.862,495 1.094,496 0.986,497 1.128,498 0.825,499 1.088,500 6,501 0.21,502 3.556,503 2.229,504 2.107,505 0.941,506 0.642,507 0.563,508 0.411,509 0.268,510 17177,511 41140,512 2.15,513 45,515 16,517 1,518 1,519 3,520 4,521 2,523 1.751,524 2.041,525 3.693,526 -0.352,531 97.18,532 1.62,533 3.677,534 4.859,535 5.223,536 5.315,537 5.315,538 3.279,539 4.741,540 5.009,541 3.903,542 2060.66,543 8.77,544 31239.1,546 1,549 354.413,550 1.301,551 4.989,552 0.162,553 0.007,554 0.068,555 0.043,556 0.044,557 0.021,558 0.015,559 0.013,560 0.01,561 0.007,562 0.39,563 0.17,564 0.88,565 0.62,566 176.565,567 -0.033,568 -0.195,569 0.072,570 -0.113,571 -0.003,572 -0.017,573 -0.058,574 0.007,575 0.078,576 0.066,577 0.044,578 0.096,579 0.054,580 -0.065,581 0.035,582 -0.04,583 0.146,584 -0.006,585 0.048,586 0.005,587 0.106,588 0.022,589 0.057,590 0.064,591 0.121,592 -0.01,593 0.052,594 -0.025,595 0.076,596 -0.011,597 -0.018,598 -0.099,599 0.05,600 -0.005,601 -0.009,602 0.028,603 -0.141,604 0.162,605 -0.036,606 0.184,607 -0.084,608 0.11,609 0.039,610 -0.081,611 -0.056,612 -0.125,613 0.022,614 -0.112,615 2.103,616 7.026,617 0.727,618 40.777,619 1.008,620 1.132,621 3.246,622 10.539,623 0.658,624 3.638,625 3.97,626 4.277,627 4.564,628 4.771,629 4.875,630 5.011,631 5.182,632 5.293,633 5.375,634 7.904,635 0.632,636 450.56,637 3.638,638 5.187,639 6.052,640 6.938,641 7.82,642 8.711,643 9.6,644 10.494,645 11.387,646 12.284,647 6.7,650 1,651 5}
{0 CHEMBL494089,1 1.633,2 10.226,3 1.839,4 3.383,5 117.484,6 7.337,7 0.441,8 4.177,9 4.306,10 3.724,11 3.613,12 5.301,13 3.615,14 4.724,15 4.917,16 4.099,17 4.009,18 5.793,19 3.997,20 4.962,21 5.18,22 4.127,23 4.137,24 6.028,25 4.082,26 5.008,27 5.256,28 4.141,29 4.13,30 5.989,31 4.073,32 4.865,33 5.063,34 4.153,35 4.107,36 5.923,37 4.086,38 4.962,39 5.152,40 4.205,41 4.179,42 6.093,43 4.151,44 5.06,45 5.28,46 4.191,47 4.198,48 6.178,49 4.144,50 5.003,51 5.247,52 3.964,53 4.127,54 5.95,55 4.031,56 0.189,57 0.894,58 12.784,59 4.687,60 19.748,61 6.664,62 0.323,63 1.386,64 24.179,65 7.835,66 34.585,67 11.55,68 0.662,69 1.584,70 32.423,71 10.069,72 65.938,73 14.886,74 0.765,75 1.589,76 35.185,77 10.417,78 55.895,79 15.813,80 0.445,81 1.531,82 28.462,83 8.521,84 37.944,85 12.822,86 0.584,87 1.685,88 31.229,89 8.874,90 54.292,91 13.487,92 0.88,93 1.752,94 35.761,95 9.718,96 75.414,97 15.157,98 0.601,99 1.588,100 34.2,101 10.099,102 55.822,103 15.703,104 32,105 49,106 0.266,107 0.622,108 0.791,109 0.852,110 0.852,111 0.852,112 3.473,113 0.921,114 -3.08,115 -3.08,116 -2.96,118 36.2,119 3,120 2,121 1,124 4,128 1,136 2,139 1,140 1,141 3,142 1,147 1,153 1,155 1,156 1,157 1,158 2,162 3,164 2,165 3,166 1,167 1,169 5,170 4,173 5,174 3,175 2,176 2,178 2,180 2,183 6,184 4,185 2,186 3,194 8,196 1,203 2,204 10,206 1,208 1,210 1,211 1,212 4,213 8,215 2,216 5,218 1,220 3,221 1,223 6,225 2,227 1,229 3,230 1,232 5,234 1,236 4,238 5,240 1,241 1787,242 20.731,243 20.731,244 20.731,245 20.731,246 20.731,247 18.794,248 25.311,249 12.073,250 21.286,251 16.736,252 16.736,253 16.736,254 16.736,255 16.736,256 13.57,257 27.057,258 5.647,259 17.635,260 4.225,261 2.041,262 1.001,263 0.625,264 0.625,265 0.625,266 4.164,269 1,270 1,271 676,272 3.937,274 141.873,275 187.538,278 126.052,282 1.652,283 32.754,286 1,287 0.83,288 1,289 0.8,290 0.5,291 1,292 1,293 0.88,294 68.5,295 317,296 4.798,297 3.811,298 7.083,299 4.315,300 3.37,301 4.775,302 1.128,303 12.281,304 3.185,305 4.364,306 3.464,307 6.46,308 4.058,309 3.102,310 3.942,311 0.86,312 9.999,313 2.955,314 4.241,315 3.006,316 6.393,317 3.848,318 2.891,319 3.524,320 0.4,321 9.889,322 2.763,323 3.796,324 2.831,325 5.85,326 3.508,327 2.535,328 3.119,330 7.957,331 2.469,332 3.642,333 2.616,334 5.514,335 3.348,336 2.4,337 3.014,339 7.081,340 2.27,341 3.473,342 2.424,343 5.323,344 3.15,345 2.221,346 2.501,348 6.73,349 2.054,350 3.18,351 1.8,352 4.729,353 2.522,354 1.582,355 2.184,357 4.632,358 1.483,359 2.925,360 1.667,361 4.506,362 2.44,363 1.492,364 1.878,366 4.115,367 1.414,368 2.667,369 1.607,370 3.844,371 2.384,372 1.445,373 1.587,375 3.15,376 1.352,377 2.561,378 1.211,379 3.638,380 2.103,381 1.134,382 1.524,384 2.619,385 1.097,386 2.498,387 1.181,388 3.43,389 1.956,390 1,391 1.369,392 2.136,393 0.954,394 2.236,395 1.129,396 3.384,397 1.819,398 0.875,399 1.081,400 2.125,401 0.822,402 2,403 0.977,404 3.247,405 1.698,406 0.783,407 1,408 1.964,409 0.712,410 1.813,411 0.73,412 3.211,413 1.53,414 0.591,415 0.711,416 1.335,417 0.552,418 1.537,419 0.431,420 2.957,421 1.228,422 0.278,423 0.336,424 0.483,425 0.263,426 14.3,427 0.461,428 0.888,429 0.029,430 36.25,431 1.169,432 15,433 0.484,434 21.25,435 0.685,436 31.557,437 1.018,438 34.9,439 0.602,440 28.911,441 0.933,442 6.695,443 0.216,444 8.176,445 0.264,446 0.156,447 0.035,448 0.308,452 0.839,453 1.432,454 0.814,455 1.172,456 0.971,457 1.013,458 0.904,459 1.199,460 0.755,461 1.029,462 0.624,463 0.883,464 0.947,465 1.035,466 0.929,467 1.028,468 1.036,469 0.994,470 0.795,471 0.84,472 0.761,473 0.834,474 0.583,475 0.804,476 1.139,477 1.2,478 0.918,479 1.016,480 0.828,481 0.931,482 1.25,483 1.27,484 1.127,485 1.136,486 1.017,487 1.104,488 0.986,489 1.047,490 1.122,491 1.071,492 1.016,493 1.103,494 0.892,495 1.073,496 1.091,497 1.124,498 0.769,499 1.13,500 6.5,501 0.203,502 3.556,503 2.104,504 2.016,505 1.49,506 0.848,507 0.794,508 0.454,509 0.316,510 11698,511 30519,512 2.057,513 46.6,514 2,515 8,517 1,518 4,520 11,521 1,523 1.746,524 1.908,525 3.3,526 1.664,528 1,531 94.736,532 1.633,533 3.817,534 4.857,535 5.233,536 5.233,537 5.233,538 2.777,539 4.518,540 4.918,541 3.515,542 1634.28,543 8.647,544 22872.1,546 1,548 1,549 339.763,550 1.595,551 4.87,552 0.191,553 0.007,554 0.073,555 0.044,556 0.041,557 0.029,558 0.016,559 0.016,560 0.012,561 0.009,562 0.438,563 0.17,564 1,565 1.159,566 158.544,567 0.056,568 -0.13,569 0.055,570 -0.023,571 -0.074,572 0.009,573 0.004,574 -0.055,575 0.172,576 0.033,577 0.191,578 0.121,579 0.065,580 0.007,581 0.034,582 -0.003,583 0.035,584 -0.002,585 0.18,586 0.14,587 0.225,588 0.156,589 0.117,590 0.187,591 -0.122,592 -0.085,593 0.029,594 0.02,595 -0.024,596 0.054,597 -0.16,598 -0.122,599 -0.176,600 -0.128,601 -0.07,602 -0.149,603 0.063,604 0.048,605 -0.151,606 -0.11,607 -0.024,608 -0.16,609 -0.042,610 -0.051,611 -0.136,612 -0.123,614 -0.136,615 2.409,616 4.022,617 0.645,618 33.205,619 1.009,620 1.143,621 1.85,622 3.424,623 0.638,624 3.555,625 3.912,626 4.174,627 4.489,628 4.736,629 4.913,630 5.1,631 5.288,632 5.38,633 5.398,634 6.431,635 0.613,636 425.55,637 3.555,638 5.118,639 5.974,640 6.878,641 7.763,642 8.677,643 9.577,644 10.498,645 11.409,646 12.334,647 12.1,649 1,651 5}
{0 CHEMBL509032,1 1.669,2 16.976,3 5.342,4 28.539,5 170.073,6 7.491,7 0.391,8 4.496,9 4.621,10 4.163,11 4.017,12 5.479,13 3.968,14 5.087,15 5.281,16 4.512,17 4.43,18 6.136,19 4.363,20 5.368,21 5.577,22 4.642,23 4.636,24 6.374,25 4.539,26 5.512,27 5.748,28 4.531,29 4.679,30 6.503,31 4.55,32 5.508,33 5.768,34 4.534,35 4.659,36 6.41,37 4.527,38 5.461,39 5.721,40 4.567,41 4.606,42 6.38,43 4.475,44 5.352,45 5.6,46 4.534,47 4.505,48 6.362,49 4.394,50 5.262,51 5.504,52 4.401,53 4.44,54 6.273,55 4.314,56 0.076,57 1.264,58 20.736,59 7.815,60 18.574,61 10.317,62 0.513,63 2.034,64 39.117,65 12.934,66 65.567,67 17.58,68 0.659,69 2.533,70 58.987,71 17.554,72 70.348,73 23.955,74 0.886,75 2.662,76 63.492,77 20.784,78 112.54,79 28.418,80 0.721,81 2.642,82 62.501,83 20.106,84 86.361,85 29.046,86 0.73,87 2.492,88 65.052,89 18.696,90 85.627,91 26.67,92 0.879,93 2.241,94 58.969,95 16.151,96 93.724,97 23.233,98 0.792,99 2.048,100 52.656,101 15.458,102 87.343,103 22.089,104 55,105 66,106 0.253,107 0.547,108 0.741,109 0.808,110 0.836,111 0.836,112 3.765,113 1.065,114 -4.41,115 -4.34,116 -4.09,118 36.6,119 2,120 2,123 2,124 6,126 2,137 7,139 6,140 1,142 1,145 1,162 4,164 2,165 7,167 3,169 2,170 5,173 1,174 10,176 1,178 5,180 2,183 2,184 8,186 3,187 1,188 1,190 6,193 2,194 10,196 1,198 3,201 7,203 2,204 6,208 2,210 4,212 3,213 7,216 1,218 6,220 2,222 3,223 2,225 2,227 1,229 5,232 9,234 2,236 2,238 4,241 3848,242 28.021,243 28.021,244 28.021,245 28.021,246 28.021,247 25.553,248 45.937,249 16.129,250 29.213,251 22.581,252 22.581,253 22.581,254 22.581,255 22.581,256 18.7,257 76.143,258 7.52,259 24.496,260 4.689,261 2.745,262 1.469,263 1.022,264 0.842,265 0.842,266 4.464,267 1,270 1,271 1538,272 4.243,275 778.263,282 2.931,283 44.704,286 0.75,287 0.67,288 0.67,289 0.9,290 1,291 0.83,292 1,293 0.83,294 90.833,295 713,296 4.948,297 5.35,298 7.68,299 4.389,300 3.523,301 4.789,302 2.95,303 13.626,304 3.028,305 4.34,306 3.27,307 6.301,308 3.966,309 3.018,310 3.977,311 0.86,312 9.609,313 2.863,314 4.239,315 3.232,316 6.164,317 3.829,318 2.907,319 3.87,320 0.8,321 9.113,322 2.7,323 3.922,324 3.133,325 6.138,326 3.769,327 2.841,328 3.433,329 0.8,330 9.005,331 2.586,332 3.88,333 3.094,334 5.981,335 3.543,336 2.615,337 3.101,338 0.8,339 8.504,340 2.424,341 3.756,342 2.924,343 5.874,344 3.411,345 2.465,346 2.851,347 0.4,348 7.768,349 2.305,350 3.463,351 2.614,352 5.212,353 3.223,354 2.296,355 2.752,356 0.4,357 6.436,358 2.127,359 3.309,360 2.467,361 5.046,362 3.031,363 2.135,364 2.321,366 6.101,367 1.895,368 2.967,369 2.295,370 4.709,371 2.617,372 1.668,373 2.145,375 4.617,376 1.576,377 2.889,378 1.895,379 4.528,380 2.527,381 1.599,382 2.025,384 4.233,385 1.47,386 2.81,387 1.815,388 4.327,389 2.455,390 1.52,391 1.9,392 4.038,393 1.408,394 2.785,395 1.717,396 4.172,397 2.429,398 1.46,399 1.846,400 3.542,401 1.401,402 2.715,403 1.428,404 4.155,405 2.239,406 1.3,407 1.794,408 3.533,409 1.197,410 2.435,411 1.378,412 3.754,413 2.186,414 1.238,415 1.349,416 3.032,417 1.169,418 2.323,419 1.146,420 3.551,421 2,422 1,423 1.316,424 2.419,425 1,426 20.348,427 0.484,428 1.194,429 0.028,430 51.5,431 1.226,432 23,433 0.548,434 28.5,435 0.679,436 45.665,437 1.087,438 47.452,439 0.579,440 44.618,441 1.062,442 9.545,443 0.227,444 10.605,445 0.253,446 0.166,447 0.041,448 0.305,452 0.715,453 1.607,454 0.776,455 1.256,456 0.66,457 1.061,458 0.977,459 1.07,460 0.824,461 0.885,462 0.601,463 0.869,464 0.988,465 1.186,466 1.113,467 1.204,468 0.84,469 1.053,470 1.096,471 1.009,472 0.933,473 0.996,474 1.404,475 1.041,476 0.776,477 1.001,478 0.727,479 0.895,480 0.812,481 0.931,482 0.974,483 1.007,484 0.825,485 0.845,486 0.689,487 0.909,488 1.007,489 0.941,490 0.953,491 0.9,492 0.699,493 0.91,494 0.875,495 1.033,496 1.015,497 0.956,498 0.757,499 1.004,500 10,501 0.347,502 6.222,503 2.75,504 2.471,505 1.722,506 1.336,507 0.8,508 0.542,509 0.401,510 32680,511 80267,512 2.054,513 48.8,515 27,517 1,518 2,520 6,521 4,523 1.808,524 1.902,525 3.996,526 0.173,531 136.829,532 1.669,533 3.612,534 4.889,535 5.336,536 5.516,537 5.516,538 3.529,539 4.916,540 5.362,541 4.222,542 3635.4,543 9.462,544 67680.4,549 521.319,550 1.583,551 5.308,552 0.217,553 0.007,554 0.094,555 0.038,556 0.038,557 0.026,558 0.022,559 0.014,560 0.01,561 0.008,562 0.475,563 0.17,564 0.63,565 0.897,566 244.023,567 0.037,568 -0.294,569 0.136,570 -0.099,571 -0.096,572 -0.016,573 0.038,574 0.104,575 0.086,576 0.124,577 0.203,578 0.103,579 -0.002,580 -0.058,581 -0.059,582 -0.116,583 0.097,584 -0.058,585 -0.025,586 -0.019,587 -0.056,588 -0.029,589 -0.052,590 -0.06,591 0.066,592 -0.036,593 0.1,594 0.034,595 0.034,596 0.057,597 -0.018,598 -0.03,599 0.112,600 0.078,601 0.039,602 0.061,603 0.07,604 0.054,605 0.088,606 0.038,607 0.122,608 0.055,609 0.121,610 -0.039,611 0.016,612 -0.012,613 0.092,614 -0.023,615 4.439,616 5.909,617 0.714,618 58.993,619 1.001,620 1.135,621 3.18,622 10.109,623 0.657,624 3.85,625 4.205,626 4.477,627 4.682,628 4.942,629 5.004,630 5.147,631 5.252,632 5.38,633 5.537,634 9.788,635 0.613,636 614.29,637 3.85,638 5.416,639 6.275,640 7.159,641 8.034,642 8.919,643 9.799,644 10.684,645 11.566,646 12.453,647 8.5,650 2,651 6.237}
{0 CHEMBL513909,1 1.525,2 14.237,3 3.655,4 13.36,5 148.213,6 6.776,7 0.286,8 4.432,9 4.57,10 3.921,11 3.892,12 5.424,13 3.869,14 5.038,15 5.248,16 4.303,17 4.321,18 5.967,19 4.272,20 5.327,21 5.562,22 4.434,23 4.515,24 6.261,25 4.439,26 5.431,27 5.678,28 4.445,29 4.554,30 6.405,31 4.474,32 5.442,33 5.683,34 4.457,35 4.572,36 6.485,37 4.487,38 5.406,39 5.644,40 4.35,41 4.546,42 6.381,43 4.44,44 5.411,45 5.686,46 4.183,47 4.452,48 6.3,49 4.321,50 5.263,51 5.539,52 4.107,53 4.326,54 6.139,55 4.205,56 0.032,57 1.179,58 18.11,59 6.578,60 11.145,61 9.87,62 0.476,63 1.902,64 35.32,65 11.066,66 36.537,67 17.074,68 0.556,69 2.349,70 47.751,71 14.58,72 54.5,73 22.827,74 0.654,75 2.456,76 53.861,77 15.746,78 79.905,79 24.541,80 1.011,81 2.478,82 54.847,83 15.761,84 111.883,85 24.678,86 0.642,87 2.419,88 52.039,89 15.848,90 80.741,91 24.641,92 0.768,93 2.258,94 53.425,95 14.967,96 86.391,97 24.141,98 0.738,99 1.93,100 46.069,101 13.81,102 76.125,103 21.436,104 41,105 60,106 0.235,107 0.541,108 0.765,109 0.845,110 0.845,111 0.845,112 3.668,113 0.983,114 -4.05,115 -4,116 -3.79,118 36.4,119 1,120 7,123 3,124 2,126 3,137 3,138 1,139 3,140 1,142 1,145 1,150 2,162 7,164 3,165 7,167 3,169 4,170 6,173 4,174 9,176 1,178 4,180 1,183 1,184 11,186 2,188 2,190 4,193 5,194 11,196 2,201 8,203 1,204 11,206 1,207 1,208 3,210 4,212 1,213 10,216 1,218 3,222 3,223 4,225 2,227 2,229 3,231 1,232 5,238 9,241 2746,242 25.825,243 25.825,244 25.825,245 25.825,246 25.825,247 24.229,248 41.796,249 14.896,250 26.489,251 20.56,252 20.56,253 20.56,254 20.56,255 20.56,256 17.857,257 69.22,258 6.879,259 21.543,260 4.742,261 2.765,262 1.313,263 0.792,264 0.792,265 0.792,266 4.37,270 1,271 1181,272 3.674,274 95.957,275 491.975,279 184.801,282 2.488,283 39.385,286 0.75,287 0.67,288 0.83,289 0.9,290 1,291 0.83,292 1,293 0.85,294 82.5,295 541,296 4.556,297 3.94,298 7.095,299 4.309,300 3.364,301 4.074,302 1.989,303 12.265,304 3.179,305 4.337,306 3.579,307 6.265,308 3.962,309 2.987,310 3.964,311 1.058,312 9.475,313 2.92,314 3.977,315 3.207,316 6.218,317 3.685,318 2.725,319 3.31,320 0.86,321 9.008,322 2.606,323 3.85,324 3.103,325 6.021,326 3.621,327 2.668,328 3.169,329 0.835,330 8.455,331 2.543,332 3.738,333 2.837,334 5.936,335 3.525,336 2.565,337 2.805,338 0.8,339 8.238,340 2.462,341 3.571,342 2.803,343 5.392,344 3.425,345 2.453,346 2.7,347 0.543,348 7.057,349 2.377,350 3.437,351 2.464,352 5.302,353 3.107,354 2.167,355 2.588,356 0.4,357 6.625,358 2.026,359 3.096,360 2.306,361 5.09,362 2.976,363 2.038,364 2.138,366 5.761,367 1.904,368 3.081,369 2.176,370 4.893,371 2.92,372 1.97,373 2.13,375 5.676,376 1.857,377 2.887,378 1.938,379 4.347,380 2.467,381 1.527,382 2.022,384 4.065,385 1.429,386 2.714,387 1.808,388 4.146,389 2.279,390 1.272,391 1.692,392 3.349,393 1.27,394 2.586,395 1.647,396 4.044,397 2.175,398 1.206,399 1.593,400 3.124,401 1.164,402 2.177,403 1.243,404 3.827,405 2.095,406 1.128,407 1.169,408 2.618,409 1.087,410 2,411 1.14,412 3.414,413 1.984,414 1,415 1,416 2.275,417 0.983,418 1.992,419 1.077,420 3.31,421 1.651,422 0.66,423 0.786,424 1.372,425 0.647,426 17.8,427 0.468,428 0.955,429 0.025,430 43.25,431 1.138,432 17,433 0.447,434 26.25,435 0.691,436 42.518,437 1.119,438 43.4,439 0.564,440 36.805,441 0.969,442 7.813,443 0.206,444 10.576,445 0.278,446 0.15,448 0.376,452 0.804,453 1.678,454 0.864,455 1.322,456 0.564,457 1.127,458 0.885,459 1.115,460 0.894,461 0.975,462 0.54,463 0.934,464 0.906,465 1.162,466 0.936,467 1.064,468 0.799,469 1.005,470 1.21,471 1.052,472 0.98,473 0.975,474 1.298,475 0.945,476 1.148,477 0.986,478 1.035,479 0.937,480 1.399,481 0.962,482 1.105,483 1.185,484 1.132,485 1.161,486 1.257,487 1.151,488 1.139,489 0.977,490 1.084,491 0.956,492 1.098,493 0.997,494 0.988,495 0.805,496 0.93,497 0.848,498 0.799,499 0.875,500 7.5,501 0.307,502 4.667,503 2.903,504 3.186,505 1.576,506 1.003,507 0.777,508 0.502,509 0.385,510 23285,511 50645,512 2.081,513 50.6,514 7,515 19,517 1,518 2,520 6,521 4,523 1.787,524 1.932,525 3.72,526 0.175,531 117.4,532 1.525,533 3.502,534 4.954,535 5.474,536 5.474,537 5.474,538 3.242,539 4.86,540 5.218,541 3.97,542 2790.61,543 9.189,544 46312.4,549 482.543,550 1.462,551 5.171,552 0.179,553 0.007,554 0.078,555 0.044,556 0.048,557 0.024,558 0.017,559 0.016,560 0.011,561 0.008,562 0.433,563 0.33,564 0.63,565 0.782,566 211.289,567 -0.021,568 -0.336,569 0.075,570 -0.128,571 0.001,572 -0.029,573 0.08,574 0.069,575 0.09,576 0.07,577 0.091,578 0.076,579 0.049,580 -0.064,581 0.047,582 -0.046,583 0.06,584 -0.006,585 -0.082,586 -0.016,587 0.025,588 0.01,589 -0.051,590 0.032,591 0.052,592 0.061,593 -0.02,594 0.043,595 -0.001,596 0.008,597 -0.073,598 -0.125,599 -0.144,600 -0.149,601 -0.099,602 -0.157,603 -0.1,604 0.002,605 -0.084,606 -0.009,607 -0.105,608 -0.036,609 0.041,610 0.15,611 0.066,612 0.117,613 0.027,614 0.099,615 1.764,616 6.135,617 0.711,618 45.526,619 0.998,620 1.14,621 2.823,622 7.97,623 0.631,624 3.761,625 4.111,626 4.431,627 4.718,628 4.984,629 5.106,630 5.242,631 5.366,632 5.481,633 5.568,634 8.367,635 0.594,636 521.74,637 3.761,638 5.323,639 6.196,640 7.093,641 7.985,642 8.888,643 9.788,644 10.694,645 11.599,646 12.508,647 9.1,650 1,651 5}
{0 CHEMBL521851,1 1.78,2 12.029,3 2.892,4 8.361,5 136.875,6 8.286,7 0.5,8 4.265,9 4.373,10 4.076,11 3.821,12 5.256,13 3.78,14 4.867,15 5.038,16 4.41,17 4.247,18 6.005,19 4.193,20 5.085,21 5.279,22 4.431,23 4.39,24 6.061,25 4.298,26 5.148,27 5.363,28 4.399,29 4.418,30 6.122,31 4.302,32 5.146,33 5.383,34 4.367,35 4.396,36 6.121,37 4.26,38 4.99,39 5.187,40 4.34,41 4.365,42 5.882,43 4.246,44 4.978,45 5.161,46 4.376,47 4.342,48 5.958,49 4.235,50 5.064,51 5.284,52 4.373,53 4.333,54 5.977,55 4.213,56 0.138,57 1.053,58 14.833,59 6.041,60 15.843,61 7.068,62 0.636,63 1.735,64 30.612,65 10.283,66 59.844,67 12.197,68 0.71,69 2.06,70 43.941,71 13.352,72 54.192,73 16.27,74 0.565,75 2.113,76 43.593,77 15.122,78 65.169,79 19.016,80 0.887,81 2.089,82 50.078,83 15.742,84 77.777,85 19.215,86 0.447,87 1.937,88 41.98,89 13.99,90 27.589,91 16.735,92 0.442,93 1.876,94 33.878,95 12.865,96 37.968,97 15.547,98 0.531,99 1.975,100 41.626,101 13.47,102 38.358,103 17.095,104 11,105 59,106 0.282,107 0.603,108 0.751,109 0.82,110 0.82,111 0.82,112 3.589,113 1.076,114 -2.75,115 -2.76,116 -2.68,118 37.1,123 1,124 9,137 4,138 2,140 1,141 1,142 1,144 1,147 3,160 1,162 4,164 5,165 4,169 2,170 5,173 2,174 11,178 2,180 2,183 1,184 7,188 1,190 1,193 6,194 4,196 2,201 3,203 2,204 4,210 3,212 2,213 5,216 1,218 1,220 2,222 1,223 9,227 1,229 1,231 3,232 2,241 2196,242 23.797,243 23.797,244 23.797,245 23.797,246 23.797,247 21.272,248 24.599,249 13.813,250 24.654,251 19.826,252 19.826,253 19.826,254 19.826,255 19.826,256 15.807,257 35.664,258 6.611,259 21.261,260 4.175,261 2.151,262 1.222,263 0.786,264 0.786,265 0.786,266 4.307,270 1,271 945,272 3.536,274 149.966,275 393.118,278 276.737,282 1.86,283 36.69,286 0.75,287 0.5,288 0.83,289 0.7,290 0.5,291 0.67,292 1,293 0.71,294 76.5,295 421,296 4.743,297 4.375,298 7.111,299 4.248,300 3.314,301 4.618,302 0.916,303 11.657,304 3.106,305 4.67,306 3.345,307 6.793,308 4.196,309 3.252,310 4.51,311 0.86,312 11.247,313 3.077,314 4.507,315 3.098,316 6.634,317 4.021,318 3.06,319 4.443,320 0.8,321 10.64,322 2.899,323 3.901,324 3.011,325 5.868,326 3.587,327 2.67,328 3.382,329 0.4,330 8.287,331 2.444,332 3.774,333 2.748,334 5.747,335 3.41,336 2.479,337 3.119,338 0.172,339 7.774,340 2.313,341 3.551,342 2.465,343 5.474,344 3.318,345 2.379,346 2.698,348 7.244,349 2.223,350 3.225,351 2.312,352 4.957,353 2.884,354 1.954,355 2.386,357 5.727,358 1.801,359 3.048,360 2.213,361 4.707,362 2.651,363 1.743,364 2.321,366 4.829,367 1.572,368 3.018,369 1.945,370 4.616,371 2.537,372 1.561,373 2.161,375 4.645,376 1.529,377 2.947,378 1.551,379 4.538,380 2.472,381 1.546,382 2.082,384 4.412,385 1.419,386 2.69,387 1.547,388 4.056,389 2.374,390 1.442,391 1.679,392 3.568,393 1.331,394 2.5,395 1.477,396 3.766,397 2.101,398 1.241,399 1.5,400 2.961,401 1.055,402 2.399,403 1.256,404 3.427,405 1.97,406 1,407 1.386,408 2.275,409 0.968,410 2.032,411 1.146,412 3.414,413 1.967,414 1,415 1,416 2.232,417 0.965,418 2,419 1,420 3.392,421 1.952,422 1,423 1,424 2.136,425 0.946,426 16.967,427 0.485,428 0.976,429 0.028,430 44,431 1.257,432 19.5,433 0.557,434 24.5,435 0.7,436 34.932,437 0.998,438 38.233,439 0.617,440 33.767,441 0.965,442 8.183,443 0.234,444 8.77,445 0.251,446 0.069,447 0.049,448 0.306,452 0.656,453 1.477,454 0.755,455 1.185,456 0.629,457 0.973,458 1.053,459 1.012,460 0.947,461 0.842,462 0.575,463 0.802,464 1.163,465 1.101,466 1.174,467 1.089,468 1.061,469 1.003,470 0.92,471 1.152,472 0.95,473 1.029,474 1.121,475 1.043,476 0.851,477 0.783,478 1.102,479 0.917,480 1,481 0.877,482 0.692,483 1.119,484 1.277,485 1.286,486 0.436,487 1.098,488 0.851,489 1.154,490 0.862,491 1.011,492 0.806,493 1.151,494 0.802,495 1.125,496 0.976,497 1.099,498 0.545,499 1.068,500 7.5,501 0.196,502 4,503 2.444,504 1.501,505 1.421,506 0.837,507 0.587,508 0.369,509 0.297,510 18778,511 53154,512 2.184,513 43.5,515 25,517 1,518 1,523 1.771,524 2.069,525 3.527,526 -0.26,531 110.33,532 1.78,533 3.803,534 4.732,535 5.168,536 5.168,537 5.168,538 2.952,539 4.651,540 5.097,541 3.765,542 2240.01,543 8.972,544 34343.3,549 369.16,550 1.437,551 5.068,552 0.188,553 0.006,554 0.068,555 0.042,556 0.027,557 0.026,558 0.015,559 0.011,560 0.007,561 0.007,562 0.398,563 0.33,564 0.63,565 0.597,566 187.789,567 0.082,568 -0.254,569 0.182,570 -0.099,571 -0.092,572 -0.008,573 0.004,574 0.12,575 0.012,576 0.141,577 0.23,578 0.119,579 -0.165,580 -0.034,581 -0.133,582 -0.045,583 -0.105,584 -0.034,585 -0.075,586 -0.163,587 -0.018,588 -0.049,589 -0.092,590 -0.045,591 0.038,592 0.222,593 -0.015,594 0.135,595 -0.064,596 0.129,597 -0.035,598 -0.019,599 -0.161,600 -0.142,601 -0.028,602 -0.072,603 -0.046,604 -0.102,605 -0.032,606 -0.071,607 -0.091,608 -0.182,609 -0.029,610 -0.095,611 0.012,612 -0.092,613 0.01,614 -0.073,615 4.051,616 4.845,617 0.857,618 39.378,619 1.011,620 1.131,621 1.521,622 2.313,623 0.682,624 3.714,625 4.094,626 4.394,627 4.71,628 4.963,629 5.142,630 5.384,631 5.591,632 5.737,633 5.943,634 7.405,635 0.644,636 513.71,637 3.714,638 5.293,639 6.168,640 7.076,641 7.967,642 8.879,643 9.779,644 10.694,645 11.599,646 12.515,647 11.3,650 2,651 5}
{0 CHEMBL522892,1 1.644,2 11.483,3 1.782,4 3.174,5 110.583,6 7.85,7 0.485,8 4.047,9 4.179,10 3.661,11 3.564,12 5.18,13 3.569,14 4.589,15 4.768,16 4.07,17 3.99,18 5.696,19 3.982,20 4.85,21 5.047,22 4.167,23 4.158,24 5.955,25 4.124,26 4.961,27 5.19,28 4.158,29 4.149,30 6.204,31 4.082,32 4.929,33 5.188,34 3.955,35 4.015,36 6.03,37 3.953,38 4.683,39 4.915,40 3.899,41 3.876,42 5.946,43 3.823,44 4.553,45 4.765,46 3.733,47 3.765,48 5.709,49 3.722,50 4.466,51 4.715,52 3.529,53 3.669,54 5.461,55 3.571,56 0.083,57 0.886,58 9.549,59 4.013,60 10.718,61 5.212,62 0.281,63 1.433,64 18.687,65 6.802,66 20.524,67 9.196,68 0.356,69 1.774,70 25.624,71 9.239,72 34.54,73 12.309,74 0.681,75 1.867,76 31.032,77 11.103,78 85.154,79 15.394,80 0.638,81 1.665,82 33.013,83 9.809,84 82.244,85 13.475,86 0.542,87 1.369,88 23.953,89 7.844,90 79.087,91 11.245,92 0.377,93 1.246,94 19.966,95 6.256,96 44.302,97 8.334,98 0.342,99 1.077,100 19.425,101 6.969,102 30.263,103 9.759,104 17,105 49,106 0.274,107 0.65,108 0.766,109 0.845,110 0.851,111 0.851,112 3.409,113 0.868,114 -3.23,115 -3.22,116 -3.09,118 42,123 1,124 4,133 1,134 1,137 6,138 1,139 3,141 1,147 1,150 1,153 1,155 1,156 1,157 1,162 3,165 5,167 2,169 7,170 5,172 2,173 1,174 2,178 3,180 2,183 2,184 4,185 2,186 4,187 3,188 4,189 2,190 4,191 2,194 3,196 1,198 1,201 2,202 1,204 7,208 6,210 2,211 2,212 1,213 2,218 3,220 1,221 1,222 1,223 1,224 1,225 3,229 4,232 1,238 4,241 1256,242 19.602,243 19.602,244 19.602,245 19.602,246 19.602,247 17.385,248 24.416,249 11.161,250 20.029,251 16.271,252 16.271,253 16.271,254 16.271,255 16.271,256 12.814,257 38.408,258 5.297,259 16.992,260 4,261 1.741,262 1.045,263 0.575,264 0.535,265 0.535,266 4.117,269 1,270 1,271 743,272 2.449,274 55.207,275 299.019,278 103.645,279 121.954,282 1.812,283 34.854,286 1,287 1,288 1,289 0.8,290 0.5,291 1,292 1,293 0.9,294 63.5,295 333,296 4.69,297 3.682,298 6.995,299 4.293,300 3.315,301 4.499,302 1.058,303 11.831,304 3.24,305 4.463,306 3.195,307 6.446,308 3.999,309 3.039,310 4.229,311 0.8,312 10.011,313 2.917,314 4.083,315 3.178,316 6.242,317 3.746,318 2.798,319 3.582,320 0.8,321 9.293,322 2.663,323 3.877,324 2.928,325 5.995,326 3.545,327 2.576,328 3.213,330 8.506,331 2.476,332 3.438,333 2.619,334 5.245,335 3.198,336 2.272,337 2.657,339 6.296,340 2.104,341 3.362,342 2.456,343 5.046,344 3.062,345 2.103,346 2.443,348 6.089,349 2.009,350 3.138,351 2.337,352 4.921,353 2.728,354 1.774,355 2.342,357 5.143,358 1.682,359 3.102,360 1.867,361 4.76,362 2.649,363 1.676,364 2.278,366 4.751,367 1.612,368 3.005,369 1.568,370 4.467,371 2.487,372 1.526,373 2.207,375 4.417,376 1.464,377 2.699,378 1.502,379 4.256,380 2.341,381 1.38,382 1.738,384 3.83,385 1.321,386 2.593,387 1.272,388 3.808,389 2.151,390 1.179,391 1.604,392 2.795,393 1.14,394 2,395 1.146,396 3.414,397 1.967,398 1,399 1,400 2.275,401 0.965,402 1.897,403 0.818,404 3.213,405 1.38,406 0.433,407 0.624,408 1.12,409 0.409,410 1.465,411 0.457,412 3.162,413 1.051,414 0.076,415 0.094,416 0.213,417 0.073,418 1.178,419 0.275,420 2.854,421 0.878,422 -0.092,423 -0.11,424 -0.243,425 -0.087,426 13.519,427 0.466,428 0.836,429 0.029,430 38.25,431 1.319,432 18,433 0.621,434 20.25,435 0.698,436 23.671,437 0.816,438 30.881,439 0.618,440 30.221,441 1.042,442 7.694,443 0.265,444 6.314,445 0.218,446 0.112,448 0.429,451 1,452 0.761,453 1.227,454 0.733,455 1.004,456 0.603,457 0.876,458 0.78,459 1.051,460 0.767,461 0.88,462 0.511,463 0.817,464 0.982,465 1.14,466 0.96,467 1.062,468 0.839,469 1.01,470 0.611,471 0.966,472 0.877,473 1.122,474 0.682,475 1.081,476 1.312,477 0.92,478 1.016,479 0.822,480 1.372,481 0.845,482 0.677,483 0.932,484 0.807,485 0.966,486 0.623,487 0.921,488 1.293,489 1.065,490 1.203,491 1.03,492 1.22,493 1.073,494 0.62,495 0.818,496 0.918,497 0.979,498 0.604,499 1.009,500 6,501 0.157,502 3.778,503 2.854,504 2.049,505 1.487,506 0.535,507 0.575,508 0.277,509 0.221,510 11120,511 28665,512 2.15,513 42,515 17,518 4,523 1.719,524 2,525 3.45,526 1.663,527 1,528 1,531 82.206,532 1.644,533 3.902,534 4.599,535 5.069,536 5.109,537 5.109,538 2.935,539 4.72,540 4.828,541 3.607,542 1464.55,543 8.406,544 19174.4,546 1,548 1,549 282.193,550 1.44,551 4.786,552 0.182,553 0.008,554 0.077,555 0.055,556 0.043,557 0.037,558 0.014,559 0.018,560 0.011,561 0.009,562 0.453,563 0.33,564 0.88,565 0.562,566 146.101,567 -0.096,568 -0.139,569 0.038,570 0.001,571 -0.069,572 0.043,573 -0.023,574 -0.02,575 0.087,576 0.091,577 0.054,578 0.113,579 -0.106,580 -0.115,581 -0.058,582 -0.079,583 -0.032,584 -0.059,585 0.307,586 0.001,587 0.088,588 -0.136,589 0.247,590 -0.096,591 -0.166,592 0.035,593 0.03,594 0.131,595 -0.15,596 0.13,597 0.239,598 -0.01,599 0.168,600 0.011,601 0.297,602 0.064,603 -0.238,604 -0.055,605 -0.253,606 -0.098,607 -0.183,608 -0.158,609 0.117,610 0.063,611 0.046,612 0.016,613 0.046,614 0.01,615 2.147,616 6.324,617 0.862,618 26.894,619 1.01,620 1.137,621 1.995,622 3.981,623 0.67,624 3.526,625 3.912,626 4.248,627 4.575,628 4.828,629 4.997,630 5.142,631 5.333,632 5.489,633 5.62,634 6.538,635 0.649,636 392.48,637 3.526,638 5.106,639 5.994,640 6.907,641 7.808,642 8.726,643 9.633,644 10.554,645 11.465,646 12.388,647 12,648 1,650 1,651 5}
{0 CHEMBL525191,1 1.571,2 9.36,3 2.407,4 5.796,5 95.753,6 7.777,7 0.607,8 3.887,9 3.997,10 3.491,11 3.444,12 5.086,13 3.433,14 4.376,15 4.534,16 3.818,17 3.851,18 5.433,19 3.817,20 4.601,21 4.805,22 3.851,23 3.954,24 5.622,25 3.889,26 4.61,27 4.801,28 3.855,29 3.935,30 5.719,31 3.874,32 4.636,33 4.853,34 3.777,35 3.9,36 5.678,37 3.828,38 4.539,39 4.74,40 3.71,41 3.879,42 5.524,43 3.791,44 4.612,45 4.842,46 3.659,47 3.849,48 5.599,49 3.744,50 4.589,51 4.841,52 3.498,53 3.676,54 5.628,55 3.571,56 0.128,57 0.648,58 8.273,59 3.802,60 17.434,61 4.705,62 0.141,63 1.043,64 14.684,65 6.079,66 19.042,67 7.92,68 0.259,69 1.235,70 20.378,71 7.795,72 29.015,73 10.613,74 0.239,75 1.236,76 20.176,77 7.747,78 35.055,79 10.37,80 0.304,81 1.234,82 22.102,83 7.93,84 38.06,85 10.684,86 0.178,87 1.135,88 18.979,89 7.899,90 23.238,91 10.631,92 0.158,93 1.179,94 21.549,95 8.453,96 27.666,97 11.768,98 0.338,99 1.09,100 22.914,101 7.773,102 45.313,103 10.679,104 10,105 39,106 0.271,107 0.641,108 0.81,109 0.864,110 0.872,111 0.872,112 3.268,113 0.882,114 -3.29,115 -3.28,116 -3.14,118 44.2,120 2,124 2,137 5,138 5,140 2,141 1,146 1,149 1,158 1,160 1,162 11,165 7,170 14,174 9,176 1,178 2,180 12,184 8,186 1,188 3,190 9,193 1,194 6,198 3,201 7,203 1,204 6,208 3,210 6,213 4,218 5,220 5,222 2,223 3,227 2,229 2,232 4,234 3,236 3,241 939,242 17.533,243 17.533,244 17.533,245 17.533,246 17.533,247 15.205,248 10.747,249 10.464,250 17.81,251 13.767,252 13.767,253 13.767,254 13.767,255 13.767,256 10.404,257 8.152,258 4.819,259 14.159,260 3.855,261 1.712,262 0.735,263 0.419,264 0.372,265 0.372,266 3.968,268 1,269 1,270 1,271 510,272 2.646,274 119.434,275 132.364,278 94.583,282 1.414,283 19.209,285 1,286 1,287 1,288 1,289 0.8,290 0.5,291 1,292 1,293 0.9,294 54,295 234,296 4.565,297 3.778,298 6.739,299 4.192,300 3.205,301 4.287,302 1.869,303 11.05,304 3.165,305 4.378,306 3.217,307 6.521,308 4.019,309 3.032,310 3.985,312 10.25,313 2.992,314 3.852,315 3.053,316 5.762,317 3.454,318 2.464,319 3.367,321 7.804,322 2.441,323 3.676,324 2.481,325 5.311,326 3.275,327 2.32,328 3.068,330 6.828,331 2.21,332 3.301,333 2.431,334 5.079,335 2.871,336 1.897,337 2.516,339 5.756,340 1.845,341 3.087,342 2.061,343 4.533,344 2.633,345 1.675,346 2.302,348 4.321,349 1.604,350 2.833,351 1.757,352 4.195,353 2.437,354 1.451,355 1.951,357 3.721,358 1.429,359 2.623,360 1.544,361 3.925,362 2.178,363 1.223,364 1.66,366 3.009,367 1.164,368 2.5,369 1.473,370 3.463,371 1.984,372 1,373 1.5,375 2.219,376 0.983,377 2.272,378 1.126,379 3.247,380 1.879,381 0.938,382 1.163,384 2.136,385 0.874,386 2.089,387 1,388 3.242,389 1.746,390 0.789,391 1.052,392 1.67,393 0.752,394 1.944,395 0.801,396 3.122,397 1.722,398 0.74,399 0.858,400 1.602,401 0.727,402 1.422,403 0.701,404 2.731,405 1.243,406 0.246,407 0.274,408 0.393,409 0.245,410 0.82,411 -0.045,412 2.558,413 0.474,414 -0.419,415 -0.458,416 -0.698,417 -0.37,418 0.744,419 -0.169,420 2.323,421 0.453,422 -0.53,423 -0.68,424 -1.344,425 -0.52,426 11.767,427 0.471,428 0.462,429 0.018,430 33.5,431 1.34,432 17.5,433 0.7,434 16,435 0.64,436 18.479,437 0.739,438 26.033,439 0.605,440 23.883,441 0.955,442 6.764,443 0.271,444 5.532,445 0.221,446 0.057,448 0.331,452 0.777,453 1.047,454 0.762,455 0.91,456 0.854,457 0.857,458 0.846,459 1.093,460 0.878,461 0.927,462 0.698,463 0.903,464 0.765,465 0.989,466 0.925,467 0.934,468 0.707,469 0.944,470 0.886,471 1.156,472 1.012,473 1.108,474 0.809,475 1.081,476 1.035,477 0.948,478 1.03,479 0.951,480 0.931,481 0.977,482 0.681,483 1.081,484 0.994,485 1.145,486 0.685,487 1.13,488 0.645,489 1.179,490 0.967,491 1.215,492 0.583,493 1.156,494 1.092,495 0.916,496 1.061,497 1.031,498 1.112,499 1.04,500 4,501 0.061,502 2.667,503 1.764,504 1.429,505 0.771,506 0.42,507 0.323,508 0.268,509 0.166,510 6854,511 19534,512 2.154,513 41.9,514 2,515 9,516 1,517 2,518 2,519 2,523 1.686,524 2.055,525 3.21,526 0.273,527 1,528 1,529 1,531 67.56,532 1.571,533 3.714,534 4.691,535 5.008,536 5.054,537 5.054,538 2.695,539 4.484,540 4.611,541 3.343,542 1002.81,543 8.007,544 11865.8,546 1,548 1,549 233.329,550 1.26,551 4.592,552 0.143,553 0.006,554 0.068,555 0.045,556 0.038,557 0.022,558 0.013,559 0.011,560 0.011,561 0.01,562 0.367,563 0.33,564 1,565 0.955,566 118.82,567 0.079,568 0.08,569 0.035,570 0.097,571 -0.018,572 0.054,573 -0.129,574 0.006,575 -0.038,576 0.064,577 -0.085,578 0.036,579 -0.03,580 0.043,581 -0.014,582 0.053,583 -0.055,584 0.03,585 -0.041,586 -0.125,587 -0.101,588 -0.128,589 -0.01,590 -0.125,591 -0.12,592 0.056,593 -0.072,594 0.02,595 -0.073,596 -0.009,597 -0.009,598 -0.094,599 -0.091,600 -0.128,601 -0.052,602 -0.127,603 0.029,604 -0.231,605 -0.019,606 -0.207,607 0.061,608 -0.134,609 -0.04,610 0.007,611 -0.023,612 -0.062,613 -0.029,614 -0.043,615 1.461,616 3.236,617 0.8,618 21.267,619 1.006,620 1.124,621 2.064,622 4.26,623 0.681,624 3.367,625 3.689,626 4.025,627 4.344,628 4.554,629 4.691,630 4.875,631 5.024,632 5.1,633 5.159,634 5.622,635 0.656,636 334.41,637 3.367,638 4.905,639 5.778,640 6.671,641 7.565,642 8.468,643 9.371,644 10.278,645 11.185,646 12.094,647 9.3,651 5}
{0 CHEMBL535,1 1.584,2 11.655,3 2.998,4 8.987,5 113.678,6 7.117,7 0.355,8 4.101,9 4.238,10 3.612,11 3.603,12 5.199,13 3.578,14 4.649,15 4.852,16 3.983,17 3.985,18 5.735,19 3.943,20 4.864,21 5.08,22 4.051,23 4.122,24 5.954,25 4.066,26 4.978,27 5.196,28 4.03,29 4.168,30 6.076,31 4.077,32 5.06,33 5.324,34 3.954,35 4.095,36 6.164,37 3.994,38 4.949,39 5.221,40 3.905,41 4.029,42 6.047,43 3.935,44 4.824,45 5.053,46 3.867,47 3.978,48 5.943,49 3.895,50 4.825,51 5.057,52 3.837,53 3.927,54 6.073,55 3.851,56 0.042,57 0.89,58 12.112,59 4.992,60 8.39,61 6.881,62 0.257,63 1.392,64 22.895,65 8.086,66 28.708,67 11.698,68 0.357,69 1.638,70 29.378,71 9.964,72 45.373,73 13.974,74 0.334,75 1.713,76 32.841,77 11.644,78 54.094,79 16.456,80 0.714,81 1.689,82 38.27,83 11.448,84 97.478,85 16.832,86 0.566,87 1.535,88 34.091,89 10.532,90 95.888,91 15.545,92 0.404,93 1.417,94 28.873,95 9.612,96 60.464,97 13.7,98 0.648,99 1.43,100 29.772,101 9.203,102 101.382,103 12.854,104 59,105 44,106 0.262,107 0.599,108 0.765,109 0.838,110 0.838,111 0.838,112 3.408,113 0.956,114 -3.6,115 -3.57,116 -3.41,118 39.3,119 4,124 4,132 1,133 1,137 3,138 3,139 2,147 2,150 2,162 6,165 4,167 2,169 8,170 7,174 3,176 1,178 6,180 8,184 4,186 1,187 1,188 3,190 8,193 1,194 4,196 1,197 1,198 5,201 5,204 4,208 4,210 4,213 6,216 1,218 3,220 6,222 1,223 2,225 2,226 1,227 1,229 5,232 2,236 3,238 5,241 1395,242 19.24,243 19.24,244 19.24,245 19.24,246 19.24,247 17.408,248 25.99,249 11.043,250 19.62,251 15.105,252 15.105,253 15.105,254 15.105,255 15.105,256 12.167,257 30.71,258 5.039,259 15.616,260 4.223,261 2.178,262 1.175,263 0.732,264 0.732,265 0.732,266 4.082,269 1,270 1,271 707,272 4.062,274 154.273,275 84.801,278 128.978,282 2.105,283 37.028,286 1,287 1,288 1,289 1,290 1,291 1,292 1,293 1,294 63.5,295 338,296 4.619,297 3.668,298 6.845,299 4.245,300 3.256,301 4.332,302 1.058,303 11.257,304 3.22,305 4.49,306 3.635,307 6.721,308 4.136,309 3.145,310 4.111,311 1.058,312 10.905,313 3.113,314 3.829,315 2.996,316 5.705,317 3.416,318 2.463,319 3.258,320 0.8,321 7.519,322 2.375,323 3.628,324 2.971,325 5.455,326 3.355,327 2.406,328 2.899,330 6.694,331 2.255,332 3.438,333 2.78,334 5.271,335 3.242,336 2.267,337 2.569,339 6.623,340 2.192,341 3.317,342 2.546,343 4.966,344 2.899,345 1.936,346 2.442,348 5.734,349 1.844,350 3.173,351 2.205,352 4.871,353 2.803,354 1.823,355 2.338,357 5.105,358 1.774,359 3.033,360 1.951,361 4.707,362 2.635,363 1.64,364 2.146,366 4.754,367 1.62,368 2.728,369 1.567,370 4.407,371 2.374,372 1.413,373 1.77,375 3.88,376 1.355,377 2.382,378 1.546,379 3.65,380 2.036,381 1.042,382 1.241,384 2.355,385 1.029,386 2.163,387 0.941,388 3.368,389 1.773,390 0.787,391 1.057,392 2.007,393 0.771,394 1.618,395 0.82,396 3.011,397 1.591,398 0.618,399 0.618,400 0.791,401 0.6,402 1.513,403 0.744,404 2.628,405 1.138,406 0.177,407 0.203,408 0.399,409 0.168,410 1.183,411 0.576,412 2.618,413 1.037,414 0.066,415 0.078,416 0.124,417 0.063,418 1.042,419 0.375,420 2.459,421 0.77,422 -0.24,423 -0.277,424 -0.524,425 -0.238,426 13.552,427 0.467,428 0.822,429 0.028,430 33.5,431 1.155,432 15,433 0.517,434 18.5,435 0.638,436 28.078,437 0.968,438 32.648,439 0.583,440 27.063,441 0.933,442 6.772,443 0.234,444 7.078,445 0.244,446 0.218,448 0.398,451 1,452 0.676,453 1.273,454 0.827,455 1.147,456 0.544,457 1.031,458 0.653,459 1.063,460 0.753,461 0.935,462 0.489,463 0.866,464 1.045,465 0.979,466 0.964,467 0.941,468 0.905,469 0.924,470 0.854,471 1.157,472 1.037,473 1.261,474 0.867,475 1.201,476 1.031,477 0.824,478 0.956,479 0.87,480 1.142,481 0.898,482 0.887,483 0.832,484 0.814,485 0.796,486 0.831,487 0.782,488 0.966,489 0.95,490 0.971,491 1.055,492 1.062,493 1.029,494 1.226,495 0.956,496 1.076,497 0.927,498 1.288,499 0.968,500 6.5,501 0.086,502 3.778,503 3.368,504 1.503,505 1.07,506 0.754,507 0.607,508 0.463,509 0.194,510 10261,511 26966,512 1.973,513 48.2,514 3,515 12,518 3,519 3,520 6,523 1.719,524 1.794,525 3.48,526 0.891,527 1,528 1,531 88.722,532 1.584,533 3.63,534 4.633,535 5.075,536 5.075,537 5.075,538 2.945,539 4.487,540 4.825,541 3.702,542 1503.13,543 8.406,544 20612.1,546 1,548 1,549 325.212,550 1.556,551 4.756,552 0.21,553 0.005,554 0.086,555 0.073,556 0.036,557 0.028,558 0.02,559 0.017,560 0.014,561 0.008,562 0.496,563 0.33,564 1,565 1.766,566 148.127,567 -0.05,568 -0.12,569 0.029,570 -0.024,571 -0.046,572 0.012,573 0.072,574 -0.021,575 0.162,576 0.094,577 0.093,578 0.138,579 -0.107,580 0.081,581 -0.009,582 0.066,583 -0.036,584 0.059,585 -0.003,586 -0.198,587 -0.098,588 -0.243,589 -0.002,590 -0.201,591 0.014,592 0.03,593 0.048,594 0.059,595 -0.045,596 0.055,597 0.053,598 0.076,599 0.178,600 0.156,601 0.098,602 0.193,603 -0.01,604 -0.052,605 -0.006,606 -0.067,607 -0.037,608 -0.046,609 0.004,610 0.02,611 -0.061,612 0.03,613 0.027,614 -0.021,615 2.071,616 5.703,617 0.483,618 30.19,619 1.003,620 1.138,621 2.373,622 5.63,623 0.643,624 3.466,625 3.807,626 4.094,627 4.357,628 4.489,629 4.564,630 4.718,631 4.852,632 4.844,633 4.875,634 7.02,635 0.611,636 398.53,637 3.466,638 5.017,639 5.878,640 6.77,641 7.651,642 8.551,643 9.443,644 10.348,645 11.247,646 12.154,647 7.1,650 1,651 5.824}
{0 CHEMBL553,1 1.568,2 11.345,3 4.31,4 18.575,5 110.749,6 7.567,7 0.548,8 4.05,9 4.152,10 3.627,11 3.526,12 5.216,13 3.534,14 4.559,15 4.716,16 3.895,17 3.835,18 5.642,19 3.833,20 4.683,21 4.845,22 3.989,23 3.966,24 5.793,25 3.938,26 4.733,27 4.933,28 3.953,29 3.987,30 5.768,31 3.933,32 4.809,33 5.016,34 3.978,35 3.993,36 5.841,37 3.949,38 4.756,39 4.929,40 4.008,41 4.017,42 5.839,43 3.974,44 4.81,45 5.008,46 3.969,47 4.04,48 5.839,49 3.981,50 4.868,51 5.089,52 3.861,53 3.961,54 5.891,55 3.89,56 0.054,57 0.714,58 10.332,59 4.677,60 11.647,61 5.733,62 0.454,63 1.069,64 20.708,65 7.197,66 33.876,67 8.665,68 0.65,69 1.236,70 23.177,71 8.149,72 39.845,73 10.493,74 0.305,75 1.325,76 24.251,77 9.042,78 32.353,79 12.318,80 0.58,81 1.335,82 27.897,83 9.386,84 47.402,85 12.503,86 0.618,87 1.309,88 25.009,89 9.121,90 42.197,91 11.875,92 0.375,93 1.41,94 26.398,95 9.44,96 37.479,97 12.731,98 0.676,99 1.381,100 30.36,101 9.574,102 54.708,103 12.892,104 31,105 40,106 0.261,107 0.608,108 0.734,109 0.816,110 0.822,111 0.828,112 3.408,113 0.881,114 -4.13,115 -4.08,116 -3.86,118 42.3,123 2,124 4,135 1,136 1,137 6,138 2,139 3,141 1,142 1,143 1,162 7,164 1,165 5,167 1,169 3,170 8,173 3,174 5,178 3,180 6,183 1,184 4,186 1,188 3,190 4,193 2,194 4,196 1,198 1,201 5,203 3,204 7,206 1,210 6,212 1,213 6,220 5,222 2,223 6,225 1,229 3,231 2,232 5,234 1,238 1,241 1486,242 20.231,243 20.231,244 20.231,245 20.231,246 20.231,247 18.156,248 25.355,249 12.658,250 21.081,251 15.244,252 15.244,253 15.244,254 15.244,255 15.244,256 11.96,257 33.398,258 5.909,259 16.407,260 4.133,261 2.047,262 1.289,263 0.798,264 0.76,265 0.721,266 4.097,269 1,270 1,271 682,272 3.674,275 246.825,279 132.191,282 1.874,283 25.957,286 1,287 0.83,288 0.83,289 0.8,290 0.5,291 1,292 1,293 0.85,294 63.5,295 329,296 4.576,297 3.304,298 6.586,299 4.1,300 3.136,301 4.513,302 0.86,303 10.539,304 3.024,305 4.143,306 3.021,307 6.058,308 3.703,309 2.742,310 3.734,311 0.86,312 8.765,313 2.658,314 3.986,315 2.877,316 5.609,317 3.548,318 2.592,319 3.488,320 0.86,321 7.719,322 2.446,323 3.608,324 2.47,325 5.22,326 3.101,327 2.143,328 2.885,329 0.86,330 6.393,331 2.053,332 3.385,333 2.413,334 4.889,335 2.865,336 1.923,337 2.648,338 0.4,339 5.548,340 1.814,341 3.041,342 2.207,343 4.525,344 2.663,345 1.762,346 2.233,348 4.576,349 1.568,350 2.914,351 2.059,352 3.977,353 2.505,354 1.618,355 1.891,357 3.444,358 1.426,359 2.818,360 1.888,361 3.619,362 2.411,363 1.492,364 1.789,366 3.079,367 1.361,368 2.628,369 1.506,370 3.536,371 2.221,372 1.285,373 1.631,375 2.753,376 1.213,377 2.615,378 1.335,379 3.495,380 2.144,381 1.202,382 1.513,384 2.621,385 1.113,386 2.511,387 1.278,388 3.163,389 1.633,390 0.757,391 0.885,392 1.559,393 0.658,394 1.926,395 1.081,396 2.853,397 1.539,398 0.705,399 0.853,400 1.184,401 0.584,402 1.758,403 0.574,404 2.832,405 1.43,406 0.431,407 0.731,408 0.629,409 0.43,410 1.433,411 0.527,412 2.673,413 1.114,414 0.201,415 0.233,416 0.434,417 0.182,418 1.182,419 0.247,420 2.599,421 0.824,422 -0.088,423 -0.107,424 -0.191,425 -0.08,426 13.533,427 0.467,428 0.427,429 0.015,430 38.5,431 1.328,432 19.5,433 0.672,434 19,435 0.655,436 21.738,437 0.75,438 31.467,439 0.605,440 30.457,441 1.05,442 8.161,443 0.281,444 6.084,445 0.21,446 0.111,448 0.259,452 0.923,453 1.4,454 0.769,455 1.227,456 0.863,457 1.008,458 1.614,459 0.873,460 1.004,461 0.778,462 1.214,463 0.78,464 1.081,465 1.08,466 0.991,467 0.912,468 0.945,469 0.93,470 0.759,471 1.194,472 0.883,473 1.117,474 0.815,475 1.036,476 1.124,477 0.903,478 0.918,479 0.847,480 0.994,481 0.843,482 0.964,483 1.081,484 0.995,485 1.025,486 0.938,487 1.021,488 0.957,489 1.159,490 1.039,491 1.121,492 0.893,493 1.088,494 1.258,495 0.925,496 1.137,497 0.942,498 1.129,499 0.997,500 4.5,501 0.128,502 2.222,503 1.438,504 1.56,505 0.792,506 0.586,507 0.46,508 0.303,509 0.208,510 9971,511 28979,512 2.053,513 44.2,515 20,516 1,517 1,518 1,523 1.725,524 1.955,525 3.483,526 -0.336,528 1,531 81.519,532 1.568,533 3.653,534 4.412,535 4.902,536 4.941,537 4.979,538 2.957,539 4.858,540 4.82,541 3.63,542 1473.82,543 8.434,544 20207.6,546 1,548 1,549 296.423,550 1.233,551 4.804,552 0.145,553 0.006,554 0.056,555 0.033,556 0.038,557 0.019,558 0.014,559 0.011,560 0.009,561 0.007,562 0.338,563 0.33,564 1,565 1.643,566 147.354,567 -0.043,568 -0.249,569 0.065,570 -0.167,571 -0.038,572 -0.05,573 -0.245,574 0.169,575 -0.022,576 0.2,577 -0.18,578 0.137,579 0.081,580 -0.023,581 -0.039,582 0.074,583 0.011,584 0.006,585 0.037,586 -0.145,587 0.045,588 -0.125,589 0.031,590 -0.055,591 -0.023,592 0.095,593 0.075,594 0.121,595 -0.007,596 0.116,597 0.115,598 -0.045,599 -0.046,600 -0.03,601 0.02,602 -0.066,603 -0.071,604 -0.104,605 -0.1,606 -0.144,607 -0.036,608 -0.126,609 -0.098,610 0.065,611 -0.119,612 -0.004,613 -0.084,614 -0.054,615 1.108,616 2.357,617 0.552,618 32.749,619 1.009,620 1.125,621 2.902,622 8.423,623 0.662,624 3.466,625 3.714,626 3.97,627 4.234,628 4.511,629 4.625,630 4.771,631 4.905,632 5.017,633 5.017,634 6.746,635 0.638,636 393.48,637 3.466,638 4.963,639 5.79,640 6.645,641 7.502,642 8.374,643 9.245,644 10.126,645 11.004,646 11.891,647 5.8,651 5}
{0 CHEMBL554,1 1.816,2 17.4,3 6.255,4 39.126,5 152.448,6 8.805,7 0.636,8 4.306,9 4.395,10 4.109,11 3.908,12 5.446,13 3.881,14 4.829,15 4.958,16 4.397,17 4.268,18 6.123,19 4.239,20 5.076,21 5.243,22 4.42,23 4.346,24 6.269,25 4.299,26 5.076,27 5.278,28 4.34,29 4.305,30 6.187,31 4.234,32 5.025,33 5.23,34 4.277,35 4.306,36 6.114,37 4.221,38 4.952,39 5.129,40 4.381,41 4.311,42 6.078,43 4.24,44 4.986,45 5.172,46 4.433,47 4.32,48 6.18,49 4.243,50 4.938,51 5.12,52 4.341,53 4.213,54 6.171,55 4.146,56 0.16,57 1.011,58 12.31,59 6.42,60 21.401,61 6.763,62 0.486,63 1.617,64 26.002,65 10.989,66 63.858,67 11.764,68 0.911,69 1.929,70 36.244,71 13.271,72 105.739,73 14.463,74 0.861,75 1.894,76 37.427,77 13.509,78 86.989,79 16.077,80 0.9,81 1.805,82 40.185,83 13.57,84 93.378,85 16.058,86 0.663,87 1.655,88 29.907,89 12.198,90 64.253,91 14.715,92 0.713,93 1.742,94 34.463,95 12.827,96 64.704,97 15.491,98 0.726,99 1.618,100 35.717,101 12.338,102 78.312,103 14.109,104 31,105 62,106 0.283,107 0.622,108 0.804,109 0.906,110 0.906,111 0.906,112 3.717,113 1.011,114 -5.1,115 -5,116 -4.68,118 43.9,123 1,124 4,137 12,138 3,139 4,141 1,142 1,143 1,147 2,162 10,164 2,165 8,167 1,169 3,170 11,174 10,176 1,178 3,180 9,184 8,186 3,188 4,190 8,194 3,196 1,198 2,201 10,203 2,204 5,206 1,208 3,210 13,212 3,213 6,218 4,220 9,223 6,227 2,229 8,231 1,232 6,234 2,235 1,236 1,238 5,241 3850,242 26.703,243 26.703,244 26.703,245 26.703,246 26.703,247 22.984,248 28.108,249 15.708,250 27.495,251 21.775,252 21.775,253 21.775,254 21.775,255 21.775,256 16.106,257 40.3,258 7.533,259 23.138,260 4.229,261 2.048,262 0.875,263 0.224,264 0.224,265 0.224,266 4.421,267 1,270 1,271 1499,272 4.301,274 115.698,275 520.673,279 201.137,282 3.11,283 50.596,286 0.75,287 0.67,288 0.67,289 0.5,290 0.5,291 0.67,292 0.5,293 0.61,294 87.833,295 696,296 4.622,297 5.046,298 6.557,299 4.091,300 3.113,301 4.484,302 2.95,303 10.419,304 3.053,305 4.553,306 3.295,307 6.394,308 3.952,309 3.098,310 4.423,311 1.151,312 9.951,313 2.799,314 4.254,315 3.144,316 6.141,317 3.843,318 2.887,319 3.899,320 0.657,321 9.089,322 2.635,323 4.203,324 2.997,325 6.071,326 3.77,327 2.813,328 3.853,329 0.4,330 8.773,331 2.608,332 4.037,333 2.926,334 5.503,335 3.614,336 2.641,337 3.645,339 7.439,340 2.56,341 3.688,342 2.624,343 5.406,344 3.324,345 2.358,346 3.091,348 7.038,349 2.285,350 3.574,351 2.541,352 5.292,353 3.199,354 2.241,355 2.932,357 6.74,358 2.112,359 3.348,360 2.408,361 5.006,362 2.929,363 1.991,364 2.683,366 5.733,367 1.853,368 3.281,369 2.239,370 4.748,371 2.839,372 1.885,373 2.54,375 5.298,376 1.788,377 2.987,378 2.071,379 4.32,380 2.536,381 1.588,382 2.201,384 4.068,385 1.504,386 2.848,387 1.963,388 4.186,389 2.363,390 1.472,391 1.979,392 3.785,393 1.329,394 2.764,395 1.679,396 4.053,397 2.358,398 1.427,399 1.859,400 3.38,401 1.24,402 2.671,403 1.456,404 3.628,405 2.192,406 1.206,407 1.75,408 2.904,409 1.182,410 2.471,411 1.349,412 3.49,413 2.176,414 1.199,415 1.461,416 2.627,417 1.168,418 2.367,419 1.237,420 3.426,421 1.902,422 0.942,423 1.314,424 2.268,425 0.902,426 19.267,427 0.482,428 1.113,429 0.028,430 56,431 1.4,432 30,433 0.75,434 26,435 0.65,436 33.504,437 0.838,438 42.533,439 0.644,440 46.672,441 1.167,442 11.054,443 0.276,444 8.177,445 0.204,446 0.112,447 0.043,448 0.285,451 1,452 0.647,453 1.128,454 0.688,455 1.073,456 0.623,457 0.875,458 0.858,459 1.063,460 0.966,461 1.127,462 0.602,463 0.949,464 1.253,465 1.062,466 1.009,467 0.989,468 1.243,469 1.028,470 0.982,471 0.95,472 0.884,473 0.885,474 0.783,475 0.97,476 0.95,477 0.822,478 1.089,479 0.878,480 0.811,481 0.926,482 0.713,483 0.876,484 0.769,485 0.874,486 0.661,487 0.953,488 0.708,489 0.976,490 0.962,491 0.935,492 0.532,493 0.95,494 1.046,495 1.077,496 1.104,497 1.056,498 0.899,499 1.046,500 9.5,501 0.247,502 4,503 2.035,504 2.117,505 1.153,506 0.772,507 0.813,508 0.45,509 0.353,510 30303,511 99733,512 2.086,513 39.4,515 23,517 1,518 2,523 1.796,524 1.959,525 4.033,526 0.174,531 119.837,532 1.816,533 3.996,534 5.169,535 5.821,536 5.821,537 5.821,538 3.504,539 4.934,540 5.283,541 4.275,542 3334.52,543 9.312,544 61875.3,549 398.93,550 1.479,551 5.251,552 0.216,553 0.006,554 0.065,555 0.034,556 0.039,557 0.022,558 0.014,559 0.014,560 0.009,561 0.009,562 0.428,563 0.17,564 0.63,565 1.173,566 231.191,567 -0.002,568 -0.083,569 0.11,570 -0.042,571 -0.104,572 0.023,573 -0.003,574 -0.054,575 -0.09,576 -0.114,577 0.145,578 -0.033,579 -0.163,580 -0.09,581 -0.129,582 -0.067,583 -0.176,584 -0.099,585 -0.052,586 -0.031,587 -0.005,588 0.017,589 -0.037,590 0.001,591 -0.045,592 0.137,593 -0.085,594 0.081,595 -0.061,596 0.073,597 0.049,598 -0.014,599 0.078,600 0.042,601 -0.026,602 0.021,603 0.093,604 -0.067,605 0.064,606 0.02,607 0.098,608 0.036,609 -0.04,610 -0.117,611 -0.02,612 -0.1,613 0.012,614 -0.064,615 3.936,616 5.431,617 0.675,618 67.613,619 1.019,620 1.121,621 3.87,622 14.981,623 0.703,624 3.807,625 4.143,626 4.344,627 4.595,628 4.82,629 4.92,630 5.075,631 5.257,632 5.429,633 5.533,634 10.081,635 0.677,636 581.11,637 3.807,638 5.361,639 6.192,640 7.069,641 7.916,642 8.795,643 9.651,644 10.531,645 11.394,646 12.276,647 6.1,649 1,651 5}
{0 CHEMBL558752,1 1.859,2 15.514,3 6.607,4 43.648,5 120.68,6 9.782,7 0.659,8 4.14,9 4.241,10 3.906,11 3.631,12 5.441,13 3.695,14 4.683,15 4.815,16 4.421,17 3.997,18 6.599,19 4.072,20 4.805,21 4.965,22 4.34,23 4.068,24 6.253,25 4.114,26 4.895,27 5.085,28 4.275,29 4.037,30 6.334,31 4.074,32 4.791,33 4.996,34 4.103,35 4.001,36 6.06,37 3.997,38 4.741,39 4.935,40 4.143,41 4.003,42 6.101,43 3.988,44 4.747,45 4.941,46 4.074,47 3.937,48 6.053,49 3.946,50 4.679,51 4.874,52 4.136,53 3.832,54 6.21,55 3.859,56 0.433,57 1.298,58 4.994,59 4.463,60 58,61 3.926,62 1.625,63 2.602,64 13.283,65 7.528,66 256.909,67 6.634,68 1.126,69 2.085,70 15.851,71 8.278,72 96.766,73 8.136,74 1.547,75 2.154,76 21.864,77 9.137,78 163.102,79 8.751,80 1.325,81 1.796,82 22.163,83 9.058,84 161.056,85 9.772,86 1.088,87 1.738,88 18.796,89 8.595,90 93.831,91 10.334,92 1.274,93 1.818,94 20.869,95 9.059,96 151.43,97 9.427,98 1.392,99 1.646,100 18.967,101 7.413,102 127.495,103 8.361,104 54,105 62,106 0.303,107 0.633,108 0.765,109 0.865,110 0.865,111 0.865,112 3.642,113 0.779,114 -4.97,115 -4.87,116 -4.57,118 45.3,123 1,130 2,137 9,138 1,139 3,140 1,141 3,146 1,147 1,153 1,154 1,162 5,164 1,165 8,167 3,169 2,170 6,173 1,174 5,176 1,178 3,180 3,183 2,184 5,188 3,190 4,193 2,194 5,196 1,198 2,201 2,204 6,206 1,210 4,213 5,218 2,220 6,222 1,223 3,227 3,229 4,231 2,232 2,234 1,238 1,241 2716,242 24.01,243 24.01,244 24.01,245 24.01,246 24.01,247 20.926,248 25.984,249 13.55,250 25.018,251 20.258,252 20.258,253 20.258,254 20.258,255 20.258,256 15.539,257 34.25,258 6.477,259 22.116,260 3.869,261 1.842,262 1.034,263 0.42,264 0.42,265 0.42,266 4.34,270 1,271 1245,272 4.416,274 199.753,275 366.296,278 165.703,282 2.662,283 69.66,286 0.75,287 0.83,288 0.83,289 0.3,291 0.83,292 1,293 0.65,294 87,295 574,296 4.63,297 4.461,298 7.121,299 4.188,300 3.334,301 4.586,302 3.825,303 11.714,304 2.998,305 4.5,306 4.46,307 7.111,308 4.173,309 3.314,310 4.058,311 3.825,312 11.657,313 2.892,314 4.438,315 3.274,316 6.694,317 4.124,318 3.188,319 3.836,320 0.86,321 10.796,322 2.872,323 4.19,324 3.073,325 6.171,326 3.808,327 2.874,328 3.644,329 0.4,330 9.192,331 2.645,332 3.923,333 2.824,334 5.703,335 3.536,336 2.603,337 3.34,339 7.873,340 2.417,341 3.798,342 2.66,343 5.498,344 3.403,345 2.468,346 3.148,348 7.351,349 2.279,350 3.615,351 2.352,352 5.256,353 3.15,354 2.206,355 2.992,357 6.508,358 2.067,359 3.269,360 2.1,361 5.002,362 2.816,363 1.891,364 2.533,366 5.764,367 1.738,368 3.149,369 1.957,370 4.764,371 2.647,372 1.725,373 2.443,375 5.08,376 1.593,377 3.08,378 1.814,379 4.677,380 2.605,381 1.669,382 2.285,384 4.872,385 1.525,386 2.895,387 1.697,388 4.561,389 2.465,390 1.538,391 2.008,392 4.585,393 1.388,394 2.695,395 1.345,396 4.067,397 2.179,398 1.243,399 1.78,400 3.148,401 1.157,402 2.5,403 1.024,404 3.58,405 2,406 1,407 1.5,408 2.443,409 1,410 2.379,411 1.002,412 3.479,413 1.868,414 0.932,415 1.328,416 2.275,417 0.864,418 2.248,419 1,420 3.414,421 1.816,422 0.866,423 1.158,424 2.167,425 0.82,426 16.448,427 0.445,428 1.375,429 0.037,430 50.75,431 1.372,432 25,433 0.676,434 25.75,435 0.696,436 28.591,437 0.773,438 40.552,439 0.765,440 46.425,441 1.255,442 10.476,443 0.283,444 6.993,445 0.189,446 0.135,447 0.061,448 0.328,450 6,452 0.64,453 0.992,454 0.548,455 1.029,456 0.615,457 0.848,458 0.472,459 0.706,460 0.574,461 0.901,462 0.351,463 0.851,464 0.705,465 0.837,466 0.843,467 1.046,468 0.505,469 1.053,470 0.981,471 0.909,472 1.155,473 1.001,474 0.9,475 1.111,476 0.792,477 0.758,478 1.037,479 0.888,480 0.759,481 1.027,482 0.408,483 0.564,484 0.767,485 0.971,486 0.358,487 1.09,488 0.889,489 0.891,490 1.015,491 1.021,492 0.773,493 1.083,494 0.571,495 0.683,496 0.832,497 0.883,498 0.642,499 0.988,500 11,501 0.288,502 4.889,503 3.104,504 2.003,505 1.518,506 0.83,507 0.687,508 0.521,509 0.445,510 23805,511 101580,512 2.054,513 30.2,515 12,516 1,517 1,518 2,523 1.776,524 1.881,525 3.885,526 0.269,531 98.521,532 1.859,533 3.886,534 4.694,535 5.308,536 5.308,537 5.308,538 3.357,539 4.736,540 5.178,541 4.124,542 2746.75,543 9.084,544 46955.7,549 303.58,550 1.718,551 5.11,552 0.268,553 0.008,554 0.079,555 0.053,556 0.038,557 0.032,558 0.017,559 0.015,560 0.012,561 0.011,562 0.533,563 0.17,564 0.75,565 0.823,566 207.618,567 -0.073,568 -0.13,569 0.012,570 -0.074,571 -0.112,572 -0.004,573 0.385,574 0.29,575 0.171,576 0.053,577 0.476,578 -0.007,579 -0.032,580 -0.074,581 -0.043,582 -0.131,583 0.05,584 -0.118,585 -0.127,586 -0.043,587 -0.213,588 -0.064,589 -0.103,590 -0.137,591 -0.066,592 0.011,593 -0.068,594 0.076,595 -0.092,596 0.045,597 0.186,598 0.112,599 0.146,600 -0.015,601 0.137,602 -0.004,603 -0.115,604 -0.115,605 -0.032,606 -0.032,607 -0.076,608 0.002,609 0.241,610 0.13,611 0.143,612 0.058,613 0.098,614 0.03,615 5.832,616 4.842,617 0.703,618 49.779,619 1.058,620 1.161,621 3.738,622 13.971,623 0.683,624 3.738,625 4.143,626 4.369,627 4.615,628 4.828,629 4.977,630 5.1,631 5.263,632 5.38,633 5.537,634 9.177,635 0.705,636 518.46,637 3.738,638 5.333,639 6.188,640 7.094,641 7.967,642 8.87,643 9.749,644 10.651,645 11.534,646 12.436,647 11.3,651 5}
{0 CHEMBL572878,1 1.625,2 12.697,3 4.445,4 19.761,5 134.268,6 7.617,7 0.459,8 4.223,9 4.36,10 3.852,11 3.746,12 5.264,13 3.713,14 4.754,15 4.955,16 4.209,17 4.106,18 5.761,19 4.045,20 4.954,21 5.18,22 4.195,23 4.222,24 5.917,25 4.121,26 5.007,27 5.26,28 4.138,29 4.196,30 5.957,31 4.072,32 4.907,33 5.156,34 4.169,35 4.155,36 5.872,37 4.06,38 4.828,39 5.024,40 4.211,41 4.193,42 5.828,43 4.088,44 4.877,45 5.098,46 4.185,47 4.188,48 5.82,49 4.069,50 4.879,51 5.109,52 4.1,53 4.188,54 5.766,55 4.061,56 0.058,57 1.019,58 13.326,59 5.246,60 8.981,61 7.112,62 0.337,63 1.582,64 26.662,65 8.349,66 28.572,67 11.98,68 0.383,69 1.783,70 34.938,71 10.824,72 36.022,73 14.782,74 0.476,75 1.767,76 39.027,77 11.848,78 54.352,79 16.633,80 0.399,81 1.668,82 35.152,83 10.423,84 44.42,85 14.572,86 0.305,87 1.694,88 33.497,89 10.442,90 33.706,91 13.463,92 0.467,93 1.725,94 36.591,95 10.82,96 34.713,97 14.386,98 0.214,99 1.664,100 32.442,101 11.143,102 27.062,103 15.27,104 10,105 52,106 0.261,107 0.597,108 0.766,109 0.828,110 0.828,111 0.828,112 3.532,113 0.976,114 -5.31,115 -5.2,116 -4.86,118 37.7,119 1,120 2,121 1,123 1,124 4,137 6,139 2,142 3,145 1,147 1,150 1,160 1,162 5,164 2,165 7,167 3,169 7,170 5,173 1,174 3,177 1,178 4,180 4,183 2,184 9,186 2,188 2,190 4,193 1,194 7,196 1,198 2,201 6,203 2,204 6,208 2,210 8,212 1,213 4,216 5,218 3,220 3,223 4,229 5,231 3,232 7,234 1,235 1,236 3,238 2,241 2224,242 22.375,243 22.375,244 22.375,245 22.375,246 22.375,247 20.203,248 36.777,249 13.122,250 23.1,251 18.315,252 18.315,253 18.315,254 18.315,255 18.315,256 14.949,257 58.816,258 6.359,259 19.516,260 4.306,261 2.217,262 1.164,263 0.779,264 0.779,265 0.779,266 4.231,270 1,271 927,272 3.317,273 72.439,274 100.105,275 349.914,282 1.967,283 24.624,286 1,287 0.67,288 1,289 1,290 1,291 1,292 1,293 0.95,294 71,295 419,296 4.296,297 4.555,298 6.219,299 3.918,300 2.984,301 3.915,302 2.95,303 9.411,304 2.913,305 4.12,306 3.735,307 6.118,308 3.897,309 2.914,310 3.699,311 1.907,312 8.907,313 2.739,314 4.076,315 3.235,316 5.696,317 3.665,318 2.721,319 3.637,320 0.8,321 7.983,322 2.57,323 3.943,324 3.028,325 5.581,326 3.594,327 2.66,328 3.172,329 0.8,330 7.678,331 2.505,332 3.693,333 2.884,334 5.379,335 3.413,336 2.481,337 2.896,338 0.4,339 7.062,340 2.291,341 3.5,342 2.628,343 5.177,344 3.162,345 2.251,346 2.761,347 0.149,348 6.512,349 2.027,350 3.32,351 2.511,352 5.019,353 3.097,354 2.176,355 2.502,357 6.016,358 1.996,359 3.23,360 2.424,361 4.854,362 2.839,363 1.918,364 2.339,366 5.566,367 1.749,368 2.999,369 2.266,370 4.523,371 2.585,372 1.643,373 2.164,375 4.641,376 1.544,377 2.827,378 1.902,379 4.241,380 2.497,381 1.485,382 1.806,384 3.873,385 1.478,386 2.525,387 1.496,388 4.212,389 2.22,390 1.296,391 1.529,392 3.71,393 1.194,394 2.5,395 1.146,396 3.414,397 2,398 1,399 1.5,400 2.275,401 1,402 2.207,403 1.035,404 3.414,405 1.967,406 1,407 1.069,408 2.275,409 0.965,410 2,411 1,412 3.274,413 1.713,414 0.73,415 1,416 1.735,417 0.716,418 1.524,419 0.772,420 3.035,421 1.145,422 0.243,423 0.294,424 0.623,425 0.213,426 15.867,427 0.481,428 0.831,429 0.025,430 42.25,431 1.28,432 19.5,433 0.591,434 22.75,435 0.689,436 29.594,437 0.897,438 35.733,439 0.586,440 31.31,441 0.949,442 7.95,443 0.241,444 8.063,445 0.244,446 0.084,448 0.334,452 0.846,453 1.424,454 0.766,455 1.035,456 0.61,457 0.965,458 0.844,459 1.167,460 0.835,461 0.974,462 0.529,463 0.932,464 1.259,465 1.066,466 1.108,467 1.013,468 1.154,469 1.008,470 1.025,471 0.973,472 0.987,473 0.99,474 1.167,475 0.955,476 1.077,477 0.918,478 0.916,479 0.826,480 1.004,481 0.76,482 1.123,483 1.263,484 1.39,485 1.299,486 0.981,487 1.1,488 0.858,489 1.033,490 1.346,491 1.267,492 0.643,493 1.09,494 0.802,495 1.164,496 1.033,497 1.101,498 0.55,499 1.055,500 8,501 0.237,502 2.5,503 2.201,504 1.293,505 1.042,506 0.754,507 0.535,508 0.315,509 0.309,510 17151,511 40945,512 2.15,513 45.9,514 4,515 17,518 3,519 4,523 1.755,524 2.041,525 3.619,526 0.892,531 99.127,532 1.625,533 3.714,534 4.766,535 5.152,536 5.152,537 5.152,538 3.068,539 4.378,540 5.01,541 3.837,542 2025.97,543 8.795,544 31258.6,549 361.775,550 1.301,551 4.989,552 0.216,553 0.007,554 0.051,555 0.047,556 0.03,557 0.022,558 0.016,559 0.012,560 0.007,561 0.008,562 0.417,563 0.17,564 0.75,565 0.467,566 176.508,567 -0.01,568 -0.188,569 0.077,570 -0.02,571 -0.007,572 0.006,573 0.139,574 -0.033,575 0.116,576 0.01,577 0.159,578 0.02,579 -0.162,580 0.003,581 -0.073,582 -0.002,583 -0.114,584 -0.049,585 0.017,586 0.004,587 0.057,588 0.025,589 -0.013,590 0.033,591 -0.045,592 0.101,593 0.152,594 0.198,595 -0.001,596 0.219,597 -0.129,598 -0.104,599 -0.135,600 -0.1,601 -0.103,602 -0.104,603 0.05,604 0.097,605 -0.104,606 -0.1,607 -0.06,608 -0.096,609 -0.062,610 -0.122,611 -0.004,612 -0.032,613 -0.02,614 -0.039,615 1.553,616 4.99,617 0.788,618 40.854,619 1.001,620 1.136,621 4.08,622 16.644,623 0.668,624 3.638,625 3.97,626 4.159,627 4.407,628 4.595,629 4.682,630 4.844,631 5.024,632 5.159,633 5.278,634 7.753,635 0.629,636 464.66,637 3.638,638 5.187,639 6.028,640 6.901,641 7.753,642 8.627,643 9.484,644 10.359,645 11.219,646 12.094,647 13.1,650 1,651 5.081}
{0 CHEMBL572881,1 1.481,2 11.607,3 2.721,4 7.405,5 112.492,6 7.324,7 0.581,8 4.026,9 4.158,10 3.583,11 3.584,12 5.127,13 3.56,14 4.543,15 4.722,16 3.947,17 3.989,18 5.597,19 3.943,20 4.804,21 5.002,22 3.986,23 4.133,24 5.824,25 4.048,26 4.944,27 5.207,28 3.872,29 4.072,30 5.953,31 3.953,32 4.791,33 5.051,34 3.727,35 3.926,36 5.79,37 3.819,38 4.617,39 4.86,40 3.735,41 3.836,42 5.672,43 3.762,44 4.517,45 4.719,46 3.767,47 3.836,48 5.639,49 3.782,50 4.591,51 4.81,52 3.688,53 3.821,54 5.705,55 3.736,56 0.04,57 0.782,58 10.48,59 4.319,60 8.837,61 5.92,62 0.184,63 1.248,64 19.045,65 7.308,66 22.805,67 10.274,68 0.136,69 1.538,70 25.469,71 9.702,72 26.884,73 13.703,74 0.465,75 1.622,76 32.551,77 10.79,78 57.557,79 15.809,80 0.314,81 1.36,82 28.07,83 9.36,84 48.465,85 13.434,86 0.287,87 1.179,88 23.119,89 7.743,90 40.926,91 11.076,92 0.197,93 1.146,94 19.533,95 6.735,96 31.198,97 9.43,98 0.234,99 1.158,100 21.817,101 7.857,102 41.779,103 10.85,104 10,105 44,106 0.247,107 0.6,108 0.767,109 0.84,110 0.849,111 0.849,112 3.374,113 0.9,114 -4.02,115 -3.97,116 -3.76,118 43.1,119 2,122 1,124 2,137 7,138 3,139 2,140 3,142 1,150 1,162 9,165 5,167 2,169 8,170 9,174 3,178 8,180 5,183 1,184 4,186 2,187 2,188 4,190 7,194 3,196 1,198 1,201 6,204 4,206 1,208 6,210 7,212 1,213 5,218 4,220 5,223 4,225 1,226 1,227 2,229 6,231 1,232 2,234 1,236 1,238 8,241 1276,242 18.886,243 18.886,244 18.886,245 18.886,246 18.886,247 16.606,248 27.538,249 11.14,250 19.161,251 15.315,252 15.315,253 15.315,254 15.315,255 15.315,256 11.861,257 44.521,258 5.303,259 15.732,260 4.191,261 2.071,262 1.072,263 0.633,264 0.579,265 0.579,266 4.071,269 1,270 1,271 711,272 3.464,274 67.027,275 258.362,278 115.361,282 1.893,283 21.663,285 1,286 1,287 1,288 1,289 0.8,290 0.5,291 1,292 1,293 0.9,294 59.5,295 325,296 4.62,297 3.691,298 7.414,299 4.461,300 3.468,301 4.097,302 1.058,303 12.923,304 3.444,305 4.343,306 3.599,307 6.456,308 3.983,309 3,310 3.938,311 0.657,312 9.967,313 2.948,314 3.903,315 2.84,316 5.753,317 3.555,318 2.581,319 3.442,320 0.4,321 7.943,322 2.516,323 3.866,324 2.65,325 5.364,326 3.49,327 2.501,328 3.207,330 6.992,331 2.472,332 3.436,333 2.551,334 5.273,335 3.086,336 2.119,337 2.651,339 6.511,340 2.039,341 3.176,342 2.121,343 4.891,344 2.802,345 1.829,346 2.356,348 5.299,349 1.772,350 2.975,351 1.707,352 4.478,353 2.52,354 1.563,355 2.157,357 3.961,358 1.495,359 2.861,360 1.594,361 3.899,362 2.418,363 1.441,364 2.017,366 3.345,367 1.405,368 2.796,369 1.483,370 3.625,371 2.367,372 1.414,373 1.899,375 3.056,376 1.343,377 2.538,378 1.312,379 3.572,380 2.003,381 1.021,382 1.5,384 2.548,385 0.995,386 2.5,387 1,388 3.417,389 1.984,390 1,391 1.492,392 2.136,393 0.983,394 1.885,395 0.886,396 3.247,397 1.658,398 0.703,399 0.809,400 1.687,401 0.67,402 1.849,403 0.805,404 3.076,405 1.554,406 0.618,407 0.736,408 1.424,409 0.577,410 1.242,411 0.515,412 2.836,413 0.914,414 -0.066,415 -0.081,416 -0.176,417 -0.064,418 1.019,419 -0.033,420 2.601,421 0.638,422 -0.337,423 -0.424,424 -0.809,425 -0.327,426 13.333,427 0.476,428 0.731,429 0.026,430 39.25,431 1.402,432 21,433 0.75,434 18.25,435 0.652,436 21.429,437 0.765,438 29.267,439 0.574,440 28.421,441 1.015,442 7.608,443 0.272,444 5.919,445 0.211,446 0.1,447 0.038,448 0.263,452 0.851,453 1.272,454 0.813,455 1.011,456 0.646,457 0.917,458 0.772,459 1.068,460 0.839,461 0.937,462 0.592,463 0.896,464 0.956,465 1.36,466 1.083,467 1.279,468 0.876,469 1.21,470 0.96,471 0.914,472 1.017,473 0.985,474 0.922,475 1.001,476 1.313,477 0.914,478 0.994,479 0.919,480 1.495,481 0.922,482 1.279,483 0.903,484 0.859,485 0.788,486 1.47,487 0.78,488 1.338,489 1.044,490 1.029,491 0.992,492 1.323,493 0.969,494 1.328,495 1.077,496 1.05,497 1.104,498 1.683,499 1.067,500 6,501 0.119,502 3.556,503 2.264,504 1.062,505 0.934,506 0.409,507 0.395,508 0.302,509 0.217,510 10560,511 24984,512 2.106,513 45.1,514 6,515 11,517 3,518 3,523 1.709,524 1.988,525 3.504,526 0.882,527 1,528 1,531 75.535,532 1.481,533 3.602,534 4.6,535 5.04,536 5.094,537 5.094,538 2.968,539 4.45,540 4.779,541 3.68,542 1391.12,543 8.303,544 18665.1,546 1,548 1,549 289.294,550 1.454,551 4.74,552 0.194,553 0.006,554 0.081,555 0.053,556 0.029,557 0.029,558 0.012,559 0.011,560 0.01,561 0.009,562 0.433,563 0.33,564 1,565 0.517,566 141.664,567 -0.068,568 -0.095,569 0.042,570 0.008,571 -0.06,572 0.035,573 0.08,574 0.044,575 0.066,576 0.06,577 0.081,578 0.062,579 -0.069,580 -0.317,581 -0.158,582 -0.282,583 -0.038,584 -0.24,585 0.141,586 0.055,587 -0.004,588 -0.034,589 0.123,590 -0.035,591 -0.083,592 0.026,593 0.028,594 0.046,595 -0.089,596 0.051,597 -0.018,598 0.067,599 0.152,600 0.182,601 -0.012,602 0.187,603 -0.122,604 0.028,605 -0.067,606 -0.031,607 -0.076,608 -0.035,609 -0.028,610 -0.099,611 -0.062,612 -0.12,613 -0.054,614 -0.103,615 1.859,616 5.852,617 0.75,618 26.827,619 0.996,620 1.126,621 2.789,622 7.781,623 0.673,624 3.466,625 3.807,626 4.06,627 4.304,628 4.466,629 4.477,630 4.605,631 4.71,632 4.754,633 4.787,634 6.9,635 0.638,636 373.5,637 3.466,638 5.017,639 5.866,640 6.751,641 7.615,642 8.505,643 9.376,644 10.268,645 11.143,646 12.038,647 9.8,651 5}
{0 CHEMBL573339,1 1.643,2 8.038,3 2.634,4 6.936,5 93.122,6 8.295,7 0.7,8 3.901,9 3.993,10 3.57,11 3.427,12 5.053,13 3.451,14 4.429,15 4.567,16 3.953,17 3.814,18 5.57,19 3.831,20 4.632,21 4.81,22 4.004,23 3.906,24 5.74,25 3.897,26 4.601,27 4.8,28 3.93,29 3.856,30 5.661,31 3.843,32 4.552,33 4.727,34 3.948,35 3.85,36 5.691,37 3.845,38 4.563,39 4.716,40 3.948,41 3.915,42 5.647,43 3.901,44 4.608,45 4.774,46 3.86,47 3.933,48 5.677,49 3.88,50 4.659,51 4.872,52 3.658,53 3.843,54 5.7,55 3.738,56 0.093,57 0.64,58 7.051,59 3.599,60 8.919,61 4.003,62 0.347,63 1.055,64 14.419,65 5.833,66 21.708,67 6.641,68 0.537,69 1.241,70 20.054,71 7.233,72 35.14,73 8.985,74 0.401,75 1.234,76 19.844,77 6.951,78 33.285,79 8.821,80 0.525,81 1.162,82 18.373,83 6.593,84 41.881,85 7.998,86 0.434,87 1.193,88 16.823,89 6.549,90 25.389,91 7.574,92 0.383,93 1.212,94 17.722,95 7.482,96 25.34,97 8.996,98 0.443,99 1.167,100 21.923,101 8.885,102 39.839,103 11.593,104 2,105 43,106 0.282,107 0.649,108 0.781,109 0.845,110 0.845,111 0.845,112 3.306,113 0.847,114 -3.61,115 -3.59,116 -3.42,118 45.2,124 4,137 6,138 2,139 1,140 1,141 1,142 1,144 1,147 1,153 1,162 6,164 3,165 6,169 2,170 5,173 4,174 7,178 2,180 2,183 2,184 7,188 1,190 1,193 3,194 7,196 2,201 3,203 1,204 6,210 4,212 1,213 6,216 1,218 1,220 4,222 1,223 5,225 1,227 1,229 2,232 3,234 1,236 1,238 1,241 888,242 18.154,243 18.154,244 18.154,245 18.154,246 18.154,247 15.811,248 12.611,249 10.787,250 18.623,251 14.885,252 14.885,253 14.885,254 14.885,255 14.885,256 11.295,257 16.024,258 5.188,259 15.653,260 3.749,261 1.617,262 0.845,263 0.476,264 0.476,265 0.476,266 4.024,268 1,269 1,270 1,271 471,272 2.121,274 37.097,275 226.299,278 148.493,282 1.047,283 26.381,285 1,286 1,287 1,288 1,289 0.8,290 0.5,291 1,292 1,293 0.9,294 57,295 209,296 4.779,297 3.38,298 6.937,299 4.289,300 3.319,301 4.866,302 0.86,303 11.762,304 3.224,305 4.245,306 2.973,307 6.306,308 3.825,309 2.855,310 3.917,311 0.8,312 9.524,313 2.772,314 4.042,315 2.874,316 6.123,317 3.688,318 2.742,319 3.615,321 8.995,322 2.588,323 3.625,324 2.476,325 5.454,326 3.215,327 2.274,328 3.018,330 6.72,331 2.133,332 3.454,333 2.321,334 5.054,335 3.044,336 2.088,337 2.819,339 6.043,340 1.989,341 3.187,342 2.042,343 4.929,344 2.762,345 1.82,346 2.402,348 5.376,349 1.716,350 2.947,351 1.735,352 4.335,353 2.505,354 1.552,355 2.101,357 4.001,358 1.474,359 2.842,360 1.504,361 4.161,362 2.343,363 1.387,364 1.998,366 3.558,367 1.325,368 2.648,369 1.389,370 3.613,371 2.246,372 1.31,373 1.697,375 2.914,376 1.214,377 2.588,378 1.256,379 3.559,380 2.081,381 1.098,382 1.631,384 2.567,385 1.077,386 2.28,387 1.114,388 3.475,389 1.952,390 1,391 1.243,392 2.531,393 0.946,394 2,395 1.083,396 3.267,397 1.91,398 1,399 1,400 2.136,401 0.905,402 1.891,403 0.508,404 3.247,405 1.417,406 0.463,407 0.653,408 1.239,409 0.441,410 1.063,411 -0.057,412 2.736,413 0.606,414 -0.341,415 -0.451,416 -0.846,417 -0.32,418 0.928,419 -0.263,420 2.639,421 0.516,422 -0.41,423 -0.511,424 -1.005,425 -0.375,426 12.1,427 0.465,428 0.551,429 0.021,430 37.5,431 1.442,432 19,433 0.731,434 18.5,435 0.712,436 18.299,437 0.704,438 26.9,439 0.64,440 26.764,441 1.029,442 7.429,443 0.286,444 5.364,445 0.206,446 0.028,448 0.364,452 0.922,453 1.35,454 0.676,455 1.072,456 0.905,457 0.87,458 1.093,459 1.048,460 0.844,461 0.911,462 0.749,463 0.837,464 0.976,465 1.101,466 0.887,467 0.911,468 0.902,469 0.887,470 0.969,471 1.061,472 0.88,473 0.907,474 0.895,475 0.865,476 1.024,477 0.911,478 0.9,479 0.803,480 0.84,481 0.818,482 1.093,483 1.093,484 1.101,485 1.006,486 0.857,487 1.026,488 0.915,489 1.086,490 1.219,491 1.237,492 0.897,493 1.274,494 0.695,495 1.052,496 1.128,497 1.309,498 0.846,499 1.315,500 4,501 0.025,502 2.667,503 1.701,504 1.275,505 1.146,506 0.554,507 0.259,508 0.228,509 0.089,510 7600,511 20994,512 2.241,513 38.1,515 14,517 1,518 1,523 1.7,524 2.167,525 3.032,526 -0.294,527 1,528 1,529 1,531 69.012,532 1.643,533 3.775,534 4.547,535 4.916,536 4.916,537 4.916,538 2.286,539 4.393,540 4.672,541 3.169,542 1029.87,543 8.147,544 12408.6,545 1,546 1,548 1,549 226.477,550 1.142,551 4.66,552 0.133,553 0.006,554 0.062,555 0.039,556 0.031,557 0.027,558 0.013,559 0.007,560 0.008,561 0.006,562 0.333,563 0.5,564 0.88,565 0.362,566 123.326,567 -0.092,568 -0.256,569 0.06,570 -0.095,571 -0.107,572 -0.008,573 -0.074,574 0.035,575 0.009,576 0.029,577 0.006,578 0.033,579 0.036,580 -0.071,581 0.055,582 0.036,583 0.017,584 0.04,585 -0.081,586 -0.012,587 0.072,588 0.029,589 -0.044,590 0.077,591 0.008,592 0.144,593 0.031,594 0.134,595 0.059,596 0.091,597 -0.143,598 -0.013,599 -0.239,600 -0.069,601 -0.128,602 -0.143,603 -0.079,604 -0.052,605 -0.349,606 -0.269,607 -0.127,608 -0.342,609 0.116,610 -0.146,611 -0.138,612 -0.288,613 0.081,614 -0.268,615 1.488,616 3.826,617 0.962,618 19.935,619 1.016,620 1.122,621 2.385,622 5.688,623 0.689,624 3.434,625 3.784,626 4.127,627 4.477,628 4.796,629 4.956,630 5.215,631 5.425,632 5.525,633 5.624,634 5.249,635 0.676,636 348.39,637 3.434,638 4.99,639 5.872,640 6.777,641 7.681,642 8.597,643 9.513,644 10.436,645 11.359,646 12.285,647 9.5,651 5}
{0 CHEMBL574738,1 1.737,2 17.421,3 4.513,4 20.37,5 141.564,6 7.789,7 0.439,8 4.326,9 4.457,10 3.911,11 3.768,12 5.463,13 3.782,14 4.887,15 5.079,16 4.318,17 4.137,18 6.358,19 4.135,20 5.094,21 5.307,22 4.297,23 4.305,24 6.174,25 4.264,26 5.208,27 5.442,28 4.301,29 4.321,30 6.33,31 4.256,32 5.246,33 5.511,34 4.289,35 4.258,36 6.458,37 4.203,38 5.069,39 5.294,40 4.205,41 4.184,42 6.242,43 4.15,44 5.071,45 5.299,46 4.255,47 4.121,48 6.562,49 4.093,50 4.978,51 5.224,52 4.019,53 4.011,54 6.218,55 3.971,56 0.176,57 1.234,58 13.199,59 5.62,60 23.129,61 7.372,62 1.167,63 2.182,64 28.269,65 9.026,66 151.997,67 12.315,68 0.725,69 2.117,70 35.087,71 11.784,72 62.487,73 16.266,74 0.866,75 2.327,76 41.627,77 14.262,78 92.131,79 19.458,80 1.48,81 2.318,82 47.733,83 13.322,84 145.555,85 18.829,86 0.918,87 2.16,88 36.82,89 11.876,90 115.325,91 15.218,92 1.561,93 2.233,94 38.593,95 11.753,96 231.729,97 14.917,98 1.258,99 1.928,100 36.067,101 10.065,102 132.792,103 12.838,104 46,105 57,106 0.274,107 0.592,108 0.742,109 0.819,110 0.848,111 0.853,112 3.667,113 0.895,114 -4.94,115 -4.85,116 -4.54,118 38.2,119 1,123 1,124 6,130 1,137 8,138 2,139 3,142 2,143 1,151 1,162 6,164 2,165 7,167 3,168 1,169 5,170 6,173 1,174 4,178 4,180 4,183 1,184 8,186 2,188 5,190 2,194 8,196 1,198 4,201 2,204 5,206 1,208 3,210 4,212 1,213 4,216 2,218 3,220 9,222 1,225 1,229 8,231 1,232 3,234 3,235 1,236 1,238 4,241 3096,242 25.347,243 25.347,244 25.347,245 25.347,246 25.347,247 23.06,248 41.64,249 14.877,250 26.304,251 20.159,252 20.159,253 20.159,254 20.159,255 20.159,256 16.613,257 62.867,258 7,259 21.699,260 4.35,261 2.334,262 1.386,263 0.897,264 0.71,265 0.68,266 4.36,270 1,271 1412,272 4.416,275 608.584,282 2.729,283 56.162,286 0.75,287 0.67,288 0.83,289 0.9,290 1,291 0.83,292 1,293 0.85,294 86,295 662,296 4.561,297 4.472,298 7.254,299 4.275,300 3.388,301 4.067,302 3.825,303 12.281,304 3.062,305 4.14,306 3.562,307 5.74,308 3.721,309 2.784,310 3.737,311 1.656,312 8.044,313 2.623,314 4.012,315 3.092,316 5.697,317 3.617,318 2.697,319 3.587,320 0.916,321 7.964,322 2.491,323 3.865,324 3.075,325 5.562,326 3.594,327 2.659,328 3.156,329 0.86,330 7.619,331 2.442,332 3.715,333 2.809,334 5.437,335 3.474,336 2.53,337 2.903,338 0.8,339 7.218,340 2.372,341 3.6,342 2.672,343 5.335,344 3.299,345 2.367,346 2.773,347 0.4,348 6.87,349 2.162,350 3.454,351 2.53,352 5.2,353 3.165,354 2.232,355 2.597,356 0.247,357 6.562,358 2.078,359 3.305,360 2.43,361 5.027,362 2.952,363 2.02,364 2.506,365 0.172,366 5.933,367 1.869,368 3.169,369 2.206,370 4.816,371 2.819,372 1.887,373 2.354,375 5.429,376 1.747,377 3.034,378 2.06,379 4.577,380 2.689,381 1.709,382 2.069,384 4.788,385 1.655,386 2.675,387 1.38,388 4.103,389 2.124,390 1.211,391 1.754,392 3.204,393 1.103,394 2.582,395 1.281,396 3.497,397 2.118,398 1.156,399 1.615,400 2.634,401 1.094,402 2.5,403 1.146,404 3.414,405 2,406 1,407 1.5,408 2.275,409 1,410 2,411 1,412 3.414,413 1.967,414 1,415 1,416 2.275,417 0.965,418 1.682,419 0.859,420 3.166,421 1.591,422 0.624,423 0.643,424 1.238,425 0.601,426 17.324,427 0.456,428 1.03,429 0.027,430 47.5,431 1.25,432 21.5,433 0.566,434 26,435 0.684,436 34.09,437 0.897,438 43.276,439 0.636,440 42.485,441 1.118,442 9.766,443 0.257,444 8.462,445 0.223,446 0.126,447 0.029,448 0.277,450 3,452 0.688,453 1.291,454 0.725,455 1.233,456 0.58,457 1.035,458 0.575,459 0.807,460 0.789,461 0.917,462 0.354,463 0.904,464 0.818,465 0.936,466 0.947,467 1.056,468 0.582,469 1.037,470 0.811,471 1.118,472 0.907,473 1.206,474 0.771,475 1.123,476 1.006,477 0.839,478 0.9,479 0.82,480 1.163,481 0.83,482 1.22,483 1.147,484 1.04,485 1.036,486 1.267,487 0.997,488 1.171,489 1.257,490 1.047,491 1.061,492 1.38,493 1.032,494 1.496,495 1.056,496 1.243,497 0.869,498 1.716,499 0.951,500 10,501 0.223,502 3.333,503 2.563,504 2.258,505 1.354,506 1.153,507 0.5,508 0.608,509 0.365,510 25853,511 77109,512 2.031,513 44.1,515 23,517 1,518 3,520 3,523 1.783,524 1.892,525 4.02,526 0.843,531 118.123,532 1.737,533 3.754,534 4.702,535 5.19,536 5.378,537 5.407,538 3.527,539 4.774,540 5.215,541 4.231,542 2974.12,543 9.16,544 53167,549 413.947,550 1.538,551 5.168,552 0.244,553 0.006,554 0.058,555 0.045,556 0.042,557 0.026,558 0.023,559 0.01,560 0.015,561 0.009,562 0.478,563 0.17,564 0.88,565 0.848,566 216.585,567 -0.064,568 -0.229,569 0.039,570 -0.12,571 -0.075,572 -0.03,573 0.32,574 0.252,575 0.111,576 0.081,577 0.427,578 0.047,579 -0.095,580 -0.071,581 -0.059,582 -0.052,583 0.003,584 -0.04,585 0.013,586 -0.206,587 0.036,588 -0.179,589 0.025,590 -0.093,591 0.051,592 0.131,593 0.135,594 0.146,595 -0.023,596 0.16,597 -0.161,598 -0.104,599 -0.058,600 -0.018,601 -0.154,602 -0.007,603 0.178,604 0.014,605 0.006,606 -0.032,607 0.156,608 -0.061,609 -0.161,610 0.177,611 -0.18,612 0.115,613 -0.251,614 -0.002,615 5.789,616 5.842,617 0.632,618 55.679,619 1.02,620 1.152,621 3.712,622 13.776,623 0.642,624 3.738,625 4.06,626 4.248,627 4.477,628 4.7,629 4.71,630 4.844,631 4.883,632 5.017,633 5.063,634 9.769,635 0.626,636 529.63,637 3.738,638 5.283,639 6.107,640 6.978,641 7.818,642 8.69,643 9.538,644 10.41,645 11.263,646 12.135,647 10.3,650 2,651 5.339}
{0 CHEMBL576982,1 1.664,2 19.05,3 5.719,4 32.712,5 154.689,6 7.788,7 0.556,8 4.397,9 4.508,10 4.039,11 3.919,12 5.471,13 3.899,14 4.952,15 5.118,16 4.449,17 4.327,18 5.997,19 4.293,20 5.17,21 5.359,22 4.416,23 4.461,24 6.168,25 4.373,26 5.269,27 5.512,28 4.326,29 4.417,30 6.213,31 4.304,32 5.153,33 5.405,34 4.221,35 4.254,36 6.148,37 4.156,38 4.877,39 5.083,40 4.138,41 4.153,42 5.874,43 4.067,44 4.826,45 5.007,46 4.166,47 4.191,48 5.877,49 4.113,50 4.957,51 5.158,52 4.128,53 4.199,54 6.038,55 4.11,56 0.11,57 1.104,58 14.964,59 6.645,60 11.579,61 8.276,62 0.499,63 1.806,64 31.117,65 11.057,66 39.025,67 14.213,68 0.656,69 2.107,70 40.132,71 14.426,72 49.537,73 18.301,74 0.67,75 2.156,76 49.446,77 16.656,78 67.629,79 22.163,80 0.825,81 1.921,82 44.02,83 13.339,84 75.5,85 18.092,86 0.662,87 1.571,88 34.515,89 10.925,90 47.153,91 13.458,92 0.249,93 1.576,94 29.949,95 10.999,96 27.839,97 13.99,98 0.594,99 1.672,100 32.686,101 11.102,102 71.058,103 14.352,104 18,105 65,106 0.256,107 0.601,108 0.733,109 0.798,110 0.81,111 0.81,112 3.717,113 0.942,114 -4.43,115 -4.36,116 -4.11,118 40.3,119 3,122 1,124 6,137 8,138 1,139 2,141 1,142 1,146 1,147 3,151 1,154 1,158 1,162 8,164 1,165 9,167 3,168 1,169 3,170 10,173 2,174 10,176 1,178 2,180 7,183 1,184 13,186 1,188 5,190 2,193 2,194 7,196 1,198 5,201 3,203 2,204 5,206 1,208 2,210 8,213 8,216 1,218 3,220 8,222 2,223 6,225 1,227 1,229 7,231 2,232 4,234 1,236 1,238 8,241 3720,242 26.969,243 26.969,244 26.969,245 26.969,246 26.969,247 24.093,248 30.283,249 15.772,250 27.843,251 22.304,252 22.304,253 22.304,254 22.304,255 22.304,256 17.757,257 41.564,258 7.614,259 23.738,260 4.505,261 2.264,262 1.404,263 0.983,264 0.907,265 0.907,266 4.43,270 1,271 1683,272 4.416,274 309.188,275 406.175,277 144.755,278 168.529,281 227.117,282 3.503,283 31.443,286 0.75,287 0.5,288 0.83,289 0.7,290 0.5,291 0.83,292 1,293 0.73,294 87,295 762,296 4.749,297 3.582,298 7.118,299 4.326,300 3.327,301 4.85,302 1.656,303 11.699,304 3.322,305 4.471,306 3.527,307 6.794,308 4.178,309 3.265,310 3.918,311 0.86,312 11.258,313 2.995,314 4.222,315 3.275,316 6.148,317 3.81,318 2.834,319 3.89,320 0.86,321 9.096,322 2.756,323 3.969,324 2.94,325 5.635,326 3.606,327 2.65,328 3.538,329 0.8,330 7.717,331 2.525,332 3.848,333 2.857,334 5.572,335 3.461,336 2.539,337 3.148,338 0.247,339 7.48,340 2.355,341 3.689,342 2.721,343 5.355,344 3.411,345 2.473,346 3.027,348 7.011,349 2.3,350 3.521,351 2.523,352 5.341,353 3.299,354 2.351,355 2.746,357 6.955,358 2.213,359 3.427,360 2.413,361 5.195,362 2.983,363 2.019,364 2.591,366 6.228,367 1.946,368 3.294,369 2.175,370 4.842,371 2.827,372 1.873,373 2.524,375 5.276,376 1.758,377 3.217,378 2.037,379 4.749,380 2.601,381 1.725,382 2.495,384 5.234,385 1.492,386 2.718,387 1.73,388 4.349,389 2.426,390 1.545,391 1.812,392 3.93,393 1.354,394 2.653,395 1.492,396 4.226,397 2.307,398 1.332,399 1.688,400 3.584,401 1.294,402 2.574,403 1.484,404 3.804,405 2.173,406 1.213,407 1.578,408 3.233,409 1.153,410 2.5,411 1.275,412 3.679,413 2.006,414 1.104,415 1.5,416 2.675,417 1,418 2.459,419 1.256,420 3.414,421 2,422 1,423 1.443,424 2.275,425 0.986,426 19.067,427 0.477,428 1.116,429 0.028,430 50.5,431 1.263,432 23,433 0.575,434 27.5,435 0.688,436 38.334,437 0.958,438 43.333,439 0.602,440 39.589,441 0.99,442 9.588,443 0.24,444 9.726,445 0.243,446 0.096,447 0.026,448 0.304,452 0.806,453 1.367,454 0.737,455 1.062,456 0.66,457 0.958,458 1.001,459 1.047,460 0.791,461 0.894,462 0.622,463 0.833,464 1.149,465 1.072,466 1.084,467 1.029,468 1.02,469 1.085,470 0.946,471 1.021,472 0.905,473 0.984,474 0.779,475 0.957,476 1.099,477 0.891,478 0.906,479 0.791,480 1.267,481 0.83,482 1.21,483 0.838,484 1.238,485 0.914,486 1.152,487 0.855,488 0.784,489 1.243,490 1.132,491 1.276,492 0.89,493 1.1,494 1.278,495 0.95,496 1.081,497 0.96,498 2.085,499 1.072,500 9.5,501 0.176,502 4,503 2.736,504 1.772,505 1.424,506 0.749,507 0.483,508 0.428,509 0.45,510 34297,511 86492,512 2.144,513 44.4,514 9,515 20,516 1,518 2,523 1.791,524 2.025,525 4.161,526 0.174,531 119.843,532 1.664,533 3.906,534 4.766,535 5.187,536 5.263,537 5.263,538 3.659,539 5.003,540 5.285,541 4.401,542 3433.1,543 9.282,544 65900.8,549 444.235,550 1.445,551 5.258,552 0.211,553 0.004,554 0.062,555 0.046,556 0.033,557 0.03,558 0.016,559 0.01,560 0.01,561 0.011,562 0.432,563 0.17,564 0.75,565 0.598,566 233.874,567 0.022,568 -0.182,569 0.083,570 -0.046,571 -0.025,572 -0.004,573 0.036,574 0.06,575 0.143,576 0.099,577 0.132,578 0.114,579 -0.105,580 -0.022,581 -0.127,582 -0.035,583 -0.102,584 -0.122,585 0.003,586 -0.087,587 0.089,588 0.004,589 0.11,590 0.051,592 0.073,593 0.1,594 0.142,595 0.015,596 0.134,597 -0.087,598 0.231,599 -0.075,600 0.169,601 -0.087,602 0.114,603 -0.023,604 -0.151,605 -0.085,606 -0.171,607 0.064,608 -0.092,609 -0.169,610 0.083,611 -0.152,612 -0.012,613 -0.265,614 -0.125,615 2.056,616 5.424,617 0.725,618 71.7,619 1.007,620 1.127,621 3.203,622 10.256,623 0.672,624 3.829,625 4.19,626 4.443,627 4.727,628 4.934,629 5.088,630 5.273,631 5.421,632 5.576,633 5.753,634 10.929,635 0.639,636 560.74,637 3.829,638 5.398,639 6.252,640 7.144,641 8.016,642 8.913,643 9.795,644 10.695,645 11.585,646 12.49,647 8.3,650 1,651 5}
{0 CHEMBL601719,1 1.778,2 11.767,3 3.694,4 13.646,5 118.112,6 8.661,7 0.515,8 4.068,9 4.188,10 3.755,11 3.612,12 5.194,13 3.597,14 4.613,15 4.779,16 4.164,17 4.02,18 5.709,19 3.988,20 4.9,21 5.103,22 4.332,23 4.171,24 6.028,25 4.108,26 4.921,27 5.125,28 4.366,29 4.168,30 6.033,31 4.081,32 4.893,33 5.122,34 4.105,35 4.074,36 6.038,37 3.981,38 4.725,39 4.942,40 4.013,41 3.993,42 5.803,43 3.908,44 4.692,45 4.901,46 4.129,47 3.992,48 5.855,49 3.904,50 4.731,51 4.963,52 3.976,53 3.926,54 5.886,55 3.828,56 0.124,57 0.843,58 8.72,59 4.5,60 12.631,61 5.562,62 0.295,63 1.327,64 18.794,65 7.839,66 27.206,67 9.848,68 0.724,69 1.546,70 32.857,71 10.809,72 68.014,73 13.474,74 0.761,75 1.529,76 41.123,77 11.496,78 68.091,79 14.309,80 0.89,81 1.468,82 39.648,83 11.066,84 85.139,85 14.164,86 0.537,87 1.357,88 25.281,89 9.144,90 52.019,91 11.785,92 0.463,93 1.286,94 27.552,95 9.058,96 51.292,97 12.149,98 0.596,99 1.34,100 30.777,101 9.101,102 68.553,103 11.935,104 26,105 47,106 0.297,107 0.679,108 0.838,109 0.866,110 0.866,111 0.866,112 3.44,113 0.955,114 -4.9,115 -4.8,116 -4.51,118 40.4,119 1,120 2,124 2,126 2,137 3,138 3,139 4,140 2,142 1,146 1,155 1,156 1,157 1,158 1,162 3,165 8,166 1,167 1,169 2,170 7,173 1,174 7,175 1,176 1,178 1,180 3,182 1,184 6,186 1,188 1,190 9,191 1,193 2,194 3,196 1,198 3,201 5,202 3,203 2,208 1,210 7,213 5,215 2,216 2,218 4,220 4,221 3,223 7,227 2,229 4,230 1,234 1,236 2,238 1,240 2,241 1486,242 20.068,243 20.068,244 20.068,245 20.068,246 20.068,247 17.901,248 23.489,249 11.629,250 20.687,251 16.228,252 16.228,253 16.228,254 16.228,255 16.228,256 13.008,257 28.517,258 5.49,259 17.389,260 3.922,261 1.637,262 0.683,263 0.515,264 0.515,265 0.515,266 4.132,267 2,269 1,270 1,271 762,272 3,274 82.892,275 310.356,282 1.916,283 36.219,286 1,287 0.83,288 1,289 0.8,290 0.5,291 1,292 1,293 0.88,294 65.667,295 353,296 4.492,297 3.623,298 6.78,299 4.095,300 3.167,301 4.165,302 1.151,303 10.939,304 2.952,305 4.382,306 3.179,307 6.323,308 3.994,309 3.027,310 4.065,311 0.4,312 9.687,313 2.88,314 4.13,315 3.043,316 6.112,317 3.767,318 2.822,319 3.69,321 8.943,322 2.668,323 3.736,324 2.892,325 5.875,326 3.479,327 2.518,328 3.005,330 8.103,331 2.407,332 3.581,333 2.654,334 5.572,335 3.2,336 2.29,337 2.894,339 6.876,340 2.059,341 3.222,342 2.472,343 4.891,344 2.845,345 1.948,346 2.416,348 5.281,349 1.798,350 3.117,351 2.103,352 4.634,353 2.796,354 1.869,355 2.251,357 4.921,358 1.589,359 2.889,360 2.021,361 4.349,362 2.425,363 1.518,364 2.029,366 4.026,367 1.354,368 2.657,369 1.627,370 4.116,371 2.364,372 1.414,373 1.69,375 3.494,376 1.34,377 2.538,378 1.564,379 4.032,380 2.151,381 1.24,382 1.546,384 3.212,385 1.09,386 2.225,387 1.077,388 3.466,389 1.984,390 1,391 1.145,392 2.429,393 0.983,394 2.076,395 1,396 3.263,397 1.902,398 0.934,399 1,400 2.136,401 0.902,402 2,403 0.881,404 3.247,405 1.598,406 0.666,407 0.949,408 1.634,409 0.619,410 1.459,411 0.775,412 3.046,413 1.08,414 0.219,415 0.257,416 0.504,417 0.165,418 1.427,419 0.676,420 2.718,421 0.986,422 0.188,423 0.224,424 0.427,425 0.141,426 14.548,427 0.485,428 0.822,429 0.027,430 36.75,431 1.225,432 17,433 0.567,434 19.75,435 0.658,436 28.716,437 0.957,438 32.852,439 0.632,440 28.006,441 0.934,442 7.035,443 0.234,444 7.401,445 0.247,446 0.18,448 0.371,451 1,452 0.701,453 1.135,454 0.571,455 0.917,456 0.649,457 0.868,458 0.853,459 1.106,460 0.64,461 0.903,462 0.585,463 0.877,464 1.005,465 0.976,466 0.807,467 0.867,468 0.766,469 0.881,470 0.945,471 0.998,472 0.985,473 1.072,474 0.813,475 1.043,476 0.921,477 0.856,478 1.083,479 1.014,480 0.836,481 1.005,482 0.936,483 1.017,484 0.727,485 0.859,486 1.02,487 0.946,488 0.555,489 1.045,490 0.845,491 1.106,492 0.625,493 1.05,494 0.977,495 0.996,496 1.025,497 1.007,498 0.917,499 1.025,500 6,501 0.18,502 4.222,503 2.25,504 1.829,505 1.039,506 0.652,507 0.438,508 0.396,509 0.221,510 12062,511 37175,512 2.067,513 42.3,515 9,516 1,517 2,518 3,520 3,521 4,523 1.728,524 1.915,525 3.52,526 0.933,528 1,531 92.467,532 1.778,533 4.063,534 5.018,535 5.186,536 5.186,537 5.186,538 2.94,539 4.707,540 4.88,541 3.698,542 1608.53,543 8.51,544 22407.8,546 1,549 296.423,550 1.475,551 4.828,552 0.182,553 0.007,554 0.09,555 0.046,556 0.041,557 0.026,558 0.017,559 0.011,560 0.012,561 0.008,562 0.44,563 0.17,564 1,565 0.594,566 154.477,567 -0.04,568 -0.029,569 0.011,570 0.004,571 -0.063,572 0.028,573 -0.065,574 -0.082,575 0.05,576 0.021,577 0.049,578 0.044,579 0.001,580 -0.002,581 0.076,582 0.088,583 0.091,584 0.07,585 0.03,586 -0.094,587 0.057,588 -0.084,589 -0.004,590 -0.068,591 0.062,592 0.078,593 -0.087,594 -0.045,595 0.073,596 -0.029,597 -0.048,598 -0.008,599 0.019,600 0.079,601 -0.097,602 0.015,603 0.159,604 -0.124,605 0.086,606 -0.128,607 0.121,608 -0.058,609 -0.027,610 -0.018,611 -0.059,612 -0.047,613 0.044,614 -0.054,615 2.225,616 5.882,617 0.767,618 28.804,619 1.016,620 1.136,621 3.666,622 13.438,623 0.688,624 3.526,625 3.871,626 4.159,627 4.394,628 4.575,629 4.615,630 4.71,631 4.804,632 4.927,633 5.011,634 7.009,635 0.656,636 450.38,637 3.526,638 5.081,639 5.943,640 6.825,641 7.7,642 8.585,643 9.465,644 10.35,645 11.232,646 12.119,647 9.6,649 1,651 5}
{0 CHEMBL607707,1 1.741,2 12.182,3 4.455,4 19.85,5 127.416,6 8.357,7 0.486,8 4.115,9 4.23,10 3.765,11 3.654,12 5.338,13 3.648,14 4.613,15 4.785,16 4.116,17 4.002,18 5.798,19 3.984,20 4.834,21 5.005,22 4.271,23 4.151,24 6.105,25 4.119,26 4.919,27 5.142,28 4.193,29 4.161,30 6.08,31 4.103,32 4.857,33 5.044,34 4.198,35 4.183,36 6.093,37 4.131,38 4.91,39 5.104,40 4.252,41 4.211,42 6.133,43 4.168,44 4.947,45 5.136,46 4.283,47 4.194,48 6.265,49 4.149,50 4.882,51 5.08,52 4.226,53 4.09,54 6.218,55 4.042,56 0.095,57 0.876,58 9.303,59 4.733,60 12.354,61 5.74,62 0.345,63 1.33,64 19.526,65 7.606,66 28.764,67 9.51,68 0.587,69 1.591,70 27.41,71 9.828,72 65.215,73 11.813,74 0.637,75 1.647,76 32.014,77 10.947,78 76.635,79 14.371,80 0.634,81 1.574,82 27.665,83 10.338,84 66.36,85 13.351,86 0.483,87 1.668,88 27.734,89 10.532,90 58.974,91 13.507,92 0.7,93 1.663,94 30.368,95 10.426,96 101.477,97 12.75,98 0.67,99 1.574,100 32.228,101 10.268,102 93.011,103 12.735,104 67,105 48,106 0.284,107 0.671,108 0.83,109 0.87,110 0.87,111 0.87,112 3.532,113 0.903,114 -3.5,115 -3.48,116 -3.32,118 42.9,119 1,123 2,124 2,132 2,137 5,138 2,139 6,140 1,141 1,150 2,162 3,165 8,167 1,169 6,170 4,174 4,176 1,178 5,180 4,183 2,184 3,186 2,188 2,190 8,193 2,194 4,196 2,197 1,198 2,201 8,204 8,206 1,210 8,212 1,213 6,216 2,218 3,220 4,222 2,223 7,227 3,229 4,231 1,232 4,236 1,238 2,241 2119,242 21.963,243 21.963,244 21.963,245 21.963,246 21.963,247 19.446,248 30.281,249 13.049,250 22.598,251 17.174,252 17.174,253 17.174,254 17.174,255 17.174,256 13.194,257 40.331,258 6.062,259 18.194,260 4.066,261 1.687,262 0.712,263 0.469,264 0.469,265 0.469,266 4.212,267 1,269 1,270 1,271 829,272 4.301,275 289.302,279 157.841,282 1.785,283 41.916,286 1,287 0.83,288 1,289 0.8,290 0.5,291 1,292 1,293 0.88,294 72.333,295 402,296 4.64,297 4.073,298 6.741,299 4.181,300 3.204,301 4.576,302 2.035,303 11.049,304 3.129,305 4.225,306 3.496,307 6.166,308 3.794,309 2.852,310 3.874,311 1.058,312 9.164,313 2.698,314 4.133,315 3.314,316 5.948,317 3.697,318 2.758,319 3.661,320 0.916,321 8.312,322 2.554,323 3.79,324 3.222,325 5.636,326 3.362,327 2.373,328 3.133,329 0.86,330 7.336,331 2.344,332 3.629,333 2.951,334 5.197,335 3.169,336 2.232,337 2.896,338 0.4,339 6.356,340 2.102,341 3.531,342 2.644,343 5.063,344 3.088,345 2.152,346 2.817,347 0.172,348 6.092,349 1.986,350 3.302,351 2.462,352 4.805,353 3.062,354 2.103,355 2.6,357 5.264,358 1.979,359 3.216,360 2.23,361 4.641,362 2.775,363 1.811,364 2.238,366 5.09,367 1.738,368 3.003,369 2.115,370 4.27,371 2.358,372 1.439,373 1.949,375 3.788,376 1.312,377 2.82,378 2.053,379 4.041,380 2.318,381 1.414,382 1.764,384 3.521,385 1.217,386 2.711,387 1.721,388 3.566,389 2.003,390 1.024,391 1.356,392 2.181,393 0.996,394 2.525,395 1.509,396 3.196,397 1.911,398 0.965,399 1.257,400 1.909,401 0.904,402 2.158,403 1.241,404 3.179,405 1.681,406 0.745,407 1.114,408 1.534,409 0.695,410 1.713,411 0.89,412 2.861,413 1.281,414 0.354,415 0.451,416 0.714,417 0.32,418 1.45,419 0.665,420 2.767,421 1.046,422 0.153,423 0.184,424 0.348,425 0.127,426 15.667,427 0.475,428 0.856,429 0.026,430 44.75,431 1.356,432 23.5,433 0.712,434 21.25,435 0.644,436 27.481,437 0.833,438 35.333,439 0.631,440 38.803,441 1.176,442 9.092,443 0.276,444 6.724,445 0.204,446 0.206,448 0.345,451 1,452 0.707,453 1.222,454 0.629,455 1.027,456 0.541,457 0.918,458 0.892,459 1.007,460 0.686,461 0.817,462 0.547,463 0.778,464 1.062,465 1.168,466 0.918,467 1.046,468 0.849,469 0.996,470 0.816,471 0.834,472 0.77,473 0.847,474 0.789,475 0.843,476 0.668,477 0.758,478 0.846,479 0.943,480 0.803,481 0.952,482 0.873,483 0.988,484 0.739,485 0.938,486 0.873,487 0.925,488 1.191,489 0.946,490 0.965,491 0.905,492 1.352,493 0.966,494 1.144,495 1.097,496 1.061,497 1.052,498 1.132,499 0.999,500 7.5,501 0.272,502 3.778,503 2.063,504 2.342,505 1.236,506 1.011,507 0.785,508 0.587,509 0.318,510 13567,511 45041,512 1.976,513 41.1,515 17,517 1,518 2,520 3,523 1.759,524 1.817,525 3.544,526 0.222,528 1,531 97.521,532 1.741,533 4.12,534 5.095,535 5.338,536 5.338,537 5.338,538 3.052,539 4.923,540 5.008,541 3.722,542 1965.4,543 8.815,544 29265.6,549 325.212,550 1.52,551 4.954,552 0.214,553 0.009,554 0.079,555 0.04,556 0.047,557 0.024,558 0.019,559 0.015,560 0.013,561 0.008,562 0.467,563 0.33,564 0.88,565 1.798,566 174.212,567 -0.056,568 -0.156,569 0.017,570 -0.064,571 -0.033,572 -0.012,573 -0.058,574 -0.003,575 0.097,576 0.129,577 0.047,578 0.15,579 -0.044,580 -0.138,581 -0.014,582 -0.075,583 0.005,584 -0.062,585 0.033,586 0.093,587 0.11,588 0.112,590 0.141,591 0.123,592 0.131,593 -0.014,594 0.018,595 0.005,596 0.009,597 -0.056,598 -0.062,599 0.042,600 0.008,601 -0.04,602 0.03,603 -0.142,604 -0.031,605 -0.055,606 0.029,607 -0.15,608 -0.045,609 -0.031,610 -0.134,611 0.007,612 -0.071,613 0.017,614 -0.041,615 2.212,616 5.576,617 0.485,618 38.123,619 1.015,620 1.131,621 2.274,622 5.171,623 0.685,624 3.584,625 3.892,626 4.127,627 4.382,628 4.673,629 4.812,630 4.963,631 5.136,632 5.242,633 5.231,634 7.18,635 0.661,636 467.97,637 3.584,638 5.118,639 5.953,640 6.828,641 7.692,642 8.577,643 9.456,644 10.348,645 11.236,646 12.132,647 8.9,650 1,651 5.255}
{0 CHEMBL608154,1 1.716,2 8.731,3 2.737,4 7.493,5 98.273,6 8.947,7 0.724,8 3.849,9 3.95,10 3.571,11 3.435,12 5.058,13 3.438,14 4.334,15 4.472,16 3.963,17 3.819,18 5.516,19 3.813,20 4.508,21 4.644,22 4.123,23 3.947,24 5.74,25 3.933,26 4.608,27 4.76,28 4.124,29 3.954,30 5.859,31 3.923,32 4.66,33 4.842,34 4.045,35 3.912,36 5.908,37 3.857,38 4.542,39 4.731,40 4.015,41 3.825,42 5.792,43 3.79,44 4.455,45 4.606,46 3.916,47 3.776,48 5.711,49 3.739,50 4.424,51 4.589,52 3.766,53 3.745,54 5.642,55 3.67,56 0.082,57 0.605,58 5.726,59 3.248,60 6.403,61 3.636,62 0.262,63 0.945,64 12.328,65 5.532,66 21.856,67 6.314,68 0.387,69 1.117,70 16.022,71 6.569,72 29.763,73 7.388,74 0.43,75 1.191,76 17.437,77 7.243,78 35.698,79 8.18,80 0.648,81 1.141,82 26.997,83 8.34,84 64.551,85 9.432,86 0.457,87 1.034,88 23.227,89 7.658,90 51.68,91 8.973,92 0.497,93 0.939,94 18.891,95 6.735,96 47.237,97 7.318,98 0.411,99 0.94,100 16.736,101 6.487,102 39.202,103 7.245,104 18,105 42,106 0.296,107 0.689,108 0.814,109 0.876,110 0.885,111 0.885,112 3.306,113 0.861,114 -2.77,115 -2.78,116 -2.7,118 46.3,119 1,123 1,137 4,138 3,139 3,140 3,141 1,147 2,150 1,162 5,165 5,167 1,169 3,170 5,174 5,176 2,177 1,178 4,180 3,183 1,184 4,186 2,188 5,190 2,193 1,194 4,196 1,198 3,201 2,204 5,206 1,208 1,210 4,212 2,213 5,216 1,218 2,220 6,222 1,223 4,229 7,232 2,238 2,241 1004,242 17.715,243 17.715,244 17.715,245 17.715,246 17.715,247 15.084,248 12.855,249 10.253,250 18.205,251 14.237,252 14.237,253 14.237,254 14.237,255 14.237,256 10.213,257 14.608,258 4.739,259 14.966,260 3.642,261 1.364,262 0.641,263 0.281,264 0.232,265 0.232,266 4.001,267 1,268 1,269 1,270 1,271 496,272 3.082,274 38.409,275 183.441,278 156.923,282 1.157,283 27.105,285 1,286 1,287 1,288 1,289 0.4,291 1,292 1,293 0.77,294 56.333,295 227,296 4.798,297 3.634,298 6.976,299 4.308,300 3.339,301 4.884,302 1.058,303 11.883,304 3.235,305 4.331,306 3.431,307 6.444,308 3.955,309 2.963,310 3.967,311 0.86,312 9.902,313 2.937,314 4.214,315 3.037,316 6.347,317 3.758,318 2.809,319 3.879,321 9.501,322 2.655,323 3.599,324 2.655,325 5.638,326 3.132,327 2.216,328 3.025,330 7.095,331 1.999,332 3.486,333 2.477,334 5.282,335 3.004,336 2.035,337 2.905,339 6.318,340 1.953,341 3.332,342 2.149,343 4.885,344 2.856,345 1.883,346 2.601,348 5.244,349 1.808,350 2.972,351 1.757,352 4.503,353 2.451,354 1.505,355 2.189,357 4.148,358 1.408,359 2.861,360 1.514,361 3.884,362 2.403,363 1.414,364 2.015,366 3.084,367 1.398,368 2.754,369 1.511,370 3.643,371 2.224,372 1.305,373 1.867,375 2.929,376 1.188,377 2.557,378 1.31,379 3.597,380 2.046,381 1.099,382 1.532,384 2.72,385 1.029,386 2.101,387 1.224,388 3.481,389 1.66,390 0.791,391 0.965,392 1.722,393 0.659,394 1.94,395 0.796,396 3.415,397 1.539,398 0.598,399 0.809,400 1.496,401 0.552,402 1.216,403 0.609,404 2.722,405 0.844,406 -0.087,407 -0.104,408 -0.169,409 -0.08,410 1.092,411 0.176,412 2.569,413 0.706,414 -0.288,415 -0.37,416 -0.605,417 -0.226,418 0.965,419 0.042,420 2.438,421 0.502,422 -0.327,423 -0.414,424 -0.753,425 -0.284,426 12.481,427 0.48,428 0.661,429 0.025,430 38,431 1.462,432 20.5,433 0.788,434 17.5,435 0.673,436 19.23,437 0.74,438 26.519,439 0.647,440 28.173,441 1.084,442 7.675,443 0.295,444 4.922,445 0.189,446 0.164,448 0.401,452 0.784,453 1.223,454 0.569,455 0.891,456 0.607,457 0.793,458 0.943,459 1.061,460 0.624,461 0.745,462 0.679,463 0.708,464 0.882,465 1.069,466 0.86,467 0.995,468 0.926,469 0.929,470 1.053,471 1.214,472 0.914,473 1.101,474 1.086,475 1.088,476 1.345,477 0.932,478 1.338,479 1.024,480 1.589,481 1.006,482 1.143,483 0.887,484 0.994,485 0.913,486 1.24,487 0.816,488 1.381,489 0.915,490 1.157,491 1.009,492 1.423,493 1.004,494 1.232,495 1.114,496 1.181,497 1.147,498 1.097,499 1.231,500 4.5,501 0.035,502 3.556,503 2.576,504 1.675,505 1.198,506 0.733,507 0.476,508 0.334,509 0.085,510 7175,511 22170,512 2.101,513 36.6,515 7,517 3,518 2,519 3,523 1.698,524 1.95,525 3.101,526 0.289,527 1,528 1,531 70.346,532 1.716,533 3.994,534 4.717,535 5.077,536 5.126,537 5.126,538 2.459,539 4.47,540 4.674,541 3.241,542 1053.27,543 8.139,544 12656.3,545 1,546 1,548 1,549 219.66,550 1.46,551 4.624,552 0.155,553 0.004,554 0.085,555 0.056,556 0.039,557 0.032,558 0.019,559 0.014,560 0.012,561 0.006,562 0.421,563 0.5,564 1,565 0.777,566 123.913,567 -0.086,568 -0.122,569 0.015,570 -0.022,571 -0.077,572 0.021,573 -0.063,574 -0.006,575 0.092,576 0.161,577 -0.006,578 0.164,579 0.065,580 -0.006,581 -0.016,582 -0.085,583 -0.028,584 -0.068,586 -0.178,587 -0.05,588 -0.184,589 -0.003,590 -0.207,591 -0.072,592 0.022,593 -0.125,594 -0.02,595 -0.109,596 -0.04,597 -0.003,598 0.059,599 0.137,600 0.095,601 0.091,602 0.177,603 -0.073,604 0.04,605 -0.115,606 -0.029,607 -0.111,608 -0.082,609 -0.159,610 -0.143,611 -0.229,612 -0.182,613 -0.087,614 -0.296,615 1.95,616 5.797,617 0.731,618 19.509,619 1.017,620 1.118,621 1.536,622 2.358,623 0.716,624 3.401,625 3.761,626 4.111,627 4.431,628 4.682,629 4.828,630 5.011,631 5.159,632 5.13,633 5.176,634 5.391,635 0.695,636 366.83,637 3.401,638 4.963,639 5.849,640 6.758,641 7.664,642 8.582,643 9.497,644 10.419,645 11.339,646 12.264,647 9.8,651 5}
{0 CHEMBL7064,1 1.472,2 5.647,3 2.995,4 8.969,5 65.355,6 8.81,7 0.8,8 3.39,9 3.48,10 3.123,11 3.091,12 4.591,13 3.084,14 3.868,15 3.967,16 3.527,17 3.515,18 5.044,19 3.5,20 4.091,21 4.232,22 3.619,23 3.605,24 5.288,25 3.583,26 4.099,27 4.248,28 3.54,29 3.478,30 5.396,31 3.469,32 3.933,33 4.118,34 3.127,35 3.177,36 5.269,37 3.125,38 3.519,39 3.755,40 2.312,41 2.727,42 4.531,43 2.582,44 2.938,45 3.224,46 1.401,47 2.098,48 3.655,49 1.863,50 2.219,51 2.574,52 0.316,53 1.178,54 2.639,55 0.876,56 0.042,57 0.336,58 3.207,59 1.844,60 3.923,61 2.043,62 0.03,63 0.529,64 5.451,65 3.141,66 6.469,67 3.502,68 0.059,69 0.674,70 8.788,71 4.401,72 12.535,73 5.179,74 0.117,75 0.708,76 9.351,77 4.23,78 21.969,79 4.424,80 0.251,81 0.621,82 9.301,83 3.708,84 33.77,85 3.879,86 0.123,87 0.398,88 7.256,89 2.939,90 21.585,91 3.478,92 0.037,93 0.218,94 4.436,95 1.869,96 6.058,97 2.637,98 0.023,99 0.103,100 2.801,101 1.051,102 4.104,103 1.606,104 2,105 30,106 0.283,107 0.553,108 0.668,109 0.803,110 0.876,111 0.891,112 2.914,113 0.821,114 -3.83,115 -3.79,116 -3.6,118 56,137 7,138 4,141 1,147 1,149 1,160 1,162 10,165 4,169 2,170 12,174 7,178 4,180 10,184 6,188 4,190 8,193 1,194 4,196 1,198 1,201 8,204 1,210 5,220 2,241 178,242 11.914,243 11.914,244 11.914,245 11.914,246 11.914,247 10.047,248 1.291,249 6.855,250 11.957,251 9.877,252 9.877,253 9.877,254 9.877,255 9.877,256 6.984,257 0.417,258 3.216,259 9.924,260 3.172,261 1.762,262 1.166,263 0.46,264 0.08,266 3.615,269 1,270 1,271 221,272 1.871,274 17.835,275 68.551,278 66.464,279 76.363,280 42.245,282 0.844,283 14.254,286 1,287 0.83,288 1,289 0.4,291 1,292 1,293 0.75,294 36,295 96,296 4.79,297 3.684,298 7.122,299 4.39,300 3.392,301 4.713,303 12.389,304 3.387,305 4.154,306 3.029,307 6.298,308 3.706,309 2.711,310 3.831,312 9.361,313 2.697,314 3.814,315 2.63,316 6.001,317 3.458,318 2.451,319 3.221,321 8.266,322 2.464,323 3.294,324 1.835,325 5.104,326 2.815,327 1.835,328 2.653,330 5.696,331 1.797,332 3.006,333 1.804,334 4.205,335 2.519,336 1.515,337 2.214,339 3.57,340 1.518,341 2.813,342 1.344,343 4.033,344 2.331,345 1.331,346 1.959,348 3.07,349 1.331,350 2.5,351 1.289,352 3.609,353 1.98,354 1,355 1.5,357 2.511,358 0.978,359 2.481,360 1,361 3.545,362 1.95,363 0.934,364 1.404,366 2.32,367 0.944,368 1.994,369 0.691,370 3.208,371 1.439,372 0.414,373 0.641,375 1.053,376 0.421,377 0.965,378 -0.254,379 2.634,380 0.582,381 -0.419,382 -0.544,384 -1.114,385 -0.419,386 0.895,387 -0.445,388 2.351,389 0.398,390 -0.621,391 -0.921,392 -1.513,393 -0.626,394 0.647,395 -0.765,396 2,397 0.173,398 -0.844,399 -1.257,400 -2.055,401 -0.858,402 0.5,403 -1,404 2,405 -0.01,406 -1,407 -1.5,408 -2.614,409 -0.989,410 0.028,411 -1.227,412 2,413 -0.415,414 -1.42,415 -1.999,416 -4.177,417 -1.393,418 -0.097,419 -1.481,420 1.724,421 -0.533,422 -1.541,423 -2.187,424 -4.46,425 -1.597,426 8.133,427 0.478,428 0.398,429 0.023,430 26.25,431 1.544,432 15.5,433 0.912,434 10.75,435 0.632,436 9.09,437 0.535,438 15.867,439 0.635,440 15.886,441 0.934,442 5.235,443 0.308,444 3.126,445 0.184,446 0.041,448 0.43,452 0.535,453 0.704,454 0.606,455 0.683,456 0.508,457 0.658,458 0.661,459 1.026,460 0.723,461 0.907,462 0.613,463 0.84,464 0.813,465 1.067,466 0.754,467 0.983,468 0.788,469 0.886,470 1.461,471 1.265,472 1.034,473 1.111,474 1.421,475 1.026,476 1.552,477 0.957,478 1.372,479 1.048,480 1.64,481 1.152,482 1.314,483 0.862,484 1.483,485 1.062,486 1.383,487 1.256,488 0.291,489 0.958,490 1.287,491 1.296,492 0.265,493 1.42,494 0.098,495 0.725,496 0.877,497 0.981,498 0.155,499 1.047,500 2,502 2.222,503 1.563,504 1.297,505 0.455,506 0.079,510 2213,511 5931,512 2.269,513 32,515 7,518 1,523 1.58,524 2.17,525 2.542,526 -0.314,529 1,531 36.793,532 1.472,533 2.882,534 3.477,535 4.183,536 4.564,537 4.644,538 1.904,539 3.617,540 4.069,541 2.533,542 344.505,543 6.923,544 2970.14,546 1,548 1,549 116.096,550 1.253,551 4.04,552 0.1,554 0.074,555 0.049,556 0.046,557 0.027,558 0.011,562 0.307,563 1,564 1,565 0.481,566 66.442,567 0.063,568 0.248,569 0.039,570 0.12,571 -0.045,572 0.083,573 -0.038,574 -0.109,575 -0.032,576 -0.078,577 -0.062,578 -0.059,579 0.012,580 -0.146,581 0.11,582 -0.066,583 0.04,584 0.016,585 -0.167,586 -0.265,587 -0.1,588 -0.2,589 -0.078,590 -0.152,591 -0.03,592 0.091,593 -0.305,594 -0.071,595 -0.04,596 -0.196,597 -0.268,598 0.09,599 -0.29,600 0.039,601 -0.264,602 -0.096,603 0.12,604 -0.074,605 0.017,606 -0.103,607 0.058,608 -0.068,609 0.352,610 0.149,611 0.771,612 0.417,613 0.247,614 0.607,615 1.583,616 5.351,617 0.941,618 7.031,619 1.007,620 1.098,621 2.6,622 6.762,623 0.75,624 3.045,625 3.434,626 3.85,627 4.234,628 4.533,629 4.673,630 4.844,631 4.97,632 4.99,633 4.927,634 3.484,635 0.734,636 220.24,637 3.045,638 4.615,639 5.533,640 6.466,641 7.402,642 8.342,643 9.282,644 10.224,645 11.165,646 12.108,647 8,651 5.638}
{0 CHEMBL91829,1 1.502,2 9.743,3 3.479,4 12.106,5 135.851,6 7.438,7 0.5,8 4.257,9 4.372,10 3.84,11 3.811,12 5.311,13 3.796,14 4.831,15 5.002,16 4.238,17 4.25,18 5.851,19 4.221,20 5.087,21 5.269,22 4.344,23 4.446,24 6.081,25 4.384,26 5.26,27 5.47,28 4.46,29 4.561,30 6.273,31 4.488,32 5.371,33 5.576,34 4.55,35 4.626,36 6.383,37 4.562,38 5.455,39 5.667,40 4.625,41 4.699,42 6.486,43 4.634,44 5.519,45 5.746,46 4.566,47 4.705,48 6.531,49 4.625,50 5.405,51 5.634,52 4.318,53 4.565,54 6.422,55 4.453,56 0.01,57 0.931,58 12.794,59 5.704,60 8.109,61 7.426,62 0.33,63 1.576,64 25.693,65 9.495,66 27.812,67 12.684,68 0.384,69 1.917,70 34.175,71 13.551,72 35.095,73 17.839,74 0.389,75 2.258,76 41.743,77 16.368,78 66.1,79 22.422,80 0.571,81 2.511,82 47.271,83 17.453,84 57.707,85 23.328,86 0.503,87 2.715,88 51.617,89 19.102,90 69.583,91 25.88,92 0.628,93 2.852,94 56.723,95 19.81,96 93.764,97 26.839,98 0.758,99 2.485,100 51.171,101 18.086,102 105.793,103 24.444,104 19,105 59,106 0.237,107 0.569,108 0.715,109 0.784,110 0.804,111 0.824,112 3.59,113 0.903,114 -3.48,115 -3.46,116 -3.31,118 44.4,120 1,123 2,124 4,126 1,133 2,137 8,138 4,146 2,147 2,150 2,162 13,165 10,167 2,169 2,170 14,173 2,174 11,178 2,180 13,183 2,184 8,188 2,190 13,193 3,194 10,196 2,198 2,201 12,203 3,204 14,208 4,210 10,212 1,213 16,218 3,220 10,222 1,223 14,225 1,229 8,231 1,232 6,238 7,241 1438,242 23.93,243 23.93,244 23.93,245 23.93,246 23.93,247 21.264,248 21.829,249 13.939,250 24.38,251 19.802,252 19.802,253 19.802,254 19.802,255 19.802,256 15.494,257 21.51,258 6.631,259 20.498,260 4.476,261 2.372,262 1.445,263 1.008,264 0.881,265 0.754,266 4.308,270 1,271 765,272 3.24,274 112.181,275 97.343,278 139.797,282 0.993,283 32.204,286 1,287 0.67,288 1,289 0.8,290 0.5,291 1,292 1,293 0.85,294 75,295 341,296 4.825,297 3.839,298 7.187,299 4.422,300 3.429,301 4.714,302 1.2,303 12.66,304 3.405,305 4.638,306 3.32,307 6.82,308 4.167,309 3.194,310 4.601,311 0.86,312 11.317,313 3.111,314 4.357,315 3.219,316 6.535,317 3.918,318 2.943,319 3.942,320 0.8,321 10.243,322 2.866,323 3.609,324 3.152,325 5.878,326 3.505,327 2.574,328 2.917,329 0.8,330 7.843,331 2.39,332 3.581,333 2.943,334 5.489,335 3.252,336 2.266,337 2.806,339 7.262,340 2.234,341 3.433,342 2.483,343 5.399,344 3.058,345 2.106,346 2.723,348 6.615,349 2.004,350 3.384,351 2.375,352 5.217,353 2.97,354 1.996,355 2.63,357 5.936,358 1.928,359 3.325,360 2.249,361 4.956,362 2.907,363 1.939,364 2.54,366 5.465,367 1.876,368 3.149,369 2.037,370 4.751,371 2.783,372 1.857,373 2.307,375 4.662,376 1.704,377 2.937,378 1.923,379 4.436,380 2.678,381 1.648,382 1.952,384 4.576,385 1.685,386 2.843,387 1.502,388 4.379,389 2.327,390 1.331,391 1.913,392 3.638,393 1.323,394 2.705,395 1.451,396 3.808,397 2.28,398 1.309,399 1.789,400 2.941,401 1.266,402 2.628,403 1.236,404 3.628,405 2.158,406 1.176,407 1.649,408 2.814,409 1.152,410 2.452,411 1.206,412 3.594,413 2.088,414 1.112,415 1.427,416 2.709,417 1.079,418 2.206,419 1.005,420 3.574,421 1.812,422 0.846,423 1.071,424 2.137,425 0.812,426 16.6,427 0.474,428 0.922,429 0.026,430 44.25,431 1.264,432 20.5,433 0.586,434 23.75,435 0.679,436 34.267,437 0.979,438 36.8,439 0.584,440 39.403,441 1.126,442 8.837,443 0.252,444 8.171,445 0.233,446 0.1,448 0.404,452 0.746,453 1.368,454 0.757,455 1.083,456 0.542,457 0.943,458 1.038,459 0.92,460 0.874,461 0.786,462 0.566,463 0.786,464 1.05,465 0.999,466 0.972,467 0.978,468 0.874,469 0.969,470 0.729,471 1.045,472 0.826,473 0.996,474 0.521,475 0.935,476 1.102,477 1,478 0.96,479 0.992,480 0.904,481 0.962,482 1.02,483 1.051,484 0.902,485 1.007,486 1.006,487 0.947,488 1.269,489 0.981,490 1.035,491 0.956,492 1.261,493 0.956,494 1.267,495 0.996,496 1.184,497 1.027,498 1.448,499 1.085,500 6,501 0.186,502 3.778,503 3.847,504 1.994,505 1.779,506 1.447,507 0.889,508 0.611,509 0.34,510 15429,511 36566,512 2.173,513 44.4,515 23,516 2,518 1,521 2,523 1.78,524 2.039,525 3.221,526 -0.401,531 94.602,532 1.502,533 3.605,534 4.533,535 4.969,536 5.096,537 5.223,538 2.119,539 4.844,540 5.11,541 3.324,542 1977.84,543 9.037,544 28638.5,549 376.569,550 1.392,551 5.065,552 0.15,553 0.01,554 0.064,555 0.06,556 0.028,557 0.023,558 0.018,559 0.012,560 0.011,561 0.009,562 0.384,563 0.5,564 0.75,565 0.797,566 181.497,567 -0.016,568 -0.211,569 0.075,570 -0.066,571 -0.029,572 0.003,573 -0.045,574 0.209,575 0.047,576 0.18,577 0.042,578 0.142,579 -0.039,580 0.029,581 -0.035,582 0.026,583 -0.046,585 0.115,586 -0.045,587 0.123,588 0.008,589 0.198,590 0.059,591 0.013,592 0.016,593 0.019,594 -0.016,595 0.022,596 -0.003,597 0.026,598 -0.047,599 0.076,600 -0.027,601 0.04,602 0.024,603 -0.127,604 0.016,605 -0.031,606 0.007,607 -0.064,608 0.006,609 -0.104,610 -0.025,611 -0.175,612 -0.055,613 -0.136,614 -0.115,615 2.015,616 6.201,617 0.829,618 24.898,619 1,620 1.121,621 2.253,622 5.077,623 0.675,624 3.714,625 4.094,626 4.454,627 4.844,628 5.112,629 5.328,630 5.591,631 5.805,632 5.953,633 6.12,634 5.908,635 0.644,636 468.6,637 3.714,638 5.293,639 6.188,640 7.114,641 8.033,642 8.969,643 9.899,644 10.84,645 11.777,646 12.721,647 6.3,650 1,651 5}
{0 CHEMBL939,1 1.765,2 12.935,3 4.203,4 17.668,5 117.539,6 8.126,7 0.5,8 4.125,9 4.233,10 3.763,11 3.608,12 5.232,13 3.614,14 4.683,15 4.851,16 4.108,17 3.975,18 5.763,19 3.967,20 4.893,21 5.085,22 4.228,23 4.114,24 6.01,25 4.075,26 4.91,27 5.131,28 4.063,29 4.094,30 5.891,31 4.01,32 4.924,33 5.162,34 3.998,35 4.066,36 5.867,37 3.975,38 4.855,39 5.07,40 4.024,41 4.022,42 5.847,43 3.955,44 4.822,45 5.037,46 4.035,47 4,48 5.867,49 3.93,50 4.743,51 4.957,52 4.007,53 3.938,54 5.802,55 3.875,56 0.111,57 0.856,58 10.201,59 4.964,60 8.62,61 6.061,62 0.52,63 1.327,64 22.65,65 8.032,66 32.965,67 9.846,68 0.832,69 1.556,70 32.057,71 10.206,72 61.553,73 12.9,74 0.668,75 1.527,76 32.189,77 10.914,78 50.112,79 14.647,80 0.769,81 1.436,82 34.793,83 11.224,84 55.907,85 15.459,86 0.703,87 1.383,88 30.31,89 10.185,90 51.652,91 13.425,92 0.773,93 1.377,94 29.541,95 9.526,96 53.011,97 12.641,98 0.507,99 1.332,100 28.621,101 8.847,102 41.222,103 11.646,104 11,105 46,106 0.291,107 0.618,108 0.788,109 0.862,110 0.862,111 0.862,112 3.472,113 0.926,114 -4.14,115 -4.08,116 -3.86,118 40,120 1,123 1,124 6,137 5,138 1,139 5,141 1,142 1,143 1,162 2,164 1,165 7,167 1,169 3,170 3,173 2,174 5,178 2,180 3,183 2,184 4,186 1,188 2,190 4,193 2,194 3,196 1,201 5,203 1,204 4,206 1,210 4,212 2,213 7,218 1,220 2,223 4,229 1,231 2,232 3,234 1,238 2,241 1793,242 21.3,243 21.3,244 21.3,245 21.3,246 21.3,247 19.212,248 28.856,249 12.772,250 22.231,251 16.748,252 16.748,253 16.748,254 16.748,255 16.748,256 13.558,257 41.089,258 6.022,259 18.21,260 4.016,261 2.038,262 1.007,263 0.559,264 0.559,265 0.559,266 4.172,267 1,269 1,270 1,271 866,272 3.24,275 375.27,279 143.891,282 2.067,283 34.732,286 1,287 1,288 1,289 1,290 0.5,291 1,292 1,293 0.93,294 68.833,295 401,296 4.575,297 3.319,298 6.586,299 4.099,300 3.135,301 4.513,302 0.86,303 10.534,304 3.023,305 4.218,306 3.281,307 6.054,308 3.76,309 2.835,310 3.872,311 0.86,312 8.734,313 2.605,314 3.99,315 2.944,316 5.946,317 3.569,318 2.645,319 3.493,320 0.86,321 8.294,322 2.43,323 3.569,324 2.884,325 5.361,326 3.436,327 2.52,328 2.926,329 0.8,330 6.965,331 2.305,332 3.52,333 2.475,334 5.34,335 3.155,336 2.228,337 2.674,338 0.4,339 6.774,340 2.032,341 3.334,342 2.316,343 5.011,344 2.867,345 1.925,346 2.521,348 5.763,349 1.803,350 2.999,351 2.162,352 4.505,353 2.589,354 1.675,355 2.22,357 4.444,358 1.524,359 2.82,360 2.123,361 4.042,362 2.481,363 1.561,364 1.949,366 3.523,367 1.433,368 2.767,369 1.897,370 3.948,371 2.319,372 1.414,373 1.819,375 3.451,376 1.23,377 2.581,378 1.618,379 3.696,380 2.29,381 1.414,382 1.587,384 3.144,385 1.217,386 2.312,387 1.367,388 3.448,389 2.091,390 1.174,391 1.3,392 2.612,393 1.067,394 2,395 1.256,396 3.247,397 1.952,398 1,399 1,400 2.136,401 0.946,402 1.822,403 0.969,404 3.201,405 1.535,406 0.632,407 0.729,408 1.449,409 0.565,410 1.555,411 0.825,412 2.898,413 1.27,414 0.391,415 0.416,416 0.737,417 0.34,418 1.471,419 0.734,420 2.812,421 1.162,422 0.282,423 0.34,424 0.598,425 0.236,426 14.6,427 0.471,428 0.623,429 0.02,430 38.75,431 1.25,432 17.5,433 0.565,434 21.25,435 0.685,436 26.928,437 0.869,438 34.6,439 0.629,440 29.763,441 0.96,442 7.851,443 0.253,444 7.285,445 0.235,446 0.103,448 0.301,451 1,452 0.775,453 1.345,454 0.626,455 1.16,456 0.585,457 0.989,458 1.168,459 0.98,460 0.792,461 0.838,462 0.738,463 0.833,464 1.016,465 1.056,466 0.905,467 0.952,468 0.808,469 0.943,470 0.783,471 0.984,472 0.87,473 1.054,474 0.73,475 1.065,476 0.707,477 0.736,478 0.809,479 0.899,480 0.482,481 0.916,482 0.933,483 0.895,484 0.777,485 0.917,486 0.705,487 0.942,488 0.928,489 0.86,490 0.854,491 0.838,492 0.69,493 0.915,494 0.962,495 1.09,496 1.043,497 1.073,498 0.862,499 1.026,500 5.5,501 0.177,502 3.111,503 1.563,504 1.782,505 0.736,506 0.625,507 0.531,508 0.32,509 0.284,510 13808,511 42102,512 2.104,513 43.6,515 20,517 1,518 1,521 2,523 1.737,524 2,525 3.648,526 -0.297,528 1,531 97.073,532 1.765,533 3.743,534 4.774,535 5.222,536 5.222,537 5.222,538 3.112,539 4.696,540 4.92,541 3.818,542 1775.43,543 8.602,544 25978.8,546 1,548 1,549 317.975,550 1.277,551 4.899,552 0.162,553 0.006,554 0.068,555 0.033,556 0.043,557 0.018,558 0.016,559 0.014,560 0.009,561 0.008,562 0.376,563 0.33,564 1,565 0.646,566 162.713,567 -0.052,568 -0.241,569 0.04,570 -0.139,571 -0.014,572 -0.038,573 -0.17,574 0.02,575 0.008,576 0.11,577 -0.016,578 0.087,579 -0.011,580 -0.043,581 0.013,582 0.016,583 0.095,584 0.007,585 0.019,586 -0.051,587 -0.011,588 -0.086,589 0.002,590 -0.076,591 0.081,592 0.061,593 0.074,594 0.064,595 0.075,596 0.092,597 -0.025,598 -0.026,599 0.053,600 0.042,601 -0.017,602 0.039,603 -0.003,604 0.031,605 0.039,606 0.111,607 0.023,608 0.05,609 -0.088,610 -0.116,611 -0.027,612 -0.096,613 -0.012,614 -0.053,615 2.141,616 5.468,617 0.71,618 36.081,619 1.017,620 1.136,621 2.907,622 8.449,623 0.665,624 3.555,625 3.85,626 4.111,627 4.344,628 4.605,629 4.644,630 4.762,631 4.898,632 5.024,633 5.063,634 7.531,635 0.641,636 446.95,637 3.555,638 5.081,639 5.922,640 6.783,641 7.642,642 8.511,643 9.377,644 10.251,645 11.123,646 12.001,647 7.3,650 1,651 5}
{0 CHEMBL941,1 1.468,2 16.73,3 4.221,4 17.813,5 146.651,6 7.26,7 0.585,8 4.309,9 4.443,10 3.863,11 3.85,12 5.388,13 3.826,14 4.838,15 5.033,16 4.197,17 4.233,18 5.866,19 4.187,20 5.077,21 5.286,22 4.239,23 4.395,24 6.061,25 4.31,26 5.205,27 5.466,28 4.145,29 4.367,30 6.139,31 4.247,32 5.13,33 5.402,34 4.135,35 4.291,36 6.073,37 4.196,38 4.967,39 5.186,40 4.111,41 4.268,42 6.004,43 4.179,44 5.016,45 5.264,46 4.026,47 4.248,48 5.971,49 4.136,50 4.9,51 5.125,52 3.986,53 4.166,54 5.937,55 4.067,56 0.042,57 1.057,58 14.153,59 5.707,60 10.591,61 7.967,62 0.335,63 1.689,64 26.501,65 9.172,66 28.678,67 13.227,68 0.267,69 2.03,70 34.233,71 12.408,72 36.8,73 17.809,74 0.379,75 2.115,76 41.833,77 14.546,78 57.714,79 21.321,80 0.4,81 1.949,82 39.659,83 12.896,84 56.06,85 19.119,86 0.404,87 1.798,88 31.238,89 11.142,90 47.554,91 15.945,92 0.357,93 1.761,94 34.142,95 12.405,96 47.321,97 17.862,98 0.328,99 1.59,100 29.721,101 10.944,102 50.027,103 15.574,104 10,105 56,106 0.229,107 0.549,108 0.732,109 0.824,110 0.859,111 0.859,112 3.642,113 0.911,114 -4.14,115 -4.08,116 -3.86,118 42.6,119 1,123 1,124 5,137 10,138 4,139 2,140 3,141 1,145 1,150 1,162 11,164 1,165 7,167 3,169 5,170 12,173 1,174 6,178 5,180 7,183 1,184 13,187 1,188 6,190 3,194 9,198 3,201 5,203 1,204 6,206 4,208 2,210 11,212 1,213 3,216 1,218 2,220 13,222 2,223 5,227 4,229 11,232 8,236 2,238 6,241 2915,242 25.256,243 25.256,244 25.256,245 25.256,246 25.256,247 22.252,248 30.255,249 15.065,250 25.762,251 20.276,252 20.276,253 20.276,254 20.276,255 20.276,256 15.83,257 48.345,258 7.248,259 21.073,260 4.619,261 2.571,262 1.397,263 0.809,264 0.581,265 0.581,266 4.35,270 1,271 1361,272 3.317,275 678.363,282 2.71,283 24.81,286 1,287 0.83,288 1,289 0.8,290 0.5,291 1,292 1,293 0.88,294 78.5,295 619,296 4.315,297 3.573,298 6.185,299 3.93,300 2.959,301 3.96,302 1.058,303 9.244,304 2.89,305 4.24,306 3.072,307 6.115,308 3.858,309 2.876,310 3.87,311 0.916,312 8.969,313 2.818,314 4.165,315 3.043,316 6.033,317 3.787,318 2.798,319 3.759,320 0.8,321 8.628,322 2.765,323 3.82,324 2.87,325 5.588,326 3.604,327 2.658,328 3.263,329 0.4,330 7.698,331 2.52,332 3.74,333 2.687,334 5.313,335 3.344,336 2.392,337 3.117,338 0.172,339 6.87,340 2.27,341 3.544,342 2.462,343 5.204,344 3.267,345 2.32,346 2.784,348 6.483,349 2.183,350 3.434,351 2.335,352 5.127,353 3.087,354 2.123,355 2.551,357 6.246,358 2.046,359 3.203,360 2.27,361 4.806,362 2.861,363 1.928,364 2.486,366 5.438,367 1.786,368 3.033,369 1.869,370 4.413,371 2.731,372 1.773,373 2.052,375 4.415,376 1.697,377 2.857,378 1.829,379 4.15,380 2.412,381 1.441,382 2,384 3.703,385 1.398,386 2.744,387 1.543,388 4.047,389 2.282,390 1.265,391 1.806,392 3.364,393 1.276,394 2.709,395 1.262,396 3.541,397 2.207,398 1.238,399 1.75,400 2.792,401 1.197,402 2.5,403 1.146,404 3.429,405 2,406 1,407 1.5,408 2.387,409 1,410 2.5,411 1,412 3.414,413 1.967,414 1,415 1.5,416 2.275,417 0.965,418 2.5,419 1,420 3.414,421 1.961,422 1,423 1.5,424 2.275,425 0.958,426 17.633,427 0.477,428 0.814,429 0.022,430 51.25,431 1.385,432 26.5,433 0.716,434 24.75,435 0.669,436 29.967,437 0.81,438 38.767,439 0.57,440 41.044,441 1.109,442 10.312,443 0.279,444 7.718,445 0.209,446 0.076,448 0.301,452 0.848,453 1.433,454 0.808,455 1.104,456 0.626,457 0.972,458 0.991,459 0.994,460 0.919,461 0.878,462 0.591,463 0.877,464 1.061,465 1.208,466 1.096,467 1.165,468 0.867,469 1.137,470 0.973,471 1.042,472 0.968,473 1.04,474 0.971,475 1.011,476 1.198,477 0.876,478 0.825,479 0.754,480 1.213,481 0.747,482 0.988,483 0.96,484 1.076,485 1.036,486 1.053,487 1.059,488 0.958,489 0.93,490 0.951,491 0.966,492 1.182,493 0.964,494 1.025,495 1.05,496 0.997,497 1.062,498 1.329,499 1.041,500 7.5,501 0.206,502 3.556,503 1.875,504 1.791,505 0.938,506 0.726,507 0.668,508 0.358,509 0.262,510 25355,511 58418,512 2.133,513 45.6,514 3,515 23,517 3,518 2,523 1.776,524 2.037,525 4.006,526 0.135,531 99.834,532 1.468,533 3.516,534 4.69,535 5.278,536 5.506,537 5.506,538 3.506,539 4.703,540 5.178,541 4.179,542 2783.16,543 9.086,544 48375,549 413.947,550 1.241,551 5.159,552 0.183,553 0.006,554 0.063,555 0.033,556 0.037,557 0.018,558 0.015,559 0.015,560 0.008,561 0.007,562 0.385,563 0.33,564 0.75,565 0.435,566 208.703,567 -0.022,568 -0.243,569 0.063,570 -0.075,571 -0.021,572 -0.009,573 0.046,574 0.146,575 0.024,576 0.089,577 0.102,578 0.061,579 -0.097,580 -0.145,581 -0.151,582 -0.173,583 -0.002,584 -0.168,585 0.021,586 -0.089,587 0.03,588 -0.055,589 0.075,590 -0.019,591 -0.065,592 0.072,593 0.198,594 0.214,595 0.019,596 0.235,597 0.047,598 0.098,599 -0.115,600 -0.056,601 -0.036,602 -0.097,603 0.03,604 0.03,605 0.033,606 0.04,607 -0.028,608 0.037,609 0.066,610 -0.067,611 -0.022,612 -0.052,613 0.048,614 -0.049,615 1.809,616 5.93,617 0.811,618 52.079,619 0.995,620 1.128,621 2.907,622 8.452,623 0.671,624 3.738,625 4.043,626 4.277,627 4.5,628 4.754,629 4.736,630 4.868,631 4.997,632 5.069,633 5.165,634 9.44,635 0.635,636 493.67,637 3.738,638 5.273,639 6.107,640 6.965,641 7.812,642 8.671,643 9.522,644 10.381,645 11.235,646 12.095,647 10.3,650 2,651 5}