@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3747 @attribute molecule_id {CHEMBL168471,CHEMBL1923954,CHEMBL1923955,CHEMBL1923956,CHEMBL1923957,CHEMBL1923958,CHEMBL1923959,CHEMBL1923960,CHEMBL1923961,CHEMBL1923962,CHEMBL1923963,CHEMBL1923964,CHEMBL1923965,CHEMBL1923966,CHEMBL1923967,CHEMBL1923968,CHEMBL288365} @attribute ATS4m numeric @attribute ATS5s numeric @attribute ATSC5m numeric @attribute CATS2D_04_AL numeric @attribute CATS2D_06_LL numeric @attribute DECC 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.ed. numeric @attribute Eig02_EA.ri. numeric @attribute Eig03_AEA.bo. numeric @attribute Eig03_AEA.ed. numeric @attribute Eig03_AEA.ri. numeric @attribute Eig03_EA numeric @attribute Eig03_EA.bo. numeric @attribute Eig03_EA.ed. numeric @attribute Eig03_EA.ri. numeric @attribute Eig04_AEA.bo. numeric @attribute Eig04_AEA.ed. numeric @attribute Eig04_EA numeric @attribute Eig04_EA.bo. numeric @attribute Eig04_EA.ed. numeric @attribute Eig05_AEA.bo. numeric @attribute Eig05_AEA.ed. numeric @attribute Eig05_AEA.ri. numeric @attribute Eig05_EA numeric @attribute Eig05_EA.ed. numeric @attribute Eig05_EA.ri. numeric @attribute Eig06_AEA.bo. numeric @attribute Eig06_AEA.dm. numeric @attribute Eig06_AEA.ed. numeric @attribute Eig06_AEA.ri. numeric @attribute Eig06_EA numeric @attribute Eig06_EA.bo. numeric @attribute Eig06_EA.ed. numeric @attribute Eig06_EA.ri. numeric @attribute Eig07_AEA.bo. numeric @attribute Eig07_AEA.ed. numeric @attribute Eig07_EA numeric @attribute Eig07_EA.bo. numeric @attribute Eig07_EA.ed. numeric @attribute Eig08_AEA.dm. numeric @attribute Eig08_AEA.ed. numeric @attribute Eig09_AEA.ed. numeric @attribute Eta_B numeric @attribute GGI3 numeric @attribute GGI4 numeric @attribute GGI5 numeric @attribute GGI6 numeric @attribute GGI7 numeric @attribute MATS2i numeric @attribute MATS3p numeric @attribute MWC04 numeric @attribute MWC05 numeric @attribute MWC06 numeric @attribute MWC07 numeric @attribute MWC08 numeric @attribute MWC09 numeric @attribute MWC10 numeric @attribute piPC04 numeric @attribute piPC09 numeric @attribute P_VSA_s_4 numeric @attribute Qindex numeric @attribute Ram numeric @attribute SM02_AEA.ed. numeric @attribute SM02_AEA.ri. numeric @attribute SM02_EA.ed. numeric @attribute SM03_AEA.bo. numeric @attribute SM03_AEA.ed. numeric @attribute SM03_EA numeric @attribute SM03_EA.bo. numeric @attribute SM03_EA.ed. numeric @attribute SM03_EA.ri. numeric @attribute SM04_AEA.bo. numeric @attribute SM04_AEA.ed. numeric @attribute SM04_EA numeric @attribute SM04_EA.bo. numeric @attribute SM04_EA.ed. numeric @attribute SM04_EA.ri. numeric @attribute SM05_AEA.bo. numeric @attribute SM05_AEA.ed. numeric @attribute SM05_EA numeric @attribute SM05_EA.bo. numeric @attribute SM05_EA.ed. numeric @attribute SM05_EA.ri. numeric @attribute SM06_AEA.bo. numeric @attribute SM06_AEA.ed. numeric @attribute SM06_EA numeric @attribute SM06_EA.bo. numeric @attribute SM06_EA.ed. numeric @attribute SM06_EA.ri. numeric @attribute SM07_AEA.bo. numeric @attribute SM07_AEA.ed. numeric @attribute SM07_EA numeric @attribute SM07_EA.bo. numeric @attribute SM07_EA.ed. numeric @attribute SM07_EA.ri. numeric @attribute SM08_AEA.bo. numeric @attribute SM08_AEA.ed. numeric @attribute SM08_EA numeric @attribute SM08_EA.bo. numeric @attribute SM08_EA.ed. numeric @attribute SM08_EA.ri. numeric @attribute SM09_AEA.ed. numeric @attribute SM09_EA numeric @attribute SM09_EA.bo. numeric @attribute SM09_EA.ed. numeric @attribute SM09_EA.ri. numeric @attribute SM10_AEA.bo. numeric @attribute SM10_AEA.ed. numeric @attribute SM10_EA numeric @attribute SM10_EA.bo. numeric @attribute SM10_EA.ed. numeric @attribute SM10_EA.ri. numeric @attribute SM11_AEA.bo. numeric @attribute SM11_AEA.dm. numeric @attribute SM11_AEA.ed. numeric @attribute SM11_EA numeric @attribute SM11_EA.bo. numeric @attribute SM11_EA.ed. numeric @attribute SM11_EA.ri. numeric @attribute SM12_AEA.bo. numeric @attribute SM12_AEA.dm. numeric @attribute SM12_AEA.ed. numeric @attribute SM12_EA numeric @attribute SM12_EA.bo. numeric @attribute SM12_EA.ed. numeric @attribute SM12_EA.ri. numeric @attribute SM13_AEA.bo. numeric @attribute SM13_AEA.dm. numeric @attribute SM13_AEA.ed. numeric @attribute SM13_AEA.ri. numeric @attribute SM13_EA numeric @attribute SM13_EA.bo. numeric @attribute SM13_EA.ed. numeric @attribute SM13_EA.ri. numeric @attribute SM14_AEA.bo. numeric @attribute SM14_AEA.dm. numeric @attribute SM14_AEA.ed. numeric @attribute SM14_AEA.ri. numeric @attribute SM14_EA numeric @attribute SM14_EA.ed. numeric @attribute SM14_EA.ri. numeric @attribute SM15_AEA.bo. numeric @attribute SM15_AEA.dm. numeric @attribute SM15_AEA.ed. numeric @attribute SM15_EA numeric @attribute SM15_EA.bo. numeric @attribute SM15_EA.ri. numeric @attribute SpAD_EA.ed. numeric @attribute SpDiam_AEA.ri. numeric @attribute SpDiam_EA.ed. numeric @attribute SpMax1_Bh.p. numeric @attribute SpMax1_Bh.v. numeric @attribute SpMax2_Bh.m. numeric @attribute SpMax2_Bh.p. numeric @attribute SpMin2_Bh.e. numeric @attribute SpMin2_Bh.i. numeric @attribute SRW06 numeric @attribute SRW08 numeric @attribute SRW10 numeric @attribute TWC numeric @attribute X2 numeric @attribute X2v numeric @attribute X3A numeric @attribute X2sol numeric @attribute CATS2D_09_DL numeric @attribute Mi numeric @attribute X5sol numeric @attribute X5v numeric @attribute SpMax3_Bh.v. numeric @attribute ATSC4m numeric @attribute CATS2D_02_LL numeric @attribute CATS2D_03_LL numeric @attribute Eta_alpha_A numeric @attribute Psi_e_A numeric @attribute Psi_i_A numeric @attribute SaasC numeric @attribute SpMax3_Bh.m. numeric @attribute MATS6v numeric @attribute ALOGP numeric @attribute ALOGP2 numeric @attribute AMR numeric @attribute ATS1p numeric @attribute ATS1v numeric @attribute ATS2p numeric @attribute ATS2v numeric @attribute ATS3p numeric @attribute ATS3v numeric @attribute ATS7m numeric @attribute ATS7v numeric @attribute ATSC4p numeric @attribute ATSC5p numeric @attribute CATS2D_06_DL numeric @attribute Eta_alpha numeric @attribute Eta_sh_x numeric @attribute Psi_i_0 numeric @attribute Psi_i_1 numeric @attribute Sp numeric @attribute SpMax3_Bh.p. numeric @attribute SpMax4_Bh.v. numeric @attribute SpMax8_Bh.m. numeric @attribute SpMin3_Bh.i. numeric @attribute Sv numeric @attribute TIE numeric @attribute VvdwMG numeric @attribute VvdwZAZ numeric @attribute Vx numeric @attribute X0sol numeric @attribute X0v numeric @attribute X1Kup numeric @attribute X1sol numeric @attribute X1v numeric @attribute X3sol numeric @attribute X4sol numeric @attribute Eta_sh_y numeric @attribute ATS3m numeric @attribute ATS4s numeric @attribute ATSC7p numeric @attribute P_VSA_e_2 numeric @attribute P_VSA_i_2 numeric @attribute SpMax1_Bh.e. numeric @attribute SpMax1_Bh.i. numeric @attribute SpMax2_Bh.e. numeric @attribute SpMax5_Bh.v. numeric @attribute ZM2MulPer numeric @attribute ZM2Per numeric @attribute SaaCH numeric @attribute MATS3i numeric @attribute ATSC6s numeric @attribute GATS4i numeric @attribute GATS6i numeric @attribute GATS6p numeric @attribute MATS6p numeric @attribute P_VSA_p_3 numeric @attribute P_VSA_v_3 numeric @attribute SpMax2_Bh.v. numeric @attribute CATS2D_03_DL numeric @attribute GATS8s numeric @attribute MATS4v numeric @attribute SpMax4_Bh.m. numeric @attribute SpMax5_Bh.p. numeric @attribute AAC numeric @attribute AECC numeric @attribute AMW numeric @attribute ARR numeric @attribute ATS1e numeric @attribute ATS1i numeric @attribute ATS1m numeric @attribute ATS1s numeric @attribute ATS2e numeric @attribute ATS2i numeric @attribute ATS2m numeric @attribute ATS2s numeric @attribute ATS3e numeric @attribute ATS3i numeric @attribute ATS3s numeric @attribute ATS4e numeric @attribute ATS4i numeric @attribute ATS4p numeric @attribute ATS4v numeric @attribute ATS5e numeric @attribute ATS5i numeric @attribute ATS5m numeric @attribute ATS5p 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 ATS7p numeric @attribute ATS7s 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 ATSC4s numeric @attribute ATSC4v numeric @attribute ATSC5e numeric @attribute ATSC5i numeric @attribute ATSC5s numeric @attribute ATSC5v numeric @attribute ATSC6e numeric @attribute ATSC6i numeric @attribute ATSC6m numeric @attribute ATSC6p numeric @attribute ATSC6v numeric @attribute ATSC7e numeric @attribute ATSC7i numeric @attribute ATSC7m numeric @attribute ATSC7s numeric @attribute ATSC7v numeric @attribute ATSC8e numeric @attribute ATSC8i numeric @attribute ATSC8m numeric @attribute ATSC8p numeric @attribute ATSC8s numeric @attribute ATSC8v numeric @attribute BAC numeric @attribute BBI numeric @attribute BIC0 numeric @attribute BIC1 numeric @attribute BIC2 numeric @attribute BIC3 numeric @attribute BIC4 numeric @attribute BIC5 numeric @attribute BID numeric @attribute BLI numeric @attribute BLTA96 numeric @attribute BLTD48 numeric @attribute BLTF96 numeric @attribute C. numeric @attribute C.001 numeric @attribute C.002 numeric @attribute C.003 numeric @attribute C.005 numeric @attribute C.024 numeric @attribute C.025 numeric @attribute C.026 numeric @attribute C.033 numeric @attribute C.034 numeric @attribute CATS2D_01_LL numeric @attribute CATS2D_02_AA numeric @attribute CATS2D_02_AL numeric @attribute CATS2D_02_DA numeric @attribute CATS2D_02_DL numeric @attribute CATS2D_03_AA numeric @attribute CATS2D_03_AL numeric @attribute CATS2D_03_DD numeric @attribute CATS2D_04_DL numeric @attribute CATS2D_04_LL numeric @attribute CATS2D_05_AL numeric @attribute CATS2D_05_DD numeric @attribute CATS2D_05_DL numeric @attribute CATS2D_05_LL numeric @attribute CATS2D_06_AA numeric @attribute CATS2D_06_AL numeric @attribute CATS2D_06_DA numeric @attribute CATS2D_07_AL numeric @attribute CATS2D_07_DA numeric @attribute CATS2D_07_DL numeric @attribute CATS2D_07_LL numeric @attribute CATS2D_08_AL numeric @attribute CATS2D_08_DD numeric @attribute CATS2D_08_DL numeric @attribute CATS2D_08_LL numeric @attribute CATS2D_09_AL numeric @attribute CATS2D_09_LL 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 CSI numeric @attribute DBI numeric @attribute D.Dtr05 numeric @attribute D.Dtr06 numeric @attribute D.Dtr09 numeric @attribute D.Dtr10 numeric @attribute DELS numeric @attribute Depressant.80 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_EA.bo. numeric @attribute Eig03_AEA.dm. numeric @attribute Eig03_EA.dm. numeric @attribute Eig04_AEA.dm. numeric @attribute Eig04_AEA.ri. numeric @attribute Eig04_EA.dm. numeric @attribute Eig04_EA.ri. numeric @attribute Eig05_AEA.dm. numeric @attribute Eig05_EA.bo. numeric @attribute Eig07_AEA.dm. numeric @attribute Eig07_AEA.ri. numeric @attribute Eig07_EA.ri. numeric @attribute Eig08_AEA.bo. numeric @attribute Eig08_AEA.ri. numeric @attribute Eig08_EA numeric @attribute Eig08_EA.bo. numeric @attribute Eig08_EA.ed. numeric @attribute Eig08_EA.ri. numeric @attribute Eig09_AEA.bo. numeric @attribute Eig09_AEA.dm. numeric @attribute Eig09_AEA.ri. numeric @attribute Eig09_EA numeric @attribute Eig09_EA.bo. 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.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_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 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 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 GATS6m 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 GATS8v numeric @attribute GGI1 numeric @attribute GGI10 numeric @attribute GGI2 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.050 numeric @attribute H.052 numeric @attribute HDcpx numeric @attribute HNar numeric @attribute HVcpx numeric @attribute Hy numeric @attribute Hypertens.50 numeric @attribute Hypnotic.80 numeric @attribute IAC numeric @attribute IC0 numeric @attribute IC1 numeric @attribute IC2 numeric @attribute IC3 numeric @attribute IC4 numeric @attribute IC5 numeric @attribute ICR numeric @attribute IDDE numeric @attribute IDDM numeric @attribute IDE numeric @attribute IDET numeric @attribute IDM numeric @attribute IDMT numeric @attribute Infective.50 numeric @attribute Infective.80 numeric @attribute Inflammat.80 numeric @attribute ISIZ numeric @attribute IVDE numeric @attribute IVDM numeric @attribute JGI1 numeric @attribute JGI10 numeric @attribute JGI2 numeric @attribute JGI3 numeric @attribute JGI4 numeric @attribute JGI5 numeric @attribute JGI6 numeric @attribute JGI7 numeric @attribute JGI8 numeric @attribute JGI9 numeric @attribute JGT numeric @attribute LLS_01 numeric @attribute LLS_02 numeric @attribute LOC numeric @attribute LPRS numeric @attribute MATS1e numeric @attribute MATS1i numeric @attribute MATS1m numeric @attribute MATS1p numeric @attribute MATS1s numeric @attribute MATS1v numeric @attribute MATS2e numeric @attribute MATS2m numeric @attribute MATS2p numeric @attribute MATS2s numeric @attribute MATS2v numeric @attribute MATS3e numeric @attribute MATS3m numeric @attribute MATS3s numeric @attribute MATS3v numeric @attribute MATS4e numeric @attribute MATS4i numeric @attribute MATS4m numeric @attribute MATS4p numeric @attribute MATS4s 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 MATS6s 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 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 pXC50 numeric @data {1 4.104,2 6.422,3 40.947,4 10,5 9,6 1.52,7 4.033,8 3.754,9 6.327,10 3.859,11 2.876,12 9.357,13 2.805,14 3.827,15 5.439,16 3.503,17 2.517,18 3.167,19 7.173,20 2.482,21 3.558,22 5.139,23 2.386,24 2.591,25 6.3,26 3.087,27 4.729,28 2.963,29 1.968,30 4.886,31 1.953,32 3.037,33 2.272,34 4.647,35 2.676,36 1.651,37 2.053,38 4.661,39 1.684,40 2.884,41 4.311,42 1.6,43 1.865,44 4.002,45 1.785,46 3.514,47 3.414,48 0.937,49 2.375,50 1.782,51 1.16,52 0.652,53 0.493,54 -0.091,55 -0.11,56 6.466,57 7.295,58 8.168,59 9.009,60 9.883,61 10.731,62 11.605,63 4.686,64 5.014,65 84.63,66 13,67 9,68 5.652,69 4.002,70 6.491,71 5.98,72 7.255,73 4.205,74 4.913,75 7.761,76 4.048,77 7.323,78 8.972,79 5.948,80 6.937,81 10.74,82 5.766,83 8.708,84 10.759,85 6.621,86 7.952,87 12.814,88 6.331,89 10.133,90 12.593,91 7.976,92 9.623,93 15.451,94 7.645,95 11.588,96 14.461,97 8.953,98 10.958,99 17.817,100 8.51,101 13.066,102 16.354,103 10.189,104 12.536,105 20.365,106 9.686,107 18.268,108 11.296,109 13.996,110 22.833,111 10.687,112 2.876,113 20.197,114 12.501,115 15.55,116 25.361,117 11.816,118 2.517,119 9.357,120 22.137,121 13.666,122 17.06,123 27.865,124 12.879,125 2.386,126 7.173,127 24.087,128 14.867,129 18.608,130 30.39,131 13.995,132 1.968,133 6.3,134 26.045,135 3.167,136 16.058,137 20.139,138 32.908,139 15.088,140 1.651,141 4.886,142 28.008,143 2.591,144 17.264,145 35.434,146 16.204,147 1.6,148 4.661,149 29.975,150 18.469,151 23.226,152 17.313,153 106.992,154 5.384,155 19.958,156 4.063,157 3.975,158 3.742,159 3.69,160 1.798,161 1.747,162 6.744,163 8.316,164 9.932,165 12.151,166 11.174,167 8.392,168 0.194,169 11.853,171 1.142,172 5.229,173 2.337,174 3.59,175 44.122,176 6,177 2,178 0.47,179 8.37,180 2.87,181 -0.693,182 3.717,183 0.005,184 2.961,185 8.767,186 93.098,187 3.482,188 3.421,189 3.847,190 3.766,191 4.022,192 3.909,193 3.814,194 3.83,195 11.022,196 9.97,197 3,198 11.752,199 0.071,200 17.143,201 13.766,202 31.551,203 3.608,204 3.406,205 2.681,206 1.671,207 29.794,208 143.248,209 193.713,210 347.94,211 464.419,212 18.578,213 15.639,214 8.113,215 11.99,216 9.584,217 8.224,218 6.647,219 0.298,220 4.038,221 6.199,222 10.628,223 108.348,224 102.541,225 4.083,226 4.066,227 3.834,228 3.256,229 377.483,230 540.73,231 4.314,232 -0.122,233 224.148,234 0.864,235 0.729,236 0.794,237 0.103,238 108.348,239 108.348,240 3.691,241 6,242 0.899,243 0.157,244 3.546,245 3.251,246 1.732,247 10,248 7.45,249 0.24,250 3.963,251 4.079,252 3.658,253 5.059,254 4.539,255 4.72,256 3.927,257 5.829,258 4.857,259 5.069,260 6.048,261 5.01,262 5.261,263 4.002,264 3.908,265 4.903,266 5.095,267 4.06,268 3.938,269 3.881,270 4.901,271 5.114,272 3.92,273 3.947,274 6.327,275 3.857,276 4.819,277 5.024,278 3.952,279 6.003,280 4.915,281 5.183,282 3.67,283 3.886,284 6.138,285 3.726,286 0.118,287 0.77,288 13.775,289 5.162,290 21.785,291 6.436,292 0.438,293 1.18,294 22.911,295 8.469,296 79.576,297 10.915,298 0.593,299 1.478,300 34.737,301 11.205,302 97.434,303 14.222,304 0.864,305 1.452,306 154.145,307 14.797,308 1.164,309 1.321,310 218.372,311 12.491,312 1.145,313 1.304,314 35.291,315 10.351,316 13.548,317 0.567,318 1.288,319 32.971,320 110.069,321 13.775,322 0.935,323 1.285,324 36.8,325 10.735,326 190.366,327 14.681,328 98,329 35,330 0.297,331 0.581,332 0.724,333 0.765,334 0.806,335 0.806,336 3.267,337 1.15,338 -3.08,339 -3.08,340 -2.96,341 34,342 4,343 1,344 2,346 4,348 2,351 7,352 1,354 3,355 2,357 6,358 1,359 6,361 7,363 1,364 3,366 5,367 1,368 6,370 4,371 8,372 2,375 6,376 6,377 4,378 994,379 15.532,380 15.532,381 15.532,382 15.532,383 15.532,384 14.286,385 12.47,386 9.009,387 15.772,388 12.217,389 12.217,390 12.217,391 12.217,392 12.217,393 10.198,394 9.692,395 4.16,396 12.641,397 3.912,398 2.253,399 1.42,400 1.18,401 0.94,402 0.94,403 3.898,405 1,406 486,407 5.099,409 102.534,412 50.844,413 1,414 1,415 0.83,416 1,417 1,418 1,419 1,420 0.98,421 56.5,422 250,423 4.855,424 4.687,425 7.316,426 4.328,427 3.405,428 4.701,429 1.956,430 12.55,431 3.128,432 3.401,433 3.161,434 0.248,435 2.875,436 3.337,438 2.258,439 2.462,440 2.279,441 1.788,442 2.568,443 1.531,444 2.5,445 2,446 1,447 1.5,448 2.275,449 1,450 2.056,451 1.165,452 1.69,453 0.709,454 0.799,455 1.796,456 0.687,457 1.833,458 1,459 2.93,460 1.45,461 0.346,462 0.497,463 0.495,464 0.378,465 1.12,466 0.62,467 2.629,468 0.707,469 -0.212,470 -0.256,471 -0.472,472 -0.182,473 1,474 0.387,475 2.477,476 0.665,477 -0.302,478 -0.338,479 -0.784,480 -0.297,481 0.896,482 -0.144,483 2.201,484 0.259,485 -0.761,486 -0.886,487 -2,488 -0.771,489 0.522,490 -0.34,491 2,492 0.048,493 -1,494 -1,495 -2,496 -1,497 0.5,498 -0.435,499 2,501 -1,502 -1,503 -2.202,504 -1,505 0.037,506 26.5,507 1.06,508 12,509 0.48,510 14.5,511 0.58,512 25.324,513 1.013,514 30.248,515 0.605,516 22.821,517 0.913,518 4.813,519 0.193,520 6.75,521 0.27,522 0.308,523 1,524 0.517,525 1.32,526 0.871,527 1.406,528 0.593,529 1.151,530 0.528,531 1.145,532 0.817,533 1.092,534 0.527,535 1.052,536 0.862,537 1.156,538 1.068,539 1.188,540 0.84,541 1.127,542 1.113,543 0.965,544 0.902,545 1.081,546 0.788,547 1.237,548 0.85,549 1.343,550 1.117,551 1.23,552 0.973,553 1.146,554 0.95,555 1.253,556 0.937,557 0.976,558 1.078,559 1.134,560 1.248,561 1.019,562 1.259,563 0.899,564 0.761,565 0.881,566 0.788,567 0.926,568 8,569 0.107,570 3.556,571 0.341,572 0.096,573 5691,574 19342,575 1.795,576 50,577 13,578 6,580 2,581 3,582 1.685,583 1.604,584 3.282,585 0.352,586 1,588 86.61,589 1.732,590 3.39,591 4.223,592 4.463,593 4.703,594 4.703,595 2.697,596 4.054,597 4.614,598 3.438,599 1031.26,600 8.007,601 12587.5,603 1,604 1,605 282.193,606 1.757,607 4.498,608 0.32,609 0.01,610 0.102,611 0.066,612 0.048,613 0.031,614 0.02,615 0.017,616 0.014,617 0.005,618 0.633,619 0.33,620 1,621 2.384,622 120.339,623 0.041,624 -0.092,625 0.186,626 -0.063,627 -0.075,628 0.007,629 0.182,630 0.106,631 -0.007,632 0.155,633 0.001,634 -0.015,635 -0.033,636 -0.029,637 -0.112,638 -0.116,639 -0.005,640 0.125,641 0.076,642 -0.09,643 -0.029,644 0.018,645 -0.159,646 -0.067,647 0.035,648 -0.045,649 -0.001,650 0.134,651 -0.049,652 -0.019,653 -0.126,654 -0.17,655 -0.191,656 -0.22,657 -0.124,658 -0.242,659 -0.004,660 0.043,661 0.006,662 0.081,663 0.013,664 0.029,665 4.914,666 5.442,667 0.24,668 20.95,669 1.014,670 1.853,671 3.433,672 0.631,673 3.258,674 3.584,675 3.689,676 3.829,677 3.951,678 3.871,679 3.714,680 3.611,681 3.611,682 3.219,683 5.964,684 0.596,685 372.51,686 3.258,687 4.854} {0 CHEMBL1923954,1 4.225,2 6.492,3 45.255,4 10,5 9,6 1.679,7 4.34,8 3.754,9 6.332,10 3.899,11 2.907,12 9.409,13 2.881,14 4.022,15 6.143,16 3.784,17 2.796,18 3.177,19 9.031,20 2.741,21 3.561,22 5.438,23 2.51,24 2.611,25 7.169,26 3.239,27 4.856,28 2.964,29 1.969,30 5.101,31 1.954,32 3.118,33 2.272,34 4.657,35 2.714,36 1.718,37 2.427,38 4.815,39 1.709,40 3.051,41 4.408,42 1.647,43 2.06,44 4.299,45 1.76,46 4.311,47 3.638,48 0.951,49 2.438,50 2.196,51 1.243,52 0.714,53 0.655,54 0.001,55 -0.083,56 6.653,57 7.503,58 8.385,59 9.247,60 10.131,61 10.999,62 11.884,63 5.226,64 7.075,65 113.059,66 17,67 10,68 5.814,69 4.299,70 6.663,71 6.161,72 7.415,73 4.29,74 5.094,75 7.89,76 4.176,77 7.507,78 9.13,79 6.103,80 7.246,81 10.899,82 5.971,83 8.896,84 10.913,85 6.735,86 8.212,87 12.933,88 6.508,89 10.323,90 12.742,91 8.123,92 9.959,93 15.569,94 7.868,95 11.78,96 14.604,97 9.077,98 11.259,99 17.905,100 8.721,101 13.259,102 16.489,103 10.325,104 12.87,105 20.446,106 9.921,107 18.393,108 11.418,109 14.306,110 22.897,111 10.915,112 2.907,113 20.312,114 12.623,115 15.868,116 25.418,117 12.055,118 2.796,119 9.409,120 22.242,121 13.777,122 17.361,123 27.914,124 13.113,125 2.51,126 9.031,127 24.182,128 14.976,129 18.906,130 30.435,131 14.234,132 1.969,133 7.169,134 26.13,135 3.177,136 16.159,137 20.424,138 32.95,139 15.322,140 1.718,141 5.101,142 28.084,143 2.611,144 17.361,145 35.475,146 16.438,147 1.647,148 4.815,149 30.044,150 18.56,151 23.495,152 17.543,153 126.394,154 5.404,155 20.054,156 4.135,157 4.086,158 3.966,159 3.825,160 1.816,161 1.787,162 6.921,163 8.52,164 10.167,165 12.42,166 12.532,167 9.447,168 0.185,169 13.832,170 2,171 1.128,172 6.987,173 3.019,174 3.652,175 46.959,176 16,177 10,178 0.481,179 8.051,180 2.551,181 0.096,182 3.735,183 0.008,184 3.664,185 13.423,186 109.332,187 3.646,188 3.576,189 4.034,190 3.942,191 4.22,192 4.094,193 3.961,194 3.98,195 13.722,196 12.626,197 5,198 13.467,199 0.062,200 19.686,201 16.188,202 36.375,203 3.673,204 3.525,205 2.906,206 1.712,207 33.938,208 108.09,209 217.636,210 382.53,211 522.791,212 21.147,213 17.493,214 9.443,215 13.956,216 10.889,217 10.146,218 8.326,219 0.297,220 4.146,221 6.236,222 12.099,223 132.802,224 126.995,225 4.151,226 4.148,227 3.898,228 3.256,229 408.141,230 588.22,231 12.297,232 -0.085,233 150.876,234 0.959,235 0.926,236 0.913,237 0.066,238 132.802,239 132.802,240 3.763,241 6,242 1.054,243 0.129,244 3.55,245 3.251,246 1.578,247 10.821,248 7.225,249 0.379,250 4.077,251 4.192,252 3.748,253 5.122,254 4.647,255 4.822,256 4.027,257 5.85,258 4.964,259 5.172,260 6.062,261 5.122,262 5.368,263 4.203,264 4.088,265 5.027,266 5.223,267 4.185,268 4.13,269 4.043,270 5.008,271 5.218,272 4.038,273 4.102,274 6.262,275 4.002,276 4.94,277 5.137,278 4.092,279 6.142,280 5.012,281 5.27,282 3.831,283 4.074,284 6.192,285 3.921,286 0.083,287 0.795,288 15.394,289 5.845,290 19.897,291 7.427,292 0.357,293 1.265,294 25.156,295 9.794,296 71.787,297 12.81,298 0.382,299 1.644,300 37.313,301 13.238,302 77.659,303 17.072,304 0.577,305 1.759,306 119.883,307 18.002,308 0.964,309 1.603,310 200.895,311 15.276,312 0.685,313 1.504,314 40.63,315 12.464,316 15.429,317 0.474,318 1.478,319 37.595,320 111.201,321 15.274,322 0.747,323 1.496,324 38.968,325 12.59,326 166.132,327 17.009,328 81,329 41,330 0.261,331 0.55,332 0.701,333 0.777,334 0.826,335 0.838,336 3.374,337 1.126,338 -3.46,339 -3.44,340 -3.29,341 37.5,342 4,343 1,344 2,346 7,347 2,348 1,351 14,352 1,354 3,355 2,357 6,358 1,359 6,360 4,361 11,363 3,364 4,366 9,367 1,368 8,370 5,371 10,372 4,374 2,375 12,376 8,377 9,378 1266,379 17.894,380 17.894,381 17.894,382 17.894,383 17.894,384 16.157,385 10.842,386 10.421,387 18.072,388 14.222,389 14.222,390 14.222,391 14.222,392 14.222,393 11.437,394 9.029,395 4.836,396 14.517,397 4.229,398 2.477,399 1.561,400 1.103,401 0.804,402 0.732,403 4.031,406 615,407 5.148,409 173.095,411 146.952,412 43.582,414 1,415 0.83,416 1,417 1,418 1,419 1,420 0.98,421 61,422 303,423 4.866,424 4.688,425 7.321,426 4.34,427 3.415,428 4.734,429 1.956,430 12.578,431 3.146,432 4.235,433 3.161,434 0.248,435 2.846,436 3.498,438 2.478,439 2.459,440 2.546,441 1.787,442 2.675,443 1.683,444 2.884,445 2.618,446 1.618,447 1.997,448 4.002,449 1.618,450 2.841,451 1.618,452 2.34,453 1.344,454 1.865,455 2.967,456 1.338,457 2.159,458 1.4,459 3.512,460 1.712,461 0.729,462 0.992,463 1.82,464 0.71,465 2.056,466 1.126,467 3.171,468 1.635,469 0.637,470 0.79,471 1.513,472 0.633,473 1.832,474 0.711,475 2.934,476 1.448,477 0.345,478 0.495,479 0.494,480 0.377,481 1.032,482 0.418,483 2.665,484 0.702,485 -0.294,486 -0.319,487 -0.775,488 -0.29,489 1,490 0.172,491 2.478,492 0.532,493 -0.446,494 -0.632,495 -1.105,496 -0.431,497 0.896,498 -0.324,499 2.227,500 0.382,501 -0.618,502 -0.906,503 -1.6,504 -0.618,505 0.034,506 32.25,507 1.152,508 16,509 0.571,510 16.25,511 0.58,512 28.057,513 1.002,514 32.133,515 0.574,516 27.122,517 0.969,518 5.815,519 0.208,520 7.32,521 0.261,522 0.248,524 0.51,525 1.338,526 0.893,527 1.293,528 0.606,529 1.079,530 0.509,531 1.136,532 0.853,533 1.03,534 0.526,535 1.013,536 0.82,537 1.166,538 1.061,539 1.146,540 0.812,541 1.094,542 1.248,543 0.953,544 0.902,545 1.206,546 0.82,547 1.529,548 1.021,549 1.436,550 1.144,551 1.431,552 0.97,553 1.761,554 1.17,555 1.81,556 0.926,557 1.457,558 1.193,559 1.266,560 1.211,561 1.473,562 1.173,563 1.08,564 0.772,565 0.904,566 0.768,567 0.888,568 8,569 0.148,570 3.778,571 0.37,572 0.184,573 8447,574 22910,575 1.888,576 50,577 13,578 9,580 2,581 3,582 1.714,583 1.706,584 3.4,585 0.247,588 88.367,589 1.578,590 3.33,591 4.246,592 4.704,593 5.003,594 5.075,595 2.856,596 4.352,597 4.778,598 3.564,599 1347.37,600 8.331,601 17752.4,603 1,604 1,605 325.212,606 1.734,607 4.685,608 0.276,609 0.008,610 0.092,611 0.057,612 0.051,613 0.029,614 0.019,615 0.019,616 0.012,617 0.007,618 0.569,619 0.33,620 1,621 2.235,622 140.145,623 0.072,624 -0.057,625 0.192,626 -0.035,627 -0.094,628 0.028,629 0.251,630 0.09,631 0.03,632 0.176,633 0.02,634 0.038,635 -0.021,636 -0.01,637 -0.084,638 -0.088,639 0.037,640 0.145,641 0.089,642 -0.088,643 0.048,644 0.05,645 -0.138,646 -0.047,647 0.145,648 -0.038,649 -0.244,650 0.042,651 -0.097,652 -0.206,653 -0.206,654 -0.173,655 -0.22,656 -0.19,657 -0.175,658 -0.203,659 -0.001,660 0.149,661 0.004,662 0.125,663 0.043,664 0.063,665 4.822,666 5.868,667 0.357,668 25.73,669 1.001,670 2.233,671 4.984,672 0.65,673 3.401,674 3.738,675 3.912,676 4.111,677 4.304,678 4.277,679 4.331,680 4.344,681 4.394,682 4.205,683 6.452,684 0.606,685 404.58,686 3.401,687 8} {0 CHEMBL1923955,1 4.272,2 6.505,3 44.506,4 10,5 9,6 1.919,7 4.34,8 3.755,9 6.332,10 3.9,11 2.909,12 9.411,13 2.882,14 4.036,15 6.143,16 3.788,17 2.798,18 3.46,19 9.031,20 2.747,21 3.911,22 5.577,23 2.618,24 3.169,25 7.639,26 3.415,27 5.087,28 3.204,29 2.217,30 6.141,31 2.184,32 3.235,33 2.455,34 4.846,35 2.732,36 1.718,37 2.481,38 5.065,39 1.739,40 3.118,41 4.529,42 1.707,43 2.427,44 4.307,45 1.76,46 4.408,47 3.642,48 0.875,49 2.375,50 2.187,51 1.25,52 0.835,53 0.686,54 -0.027,55 -0.082,56 6.774,57 7.627,58 8.504,59 9.366,60 10.244,61 11.111,62 11.99,63 5.436,64 7.163,65 142.79,66 20,67 10,68 5.916,69 4.307,70 6.749,71 6.298,72 7.501,73 4.29,74 5.139,75 7.923,76 4.176,77 7.632,78 9.2,79 6.192,80 7.404,81 10.945,82 6.073,83 9.01,84 10.972,85 6.758,86 8.266,87 12.956,88 6.538,89 10.426,90 12.791,91 8.188,92 10.069,93 15.591,94 7.951,95 11.872,96 14.644,97 9.105,98 11.302,99 17.917,100 8.762,101 13.341,102 16.523,103 10.369,104 12.936,105 20.455,106 9.987,107 18.421,108 11.443,109 14.335,110 22.902,111 10.956,112 2.909,113 20.335,114 12.653,115 15.906,116 25.422,117 12.106,118 2.798,119 9.411,120 22.261,121 13.797,122 17.38,123 27.916,124 13.15,125 2.618,126 9.031,127 24.197,128 14.995,129 18.927,130 30.437,131 14.273,132 2.217,133 7.639,134 26.142,135 3.46,136 16.173,137 20.435,138 32.951,139 15.354,140 1.718,141 6.141,142 28.094,143 3.169,144 17.374,145 35.476,146 16.469,147 1.707,148 5.065,149 30.051,150 18.57,151 23.501,152 17.569,153 140.897,154 5.405,155 20.054,156 4.135,157 4.087,158 3.966,159 3.869,160 1.926,161 1.896,162 7.04,163 8.638,164 10.28,165 12.529,166 13.642,167 9.507,168 0.187,169 14.943,170 3,171 1.118,172 8.149,173 3.393,174 3.752,175 43.981,176 21,177 15,178 0.483,179 8.008,180 2.508,181 0.985,182 3.86,183 -0.01,184 3.988,185 15.904,186 120.278,187 3.727,188 3.669,189 4.111,190 4.031,191 4.278,192 4.166,193 4.082,194 4.07,195 14.221,196 13.683,197 6,198 14.967,199 0.056,200 21.715,201 17.984,202 38.614,203 3.822,204 3.562,205 2.906,206 1.776,207 36.411,208 96.326,209 230.237,210 403.25,211 553.538,212 22.683,213 18.302,214 10.144,215 15.618,216 11.59,217 11.732,218 9.553,219 0.267,220 4.22,221 6.252,222 13.282,223 165.718,224 159.911,225 4.152,226 4.149,227 3.939,228 3.408,229 466.121,230 671.97,231 21.59,232 -0.066,233 136.718,234 1.033,235 0.978,236 0.954,237 0.025,238 165.718,239 165.718,240 3.862,241 6,242 1.27,243 0.035,244 3.663,245 3.406,246 1.583,247 12.161,248 7.695,249 0.515,250 4.113,251 4.215,252 3.835,253 5.205,254 4.653,255 4.802,256 4.113,257 5.905,258 4.967,259 5.16,260 6.096,261 5.092,262 5.312,263 4.247,264 4.143,265 5.037,266 5.224,267 4.259,268 4.191,269 4.112,270 5.022,271 5.22,272 4.15,273 4.177,274 6.297,275 4.092,276 4.996,277 5.192,278 4.166,279 6.235,280 5.016,281 5.253,282 3.958,283 4.118,284 6.279,285 4,286 0.087,287 0.796,288 14.151,289 5.816,290 19.528,291 7.006,292 0.345,293 1.285,294 22.897,295 9.739,296 67.779,297 12.191,298 0.39,299 1.702,300 35.619,301 13.508,302 76.702,303 16.66,304 0.553,305 1.837,306 115.287,307 17.293,308 0.934,309 1.722,310 196.361,311 15.45,312 0.628,313 1.647,314 39.538,315 13.174,316 15.423,317 0.482,318 1.617,319 38.604,320 109.992,321 15.828,322 0.779,323 1.577,324 37.92,325 13.083,326 175.387,327 16.719,328 41,329 46,330 0.257,331 0.545,332 0.699,333 0.811,334 0.846,335 0.857,336 3.472,337 1.054,338 -3.89,339 -3.85,340 -3.65,341 42.1,342 2,343 1,344 1,346 12,347 3,348 1,351 18,352 1,354 3,355 2,357 6,358 1,359 6,360 5,361 11,363 5,364 4,366 11,367 1,368 11,370 5,371 10,372 5,374 4,375 14,376 8,377 14,378 1745,379 20.463,380 20.463,381 20.463,382 20.463,383 20.463,384 17.975,385 13.059,386 12.083,387 20.641,388 16.222,389 16.222,390 16.222,391 16.222,392 16.222,393 12.404,394 10.175,395 5.657,396 16.517,397 4.25,398 2.477,399 1.524,400 0.84,401 0.623,402 0.553,403 4.149,406 797,407 4.899,409 319.455,411 164.951,412 45.046,414 1,415 0.83,416 0.8,417 0.5,418 1,419 1,420 0.88,421 67,422 377,423 4.866,424 4.688,425 7.321,426 4.34,427 3.415,428 4.734,429 1.956,430 12.578,431 3.146,432 4.235,433 3.189,434 0.248,435 2.846,436 3.612,438 2.6,439 2.672,440 2.58,441 1.964,442 2.714,443 1.709,444 2.978,445 2.618,446 1.618,447 2.049,448 4.262,449 1.618,450 2.846,451 1.618,452 2.414,453 1.41,454 1.998,455 3.016,456 1.414,457 2.841,458 1.491,459 3.59,460 2.34,461 1.344,462 1.905,463 2.966,464 1.337,465 2.5,466 1.4,467 3.506,468 2,469 1,470 1.5,471 2.136,472 1,473 2.159,474 1.125,475 3.247,476 1.712,477 0.729,478 0.992,479 1.825,480 0.71,481 2.09,482 1,483 3.171,484 1.636,485 0.637,486 0.792,487 1.513,488 0.633,489 1.839,490 0.711,491 2.947,492 1.47,493 0.373,494 0.541,495 0.559,496 0.405,497 1.137,498 0.452,499 2.742,500 0.857,501 -0.144,502 -0.173,503 -0.358,504 -0.143,505 0.028,506 40.25,507 1.298,508 22,509 0.71,510 18.25,511 0.589,512 27.057,513 0.873,514 33.633,515 0.59,516 34.256,517 1.105,518 7.798,519 0.252,520 6.999,521 0.226,522 0.156,524 0.502,525 1.195,526 0.84,527 1.172,528 0.596,529 0.964,530 0.526,531 1.121,532 0.888,533 1.035,534 0.556,535 1.027,536 0.844,537 1.12,538 1.079,539 1.118,540 0.838,541 1.072,542 1.327,543 1.054,544 0.991,545 1.292,546 0.921,547 1.461,548 1.044,549 1.405,550 1.14,551 1.38,552 0.951,553 1.656,554 1.155,555 1.656,556 0.943,557 1.426,558 1.132,559 1.196,560 1.158,561 1.443,562 1.096,563 1.251,564 0.772,565 0.855,566 0.712,567 0.848,568 7.5,569 0.202,570 3.778,571 0.444,572 0.294,573 12477,574 34575,575 1.986,576 45.6,577 6,578 14,580 2,581 3,582 1.739,583 1.833,584 3.559,585 0.193,588 90.224,589 1.583,590 3.356,591 4.308,592 4.993,593 5.21,594 5.28,595 3.071,596 4.632,597 4.926,598 3.721,599 1730.18,600 8.619,601 24753,603 1,605 332.475,606 1.615,607 4.862,608 0.227,609 0.007,610 0.082,611 0.049,612 0.048,613 0.026,614 0.019,615 0.017,616 0.012,617 0.009,618 0.496,619 0.33,620 1,621 0.873,622 161.269,623 0.069,624 -0.025,625 0.184,626 -0.022,627 -0.093,628 0.043,629 0.235,630 0.022,631 -0.022,632 0.149,633 -0.052,634 0.028,635 -0.044,636 -0.022,637 -0.089,638 -0.123,639 -0.013,640 0.061,641 0.02,642 -0.123,643 0.078,644 0.016,645 -0.12,646 -0.046,647 0.163,648 -0.018,649 -0.212,650 0.013,651 -0.093,652 -0.164,653 -0.169,654 -0.147,655 -0.156,656 -0.162,657 -0.143,658 -0.141,659 -0.023,660 0.142,661 0.046,662 0.176,663 0.009,664 0.11,665 4.858,666 5.981,667 0.516,668 30.66,669 1.003,670 2.66,671 7.074,672 0.677,673 3.526,674 3.85,675 4.06,676 4.263,677 4.477,678 4.431,679 4.5,680 4.533,681 4.595,682 4.466,683 7.105,684 0.639,685 438.59,686 3.526,687 7.854} {0 CHEMBL1923956,1 4.157,2 6.436,3 40.115,4 10,5 9,6 1.707,7 4.044,8 3.755,9 6.327,10 3.863,11 2.88,12 9.359,13 2.809,14 3.916,15 5.577,16 3.616,17 2.622,18 3.401,19 7.64,20 2.605,21 3.824,22 5.147,23 2.39,24 3.159,25 6.32,26 3.412,27 5.077,28 3.202,29 2.215,30 6.119,31 2.18,32 3.073,33 2.458,34 4.714,35 2.732,36 1.708,37 2.276,38 4.704,39 1.739,40 2.974,41 4.528,42 1.603,43 2.044,44 4.267,45 1.786,46 3.596,47 3.507,48 0.862,49 2.313,50 1.773,51 1.167,52 0.773,53 0.524,54 -0.093,55 -0.098,56 6.611,57 7.446,58 8.313,59 9.157,60 10.025,61 10.874,62 11.744,63 5.024,64 5.555,65 114.361,66 16,67 9,68 5.771,69 4.267,70 6.592,71 6.141,72 7.354,73 4.205,74 4.966,75 7.799,76 4.048,77 7.471,78 9.054,79 6.052,80 7.146,81 10.794,82 5.889,83 8.844,84 10.827,85 6.648,86 8.021,87 12.841,88 6.366,89 10.256,90 12.649,91 8.05,92 9.774,93 15.476,94 7.748,95 11.698,96 14.507,97 8.985,98 11.015,99 17.83,100 8.56,101 13.165,102 16.393,103 10.239,104 12.628,105 20.375,106 9.768,107 18.299,108 11.324,109 14.036,110 22.838,111 10.738,112 2.88,113 20.222,114 12.534,115 15.601,116 25.365,117 11.881,118 2.622,119 9.359,120 22.157,121 13.687,122 17.085,123 27.867,124 12.925,125 2.39,126 7.64,127 24.103,128 14.889,129 18.636,130 30.391,131 14.046,132 2.215,133 6.32,134 26.057,135 3.401,136 16.074,137 20.154,138 32.909,139 15.128,140 1.708,141 6.119,142 28.018,143 3.159,144 17.278,145 35.435,146 16.243,147 1.603,148 4.704,149 29.983,150 18.479,151 23.234,152 17.345,153 121.494,154 5.386,155 19.958,156 4.063,157 3.977,158 3.861,159 3.868,160 1.924,161 1.895,162 6.884,163 8.459,164 10.074,165 12.291,166 12.284,167 8.452,168 0.195,169 12.963,170 1,171 1.131,172 6.392,173 2.71,174 3.647,175 41.051,176 11,177 7,178 0.473,179 8.289,180 2.789,181 0.156,182 3.731,183 -0.013,184 3.285,185 10.792,186 104.044,187 3.576,188 3.528,189 3.939,190 3.872,191 4.092,192 3.995,193 3.954,194 3.934,195 11.911,196 11.176,197 4,198 13.252,199 0.063,200 19.173,201 15.562,202 33.79,203 3.648,204 3.438,205 2.687,206 1.706,207 32.267,208 115.658,209 206.314,210 368.66,211 495.166,212 20.114,213 16.448,214 8.814,215 13.652,216 10.285,217 9.811,218 7.875,219 0.264,220 4.121,221 6.216,222 11.86,223 141.265,224 135.457,225 4.085,226 4.069,227 3.931,228 3.387,229 435.463,230 624.48,231 13.464,232 -0.088,233 201.544,234 0.925,235 0.769,236 0.834,237 0.062,238 141.265,239 141.265,240 3.858,241 6,242 1.076,243 0.056,244 3.654,245 3.403,246 1.741,247 11.393,248 7.971,249 0.414,250 4.002,251 4.105,252 3.752,253 5.147,254 4.545,255 4.697,256 4.022,257 5.885,258 4.861,259 5.056,260 6.083,261 4.977,262 5.198,263 4.055,264 3.975,265 4.915,266 5.097,267 4.143,268 4.011,269 3.962,270 4.916,271 5.116,272 4.045,273 4.034,274 6.36,275 3.961,276 4.881,277 5.085,278 4.037,279 6.11,280 4.919,281 5.165,282 3.818,283 3.939,284 6.23,285 3.821,286 0.123,287 0.792,288 12.458,289 5.256,290 21.303,291 6.072,292 0.422,293 1.241,294 20.473,295 8.667,296 71.414,297 10.461,298 0.599,299 1.592,300 32.944,301 11.782,302 94.405,303 13.947,304 0.823,305 1.592,306 144.678,307 14.245,308 1.129,309 1.471,310 214.23,311 12.619,312 1.073,313 1.477,314 33.847,315 11.128,316 13.632,317 0.587,318 1.441,319 33.943,320 104.445,321 14.449,322 0.976,323 1.406,324 35.734,325 11.44,326 199.04,327 14.599,328 54,329 40,330 0.292,331 0.591,332 0.746,333 0.82,334 0.829,335 0.829,336 3.374,337 1.064,338 -3.55,339 -3.52,340 -3.36,341 39.2,342 2,343 1,344 1,346 9,347 1,348 2,351 11,352 1,354 3,355 2,357 6,358 1,359 6,360 1,361 7,363 3,364 3,366 7,367 1,368 9,370 4,371 8,372 3,374 2,375 8,376 6,377 9,378 1344,379 18.101,380 18.101,381 18.101,382 18.101,383 18.101,384 16.104,385 14.687,386 10.671,387 18.341,388 14.217,389 14.217,390 14.217,391 14.217,392 14.217,393 11.164,394 10.837,395 4.982,396 14.641,397 3.931,398 2.153,399 1.231,400 0.79,401 0.735,402 0.735,403 4.032,406 652,407 4.848,409 231.261,412 52.436,414 1,415 0.83,416 0.8,417 0.5,418 1,419 1,420 0.88,421 62.5,422 319,423 4.855,424 4.687,425 7.316,426 4.328,427 3.405,428 4.701,429 1.956,430 12.55,431 3.128,432 3.46,433 3.189,434 0.248,435 2.875,436 3.341,438 2.263,439 2.672,440 2.497,441 1.964,442 2.569,443 1.531,444 2.845,445 2.414,446 1.409,447 1.905,448 3.015,449 1.414,450 2.5,451 1.491,452 2,453 1,454 1.5,455 2.275,456 1,457 2.5,458 1.165,459 3.414,460 2,461 1,462 1.5,463 2.136,464 1,465 2.09,466 1,467 3.247,468 1.69,469 0.71,470 0.8,471 1.801,472 0.687,473 1.841,474 1,475 2.945,476 1.472,477 0.374,478 0.542,479 0.56,480 0.406,481 1.137,482 0.622,483 2.739,484 0.858,485 -0.14,486 -0.166,487 -0.346,488 -0.136,489 1.12,490 0.425,491 2.629,492 0.67,493 -0.222,494 -0.28,495 -0.49,496 -0.193,497 1,498 0.024,499 2.236,500 0.287,501 -0.712,502 -0.834,503 -1.655,504 -0.707,505 0.031,506 34.5,507 1.232,508 18,509 0.643,510 16.5,511 0.589,512 24.346,513 0.869,514 31.748,515 0.623,516 29.76,517 1.063,518 6.795,519 0.243,520 6.429,521 0.23,522 0.198,523 1,524 0.51,525 1.166,526 0.819,527 1.251,528 0.584,529 1.009,530 0.547,531 1.115,532 0.859,533 1.086,534 0.557,535 1.064,536 0.89,537 1.1,538 1.095,539 1.146,540 0.871,541 1.096,542 1.194,543 1.083,544 0.994,545 1.17,546 0.9,547 1.185,548 0.862,549 1.315,550 1.103,551 1.193,552 0.946,553 1.064,554 0.937,555 1.133,556 0.952,557 0.952,558 1.004,559 1.068,560 1.175,561 0.997,562 1.16,563 1.034,564 0.751,565 0.837,566 0.718,567 0.874,568 7.5,569 0.161,570 3.556,571 0.415,572 0.206,573 8841,574 29877,575 1.908,576 45.1,577 6,578 11,580 2,581 3,582 1.714,583 1.741,584 3.46,585 0.282,586 1,588 88.813,589 1.741,590 3.519,591 4.441,592 4.883,593 4.937,594 4.937,595 2.937,596 3.923,597 4.779,598 3.608,599 1363.98,600 8.328,601 18188.5,603 1,604 1,605 289.294,606 1.686,607 4.698,608 0.259,609 0.008,610 0.089,611 0.056,612 0.044,613 0.028,614 0.02,615 0.015,616 0.014,617 0.008,618 0.54,619 0.33,620 1,621 0.944,622 140.837,623 0.039,624 -0.05,625 0.178,626 -0.04,627 -0.076,628 0.03,629 0.166,630 0.033,631 -0.051,632 0.129,633 -0.071,634 -0.028,635 -0.059,636 -0.042,637 -0.108,638 -0.155,639 -0.028,640 0.031,641 0.011,642 -0.127,643 -0.002,644 -0.006,645 -0.139,646 -0.06,647 0.053,648 -0.02,649 0.03,650 0.106,651 -0.04,652 0.02,653 -0.093,654 -0.154,655 -0.117,656 -0.19,657 -0.095,658 -0.167,659 -0.029,660 0.047,661 0.054,662 0.144,663 -0.024,664 0.094,665 4.95,666 5.65,667 0.429,668 25.143,669 1.016,670 2.316,671 5.362,672 0.663,673 3.401,674 3.714,675 3.871,676 4.025,677 4.19,678 4.094,679 4.007,680 3.97,681 4.007,682 3.807,683 6.618,684 0.633,685 406.52,686 3.401,687 7.569} {0 CHEMBL1923957,1 4.264,2 6.485,3 43.121,4 10,5 9,6 1.796,7 4.528,8 3.755,9 6.535,10 4.063,11 3.076,12 10.31,13 3.034,14 4.03,15 6.326,16 3.85,17 2.866,18 3.401,19 9.352,20 2.797,21 3.827,22 5.447,23 2.432,24 3.168,25 7.151,26 3.566,27 5.141,28 3.332,29 2.377,30 6.302,31 2.256,32 3.265,33 2.461,34 5.008,35 2.912,36 1.92,37 2.412,38 5.638,39 1.901,40 3.071,41 4.714,42 1.671,43 2.318,44 4.703,45 1.839,46 4.539,47 4.152,48 0.964,49 2.792,50 1.839,51 1.354,52 0.79,53 0.621,54 -0.081,55 -0.087,56 6.806,57 7.667,58 8.552,59 9.421,60 10.306,61 11.178,62 12.063,63 5.468,64 6.379,65 113.932,66 21,67 11,68 5.953,69 4.703,70 6.806,71 6.315,72 7.553,73 4.369,74 5.215,75 8.005,76 4.229,77 7.661,78 9.265,79 6.236,80 7.437,81 11.031,82 6.083,83 9.05,84 11.046,85 6.847,86 8.363,87 13.052,88 6.603,89 10.477,90 12.871,91 8.255,92 10.133,93 15.686,94 7.987,95 11.932,96 14.729,97 9.199,98 11.411,99 18.009,100 8.841,101 13.409,102 16.61,103 10.452,104 13.028,105 20.54,106 10.054,107 18.51,108 11.538,109 14.453,110 22.977,111 11.054,112 3.076,113 20.424,114 12.743,115 16.014,116 25.486,117 12.202,118 2.866,119 10.31,120 22.349,121 13.89,122 17.5,123 27.969,124 13.267,125 2.432,126 9.352,127 24.284,128 15.083,129 19.041,130 30.478,131 14.394,132 2.377,133 7.151,134 26.226,135 3.401,136 16.259,137 20.553,138 32.981,139 15.487,140 1.92,141 6.302,142 28.174,143 3.168,144 17.453,145 35.495,146 16.607,147 1.671,148 5.638,149 30.128,150 18.643,151 23.611,152 17.715,153 145.494,154 5.389,155 19.958,156 4.073,157 4.054,158 4.082,159 4.034,160 1.941,161 1.918,162 7.06,163 8.66,164 10.302,165 12.598,166 13.826,167 9.326,168 0.184,169 14.505,170 4,171 1.13,172 7.685,173 3.156,174 3.655,175 42.966,176 9,177 7,178 0.473,179 8.207,180 2.707,181 0.141,182 3.733,183 -0.001,184 3.579,185 12.806,186 115.13,187 3.67,188 3.632,189 4.058,190 4.004,191 4.206,192 4.12,193 4.089,194 4.046,195 12.919,196 12.493,197 5,198 14.652,199 0.057,200 21.355,201 17.747,202 36.796,203 3.654,204 3.486,205 2.873,206 1.718,207 35.289,208 107.231,209 221.972,210 388.36,211 533.372,212 21.975,213 17.948,214 9.79,215 15.135,216 11.279,217 11.537,218 9.559,219 0.307,220 4.241,221 6.29,222 12.861,223 145.553,224 139.746,225 4.136,226 4.167,227 4.072,228 3.401,229 501.203,230 725.46,231 13.687,232 -0.087,233 205.895,234 0.938,235 0.777,236 0.84,237 0.061,238 145.553,239 145.553,240 3.969,241 9,242 1.153,243 0.01,244 3.679,245 3.453,246 1.765,247 12.226,248 8.101,249 0.485,250 4.097,251 4.202,252 3.851,253 5.239,254 4.641,255 4.789,256 4.151,257 5.96,258 4.945,259 5.136,260 6.156,261 5.067,262 5.281,263 4.186,264 4.11,265 5.019,266 5.208,267 4.224,268 4.123,269 4.066,270 5.008,271 5.213,272 4.15,273 4.132,274 6.419,275 4.061,276 4.979,277 5.183,278 4.138,279 6.214,280 5.017,281 5.257,282 3.974,283 4.046,284 6.337,285 3.946,286 0.141,287 0.879,288 12.912,289 5.461,290 22.062,291 6.278,292 0.447,293 1.393,294 21.453,295 9.213,296 72.727,297 11.102,298 0.63,299 1.767,300 34.421,301 12.608,302 96.407,303 14.909,304 0.875,305 1.798,306 143.11,307 15.345,308 1.192,309 1.66,310 218.814,311 14.223,312 1.152,313 1.645,314 36.516,315 12.072,316 14.904,317 0.662,318 1.607,319 36.555,320 107.302,321 15.728,322 1.07,323 1.571,324 38.804,325 12.494,326 205.577,327 15.758,328 54,329 47,330 0.289,331 0.625,332 0.787,333 0.853,334 0.859,335 0.859,336 3.472,337 1.025,338 -3.15,339 -3.15,340 -3.02,341 40,342 2,343 1,344 1,346 8,347 2,348 2,349 1,350 1,351 10,352 1,354 3,355 5,357 6,358 1,359 6,360 3,361 6,362 1,363 2,364 4,366 5,367 2,368 9,369 1,370 4,371 7,372 5,373 1,374 2,375 5,376 5,377 8,378 1677,379 20.256,380 20.256,381 20.256,382 20.256,383 20.256,384 17.853,385 14.687,386 11.726,387 20.55,388 16.183,389 16.183,390 16.183,391 16.183,392 16.183,393 12.459,394 10.837,395 5.446,396 16.695,397 4.016,398 1.964,399 0.973,400 0.573,401 0.537,402 0.537,403 4.145,406 800,407 4.95,408 82.188,409 222.33,410 152.431,412 55.211,414 1,415 0.83,416 0.8,417 0.5,418 1,419 1,420 0.88,421 69,422 379,423 4.855,424 4.687,425 7.316,426 4.328,427 3.405,428 4.701,429 1.956,430 12.55,431 3.128,432 4.474,433 3.242,434 0.248,435 3.045,436 3.409,438 2.376,439 2.875,440 2.816,441 2.255,442 2.695,443 1.701,444 3.045,445 2.569,446 1.602,447 2.271,448 4.266,449 1.531,450 2.952,451 1.786,452 2.518,453 1.546,454 1.952,455 3.701,456 1.501,457 2.632,458 1.546,459 3.585,460 2.15,461 1.156,462 1.683,463 2.742,464 1.147,465 2.5,466 1.2,467 3.519,468 2,469 1,470 1.5,471 2.275,472 1,473 2.172,474 1.164,475 3.414,476 1.692,477 0.711,478 0.942,479 1.817,480 0.687,481 1.996,482 1,483 3.152,484 1.639,485 0.658,486 0.795,487 1.465,488 0.641,489 1.832,490 0.728,491 2.935,492 1.393,493 0.314,494 0.467,495 0.474,496 0.337,497 1.12,498 0.614,499 2.722,500 0.753,501 -0.207,502 -0.249,503 -0.469,504 -0.179,505 0.031,506 39,507 1.258,508 20,509 0.645,510 19,511 0.613,512 27.756,513 0.895,514 34.548,515 0.628,516 34.044,517 1.098,518 7.63,519 0.246,520 7.078,521 0.228,522 0.179,523 1,524 0.545,525 1.158,526 0.803,527 1.194,528 0.58,529 0.957,530 0.563,531 1.108,532 0.837,533 1.05,534 0.549,535 1.018,536 0.887,537 1.098,538 1.08,539 1.133,540 0.859,541 1.08,542 1.198,543 1.118,544 1.017,545 1.161,546 0.949,547 1.129,548 0.866,549 1.296,550 1.117,551 1.156,552 0.99,553 1.018,554 0.923,555 1.1,556 0.949,557 0.926,558 0.998,559 1.034,560 1.164,561 0.992,562 1.135,563 1.088,564 0.749,565 0.843,566 0.732,567 0.87,568 8,569 0.255,570 4.444,571 0.496,572 0.3,573 12384,574 40223,575 1.967,576 43.6,577 6,578 10,579 1,580 3,581 3,582 1.739,583 1.797,584 3.553,585 0.908,588 97.073,589 1.765,590 3.817,591 4.808,592 5.208,593 5.245,594 5.245,595 3.048,596 4.607,597 4.928,598 3.714,599 1727.07,600 8.619,601 24729.1,603 1,604 1,605 317.975,606 1.681,607 4.851,608 0.242,609 0.009,610 0.095,611 0.058,612 0.04,613 0.029,614 0.018,615 0.015,616 0.014,617 0.009,618 0.529,619 0.33,620 1,621 0.9,622 161.286,623 0.018,624 -0.043,625 0.166,626 -0.023,627 -0.078,628 0.047,629 0.146,630 0.037,631 -0.027,632 0.124,633 -0.04,634 -0.033,635 -0.057,636 -0.037,637 -0.093,638 -0.174,639 -0.026,640 -0.024,641 -0.01,642 -0.133,643 0.011,644 -0.013,645 -0.143,646 -0.08,647 0.056,648 -0.05,649 0.06,650 0.097,651 -0.017,652 0.039,653 -0.053,654 -0.149,655 -0.078,656 -0.18,657 -0.072,658 -0.139,659 -0.032,660 0.052,661 0.066,662 0.142,663 -0.029,664 0.105,665 4.975,666 5.844,667 0.484,668 28.352,669 1.017,670 1.922,671 3.693,672 0.669,673 3.526,674 3.871,675 4.094,676 4.304,677 4.466,678 4.454,679 4.454,680 4.466,681 4.454,682 4.394,683 7.091,684 0.642,685 445.56,686 3.526,687 7.638} {0 CHEMBL1923958,1 3.969,2 6.27,3 33.13,4 9,5 8,6 1.264,7 4.026,8 3.752,9 6.324,10 3.849,11 2.866,12 9.337,13 2.796,14 3.826,15 5.16,16 3.349,17 2.396,18 3.161,19 6.333,20 2.281,21 3.393,22 5.095,23 2.3,24 2.433,25 6.103,26 3.071,27 4.711,28 2.714,29 1.686,30 4.696,31 1.723,32 2.948,33 1.954,34 4.462,35 2.569,36 1.602,37 1.94,38 4.125,39 1.531,40 2.5,41 3.509,42 1,43 1.5,44 2.275,45 1.165,46 3.414,47 2.92,48 0.831,49 2,50 1.542,51 1.049,52 0.53,53 0.306,54 -0.107,55 -0.074,56 6.347,57 7.182,58 8.055,59 8.901,60 9.776,61 10.628,62 11.504,63 4.619,64 4.924,65 75.805,66 12,67 8,68 5.541,69 2.275,70 6.392,71 5.892,72 7.155,73 4.111,74 4.868,75 7.706,76 3.937,77 7.247,78 8.886,79 5.849,80 6.901,81 10.685,82 5.647,83 8.645,84 10.686,85 6.553,86 7.935,87 12.787,88 6.239,89 10.081,90 12.533,91 7.904,92 9.609,93 15.427,94 7.548,95 11.545,96 14.411,97 8.903,98 10.951,99 17.804,100 8.435,101 13.032,102 16.315,103 10.14,104 12.531,105 20.356,106 9.611,107 18.236,108 11.261,109 13.994,110 22.827,111 10.626,112 2.866,113 20.171,114 12.469,115 15.548,116 25.357,117 11.758,118 2.396,119 9.337,120 22.117,121 13.641,122 17.059,123 27.862,124 12.831,125 2.3,126 6.333,127 24.071,128 14.846,129 18.607,130 30.388,131 13.952,132 1.686,133 6.103,134 26.032,135 3.161,136 16.042,137 20.138,138 32.907,139 15.051,140 1.602,141 4.696,142 27.998,143 2.433,144 17.25,145 35.433,146 16.171,147 1,148 4.125,149 29.968,150 18.457,151 23.225,152 17.284,153 95.253,154 5.381,155 19.957,156 4.062,157 3.974,158 3.733,159 3.656,160 1.761,161 1.714,162 6.632,163 8.213,164 9.838,165 12.048,166 9.784,167 6.944,168 0.198,169 10.462,171 1.142,172 4.603,173 2.076,174 3.467,175 35.023,176 3,177 2,178 0.466,179 8.542,180 3.042,181 -0.701,182 3.687,183 -0.062,184 1.729,185 2.99,186 79.425,187 3.304,188 3.259,189 3.649,190 3.592,191 3.805,192 3.722,193 3.556,194 3.585,195 8.646,196 8.107,197 2,198 10.252,199 0.081,200 14.754,201 11.74,202 26.267,203 3.501,204 3.393,205 2.675,206 1.54,207 25.214,208 111.829,209 164.936,210 296.04,211 394.203,212 16.294,213 13.355,214 6.719,215 10.596,216 8.19,217 7.608,218 5.827,219 0.293,220 3.936,221 6.078,222 9.084,223 96.989,224 91.181,225 4.082,226 4.064,227 3.802,228 2.983,229 360.911,230 516.99,231 4.267,232 -0.078,233 195.994,234 0.878,235 0.734,236 0.841,237 0.068,238 96.989,239 96.989,240 3.659,241 5,242 0.997,243 0.096,244 3.465,245 2.961,246 1.845,247 9.136,248 8.059,249 0.273,250 3.783,251 3.888,252 3.563,253 4.945,254 4.338,255 4.502,256 3.826,257 5.743,258 4.638,259 4.833,260 5.949,261 4.756,262 4.973,263 3.766,264 3.703,265 4.651,266 4.817,267 3.902,268 3.702,269 3.663,270 4.64,271 4.84,272 3.743,273 3.738,274 6.122,275 3.649,276 4.617,277 4.836,278 3.719,279 5.826,280 4.642,281 4.927,282 3.187,283 3.435,284 5.978,285 3.295,286 0.143,287 0.655,288 10.678,289 4.165,290 24.677,291 4.851,292 0.474,293 0.989,294 17.789,295 6.754,296 79.679,297 8.241,298 0.677,299 1.214,300 27.884,301 8.887,302 102.581,303 10.47,304 0.928,305 1.148,306 160.151,307 10.452,308 1.127,309 1.041,310 220.501,311 9.069,312 1.029,313 1.065,314 26.462,315 8.267,316 10.352,317 0.555,318 1.029,319 27.991,320 88.98,321 11.548,322 1.032,323 0.865,324 29.255,325 7.565,326 207.226,327 10.634,328 75,329 31,330 0.33,331 0.63,332 0.756,333 0.818,334 0.818,335 0.818,336 3.146,337 1.117,338 -2.34,339 -2.38,340 -2.34,341 34.1,342 3,344 1,346 4,348 2,351 4,352 1,354 3,355 2,357 6,358 1,359 4,361 4,363 1,364 3,366 3,367 1,368 6,370 2,371 4,375 2,376 2,377 2,378 660,379 13.67,380 13.67,381 13.67,382 13.67,383 13.67,384 12.424,385 12.47,386 7.862,387 13.919,388 10.717,389 10.717,390 10.717,391 10.717,392 10.717,393 8.688,394 9.692,395 3.613,396 11.145,397 3.513,398 1.839,399 1.135,400 0.787,401 0.787,402 0.787,403 3.772,405 1,406 390,407 4.69,409 87.241,412 47.953,413 1,414 1,415 1,416 1,417 1,418 1,419 1,420 1,421 50.5,422 201,423 4.855,424 4.687,425 7.316,426 4.328,427 3.405,428 4.701,429 1.956,430 12.55,431 3.127,432 3.401,433 3.125,434 0.248,435 2.875,436 3.277,438 2.233,439 2.46,440 2.271,441 1.786,442 2,443 1,444 2.059,445 1.69,446 0.709,447 0.798,448 1.786,449 0.687,450 1.831,451 1,452 1.416,453 0.307,454 0.455,455 0.421,456 0.336,457 1.12,458 0.619,459 2.629,460 0.671,461 -0.216,462 -0.269,463 -0.476,464 -0.185,465 1,466 0.361,467 2.262,468 0.475,469 -0.531,470 -0.598,471 -1.252,472 -0.526,473 0.767,474 -0.149,475 2,476 0.258,477 -0.774,478 -0.946,479 -2,480 -0.798,481 0.5,482 -0.392,483 2,485 -1,486 -1,487 -2.389,488 -1,489 0.497,490 -0.818,491 1.745,493 -1,494 -1.5,495 -2.956,496 -1,498 -1,499 1.651,501 -1,502 -1.538,503 -3,504 -1,505 0.038,506 25,507 1.136,508 12,509 0.545,510 13,511 0.591,512 19.129,513 0.87,514 26.348,515 0.643,516 21.119,517 0.96,518 4.825,519 0.219,520 5.343,521 0.243,522 0.304,523 1,524 0.528,525 1.295,526 0.835,527 1.395,528 0.603,529 1.094,530 0.554,531 1.139,532 0.805,533 1.072,534 0.554,535 1.022,536 0.935,537 1.108,538 1.103,539 1.152,540 0.895,541 1.075,542 1.25,543 1.108,544 0.969,545 1.22,546 0.847,547 1.213,548 0.837,549 1.44,550 1.172,551 1.239,552 0.987,553 0.932,554 0.951,555 1.002,556 1.022,557 0.736,558 1.056,559 1.1,560 1.336,561 0.761,562 1.31,563 0.945,564 0.639,565 0.695,566 0.557,567 0.779,568 7,569 0.066,570 3.556,571 0.242,572 0.056,573 3904,574 15757,575 1.792,576 46.3,577 6,578 6,580 2,581 4,582 1.65,583 1.6,584 3.139,585 0.438,586 1,587 1,588 75.646,589 1.845,590 3.519,591 4.223,592 4.571,593 4.571,594 4.571,595 2.613,596 3.823,597 4.429,598 3.27,599 755.395,600 7.637,601 8316.44,602 1,603 1,604 1,605 219.66,606 1.77,607 4.311,608 0.318,609 0.013,610 0.115,611 0.063,612 0.05,613 0.034,614 0.02,615 0.014,616 0.016,617 0.005,618 0.647,619 0.33,620 1,621 2.264,622 100.627,623 0.029,624 -0.105,625 0.195,626 -0.075,627 -0.082,628 0.01,629 0.167,630 0.101,631 -0.009,632 0.142,633 -0.002,634 -0.063,635 -0.05,636 -0.054,637 -0.082,638 -0.215,639 -0.011,640 0.022,641 0.046,642 -0.165,643 -0.059,644 0.001,645 -0.228,646 -0.069,647 0.005,648 -0.058,649 0.043,650 0.148,651 -0.083,652 0.018,653 -0.034,654 -0.211,655 -0.166,656 -0.315,657 -0.048,658 -0.271,659 0.013,660 0.033,661 0.112,662 0.166,663 -0.006,664 0.166,665 4.891,666 5.235,667 0.273,668 16.727,669 1.026,670 1.113,671 1.24,672 0.641,673 3.135,674 3.466,675 3.584,676 3.689,677 3.829,678 3.738,679 3.526,680 3.332,681 3.367,682 2.944,683 5.35,684 0.615,685 330.42,686 3.135,687 6.201} {0 CHEMBL1923959,1 4.13,2 6.416,3 43.502,4 10,5 9,6 1.52,7 4.033,8 3.754,9 6.327,10 3.859,11 2.876,12 9.357,13 2.804,14 3.827,15 5.439,16 3.503,17 2.517,18 3.167,19 7.173,20 2.481,21 3.558,22 5.139,23 2.386,24 2.591,25 6.3,26 3.087,27 4.729,28 2.963,29 1.968,30 4.886,31 1.952,32 3.037,33 2.272,34 4.647,35 2.676,36 1.651,37 2.053,38 4.661,39 1.684,40 2.884,41 4.311,42 1.6,43 1.865,44 4.002,45 1.786,46 3.514,47 3.414,48 0.937,49 2.375,50 1.782,51 1.16,52 0.652,53 0.493,54 -0.05,55 -0.106,56 6.466,57 7.295,58 8.168,59 9.009,60 9.883,61 10.731,62 11.605,63 4.686,64 5.014,65 84.63,66 13,67 9,68 5.652,69 4.002,70 6.491,71 5.98,72 7.255,73 4.205,74 4.913,75 7.761,76 4.016,77 7.323,78 8.972,79 5.948,80 6.937,81 10.74,82 5.742,83 8.708,84 10.759,85 6.621,86 7.952,87 12.814,88 6.302,89 10.133,90 12.593,91 7.976,92 9.623,93 15.451,94 7.623,95 11.588,96 14.461,97 8.953,98 10.958,99 17.817,100 8.488,101 13.066,102 16.354,103 10.189,104 12.536,105 20.365,106 9.668,107 18.268,108 11.296,109 13.996,110 22.833,111 10.67,112 2.876,113 20.197,114 12.501,115 15.55,116 25.361,117 11.802,118 2.517,119 9.357,120 22.137,121 13.666,122 17.06,123 27.865,124 12.866,125 2.386,126 7.173,127 24.087,128 14.867,129 18.608,130 30.39,131 13.985,132 1.968,133 6.3,134 26.045,135 3.167,136 16.058,137 20.139,138 32.908,139 15.079,140 1.651,141 4.886,142 28.008,143 2.591,144 17.264,145 35.434,146 16.196,147 1.6,148 4.661,149 29.975,150 18.469,151 23.226,152 17.305,153 106.992,154 5.387,155 19.958,156 4.067,157 3.979,158 3.925,159 3.693,160 1.798,161 1.748,162 6.744,163 8.316,164 9.932,165 12.151,166 11.174,167 8.828,168 0.194,169 12.883,170 1,171 1.134,172 5.654,173 2.564,174 3.592,175 46.401,176 8,177 4,178 0.487,179 8.214,180 2.714,181 0.434,182 3.734,183 0.015,184 3.42,185 11.695,186 97.687,187 3.509,188 3.435,189 3.885,190 3.786,191 4.066,192 3.931,193 3.846,194 3.842,195 11.887,196 10.66,197 4,198 12.181,199 0.068,200 17.283,201 13.874,202 32.472,203 3.617,204 3.415,205 2.687,206 1.673,207 30.238,208 131.395,209 200.847,210 357.08,211 481.827,212 19.948,213 16.395,214 8.168,215 12.672,216 9.961,217 8.924,218 6.953,219 0.287,220 4.089,221 6.169,222 11.073,223 102.728,224 96.92,225 4.082,226 4.063,227 3.833,228 3.256,229 377.483,230 540.73,231 5.664,232 -0.135,233 171.228,234 0.97,235 0.855,236 0.809,237 0.076,238 141.877,239 141.877,240 3.693,241 6,242 0.967,243 0.148,244 3.55,245 3.251,246 1.732,247 10,248 7.779,249 0.24,250 3.959,251 4.072,252 3.693,253 5.017,254 4.535,255 4.712,256 3.98,257 5.782,258 4.851,259 5.058,260 5.992,261 5.006,262 5.254,263 4.031,264 3.922,265 4.902,266 5.093,267 4.121,268 3.967,269 3.892,270 4.895,271 5.105,272 4.019,273 3.974,274 6.206,275 3.878,276 4.816,277 5.018,278 3.976,279 5.981,280 4.911,281 5.176,282 3.74,283 3.93,284 6.104,285 3.75,286 0.105,287 0.698,288 13.386,289 5.156,290 20.261,291 6.459,292 0.409,293 1.075,294 23.126,295 8.659,296 75.32,297 11.157,298 0.513,299 1.36,300 36.731,301 11.774,302 84.581,303 14.814,304 0.764,305 1.43,306 133.687,307 15.315,308 1.109,309 1.303,310 209.2,311 12.649,312 0.947,313 1.239,314 37.697,315 10.795,316 13.66,317 0.499,318 1.25,319 33.852,320 98.709,321 14.035,322 0.86,323 1.22,324 39.003,325 11.459,326 172.626,327 15.274,328 98,329 35,330 0.297,331 0.581,332 0.724,333 0.765,334 0.806,335 0.806,336 3.267,337 1.195,338 -3.2,339 -3.19,340 -3.07,341 34,342 4,343 1,344 2,346 4,348 2,351 7,352 1,354 3,355 2,357 6,358 1,359 6,361 7,363 1,364 3,366 7,367 1,368 6,370 4,371 8,372 2,375 7,376 7,377 6,378 994,379 15.532,380 15.532,381 15.532,382 15.532,383 15.532,384 14.286,385 12.444,386 9.009,387 15.846,388 12.217,389 12.217,390 12.217,391 12.217,392 12.217,393 10.198,394 9.67,395 4.16,396 12.792,397 3.912,398 2.253,399 1.42,400 1.18,401 0.94,402 0.94,403 3.898,404 1,405 1,406 486,407 5.099,409 102.534,412 44.746,414 1,415 0.83,416 1,417 1,418 1,419 1,420 0.98,421 55.333,422 250,423 4.855,424 4.687,425 7.316,426 4.328,427 3.405,428 4.701,429 1.956,430 12.55,431 3.127,432 3.401,433 3.161,434 0.248,435 2.898,436 3.298,438 2.141,439 2.462,440 2.279,441 1.789,442 2.543,443 1.435,444 2.5,445 2,446 1,447 1.5,448 2.275,449 1,450 2.056,451 1.166,452 1.69,453 0.709,454 0.799,455 1.796,456 0.685,457 1.833,458 1,459 2.93,460 1.45,461 0.346,462 0.497,463 0.495,464 0.378,465 1.12,466 0.629,467 2.629,468 0.703,469 -0.212,470 -0.256,471 -0.472,472 -0.14,473 1,474 0.388,475 2.477,476 0.595,477 -0.302,478 -0.338,479 -0.784,480 -0.295,481 0.896,482 -0.136,483 2.201,484 0.258,485 -0.761,486 -0.886,487 -2,488 -0.767,489 0.522,490 -0.339,491 2,492 0.048,493 -1,494 -1,495 -2,496 -0.888,497 0.5,498 -0.434,499 2,501 -1,502 -1,503 -2.202,504 -1,505 0.037,506 26.5,507 1.06,508 12,509 0.48,510 14.5,511 0.58,512 26.166,513 1.047,514 29.819,515 0.596,516 21.978,517 0.879,518 4.682,519 0.187,520 6.881,521 0.275,522 0.332,524 0.519,525 1.474,526 0.771,527 1.302,528 0.611,529 1.098,530 0.521,531 1.219,532 0.736,533 1,534 0.526,535 1.002,536 0.857,537 1.229,538 1.021,539 1.156,540 0.834,541 1.111,542 1.222,543 0.888,544 0.892,545 1.201,546 0.784,547 1.459,548 0.984,549 1.058,550 1.006,551 1.47,552 0.927,553 1.352,554 0.827,555 1.541,556 0.913,557 1.083,558 1.259,559 0.99,560 1.202,561 1.15,562 1.224,563 0.961,564 0.771,565 0.808,566 0.748,567 0.899,568 8,569 0.107,570 3.556,571 0.341,572 0.096,573 5691,574 19342,575 1.795,576 50,577 13,578 6,580 2,581 3,582 1.685,583 1.604,584 3.282,585 0.352,588 86.61,589 1.732,590 3.39,591 4.223,592 4.463,593 4.703,594 4.703,595 2.697,596 4.054,597 4.614,598 3.438,599 1031.26,600 8.007,601 12587.5,603 1,604 1,605 282.193,606 1.757,607 4.498,608 0.32,609 0.01,610 0.102,611 0.066,612 0.048,613 0.031,614 0.02,615 0.017,616 0.014,617 0.005,618 0.633,619 0.33,620 1,621 2.384,622 120.339,623 0.055,624 -0.106,625 0.141,626 -0.061,627 -0.091,628 0.007,629 0.224,630 0.097,631 0.032,632 0.183,633 0.02,634 0.002,635 -0.043,636 -0.02,637 -0.11,638 -0.122,639 0.013,640 0.085,641 0.074,642 -0.091,643 -0.027,644 0.094,645 -0.087,646 0.004,647 0.074,648 -0.03,649 -0.085,650 0.091,651 0.007,652 -0.137,653 -0.142,654 -0.224,655 -0.161,656 -0.214,657 -0.135,658 -0.237,659 0.001,660 0.124,661 0.02,662 0.121,663 0.031,664 0.047,665 4.806,666 5.492,667 0.24,668 20.95,669 1.01,670 1.971,671 3.884,672 0.649,673 3.258,674 3.584,675 3.689,676 3.829,677 3.951,678 3.871,679 3.714,680 3.611,681 3.611,682 3.219,683 5.964,684 0.605,685 388.96,686 3.258,687 7.509} {0 CHEMBL1923960,1 4.182,2 6.431,3 42.496,4 10,5 9,6 1.707,7 4.044,8 3.755,9 6.327,10 3.863,11 2.88,12 9.359,13 2.808,14 3.916,15 5.577,16 3.616,17 2.622,18 3.401,19 7.64,20 2.605,21 3.824,22 5.147,23 2.39,24 3.159,25 6.32,26 3.412,27 5.077,28 3.2,29 2.215,30 6.119,31 2.133,32 3.073,33 2.459,34 4.714,35 2.732,36 1.708,37 2.276,38 4.704,39 1.739,40 2.974,41 4.528,42 1.603,43 2.044,44 4.267,45 1.789,46 3.596,47 3.507,48 0.862,49 2.313,50 1.773,51 1.167,52 0.773,53 0.524,54 -0.064,55 -0.1,56 6.611,57 7.446,58 8.313,59 9.157,60 10.025,61 10.874,62 11.744,63 5.024,64 5.555,65 114.361,66 16,67 9,68 5.771,69 4.267,70 6.592,71 6.141,72 7.354,73 4.205,74 4.966,75 7.799,76 4.016,77 7.471,78 9.054,79 6.052,80 7.146,81 10.794,82 5.868,83 8.844,84 10.827,85 6.648,86 8.021,87 12.841,88 6.338,89 10.256,90 12.649,91 8.05,92 9.774,93 15.476,94 7.728,95 11.698,96 14.507,97 8.985,98 11.015,99 17.83,100 8.539,101 13.165,102 16.393,103 10.239,104 12.628,105 20.375,106 9.752,107 18.299,108 11.324,109 14.036,110 22.838,111 10.722,112 2.88,113 20.222,114 12.534,115 15.601,116 25.365,117 11.868,118 2.622,119 9.359,120 22.157,121 13.687,122 17.085,123 27.867,124 12.914,125 2.39,126 7.64,127 24.103,128 14.889,129 18.636,130 30.391,131 14.036,132 2.215,133 6.32,134 26.057,135 3.401,136 16.074,137 20.154,138 32.909,139 15.119,140 1.708,141 6.119,142 28.018,143 3.159,144 17.278,145 35.435,146 16.235,147 1.603,148 4.704,149 29.983,150 18.479,151 23.234,152 17.338,153 121.494,154 5.389,155 19.958,156 4.068,157 3.981,158 3.925,159 3.868,160 1.924,161 1.895,162 6.884,163 8.459,164 10.074,165 12.291,166 12.284,167 8.888,168 0.195,169 13.993,170 2,171 1.123,172 6.816,173 2.937,174 3.65,175 42.895,176 13,177 9,178 0.489,179 8.15,180 2.65,181 1.307,182 3.86,183 -0.005,184 3.744,185 14.018,186 108.632,187 3.602,188 3.541,189 3.974,190 3.891,191 4.133,192 4.015,193 3.982,194 3.945,195 12.559,196 11.757,197 5,198 13.681,199 0.061,200 19.313,201 15.67,202 34.71,203 3.658,204 3.444,205 2.866,206 1.708,207 32.711,208 106.42,209 213.449,210 377.8,211 512.575,212 21.484,213 17.204,214 8.869,215 14.334,216 10.663,217 10.51,218 8.18,219 0.256,220 4.168,221 6.187,222 12.228,223 135.644,224 129.837,225 4.084,226 4.066,227 3.931,228 3.391,229 435.463,230 624.48,231 14.904,232 -0.099,233 153.084,234 1.046,235 0.909,236 0.856,237 0.033,238 174.793,239 174.793,240 3.859,241 6,242 1.181,243 0.048,244 3.663,245 3.404,246 1.741,247 11.393,248 8.294,249 0.414,250 3.999,251 4.099,252 3.784,253 5.109,254 4.541,255 4.689,256 4.07,257 5.841,258 4.855,259 5.045,260 6.029,261 4.973,262 5.19,263 4.083,264 3.987,265 4.913,266 5.095,267 4.199,268 4.038,269 3.972,270 4.91,271 5.107,272 4.133,273 4.059,274 6.242,275 3.979,276 4.879,277 5.08,278 4.059,279 6.09,280 4.915,281 5.158,282 3.879,283 3.981,284 6.199,285 3.843,286 0.109,287 0.715,288 11.972,289 5.159,290 19.826,291 6.057,292 0.394,293 1.125,294 20.315,295 8.666,296 69.445,297 10.606,298 0.519,299 1.454,300 34.722,301 12.147,302 82.639,303 14.477,304 0.728,305 1.546,306 126.427,307 14.684,308 1.075,309 1.445,310 205.192,311 12.741,312 0.878,313 1.391,314 35.775,315 11.484,316 13.643,317 0.515,318 1.396,319 34.759,320 94.797,321 14.694,322 0.898,323 1.333,324 37.601,325 12.046,326 181.466,327 15.115,328 54,329 40,330 0.292,331 0.591,332 0.746,333 0.82,334 0.829,335 0.829,336 3.374,337 1.103,338 -3.66,339 -3.63,340 -3.45,341 39.2,342 2,343 1,344 1,346 9,347 1,348 2,351 11,352 1,354 3,355 2,357 6,358 1,359 6,360 1,361 7,363 3,364 3,366 9,367 1,368 9,370 4,371 8,372 3,374 2,375 9,376 7,377 11,378 1344,379 18.101,380 18.101,381 18.101,382 18.101,383 18.101,384 16.104,385 14.66,386 10.671,387 18.415,388 14.217,389 14.217,390 14.217,391 14.217,392 14.217,393 11.164,394 10.816,395 4.982,396 14.792,397 3.931,398 2.153,399 1.231,400 0.79,401 0.735,402 0.735,403 4.032,404 1,406 652,407 4.848,409 231.261,412 46.239,414 1,415 0.83,416 0.8,417 0.5,418 1,419 1,420 0.88,421 61.333,422 319,423 4.855,424 4.687,425 7.316,426 4.328,427 3.405,428 4.701,429 1.956,430 12.55,431 3.127,432 3.46,433 3.189,434 0.248,435 2.898,436 3.303,438 2.192,439 2.672,440 2.497,441 1.964,442 2.544,443 1.437,444 2.845,445 2.413,446 1.409,447 1.905,448 3.015,449 1.413,450 2.5,451 1.491,452 2,453 1,454 1.5,455 2.275,456 1,457 2.5,458 1.166,459 3.414,460 2,461 1,462 1.5,463 2.136,464 1,465 2.09,466 1,467 3.247,468 1.69,469 0.71,470 0.8,471 1.801,472 0.685,473 1.841,474 1,475 2.945,476 1.472,477 0.374,478 0.542,479 0.56,480 0.406,481 1.137,482 0.631,483 2.739,484 0.858,485 -0.14,486 -0.166,487 -0.346,488 -0.126,489 1.12,490 0.426,491 2.629,492 0.596,493 -0.222,494 -0.28,495 -0.49,496 -0.16,497 1,498 0.024,499 2.236,500 0.287,501 -0.712,502 -0.834,503 -1.655,504 -0.705,505 0.031,506 34.5,507 1.232,508 18,509 0.643,510 16.5,511 0.589,512 25.18,513 0.899,514 31.319,515 0.614,516 28.925,517 1.033,518 6.664,519 0.238,520 6.56,521 0.234,522 0.223,524 0.512,525 1.288,526 0.731,527 1.171,528 0.601,529 0.968,530 0.541,531 1.187,532 0.775,533 1.007,534 0.559,535 1.019,536 0.886,537 1.162,538 1.051,539 1.129,540 0.865,541 1.087,542 1.313,543 0.993,544 0.993,545 1.3,546 0.898,547 1.398,548 1.003,549 1.038,550 1.007,551 1.424,552 0.907,553 1.256,554 0.821,555 1.391,556 0.933,557 1.059,558 1.173,559 0.938,560 1.144,561 1.127,562 1.136,563 1.121,564 0.763,565 0.78,566 0.69,567 0.855,568 7.5,569 0.161,570 3.556,571 0.415,572 0.206,573 8841,574 29877,575 1.908,576 45.1,577 6,578 11,580 2,581 3,582 1.714,583 1.741,584 3.46,585 0.282,588 88.813,589 1.741,590 3.519,591 4.441,592 4.883,593 4.937,594 4.937,595 2.937,596 3.923,597 4.779,598 3.608,599 1363.98,600 8.328,601 18188.5,603 1,604 1,605 289.294,606 1.686,607 4.698,608 0.259,609 0.008,610 0.089,611 0.056,612 0.044,613 0.028,614 0.02,615 0.015,616 0.014,617 0.008,618 0.54,619 0.33,620 1,621 0.944,622 140.837,623 0.052,624 -0.057,625 0.134,626 -0.043,627 -0.091,628 0.029,629 0.206,630 0.035,631 -0.018,632 0.154,633 -0.054,634 -0.011,635 -0.067,636 -0.034,637 -0.11,638 -0.165,639 -0.028,640 0.004,641 0.004,642 -0.132,643 0.004,644 0.059,645 -0.068,646 0.011,647 0.093,648 -0.005,649 -0.05,650 0.055,651 0.014,652 -0.092,653 -0.104,654 -0.197,655 -0.099,656 -0.183,657 -0.1,658 -0.163,659 -0.026,660 0.125,661 0.057,662 0.182,663 -0.009,664 0.109,665 4.842,666 5.689,667 0.429,668 25.143,669 1.012,670 2.427,671 5.888,672 0.681,673 3.401,674 3.714,675 3.871,676 4.025,677 4.19,678 4.094,679 4.007,680 3.97,681 4.007,682 3.807,683 6.618,684 0.641,685 422.97,686 3.401,687 7.854} {0 CHEMBL1923961,1 4.286,2 6.48,3 45.438,4 10,5 9,6 1.796,7 4.528,8 3.755,9 6.535,10 4.063,11 3.076,12 10.31,13 3.034,14 4.03,15 6.326,16 3.85,17 2.866,18 3.401,19 9.352,20 2.795,21 3.827,22 5.447,23 2.432,24 3.168,25 7.151,26 3.566,27 5.141,28 3.295,29 2.377,30 6.302,31 2.14,32 3.265,33 2.462,34 5.008,35 2.912,36 1.92,37 2.412,38 5.638,39 1.901,40 3.071,41 4.714,42 1.671,43 2.318,44 4.703,45 1.839,46 4.539,47 4.152,48 0.964,49 2.792,50 1.839,51 1.354,52 0.79,53 0.621,54 -0.054,55 -0.092,56 6.806,57 7.667,58 8.552,59 9.421,60 10.306,61 11.178,62 12.063,63 5.468,64 6.379,65 113.932,66 21,67 11,68 5.953,69 4.703,70 6.806,71 6.315,72 7.553,73 4.369,74 5.215,75 8.005,76 4.203,77 7.661,78 9.265,79 6.236,80 7.437,81 11.031,82 6.066,83 9.05,84 11.046,85 6.847,86 8.363,87 13.052,88 6.581,89 10.477,90 12.871,91 8.255,92 10.133,93 15.686,94 7.972,95 11.932,96 14.729,97 9.199,98 11.411,99 18.009,100 8.825,101 13.409,102 16.61,103 10.452,104 13.028,105 20.54,106 10.041,107 18.51,108 11.538,109 14.453,110 22.977,111 11.042,112 3.076,113 20.424,114 12.743,115 16.014,116 25.486,117 12.193,118 2.866,119 10.31,120 22.349,121 13.89,122 17.5,123 27.969,124 13.259,125 2.432,126 9.352,127 24.284,128 15.083,129 19.041,130 30.478,131 14.386,132 2.377,133 7.151,134 26.226,135 3.401,136 16.259,137 20.553,138 32.981,139 15.481,140 1.92,141 6.302,142 28.174,143 3.168,144 17.453,145 35.495,146 16.602,147 1.671,148 5.638,149 30.128,150 18.643,151 23.611,152 17.71,153 145.494,154 5.392,155 19.958,156 4.076,157 4.055,158 4.083,159 4.035,160 1.941,161 1.918,162 7.06,163 8.66,164 10.302,165 12.598,166 13.826,167 9.762,168 0.184,169 15.535,170 5,171 1.123,172 8.11,173 3.383,174 3.658,175 44.595,176 11,177 9,178 0.486,179 8.082,180 2.582,181 1.292,182 3.925,183 0.006,184 4.038,185 16.301,186 119.719,187 3.693,188 3.643,189 4.089,190 4.02,191 4.243,192 4.138,193 4.114,194 4.056,195 13.488,196 13.052,197 6,198 15.081,199 0.055,200 21.494,201 17.855,202 37.716,203 3.662,204 3.489,205 3.094,206 1.72,207 35.733,208 99.229,209 229.107,210 397.5,211 550.781,212 23.346,213 18.704,214 9.845,215 15.817,216 11.657,217 12.237,218 9.864,219 0.298,220 4.283,221 6.263,222 13.223,223 139.933,224 134.125,225 4.135,226 4.167,227 4.071,228 3.408,229 501.203,230 725.46,231 15.118,232 -0.099,233 156.44,234 1.053,235 0.907,236 0.861,237 0.035,238 179.081,239 179.081,240 3.973,241 9,242 1.279,243 0.002,244 3.689,245 3.458,246 1.765,247 12.226,248 8.4,249 0.485,250 4.094,251 4.196,252 3.88,253 5.204,254 4.638,255 4.783,256 4.193,257 5.919,258 4.94,259 5.126,260 6.105,261 5.064,262 5.274,263 4.21,264 4.121,265 5.017,266 5.206,267 4.276,268 4.148,269 4.075,270 5.003,271 5.205,272 4.229,273 4.154,274 6.309,275 4.077,276 4.976,277 5.178,278 4.158,279 6.196,280 5.014,281 5.251,282 4.026,283 4.083,284 6.309,285 3.966,286 0.126,287 0.801,288 12.41,289 5.363,290 20.614,291 6.251,292 0.417,293 1.273,294 21.214,295 9.187,296 70.494,297 11.216,298 0.55,299 1.621,300 36.104,301 12.925,302 83.98,303 15.41,304 0.781,305 1.744,306 125.91,307 15.734,308 1.138,309 1.634,310 209.077,311 14.342,312 0.959,313 1.56,314 38.396,315 12.436,316 14.907,317 0.59,318 1.562,319 37.33,320 97.934,321 15.97,322 0.991,323 1.499,324 40.561,325 13.088,326 188.751,327 16.252,328 54,329 47,330 0.289,331 0.625,332 0.787,333 0.853,334 0.859,335 0.859,336 3.472,337 1.06,338 -3.26,339 -3.25,340 -3.11,341 40,342 2,343 1,344 1,346 8,347 2,348 2,349 1,350 1,351 10,352 1,354 3,355 5,357 6,358 1,359 6,360 3,361 6,362 1,363 2,364 4,366 7,367 2,368 9,369 1,370 4,371 7,372 5,373 1,374 2,375 6,376 6,377 10,378 1677,379 20.256,380 20.256,381 20.256,382 20.256,383 20.256,384 17.853,385 14.66,386 11.726,387 20.624,388 16.183,389 16.183,390 16.183,391 16.183,392 16.183,393 12.459,394 10.816,395 5.446,396 16.846,397 4.016,398 1.964,399 0.973,400 0.573,401 0.537,402 0.537,403 4.145,404 1,406 800,407 4.95,408 82.188,409 222.33,410 152.431,412 48.957,414 0.83,415 0.83,416 0.8,417 0.5,418 1,419 1,420 0.85,421 67.833,422 379,423 4.855,424 4.687,425 7.316,426 4.328,427 3.405,428 4.701,429 1.956,430 12.55,431 3.127,432 4.474,433 3.242,434 0.248,435 3.045,436 3.406,438 2.374,439 2.898,440 2.816,441 2.255,442 2.695,443 1.701,444 3.045,445 2.544,446 1.602,447 2.271,448 4.266,449 1.501,450 2.952,451 1.789,452 2.518,453 1.546,454 1.952,455 3.701,456 1.435,457 2.632,458 1.546,459 3.585,460 2.15,461 1.156,462 1.683,463 2.742,464 1.147,465 2.5,466 1.2,467 3.519,468 2,469 1,470 1.5,471 2.275,472 1,473 2.172,474 1.165,475 3.414,476 1.691,477 0.711,478 0.942,479 1.817,480 0.685,481 1.996,482 1,483 3.152,484 1.639,485 0.658,486 0.795,487 1.465,488 0.641,489 1.832,490 0.728,491 2.935,492 1.393,493 0.314,494 0.467,495 0.474,496 0.336,497 1.12,498 0.623,499 2.722,500 0.752,501 -0.207,502 -0.249,503 -0.469,504 -0.14,505 0.031,506 39,507 1.258,508 20,509 0.645,510 19,511 0.613,512 28.62,513 0.923,514 34.119,515 0.62,516 33.18,517 1.07,518 7.499,519 0.242,520 7.209,521 0.233,522 0.202,524 0.555,525 1.269,526 0.721,527 1.123,528 0.598,529 0.921,530 0.562,531 1.175,532 0.76,533 0.979,534 0.552,535 0.979,536 0.884,537 1.156,538 1.04,539 1.119,540 0.853,541 1.074,542 1.314,543 1.025,544 1.017,545 1.291,546 0.947,547 1.323,548 0.999,549 1.035,550 1.029,551 1.379,552 0.953,553 1.192,554 0.813,555 1.349,556 0.932,557 1.024,558 1.152,559 0.914,560 1.137,561 1.123,562 1.114,563 1.183,564 0.762,565 0.787,566 0.706,567 0.853,568 8,569 0.255,570 4.444,571 0.496,572 0.3,573 12384,574 40223,575 1.967,576 43.6,577 6,578 10,579 1,580 3,581 3,582 1.739,583 1.797,584 3.553,585 0.908,588 97.073,589 1.765,590 3.817,591 4.808,592 5.208,593 5.245,594 5.245,595 3.048,596 4.607,597 4.928,598 3.714,599 1727.07,600 8.619,601 24729.1,605 317.975,606 1.681,607 4.851,608 0.242,609 0.009,610 0.095,611 0.058,612 0.04,613 0.029,614 0.018,615 0.015,616 0.014,617 0.009,618 0.529,619 0.33,620 0.88,621 0.9,622 161.286,623 0.028,624 -0.044,625 0.126,626 -0.025,627 -0.093,628 0.045,629 0.181,630 0.037,631 0.001,632 0.148,633 -0.027,634 -0.019,635 -0.067,636 -0.029,637 -0.097,638 -0.187,639 -0.03,640 -0.04,641 -0.02,642 -0.14,643 0.017,644 0.041,645 -0.073,646 -0.014,647 0.092,648 -0.035,649 -0.011,650 0.051,651 0.03,652 -0.068,653 -0.056,654 -0.185,655 -0.067,656 -0.173,657 -0.072,658 -0.136,659 -0.029,660 0.122,661 0.066,662 0.177,663 -0.013,664 0.118,665 4.867,666 5.883,667 0.484,668 28.352,669 1.013,670 2.029,671 4.115,672 0.686,673 3.526,674 3.871,675 4.094,676 4.304,677 4.466,678 4.454,679 4.454,680 4.466,681 4.454,682 4.394,683 7.091,684 0.65,685 462.01,686 3.526,687 7.886} {0 CHEMBL1923962,1 4.101,2 6.431,3 42.126,4 10,5 9,6 1.52,7 4.033,8 3.754,9 6.327,10 3.86,11 2.876,12 9.357,13 2.807,14 3.827,15 5.439,16 3.505,17 2.517,18 3.167,19 7.173,20 2.484,21 3.558,22 5.139,23 2.386,24 2.591,25 6.3,26 3.087,27 4.729,28 2.963,29 1.968,30 4.886,31 1.953,32 3.037,33 2.272,34 4.647,35 2.676,36 1.651,37 2.053,38 4.661,39 1.684,40 2.884,41 4.311,42 1.6,43 1.865,44 4.002,45 1.732,46 3.514,47 3.414,48 0.937,49 2.375,50 1.782,51 1.16,52 0.652,53 0.493,54 -0.015,55 -0.135,56 6.466,57 7.295,58 8.168,59 9.009,60 9.883,61 10.731,62 11.605,63 4.686,64 5.014,65 93.455,66 13,67 9,68 5.652,69 4.002,70 6.491,71 5.98,72 7.255,73 4.205,74 4.913,75 7.761,76 4.079,77 7.323,78 8.972,79 5.948,80 6.937,81 10.74,82 5.793,83 8.708,84 10.759,85 6.621,86 7.952,87 12.814,88 6.364,89 10.133,90 12.593,91 7.976,92 9.623,93 15.451,94 7.674,95 11.588,96 14.461,97 8.953,98 10.958,99 17.817,100 8.541,101 13.066,102 16.354,103 10.189,104 12.536,105 20.365,106 9.714,107 18.268,108 11.296,109 13.996,110 22.833,111 10.712,112 2.876,113 20.197,114 12.501,115 15.55,116 25.361,117 11.839,118 2.517,119 9.357,120 22.137,121 13.666,122 17.06,123 27.865,124 12.9,125 2.386,126 7.173,127 24.087,128 14.867,129 18.608,130 30.39,131 14.014,132 1.968,133 6.3,134 26.045,135 3.167,136 16.058,137 20.139,138 32.908,139 15.105,140 1.651,141 4.886,142 28.008,143 2.591,144 17.264,145 35.434,146 16.219,147 1.6,148 4.661,149 29.975,150 18.469,151 23.226,152 17.327,153 106.992,154 5.383,155 19.958,156 4.07,157 3.985,158 3.742,159 3.696,160 1.801,161 1.751,162 6.744,163 8.316,164 9.932,165 12.151,166 11.174,167 8.751,168 0.194,169 12.475,170 1,171 1.135,172 5.411,173 2.523,174 3.6,175 45.703,176 10,177 4,178 0.479,179 8.13,180 2.63,181 1.047,182 3.721,183 -0.019,184 3.242,185 10.508,186 97.923,187 3.536,188 3.457,189 3.907,190 3.805,191 4.094,192 3.958,193 3.821,194 3.876,195 11.954,196 10.648,197 4,198 11.967,199 0.07,200 17.497,201 14.04,202 33.375,203 3.63,204 3.442,205 2.687,206 1.679,207 30.938,208 128.16,209 202.107,210 359.17,211 484.9,212 19.448,213 16.261,214 8.449,215 12.384,216 9.895,217 8.635,218 6.786,219 0.292,220 4.025,221 6.191,222 10.909,223 111.238,224 105.431,225 4.087,226 4.072,227 3.836,228 3.256,229 352.692,230 503.65,231 6.397,232 -0.154,233 137.209,234 0.985,235 0.969,236 0.99,237 0.026,238 111.238,239 111.238,240 3.696,241 6,242 0.976,243 0.124,244 3.546,245 3.251,246 1.583,247 10,248 6.954,249 0.24,250 4.007,251 4.129,252 3.649,253 5.034,254 4.586,255 4.779,256 3.909,257 5.781,258 4.886,259 5.099,260 5.99,261 5.072,262 5.331,263 4.078,264 3.958,265 4.959,266 5.166,267 4.038,268 3.997,269 3.914,270 4.91,271 5.121,272 3.889,273 4.002,274 6.139,275 3.893,276 4.895,277 5.101,278 4.003,279 6.087,280 4.945,281 5.218,282 3.646,283 3.949,284 6.101,285 3.769,286 0.084,287 0.747,288 15.47,289 5.467,290 19.709,291 7.192,292 0.368,293 1.152,294 24.929,295 8.974,296 72.476,297 12.068,298 0.376,299 1.46,300 35.675,301 11.812,302 75.952,303 15.627,304 0.593,305 1.539,306 121.604,307 16.539,308 1.011,309 1.378,310 205.027,311 13.855,312 0.63,313 1.314,314 37.428,315 11.109,316 14.354,317 0.514,318 1.334,319 36.031,320 115.84,321 14.538,322 0.731,323 1.294,324 36.672,325 11.223,326 160.555,327 15.672,328 98,329 35,330 0.268,331 0.555,332 0.728,333 0.766,334 0.804,335 0.804,336 3.267,337 1.187,338 -2.93,339 -2.94,340 -2.84,341 34,342 5,343 1,344 2,346 4,347 1,348 1,351 10,352 1,354 3,355 2,357 6,358 1,359 6,361 9,363 2,364 3,366 7,367 1,368 6,370 4,371 9,372 3,374 1,375 9,376 7,377 6,378 994,379 15.532,380 15.532,381 15.532,382 15.532,383 15.532,384 14.286,385 13.268,386 9.009,387 15.71,388 12.217,389 12.217,390 12.217,391 12.217,392 12.217,393 10.198,394 10.5,395 4.16,396 12.516,397 4.145,398 2.45,399 1.43,400 1.203,401 0.977,402 0.977,403 3.898,405 1,406 486,407 5.099,409 102.534,412 41.709,413 1,414 1,415 0.83,416 1,417 1,418 1,419 1,420 0.98,421 55,422 250,423 4.855,424 4.687,425 7.316,426 4.328,427 3.405,428 4.701,429 1.956,430 12.55,431 3.129,432 3.401,433 3.161,434 0.248,435 2.569,436 3.385,438 2.382,439 2.452,440 2.279,441 1.787,442 2.595,443 1.588,444 2.5,445 2,446 1,447 1.5,448 2.275,449 1,450 2.056,451 1.146,452 1.691,453 0.709,454 0.799,455 1.796,456 0.688,457 1.833,458 1,459 2.93,460 1.45,461 0.346,462 0.497,463 0.495,464 0.378,465 1.12,466 0.5,467 2.629,468 0.764,469 -0.212,470 -0.256,471 -0.472,472 -0.204,473 1,474 0.35,475 2.477,476 0.698,477 -0.302,478 -0.338,479 -0.784,480 -0.298,481 0.896,482 -0.29,483 2.201,484 0.26,485 -0.761,486 -0.886,487 -2,488 -0.772,489 0.522,490 -0.391,491 2,492 0.048,493 -1,494 -1,495 -2,496 -1,497 0.5,498 -0.451,499 2,501 -1,502 -1,503 -2.202,504 -1,505 0.037,506 26.25,507 1.05,508 12,509 0.48,510 14.25,511 0.57,512 26.271,513 1.051,514 30.033,515 0.567,516 21.874,517 0.875,518 4.65,519 0.186,520 6.913,521 0.277,522 0.32,524 0.518,525 1.48,526 0.934,527 1.411,528 0.616,529 1.18,530 0.506,531 1.182,532 0.842,533 1.052,534 0.521,535 1.026,536 0.838,537 1.271,538 1.1,539 1.232,540 0.834,541 1.173,542 1.238,543 0.964,544 0.927,545 1.184,546 0.815,547 1.574,548 0.945,549 1.375,550 1.051,551 1.48,552 0.932,553 1.63,554 1.216,555 1.686,556 0.984,557 1.47,558 1.185,559 1.249,560 1.185,561 1.487,562 1.219,563 0.995,564 0.777,565 0.899,566 0.787,567 0.921,568 8,569 0.107,570 3.556,571 0.341,572 0.096,573 5691,574 15862,575 1.795,576 52.8,577 16,578 6,580 2,581 3,582 1.685,583 1.604,584 3.282,585 0.312,586 1,588 83.915,589 1.583,590 3.278,591 4.298,592 4.525,593 4.751,594 4.751,595 2.697,596 4.054,597 4.614,598 3.438,599 1031.26,600 8.007,601 12587.5,603 1,604 1,605 303.58,606 1.757,607 4.498,608 0.32,609 0.01,610 0.102,611 0.066,612 0.048,613 0.031,614 0.02,615 0.017,616 0.014,617 0.005,618 0.633,619 0.33,620 1,621 2.384,622 120.339,623 0.073,624 -0.102,625 0.2,626 -0.06,627 -0.096,628 0.005,629 0.262,630 0.123,631 0.038,632 0.188,633 0.037,634 0.034,635 -0.041,636 -0.017,637 -0.141,638 -0.084,639 -0.008,640 0.135,641 0.054,642 -0.071,643 0.021,644 0.109,645 -0.136,646 -0.004,647 0.118,648 -0.008,649 -0.23,650 0.025,651 -0.143,652 -0.195,653 -0.237,654 -0.152,655 -0.246,656 -0.18,657 -0.204,658 -0.237,659 0.014,660 0.127,661 -0.011,662 0.095,663 0.047,664 0.024,665 4.748,666 5.535,667 0.24,668 20.95,669 1.001,670 1.703,671 2.9,672 0.63,673 3.258,674 3.584,675 3.689,676 3.829,677 3.951,678 3.871,679 3.714,680 3.611,681 3.611,682 3.219,683 5.964,684 0.584,685 368.55,686 3.258,687 7.553} {0 CHEMBL1923963,1 4.155,2 6.445,3 41.789,4 10,5 9,6 1.707,7 4.044,8 3.755,9 6.327,10 3.863,11 2.88,12 9.359,13 2.811,14 3.916,15 5.577,16 3.617,17 2.622,18 3.401,19 7.64,20 2.606,21 3.824,22 5.147,23 2.39,24 3.159,25 6.32,26 3.412,27 5.077,28 3.202,29 2.215,30 6.119,31 2.183,32 3.073,33 2.448,34 4.714,35 2.732,36 1.708,37 2.276,38 4.704,39 1.739,40 2.974,41 4.528,42 1.603,43 2.044,44 4.267,45 1.732,46 3.596,47 3.507,48 0.862,49 2.313,50 1.773,51 1.167,52 0.773,53 0.524,54 -0.027,55 -0.129,56 6.611,57 7.446,58 8.313,59 9.157,60 10.025,61 10.874,62 11.744,63 5.024,64 5.555,65 123.186,66 16,67 9,68 5.771,69 4.267,70 6.592,71 6.141,72 7.354,73 4.205,74 4.966,75 7.799,76 4.079,77 7.471,78 9.054,79 6.052,80 7.146,81 10.794,82 5.914,83 8.844,84 10.827,85 6.648,86 8.021,87 12.841,88 6.398,89 10.256,90 12.649,91 8.05,92 9.774,93 15.476,94 7.774,95 11.698,96 14.507,97 8.985,98 11.015,99 17.83,100 8.589,101 13.165,102 16.393,103 10.239,104 12.628,105 20.375,106 9.793,107 18.299,108 11.324,109 14.036,110 22.838,111 10.762,112 2.88,113 20.222,114 12.534,115 15.601,116 25.365,117 11.902,118 2.622,119 9.359,120 22.157,121 13.687,122 17.085,123 27.867,124 12.945,125 2.39,126 7.64,127 24.103,128 14.889,129 18.636,130 30.391,131 14.063,132 2.215,133 6.32,134 26.057,135 3.401,136 16.074,137 20.154,138 32.909,139 15.144,140 1.708,141 6.119,142 28.018,143 3.159,144 17.278,145 35.435,146 16.258,147 1.603,148 4.704,149 29.983,150 18.479,151 23.234,152 17.359,153 121.494,154 5.384,155 19.958,156 4.071,157 3.987,158 3.861,159 3.868,160 1.925,161 1.895,162 6.884,163 8.459,164 10.074,165 12.291,166 12.284,167 8.811,168 0.195,169 13.585,170 2,171 1.125,172 6.573,173 2.897,174 3.658,175 43.557,176 15,177 9,178 0.481,179 8.074,180 2.574,181 1.931,182 3.734,183 -0.041,184 3.566,185 12.715,186 108.869,187 3.626,188 3.561,189 3.994,190 3.907,191 4.159,192 4.039,193 3.96,194 3.976,195 12.868,196 11.862,197 5,198 13.467,199 0.062,200 19.527,201 15.836,202 35.614,203 3.669,204 3.466,205 2.85,206 1.717,207 33.411,208 103.882,209 214.708,210 379.89,211 515.648,212 20.984,213 17.07,214 9.15,215 14.045,216 10.596,217 10.222,218 8.014,219 0.26,220 4.109,221 6.208,222 12.188,223 144.154,224 138.347,225 4.089,226 4.075,227 3.931,228 3.399,229 410.672,230 587.4,231 15.686,232 -0.124,233 123.629,234 1.051,235 1.014,236 1.022,237 -0.022,238 144.154,239 144.154,240 3.859,241 6,242 1.192,243 0.038,244 3.655,245 3.404,246 1.598,247 11.393,248 7.455,249 0.414,250 4.045,251 4.155,252 3.744,253 5.124,254 4.593,255 4.758,256 4.006,257 5.839,258 4.89,259 5.086,260 6.027,261 5.041,262 5.273,263 4.128,264 4.021,265 4.97,266 5.167,267 4.123,268 4.066,269 3.992,270 4.925,271 5.123,272 4.017,273 4.085,274 6.178,275 3.993,276 4.954,277 5.158,278 4.083,279 6.186,280 4.949,281 5.2,282 3.798,283 4,284 6.196,285 3.86,286 0.088,287 0.764,288 14.321,289 5.567,290 19.398,291 6.896,292 0.357,293 1.205,294 23.129,295 9.205,296 69.039,297 11.796,298 0.384,299 1.55,300 34.249,301 12.328,302 74.789,303 15.478,304 0.571,305 1.661,306 116.764,307 16.293,308 0.98,309 1.523,310 201.828,311 14.176,312 0.571,313 1.465,314 36.756,315 11.912,316 14.523,317 0.523,318 1.49,319 37.232,320 115.211,321 15.19,322 0.763,323 1.402,324 36.161,325 11.887,326 169.871,327 15.733,328 54,329 40,330 0.265,331 0.565,332 0.736,333 0.805,334 0.826,335 0.826,336 3.374,337 1.096,338 -3.39,339 -3.37,340 -3.22,341 38.9,342 3,343 1,344 1,346 9,347 2,348 1,351 14,352 1,354 3,355 2,357 6,358 1,359 6,360 1,361 9,363 4,364 3,366 9,367 1,368 9,370 4,371 9,372 4,374 3,375 11,376 7,377 11,378 1344,379 18.101,380 18.101,381 18.101,382 18.101,383 18.101,384 16.104,385 15.485,386 10.671,387 18.279,388 14.217,389 14.217,390 14.217,391 14.217,392 14.217,393 11.164,394 11.645,395 4.982,396 14.516,397 4.156,398 2.353,399 1.325,400 0.908,401 0.783,402 0.783,403 4.032,406 652,407 4.848,409 231.261,412 43.152,414 1,415 0.83,416 1,417 0.5,418 1,419 1,420 0.9,421 61,422 319,423 4.855,424 4.687,425 7.316,426 4.328,427 3.405,428 4.701,429 1.956,430 12.55,431 3.129,432 3.46,433 3.189,434 0.248,435 2.672,436 3.389,438 2.387,439 2.569,440 2.497,441 1.964,442 2.597,443 1.589,444 2.845,445 2.414,446 1.409,447 1.905,448 3.015,449 1.414,450 2.5,451 1.491,452 2,453 1,454 1.5,455 2.275,456 1,457 2.5,458 1.146,459 3.414,460 2,461 1,462 1.5,463 2.136,464 1,465 2.09,466 1,467 3.247,468 1.691,469 0.71,470 0.8,471 1.801,472 0.688,473 1.841,474 1,475 2.945,476 1.472,477 0.374,478 0.542,479 0.56,480 0.406,481 1.137,482 0.511,483 2.739,484 0.859,485 -0.14,486 -0.166,487 -0.346,488 -0.138,489 1.12,490 0.381,491 2.629,492 0.759,493 -0.222,494 -0.28,495 -0.49,496 -0.216,497 1,498 0.017,499 2.236,500 0.287,501 -0.712,502 -0.834,503 -1.655,504 -0.708,505 0.031,506 34.25,507 1.223,508 18,509 0.643,510 16.25,511 0.58,512 25.284,513 0.903,514 31.533,515 0.584,516 28.821,517 1.029,518 6.632,519 0.237,520 6.592,521 0.235,522 0.21,524 0.51,525 1.299,526 0.873,527 1.26,528 0.605,529 1.039,530 0.524,531 1.15,532 0.874,533 1.045,534 0.551,535 1.03,536 0.864,537 1.203,538 1.114,539 1.188,540 0.862,541 1.135,542 1.321,543 1.064,544 1.011,545 1.272,546 0.911,547 1.504,548 0.962,549 1.334,550 1.039,551 1.428,552 0.902,553 1.518,554 1.193,555 1.521,556 0.991,557 1.437,558 1.108,559 1.171,560 1.119,561 1.453,562 1.122,563 1.165,564 0.767,565 0.845,566 0.718,567 0.866,568 7.5,569 0.161,570 3.556,571 0.415,572 0.206,573 8841,574 25239,575 1.908,576 48.1,577 9,578 11,580 2,581 3,582 1.714,583 1.741,584 3.46,585 0.247,588 86.314,589 1.598,590 3.402,591 4.43,592 4.847,593 4.972,594 4.972,595 2.937,596 3.923,597 4.779,598 3.608,599 1363.98,600 8.328,601 18188.5,603 1,604 1,605 310.764,606 1.686,607 4.698,608 0.259,609 0.008,610 0.089,611 0.056,612 0.044,613 0.028,614 0.02,615 0.015,616 0.014,617 0.008,618 0.54,619 0.33,620 1,621 0.944,622 140.837,623 0.069,624 -0.055,625 0.191,626 -0.038,627 -0.095,628 0.028,629 0.247,630 0.062,631 -0.002,632 0.162,633 -0.021,634 0.022,635 -0.065,636 -0.03,637 -0.141,638 -0.12,639 -0.045,640 0.055,641 -0.007,642 -0.105,643 0.05,644 0.078,645 -0.114,646 0.004,647 0.136,648 0.017,649 -0.196,650 -0.013,651 -0.138,652 -0.151,653 -0.2,654 -0.126,655 -0.18,656 -0.15,657 -0.172,658 -0.169,659 -0.007,660 0.123,661 0.038,662 0.152,663 0.015,664 0.083,665 4.784,666 5.71,667 0.429,668 25.143,669 1.004,670 2.159,671 4.66,672 0.66,673 3.401,674 3.714,675 3.871,676 4.025,677 4.19,678 4.094,679 4.007,680 3.97,681 4.007,682 3.807,683 6.618,684 0.619,685 402.56,686 3.401,687 7.745} {0 CHEMBL1923964,1 3.808,2 6.277,3 34.857,4 6,5 3,6 1.136,7 4.01,8 3.746,9 6.145,10 3.779,11 2.805,12 8.929,13 2.701,14 3.557,15 5.432,16 3.491,17 2.503,18 2.587,19 7.146,20 2.47,21 3.053,22 4.662,23 1.967,24 2.057,25 4.843,26 2.884,27 4.311,28 2.676,29 1.648,30 4.002,31 1.684,32 2.057,33 1.787,34 3.518,35 1.709,36 0.733,37 0.81,38 1.862,39 0.705,40 1.837,41 2.849,42 0.348,43 0.499,44 0.496,45 0.662,46 2.48,47 2.208,48 0.85,49 1.875,50 1.52,51 0.5,52 0.449,53 0.313,54 -0.152,55 -0.069,56 6.08,57 6.858,58 7.722,59 8.517,60 9.374,61 10.18,62 11.033,63 3.664,64 2.398,65 53.915,66 8,67 7,68 5.303,69 0.496,70 6.111,71 5.628,72 6.889,73 4.007,74 4.691,75 7.361,76 3.889,77 6.978,78 8.579,79 5.617,80 6.466,81 10.192,82 5.485,83 8.364,84 10.325,85 6.33,86 7.626,87 12.095,88 6.122,89 9.782,90 12.103,91 7.601,92 9.136,93 14.589,94 7.365,95 11.222,96 13.902,97 8.555,98 10.523,99 16.739,100 8.248,101 12.68,102 15.715,103 9.725,104 11.997,105 19.124,106 9.375,107 17.54,108 10.779,109 13.451,110 21.378,111 10.365,112 2.805,113 19.372,114 11.918,115 14.927,116 23.727,117 11.454,118 2.503,119 8.929,120 21.212,121 13.017,122 16.401,123 26.027,124 12.492,125 1.967,126 7.146,127 23.057,128 14.15,129 17.883,130 28.366,131 13.571,132 1.648,133 4.843,134 24.906,135 2.587,136 15.271,137 19.365,138 30.688,139 14.633,140 0.733,141 4.002,142 26.759,143 2.057,144 16.406,145 33.027,146 15.712,147 0.348,148 1.862,149 28.615,150 17.539,151 22.336,152 16.787,153 75.563,154 5.133,155 17.073,156 3.943,157 3.82,158 3.734,159 3.671,160 1.761,161 1.719,162 6.368,163 7.885,164 9.444,165 11.599,166 8.789,167 7.272,168 0.197,169 10.172,171 1.147,172 3.383,173 1.616,174 3.513,175 34.683,176 4,178 0.472,179 8.364,180 2.864,182 3.55,183 -0.119,184 1.179,185 1.39,186 73.104,187 3.251,188 3.165,189 3.588,190 3.484,191 3.755,192 3.62,193 3.349,194 3.364,195 8.296,196 7.982,197 1,198 8.967,199 0.093,200 13.119,201 10.231,202 25.853,203 3.546,204 3.256,205 2.499,206 1.594,207 23.884,208 147.683,209 160.728,210 286.55,211 383.937,212 15.465,213 12.952,214 6.368,215 9.49,216 8.186,217 4.947,218 4.17,219 0.279,220 3.615,221 5.856,222 7.472,223 66.962,224 61.155,225 3.997,226 3.988,227 3.805,228 2.969,229 261.613,230 361.72,232 -0.038,233 150.937,234 0.943,235 0.83,236 0.818,237 0.042,238 66.962,239 66.962,240 3.65,241 4,242 1.053,243 0.185,244 3.299,245 2.946,246 1.634,247 7.421,248 6.801,250 3.789,251 3.918,252 3.438,253 4.797,254 4.39,255 4.597,256 3.591,257 5.633,258 4.697,259 4.931,260 5.789,261 4.819,262 5.098,263 3.784,264 3.658,265 4.747,266 4.954,267 3.768,268 3.736,269 3.646,270 4.756,271 4.998,272 3.419,273 3.672,274 5.949,275 3.519,276 4.581,277 4.85,278 3.547,279 5.626,280 4.493,281 4.765,282 3.158,283 3.391,284 5.791,285 3.196,286 0.094,287 0.584,288 13.716,289 4.271,290 19.311,291 5.775,292 0.408,293 0.846,294 22.65,295 6.713,296 75.891,297 9.365,298 0.559,299 1.012,300 28.535,301 7.986,302 96.921,303 11.618,304 0.549,305 1.046,306 101.64,307 12.452,308 0.942,309 0.981,310 184.183,311 11.068,312 0.779,313 0.892,314 31.269,315 7.914,316 11.213,317 0.433,318 0.781,319 27.999,320 89.937,321 10.435,322 0.665,323 0.668,324 24.507,325 6.283,326 142.423,327 8.89,328 109,329 25,330 0.296,331 0.518,332 0.714,333 0.748,334 0.798,335 0.798,336 3.009,337 1.364,338 -1.39,339 -1.47,340 -1.53,341 27.9,342 4,343 1,344 2,345 1,351 5,352 1,354 3,355 2,357 2,358 1,359 4,361 7,363 1,364 1,366 3,367 1,368 4,370 2,371 4,372 2,375 4,376 4,378 462,379 11.232,380 11.232,381 11.232,382 11.232,383 11.232,384 10.648,385 9.678,386 6.538,387 11.347,388 8.8,389 8.8,390 8.8,391 8.8,392 8.8,393 7.744,394 8.69,395 3.015,396 9.001,397 3.792,398 2.564,399 1.483,400 1.297,401 1.018,402 1.018,403 3.6,406 255,407 5,412 34.861,414 1,415 1,416 1,417 1,418 1,419 1,420 1,421 43,422 141,423 4.643,424 4.317,425 6.581,426 4.133,427 3.185,428 4.431,429 1.956,430 10.502,431 3.019,432 3.167,433 3.161,434 0.248,435 2.443,436 2.962,438 1.952,439 2.271,440 1.865,441 1.272,442 1.453,443 0.38,444 1,445 0.702,446 -0.294,447 -0.317,448 -0.775,449 -0.289,450 0.896,451 0.366,452 0.267,453 -0.748,454 -0.821,455 -2,456 -0.718,457 0.549,458 -0.324,459 2,460 0.048,461 -1,462 -1,463 -2,464 -0.817,465 0.267,466 -0.43,467 2,469 -1,470 -1,471 -2.199,472 -1,473 0.168,474 -1,475 1.595,477 -1,478 -1.232,479 -2.389,480 -1,482 -1,483 1.495,485 -1,486 -1.281,487 -3,488 -1,490 -1,491 1.26,492 -0.208,493 -1,494 -1.855,495 -3,496 -1.047,497 -0.447,498 -1.061,499 1,500 -0.58,501 -1.6,502 -1.912,503 -4.443,504 -1.63,505 0.045,506 16.75,507 0.882,508 6,509 0.316,510 10.75,511 0.566,512 20.52,513 1.08,514 24.633,515 0.573,516 13.058,517 0.687,518 2.737,519 0.144,520 5.826,521 0.307,522 0.428,524 0.531,525 1.771,526 0.97,527 1.631,528 0.626,529 1.343,530 0.52,531 1.386,532 1.041,533 1.302,534 0.492,535 1.136,536 1.012,537 1.119,538 0.976,539 1.004,540 1.012,541 1.153,542 0.934,543 0.742,544 0.823,545 0.891,546 0.766,547 1.295,548 1.095,549 1.385,550 1.217,551 1.181,552 1.088,553 1.589,554 1.099,555 1.655,556 1.04,557 0.944,558 1.045,559 0.986,560 1.093,561 0.993,562 1.022,563 1.074,564 0.758,565 0.96,566 0.8,567 0.952,568 7,570 2,571 0.148,573 2310,574 7810,575 1.662,576 55.8,577 13,578 5,580 2,581 3,582 1.609,583 1.471,584 2.915,585 0.497,586 1,587 1,588 70.271,589 1.634,590 2.863,591 3.943,592 4.129,593 4.408,594 4.408,595 2.249,596 3.787,597 4.22,598 3.067,599 524.476,600 7.219,601 5371.05,603 1,605 233.329,606 1.714,607 4.065,608 0.389,610 0.08,611 0.082,612 0.056,613 0.019,614 0.026,615 0.02,616 0.012,618 0.684,619 0.5,620 1,621 2.01,622 82.477,623 0.068,624 -0.21,625 0.224,626 -0.112,627 -0.096,628 -0.036,629 0.251,630 0.003,631 -0.119,632 0.222,633 -0.025,634 -0.075,635 -0.112,636 -0.122,637 -0.153,638 -0.034,639 0.01,640 0.203,641 0.095,642 -0.042,643 0.048,644 -0.002,645 -0.195,646 -0.13,647 0.166,648 -0.116,649 -0.291,650 0.076,651 -0.196,652 -0.278,653 -0.052,654 -0.109,655 0.004,656 -0.077,657 -0.062,658 -0.026,659 0.016,660 0.114,661 -0.037,662 0.077,663 0.074,664 -0.031,665 4.395,666 5.016,668 13.385,669 1.007,670 0.161,671 0.026,672 0.601,673 2.944,674 3.258,675 3.178,676 3.332,677 3.332,678 2.89,679 2.833,680 2.565,681 1.946,683 4.886,684 0.555,685 292.45,686 2.944,687 6.081} {0 CHEMBL1923965,1 4.051,2 6.367,3 36.938,4 9,5 6,6 1.488,7 3.962,8 3.733,9 6.042,10 3.765,11 2.781,12 8.632,13 2.72,14 3.825,15 5.391,16 3.454,17 2.467,18 3.108,19 7.027,20 2.435,21 3.518,22 5.134,23 2.373,24 2.556,25 6.289,26 3.077,27 4.726,28 2.895,29 1.904,30 4.801,31 1.884,32 2.959,33 2.207,34 4.436,35 2.573,36 1.6,37 1.959,38 4.498,39 1.538,40 2.649,41 3.985,42 1.402,43 1.589,44 3.244,45 1.707,46 3.414,47 3.257,48 0.81,49 2.125,50 1.702,51 1.049,52 0.53,53 0.446,54 -0.124,55 -0.049,56 6.435,57 7.258,58 8.124,59 8.959,60 9.828,61 10.67,62 11.54,63 4.667,64 4.958,65 75.805,66 12,67 8,68 5.609,69 3.244,70 6.431,71 5.949,72 7.197,73 4.111,74 4.868,75 7.687,76 3.937,77 7.286,78 8.902,79 5.9,80 6.919,81 10.662,82 5.709,83 8.669,84 10.681,85 6.538,86 7.931,87 12.743,88 6.222,89 10.094,90 12.511,91 7.913,92 9.611,93 15.379,94 7.562,95 11.55,96 14.377,97 8.876,98 10.947,99 17.754,100 8.396,101 13.031,102 16.27,103 10.12,104 12.529,105 20.306,106 9.581,107 18.185,108 11.223,109 13.99,110 22.781,111 10.562,112 2.781,113 20.116,114 12.432,115 15.545,116 25.312,117 11.692,118 2.467,119 8.632,120 22.059,121 13.596,122 17.057,123 27.821,124 12.743,125 2.373,126 7.027,127 24.013,128 14.801,129 18.605,130 30.348,131 13.857,132 1.904,133 6.289,134 25.974,135 3.108,136 15.993,137 20.137,138 32.869,139 14.942,140 1.6,141 4.801,142 27.941,143 2.556,144 17.201,145 35.396,146 16.054,147 1.402,148 4.498,149 29.913,150 18.407,151 23.224,152 17.157,153 102.58,154 5.375,155 19.921,156 4.062,157 3.974,158 3.736,159 3.682,160 1.794,161 1.742,162 6.708,163 8.268,164 9.876,165 12.089,166 10.815,167 8.011,168 0.196,169 11.494,171 1.142,172 5.118,173 2.325,174 3.577,175 41.891,176 6,177 2,178 0.47,179 8.357,180 2.857,181 -0.679,182 3.716,183 -0.012,184 3.098,185 9.596,186 93.228,187 3.482,188 3.421,189 3.838,190 3.753,191 3.993,192 3.878,193 3.804,194 3.808,195 10.544,196 9.363,197 3,198 11.752,199 0.071,200 17.203,201 13.743,202 31.551,203 3.599,204 3.405,205 2.687,206 1.658,207 29.794,208 140.856,209 193.713,210 347.94,211 464.419,212 18.415,213 15.476,214 8.24,215 12.117,216 9.711,217 8.141,218 6.565,219 0.255,220 4.012,221 6.15,222 10.243,223 104.592,224 98.785,225 4.082,226 4.064,227 3.83,228 3.267,229 373.221,230 534.77,231 4.334,232 -0.066,233 201.083,234 0.913,235 0.797,236 0.968,237 0.026,238 104.592,239 104.592,240 3.683,241 5,242 0.846,243 0.122,244 3.527,245 3.264,246 1.732,247 10.04,248 7.45,249 0.24,250 3.963,251 4.079,252 3.658,253 5.052,254 4.539,255 4.719,256 3.91,257 5.827,258 4.854,259 5.079,260 6.029,261 4.95,262 5.19,263 3.959,264 3.874,265 4.873,266 5.071,267 4.055,268 3.91,269 3.855,270 4.878,271 5.091,272 3.935,273 3.93,274 6.306,275 3.835,276 4.831,277 5.041,278 3.916,279 6.033,280 4.828,281 5.071,282 3.7,283 3.878,284 6.095,285 3.734,286 0.118,287 0.77,288 13.775,289 5.162,290 22.597,291 6.436,292 0.435,293 1.175,294 22.887,295 8.455,296 78.355,297 10.91,298 0.623,299 1.442,300 35.242,301 11.055,302 100.07,303 14.091,304 0.822,305 1.385,306 152.877,307 13.95,308 1.094,309 1.294,310 209.409,311 12.173,312 1.082,313 1.296,314 36.997,315 10.386,316 13.334,317 0.731,318 1.245,319 34.428,320 149.204,321 13.131,322 0.781,323 1.262,324 32.535,325 10.208,326 157.612,327 13.695,328 84,329 34,330 0.297,331 0.583,332 0.755,333 0.836,334 0.836,335 0.836,336 3.266,337 1.165,338 -3.08,339 -3.08,340 -2.96,341 34,342 3,343 3,344 1,346 4,348 2,351 7,352 1,354 3,355 2,357 6,358 1,359 6,361 6,363 2,364 3,366 7,367 1,368 5,370 4,371 8,372 3,375 7,376 6,377 6,378 1013,379 15.903,380 15.903,381 15.903,382 15.903,383 15.903,384 14.656,385 12.47,386 9.457,387 16.146,388 12.209,389 12.209,390 12.209,391 12.209,392 12.209,393 10.185,394 9.692,395 4.315,396 12.635,397 3.912,398 2.244,399 1.241,400 0.765,401 0.765,402 0.765,403 3.902,405 1,406 488,407 5,409 102.651,412 50.591,413 1,414 0.83,415 0.83,416 1,417 1,418 1,419 1,420 0.95,421 56.5,422 251,423 4.854,424 4.687,425 7.311,426 4.319,427 3.398,428 4.701,429 1.956,430 12.526,431 3.106,432 3.399,433 3.157,434 0.248,435 2.875,436 3.329,438 2.254,439 2.297,440 2.279,441 1.787,442 2.419,443 1.416,444 2.5,445 2,446 1,447 1.5,448 2.275,449 1,450 2.049,451 1.076,452 1.808,453 0.82,454 0.886,455 1.501,456 0.804,457 1.902,458 1,459 2.857,460 1.466,461 0.353,462 0.515,463 0.497,464 0.388,465 1.12,466 0.634,467 2.629,468 0.717,469 -0.193,470 -0.226,471 -0.418,472 -0.167,473 1,474 0.4,475 2.476,476 0.689,477 -0.302,478 -0.334,479 -0.696,480 -0.296,481 0.896,482 -0.111,483 2.197,484 0.601,485 -0.368,486 -0.41,487 -0.785,488 -0.359,489 0.779,490 -0.308,491 2,492 0.067,493 -1,494 -1,495 -2,496 -1,497 0.5,498 -0.38,499 2,500 0.009,501 -1,502 -1.095,503 -2.204,504 -1,505 0.032,506 26.5,507 1.06,508 12,509 0.48,510 14.5,511 0.58,512 24.568,513 0.983,514 30.248,515 0.605,516 22.508,517 0.9,518 4.818,519 0.193,520 6.872,521 0.275,522 0.265,523 1,524 0.517,525 1.32,526 0.871,527 1.406,528 0.584,529 1.151,530 0.53,531 1.177,532 0.843,533 1.133,534 0.527,535 1.102,536 0.863,537 1.077,538 1.034,539 1.111,540 0.835,541 1.044,542 1.165,543 1.04,544 0.973,545 1.156,546 0.83,547 1.141,548 0.85,549 1.095,550 0.975,551 1.152,552 0.952,553 1.085,554 1.117,555 1.135,556 0.969,557 1.214,558 0.932,559 1.152,560 1.07,561 1.285,562 1.101,563 0.864,564 0.907,565 0.945,566 0.951,567 1.083,568 7.5,569 0.107,570 3.333,571 0.358,572 0.131,573 5783,574 19514,575 1.816,576 50,577 12,578 6,580 2,581 4,582 1.685,583 1.639,584 3.298,585 0.352,586 1,588 86.61,589 1.732,590 3.4,591 4.403,592 4.879,593 4.879,594 4.879,595 2.733,596 4.244,597 4.614,598 3.45,599 1035.11,600 8.008,601 12765.1,603 1,604 1,605 282.193,606 1.735,607 4.513,608 0.3,609 0.009,610 0.098,611 0.061,612 0.047,613 0.029,614 0.016,615 0.015,616 0.014,617 0.006,618 0.596,619 0.33,620 1,621 2.485,622 120.68,623 0.041,624 -0.092,625 0.186,626 -0.063,627 -0.067,628 0.007,629 0.18,630 0.079,631 -0.049,632 0.153,633 -0.049,634 -0.009,635 0.012,636 -0.019,637 -0.038,638 -0.135,639 -0.035,640 0.068,641 0.033,642 -0.113,643 0.013,644 0.003,645 -0.047,646 -0.018,647 0.045,648 -0.034,649 0.028,650 0.104,651 -0.078,652 0.038,653 -0.204,654 -0.066,655 -0.177,656 -0.076,657 -0.195,658 -0.12,659 0.005,660 -0.029,661 -0.07,662 -0.037,663 0.033,664 -0.106,665 4.892,666 5.39,667 0.24,668 21.782,669 1.014,670 1.853,671 3.433,672 0.631,673 3.258,674 3.555,675 3.664,676 3.807,677 3.932,678 3.871,679 3.714,680 3.611,681 3.611,682 3.296,683 6.04,684 0.596,685 372.51,686 3.258,687 6.886} {0 CHEMBL1923966,1 4.075,2 6.383,3 39.207,4 9,5 6,6 1.473,7 3.962,8 3.733,9 6.043,10 3.766,11 2.782,12 8.635,13 2.721,14 3.825,15 5.391,16 3.455,17 2.468,18 3.108,19 7.028,20 2.437,21 3.518,22 5.134,23 2.373,24 2.557,25 6.289,26 3.077,27 4.726,28 2.9,29 1.909,30 4.802,31 1.888,32 2.962,33 2.213,34 4.437,35 2.581,36 1.6,37 1.961,38 4.504,39 1.574,40 2.714,41 4.007,42 1.552,43 1.678,44 3.392,45 1.725,46 3.414,47 3.41,48 0.81,49 2.125,50 1.702,51 1.104,52 0.611,53 0.446,54 -0.129,55 -0.044,56 6.46,57 7.281,58 8.145,59 8.98,60 9.847,61 10.689,62 11.559,63 4.676,64 5.01,65 75.805,66 12,67 8,68 5.631,69 3.392,70 6.444,71 5.967,72 7.212,73 4.111,74 4.868,75 7.687,76 3.937,77 7.299,78 8.912,79 5.916,80 6.925,81 10.665,82 5.729,83 8.678,84 10.687,85 6.538,86 7.931,87 12.743,88 6.222,89 10.1,90 12.514,91 7.92,92 9.612,93 15.379,94 7.572,95 11.554,96 14.379,97 8.876,98 10.947,99 17.754,100 8.396,101 13.033,102 16.271,103 10.123,104 12.529,105 20.306,106 9.586,107 18.185,108 11.223,109 13.99,110 22.781,111 10.562,112 2.782,113 20.116,114 12.434,115 15.546,116 25.312,117 11.695,118 2.468,119 8.635,120 22.06,121 13.597,122 17.057,123 27.821,124 12.744,125 2.373,126 7.028,127 24.013,128 14.802,129 18.605,130 30.348,131 13.859,132 1.909,133 6.289,134 25.974,135 3.108,136 15.993,137 20.137,138 32.869,139 14.943,140 1.6,141 4.802,142 27.942,143 2.557,144 17.201,145 35.396,146 16.056,147 1.552,148 4.504,149 29.913,150 18.407,151 23.224,152 17.158,153 105.023,154 5.375,155 19.921,156 4.062,157 3.974,158 3.738,159 3.688,160 1.797,161 1.746,162 6.732,163 8.286,164 9.889,165 12.109,166 11.169,167 8.365,168 0.198,169 11.847,171 1.141,172 5.252,173 2.439,174 3.589,175 43.877,176 7,177 3,178 0.471,179 8.304,180 2.804,181 -0.672,182 3.717,183 0.001,184 3.554,185 12.631,186 97.829,187 3.534,188 3.469,189 3.894,190 3.802,191 4.049,192 3.925,193 3.923,194 3.914,195 11.217,196 10.036,197 4,198 12.252,199 0.068,200 18.019,201 14.409,202 33.313,203 3.608,204 3.443,205 2.687,206 1.678,207 31.321,208 150.945,209 203.305,210 365.24,211 487.824,212 19.122,213 16.183,214 8.74,215 12.617,216 10.211,217 8.41,218 6.661,219 0.245,220 4.037,221 6.174,222 11.436,223 107.127,224 101.319,225 4.082,226 4.065,227 3.833,228 3.298,229 377.383,230 540.54,231 4.361,232 -0.063,233 198.744,234 0.915,235 0.82,236 0.944,237 0.045,238 107.127,239 107.127,240 3.688,241 5,242 1.039,243 0.117,244 3.548,245 3.299,246 1.701,247 10.077,248 7.293,249 0.231,250 4.016,251 4.135,252 3.687,253 5.085,254 4.597,255 4.782,256 3.937,257 5.854,258 4.917,259 5.149,260 6.058,261 5.007,262 5.253,263 4.017,264 3.921,265 4.935,266 5.142,267 4.095,268 3.974,269 3.91,270 4.944,271 5.161,272 4.035,273 4.01,274 6.339,275 3.913,276 4.931,277 5.137,278 4.021,279 6.142,280 4.949,281 5.185,282 3.816,283 4.004,284 6.209,285 3.869,286 0.111,287 0.808,288 14.756,289 5.496,290 22.689,291 6.956,292 0.423,293 1.237,294 24.505,295 9.019,296 78.814,297 11.78,298 0.604,299 1.518,300 37.463,301 11.768,302 101.234,303 15.242,304 0.791,305 1.462,306 149.279,307 15.076,308 1.078,309 1.376,310 212.444,311 13.345,312 1.057,313 1.407,314 38.842,315 10.978,316 14.342,317 0.768,318 1.382,319 40.208,320 153.915,321 14.473,322 0.885,323 1.407,324 36.596,325 11.375,326 186.275,327 15.216,328 87,329 35,330 0.288,331 0.565,332 0.744,333 0.841,334 0.841,335 0.841,336 3.304,337 1.178,338 -3.32,339 -3.3,340 -3.16,341 34,342 3,343 4,344 1,346 4,348 2,351 8,352 1,354 3,355 2,357 6,358 1,359 6,361 6,363 3,364 3,366 8,367 1,368 7,370 4,371 8,372 3,375 10,376 7,377 9,378 1172,379 16.61,380 16.61,381 16.61,382 16.61,383 16.61,384 15.363,385 12.47,386 9.981,387 16.853,388 12.709,389 12.709,390 12.709,391 12.709,392 12.709,393 10.685,394 9.692,395 4.61,396 13.135,397 4.027,398 2.393,399 1.331,400 0.76,401 0.76,402 0.76,403 3.941,405 1,406 509,407 5.099,409 107.621,412 51.428,414 0.83,415 0.83,416 1,417 1,418 0.83,419 0.5,420 0.86,421 58.5,422 262,423 4.854,424 4.687,425 7.311,426 4.319,427 3.398,428 4.701,429 1.956,430 12.526,431 3.106,432 3.399,433 3.157,434 0.248,435 2.875,436 3.33,438 2.254,439 2.299,440 2.279,441 1.787,442 2.555,443 1.527,444 2.5,445 2.057,446 1.057,447 1.5,448 2.275,449 1.048,450 2.249,451 1.38,452 2,453 1,454 1.176,455 2.226,456 1,457 2.009,458 1,459 3.01,460 1.478,461 0.365,462 0.53,463 0.509,464 0.401,465 1.245,466 0.654,467 2.629,468 1.173,469 0.192,470 0.199,471 0.324,472 0.187,473 1.119,474 0.429,475 2.528,476 0.707,477 -0.213,478 -0.257,479 -0.47,480 -0.183,481 1,482 0.243,483 2.445,484 0.665,485 -0.302,486 -0.338,487 -0.784,488 -0.297,489 0.896,490 -0.149,491 2,492 0.353,493 -0.653,494 -0.725,495 -1.479,496 -0.654,497 0.554,498 -0.34,499 2,500 0.051,501 -1,502 -1,503 -2,504 -1,505 0.031,506 27,507 1.038,508 12,509 0.462,510 15,511 0.577,512 26.544,513 1.021,514 31.548,515 0.595,516 22.997,517 0.884,518 4.818,519 0.185,520 7.372,521 0.284,522 0.255,523 1,524 0.515,525 1.328,526 0.883,527 1.409,528 0.58,529 1.167,530 0.526,531 1.188,532 0.856,533 1.15,534 0.521,535 1.122,536 0.846,537 1.069,538 1.019,539 1.102,540 0.818,541 1.038,542 1.147,543 1.027,544 0.973,545 1.141,546 0.838,547 1.11,548 0.862,549 1.054,550 0.962,551 1.13,552 0.929,553 1.079,554 1.066,555 1.119,556 0.955,557 1.297,558 0.947,559 1.335,560 1.173,561 1.337,562 1.095,563 1.026,564 0.857,565 0.982,566 0.897,567 1.047,568 7.5,569 0.136,570 3.333,571 0.382,572 0.181,573 6420,574 20729,575 1.822,576 50.9,577 14,578 6,580 2,581 4,582 1.698,583 1.651,584 3.299,585 0.327,588 90.139,589 1.701,590 3.335,591 4.397,592 4.968,593 4.968,594 4.968,595 2.724,596 4.393,597 4.669,598 3.462,599 1125.18,600 8.13,601 14381.8,603 1,604 1,605 303.58,606 1.717,607 4.575,608 0.288,609 0.009,610 0.095,611 0.059,612 0.046,613 0.029,614 0.017,615 0.014,616 0.013,617 0.007,618 0.578,619 0.33,620 0.88,621 2.537,622 127.176,623 0.044,624 -0.088,625 0.183,626 -0.059,627 -0.063,628 0.006,629 0.182,630 0.071,631 -0.059,632 0.155,633 -0.061,634 0.003,635 0.024,636 -0.008,637 -0.029,638 -0.119,639 -0.033,640 0.075,641 0.031,642 -0.102,643 0.04,644 -0.006,645 -0.006,646 -0.004,647 0.06,648 -0.002,649 0.039,650 0.1,651 -0.029,652 0.043,653 -0.225,654 -0.046,655 -0.224,656 -0.095,657 -0.186,658 -0.107,659 -0.056,660 0.018,661 -0.102,662 0.013,663 -0.026,664 -0.08,665 4.9,666 5.506,667 0.231,668 23.929,669 1.011,670 2.088,671 4.358,672 0.629,673 3.296,674 3.584,675 3.689,676 3.829,677 3.97,678 3.932,679 3.807,680 3.714,681 3.714,682 3.434,683 6.159,684 0.591,685 386.54,686 3.296,687 6.585} {0 CHEMBL1923967,1 4.22,2 6.523,3 45.58,4 12,5 9,6 1.538,7 4.074,8 3.778,9 6.535,10 3.875,11 2.9,12 9.921,13 2.806,14 3.832,15 5.494,16 3.516,17 2.533,18 3.192,19 7.248,20 2.488,21 3.572,22 5.324,23 2.394,24 2.609,25 6.384,26 3.134,27 4.957,28 2.968,29 1.975,30 5.184,31 1.956,32 3.037,33 2.276,34 4.661,35 2.691,36 1.732,37 2.062,38 4.776,39 1.686,40 2.886,41 4.312,42 1.643,43 1.867,44 4.002,45 1.787,46 4.067,47 3.414,48 1,49 3.125,50 1.942,51 1.299,52 0.774,53 0.556,54 -0.002,55 -0.158,56 6.55,57 7.401,58 8.288,59 9.152,60 10.043,61 10.915,62 11.807,63 4.757,64 5.014,65 94.545,66 14,67 10,68 5.733,69 4.002,70 6.619,71 6.026,72 7.37,73 4.29,74 4.956,75 7.978,76 4.129,77 7.377,78 9.127,79 6.038,80 6.978,81 11.046,82 5.848,83 8.774,84 10.959,85 6.77,86 8.017,87 13.233,88 6.474,89 10.213,90 12.843,91 8.137,92 9.689,93 15.97,94 7.796,95 11.684,96 14.764,97 9.177,98 11.047,99 18.439,100 8.73,101 13.182,102 16.712,103 10.442,104 12.632,105 21.091,106 9.932,107 18.682,108 11.608,109 14.111,110 23.657,111 10.998,112 2.9,113 20.668,114 12.852,115 15.675,116 26.286,117 12.166,118 2.533,119 9.921,120 22.666,121 14.07,122 17.201,123 28.886,124 13.29,125 2.394,126 7.248,127 24.673,128 15.315,129 18.76,130 31.51,131 14.455,132 1.975,133 6.384,134 26.687,135 3.192,136 16.556,137 20.306,138 34.124,139 15.606,140 1.732,141 5.184,142 28.707,143 2.609,144 17.808,145 36.746,146 16.775,147 1.643,148 4.776,149 30.731,150 19.059,151 23.419,152 17.94,153 114.231,154 5.535,155 22.172,156 4.072,157 3.985,158 3.748,159 3.694,160 1.8,161 1.75,162 6.821,163 8.427,164 10.083,165 12.339,166 11.505,167 9.042,168 0.189,169 12.226,171 1.141,172 5.084,173 2.42,174 3.6,175 48.519,176 6,177 2,178 0.471,179 8.317,180 2.817,181 -0.652,182 3.717,183 0.1,184 3.497,185 12.228,186 98.393,187 3.527,188 3.464,189 3.904,190 3.821,191 4.119,192 4.008,193 3.911,194 3.939,195 12.445,196 11.747,197 2,198 12.252,199 0.068,200 17.925,201 14.409,202 33.313,203 3.617,204 3.416,205 2.687,206 1.679,207 31.321,208 155.45,209 203.305,210 365.24,211 487.824,212 19.448,213 16.586,214 8.491,215 12.395,216 9.936,217 9.276,218 7.307,219 0.318,220 4.142,221 6.332,222 12.167,223 116.745,224 110.937,225 4.095,226 4.079,227 3.837,228 3.256,229 393.106,230 566.96,231 4.416,232 -0.133,233 231.915,234 0.864,235 0.662,236 0.726,237 0.144,238 116.745,239 116.745,240 3.696,241 2,242 1.089,243 0.139,244 3.55,245 3.251,246 1.701,247 9.923,248 7.293,249 0.231,250 4.017,251 4.134,252 3.691,253 5.099,254 4.601,255 4.794,256 3.997,257 5.833,258 4.904,259 5.104,260 6.088,261 5.13,262 5.371,263 4.143,264 4.056,265 5.052,266 5.238,267 4.145,268 4.119,269 4.043,270 5.119,271 5.371,272 3.995,273 4.122,274 6.399,275 3.996,276 4.946,277 5.162,278 4.07,279 6.1,280 5.045,281 5.32,282 3.743,283 3.98,284 6.26,285 3.822,286 0.102,287 0.809,288 14.734,289 5.451,290 20.373,291 6.937,292 0.459,293 1.251,294 24.651,295 8.826,296 73.194,297 11.544,298 0.526,299 1.599,300 38.422,301 12.415,302 85.658,303 15.391,304 0.926,305 1.642,306 169.283,307 16.732,308 1.213,309 1.568,310 225.558,311 15.102,312 1.228,313 1.554,314 44.254,315 13.023,316 17.861,317 0.518,318 1.474,319 36.969,320 103.947,321 16.109,322 1.087,323 1.474,324 42.153,325 11.985,326 218.958,327 16.268,328 117,329 37,330 0.288,331 0.561,332 0.728,333 0.766,334 0.804,335 0.804,336 3.304,337 1.146,338 -3.32,339 -3.3,340 -3.16,341 34,342 4,343 1,344 2,345 1,346 4,348 2,351 7,352 3,353 1,354 1,355 1,356 1,357 10,359 4,361 8,364 3,365 1,366 6,368 8,370 2,371 8,372 2,375 6,376 6,377 4,378 1084,379 16.109,380 16.109,381 16.109,382 16.109,383 16.109,384 14.885,385 13.771,386 9.233,387 16.371,388 12.66,389 12.66,390 12.66,391 12.66,392 12.66,393 10.657,394 11.448,395 4.214,396 13.121,397 4.027,398 2.412,399 1.43,400 1.203,401 0.977,402 0.977,403 3.934,405 1,406 501,407 5.292,409 106.963,412 53.266,414 1,415 0.83,416 1,417 1,418 1,419 1,420 0.98,421 58.5,422 258,423 4.945,424 4.73,425 7.711,426 4.479,427 3.55,428 4.762,429 1.958,430 13.79,431 3.283,432 3.426,433 3.167,434 0.461,435 2.881,436 3.349,437 0.118,438 2.277,439 2.643,440 2.318,441 1.96,442 2.665,443 1.622,444 2.5,445 2.081,446 1.122,447 1.5,448 2.971,449 1.068,450 2.401,451 1.407,452 2,453 1,454 1.333,455 2.275,456 1,457 2.033,458 1,459 3.133,460 1.497,461 0.389,462 0.562,463 0.563,464 0.424,465 1.12,466 0.717,467 2.714,468 0.938,469 -0.028,470 -0.029,471 -0.072,472 -0.027,473 1.07,474 0.484,475 2.513,476 0.666,477 -0.23,478 -0.289,479 -0.507,480 -0.197,481 1,482 0.232,483 2.44,484 0.645,485 -0.381,486 -0.445,487 -0.926,488 -0.386,489 0.893,490 -0.199,491 2,492 0.05,493 -1,494 -1,495 -2,496 -1,497 0.5,498 -0.39,499 2,501 -1,502 -1,503 -2,504 -1,505 0.038,506 27.25,507 1.048,508 12,509 0.462,510 15.25,511 0.587,512 27.689,513 1.065,514 31.548,515 0.595,516 24.632,517 0.947,518 4.995,519 0.192,520 7.005,521 0.269,522 0.336,523 1,524 0.504,525 1.406,526 0.875,527 1.451,528 0.584,529 1.194,530 0.563,531 1.06,532 0.763,533 0.964,534 0.537,535 0.958,536 0.854,537 1.226,538 1.238,539 1.359,540 0.822,541 1.162,542 1.211,543 0.979,544 0.89,545 1.196,546 0.803,547 1.257,548 0.931,549 1.401,550 1.2,551 1.246,552 1.142,553 0.941,554 0.821,555 1.041,556 0.85,557 0.874,558 1.132,559 1.066,560 1.27,561 0.913,562 1.264,563 1.103,564 0.782,565 0.915,566 0.727,567 0.871,568 8,569 0.107,570 4,571 0.341,572 0.096,573 6068,574 20033,575 1.782,576 50.9,577 13,578 9,580 1,581 3,582 1.697,583 1.584,584 3.262,585 -0.256,588 90.139,589 1.701,590 3.316,591 4.298,592 4.525,593 4.751,594 4.751,595 2.704,596 4.162,597 4.669,598 3.415,599 1109.98,600 8.128,601 13704.2,603 1,604 1,605 303.58,606 1.744,607 4.546,608 0.308,609 0.01,610 0.108,611 0.076,612 0.045,613 0.032,614 0.021,615 0.017,616 0.013,617 0.005,618 0.636,619 0.33,620 1,621 2.336,622 125.933,623 0.056,624 -0.168,625 0.191,626 -0.102,627 -0.07,628 -0.022,629 0.169,630 0.176,631 0.104,632 0.138,633 0.087,634 -0.004,635 -0.071,636 -0.006,637 -0.112,638 -0.144,639 0.002,640 0.091,641 0.084,642 -0.109,643 -0.069,644 -0.028,645 -0.27,646 -0.157,647 -0.007,648 -0.199,649 0.055,650 0.141,651 0.056,652 0.019,653 -0.074,654 -0.23,655 -0.143,656 -0.248,657 -0.074,658 -0.239,659 -0.059,660 0.108,661 -0.011,662 0.131,663 -0.03,664 0.063,665 4.91,666 5.781,667 0.231,668 22.13,669 1.011,670 2.088,671 4.358,672 0.629,673 3.296,674 3.638,675 3.807,676 3.951,677 4.007,678 3.951,679 3.85,680 3.714,681 3.611,682 3.219,683 5.891,684 0.591,685 386.54,686 3.296,687 4.678} {0 CHEMBL1923968,1 4.104,2 6.422,3 40.947,4 10,5 9,6 1.52,7 4.033,8 3.754,9 6.327,10 3.859,11 2.876,12 9.357,13 2.805,14 3.827,15 5.439,16 3.503,17 2.517,18 3.167,19 7.173,20 2.482,21 3.558,22 5.139,23 2.386,24 2.591,25 6.3,26 3.087,27 4.729,28 2.963,29 1.968,30 4.886,31 1.953,32 3.037,33 2.272,34 4.647,35 2.676,36 1.651,37 2.053,38 4.661,39 1.684,40 2.884,41 4.311,42 1.6,43 1.865,44 4.002,45 1.785,46 3.514,47 3.414,48 0.937,49 2.375,50 1.782,51 1.16,52 0.652,53 0.493,54 -0.091,55 -0.11,56 6.466,57 7.295,58 8.168,59 9.009,60 9.883,61 10.731,62 11.605,63 4.686,64 5.014,65 84.63,66 13,67 9,68 5.652,69 4.002,70 6.491,71 5.98,72 7.255,73 4.205,74 4.913,75 7.761,76 4.048,77 7.323,78 8.972,79 5.948,80 6.937,81 10.74,82 5.766,83 8.708,84 10.759,85 6.621,86 7.952,87 12.814,88 6.331,89 10.133,90 12.593,91 7.976,92 9.623,93 15.451,94 7.645,95 11.588,96 14.461,97 8.953,98 10.958,99 17.817,100 8.51,101 13.066,102 16.354,103 10.189,104 12.536,105 20.365,106 9.686,107 18.268,108 11.296,109 13.996,110 22.833,111 10.687,112 2.876,113 20.197,114 12.501,115 15.55,116 25.361,117 11.816,118 2.517,119 9.357,120 22.137,121 13.666,122 17.06,123 27.865,124 12.879,125 2.386,126 7.173,127 24.087,128 14.867,129 18.608,130 30.39,131 13.995,132 1.968,133 6.3,134 26.045,135 3.167,136 16.058,137 20.139,138 32.908,139 15.088,140 1.651,141 4.886,142 28.008,143 2.591,144 17.264,145 35.434,146 16.204,147 1.6,148 4.661,149 29.975,150 18.469,151 23.226,152 17.313,153 106.992,154 5.384,155 19.958,156 4.063,157 3.975,158 3.742,159 3.69,160 1.798,161 1.747,162 6.744,163 8.316,164 9.932,165 12.151,166 11.174,167 8.392,168 0.194,169 11.853,171 1.142,172 5.229,173 2.337,174 3.59,175 44.122,176 6,177 2,178 0.47,179 8.37,180 2.87,181 -0.693,182 3.717,183 0.005,184 2.961,185 8.767,186 93.098,187 3.482,188 3.421,189 3.847,190 3.766,191 4.022,192 3.909,193 3.814,194 3.83,195 11.022,196 9.97,197 3,198 11.752,199 0.071,200 17.143,201 13.766,202 31.551,203 3.608,204 3.406,205 2.681,206 1.671,207 29.794,208 143.248,209 193.713,210 347.94,211 464.419,212 18.578,213 15.639,214 8.113,215 11.99,216 9.584,217 8.224,218 6.647,219 0.298,220 4.038,221 6.199,222 10.628,223 108.348,224 102.541,225 4.083,226 4.066,227 3.834,228 3.256,229 377.483,230 540.73,231 4.314,232 -0.122,233 224.148,234 0.864,235 0.729,236 0.794,237 0.103,238 108.348,239 108.348,240 3.691,241 6,242 0.899,243 0.157,244 3.546,245 3.251,246 1.732,247 10,248 7.45,249 0.24,250 3.963,251 4.079,252 3.658,253 5.059,254 4.539,255 4.72,256 3.927,257 5.829,258 4.857,259 5.069,260 6.048,261 5.01,262 5.261,263 4.002,264 3.908,265 4.903,266 5.095,267 4.06,268 3.938,269 3.881,270 4.901,271 5.114,272 3.92,273 3.947,274 6.327,275 3.857,276 4.819,277 5.024,278 3.952,279 6.003,280 4.915,281 5.183,282 3.67,283 3.886,284 6.138,285 3.726,286 0.118,287 0.77,288 13.775,289 5.162,290 21.785,291 6.436,292 0.438,293 1.18,294 22.911,295 8.469,296 79.576,297 10.915,298 0.593,299 1.478,300 34.737,301 11.205,302 97.434,303 14.222,304 0.864,305 1.452,306 154.145,307 14.797,308 1.164,309 1.321,310 218.372,311 12.491,312 1.145,313 1.304,314 35.291,315 10.351,316 13.548,317 0.567,318 1.288,319 32.971,320 110.069,321 13.775,322 0.935,323 1.285,324 36.8,325 10.735,326 190.366,327 14.681,328 98,329 35,330 0.297,331 0.581,332 0.724,333 0.765,334 0.806,335 0.806,336 3.267,337 1.15,338 -3.08,339 -3.08,340 -2.96,341 34,342 4,343 1,344 2,346 4,348 2,351 7,352 1,354 3,355 2,357 6,358 1,359 6,361 7,363 1,364 3,366 5,367 1,368 6,370 4,371 8,372 2,375 6,376 6,377 4,378 994,379 15.532,380 15.532,381 15.532,382 15.532,383 15.532,384 14.286,385 12.47,386 9.009,387 15.772,388 12.217,389 12.217,390 12.217,391 12.217,392 12.217,393 10.198,394 9.692,395 4.16,396 12.641,397 3.912,398 2.253,399 1.42,400 1.18,401 0.94,402 0.94,403 3.898,405 1,406 486,407 5.099,409 102.534,412 50.844,413 1,414 1,415 0.83,416 1,417 1,418 1,419 1,420 0.98,421 56.5,422 250,423 4.855,424 4.687,425 7.316,426 4.328,427 3.405,428 4.701,429 1.956,430 12.55,431 3.128,432 3.401,433 3.161,434 0.248,435 2.875,436 3.337,438 2.258,439 2.462,440 2.279,441 1.788,442 2.568,443 1.531,444 2.5,445 2,446 1,447 1.5,448 2.275,449 1,450 2.056,451 1.165,452 1.69,453 0.709,454 0.799,455 1.796,456 0.687,457 1.833,458 1,459 2.93,460 1.45,461 0.346,462 0.497,463 0.495,464 0.378,465 1.12,466 0.62,467 2.629,468 0.707,469 -0.212,470 -0.256,471 -0.472,472 -0.182,473 1,474 0.387,475 2.477,476 0.665,477 -0.302,478 -0.338,479 -0.784,480 -0.297,481 0.896,482 -0.144,483 2.201,484 0.259,485 -0.761,486 -0.886,487 -2,488 -0.771,489 0.522,490 -0.34,491 2,492 0.048,493 -1,494 -1,495 -2,496 -1,497 0.5,498 -0.435,499 2,501 -1,502 -1,503 -2.202,504 -1,505 0.037,506 26.5,507 1.06,508 12,509 0.48,510 14.5,511 0.58,512 25.324,513 1.013,514 30.248,515 0.605,516 22.821,517 0.913,518 4.813,519 0.193,520 6.75,521 0.27,522 0.308,523 1,524 0.517,525 1.32,526 0.871,527 1.406,528 0.593,529 1.151,530 0.528,531 1.145,532 0.817,533 1.092,534 0.527,535 1.052,536 0.862,537 1.156,538 1.068,539 1.188,540 0.84,541 1.127,542 1.113,543 0.965,544 0.902,545 1.081,546 0.788,547 1.237,548 0.85,549 1.343,550 1.117,551 1.23,552 0.973,553 1.146,554 0.95,555 1.253,556 0.937,557 0.976,558 1.078,559 1.134,560 1.248,561 1.019,562 1.259,563 0.899,564 0.761,565 0.881,566 0.788,567 0.926,568 8,569 0.107,570 3.556,571 0.341,572 0.096,573 5691,574 19342,575 1.795,576 50,577 13,578 6,580 2,581 3,582 1.685,583 1.604,584 3.282,585 0.352,586 1,588 86.61,589 1.732,590 3.39,591 4.223,592 4.463,593 4.703,594 4.703,595 2.697,596 4.054,597 4.614,598 3.438,599 1031.26,600 8.007,601 12587.5,603 1,604 1,605 282.193,606 1.757,607 4.498,608 0.32,609 0.01,610 0.102,611 0.066,612 0.048,613 0.031,614 0.02,615 0.017,616 0.014,617 0.005,618 0.633,619 0.33,620 1,621 2.384,622 120.339,623 0.041,624 -0.092,625 0.186,626 -0.063,627 -0.075,628 0.007,629 0.182,630 0.106,631 -0.007,632 0.155,633 0.001,634 -0.015,635 -0.033,636 -0.029,637 -0.112,638 -0.116,639 -0.005,640 0.125,641 0.076,642 -0.09,643 -0.029,644 0.018,645 -0.159,646 -0.067,647 0.035,648 -0.045,649 -0.001,650 0.134,651 -0.049,652 -0.019,653 -0.126,654 -0.17,655 -0.191,656 -0.22,657 -0.124,658 -0.242,659 -0.004,660 0.043,661 0.006,662 0.081,663 0.013,664 0.029,665 4.914,666 5.442,667 0.24,668 20.95,669 1.014,670 1.853,671 3.433,672 0.631,673 3.258,674 3.584,675 3.689,676 3.829,677 3.951,678 3.871,679 3.714,680 3.611,681 3.611,682 3.219,683 5.964,684 0.596,685 372.51,686 3.258,687 4.377} {0 CHEMBL288365,1 4.104,2 6.422,3 40.947,4 10,5 9,6 1.52,7 4.033,8 3.754,9 6.327,10 3.859,11 2.876,12 9.357,13 2.805,14 3.827,15 5.439,16 3.503,17 2.517,18 3.167,19 7.173,20 2.482,21 3.558,22 5.139,23 2.386,24 2.591,25 6.3,26 3.087,27 4.729,28 2.963,29 1.968,30 4.886,31 1.953,32 3.037,33 2.272,34 4.647,35 2.676,36 1.651,37 2.053,38 4.661,39 1.684,40 2.884,41 4.311,42 1.6,43 1.865,44 4.002,45 1.785,46 3.514,47 3.414,48 0.937,49 2.375,50 1.782,51 1.16,52 0.652,53 0.493,54 -0.091,55 -0.11,56 6.466,57 7.295,58 8.168,59 9.009,60 9.883,61 10.731,62 11.605,63 4.686,64 5.014,65 84.63,66 13,67 9,68 5.652,69 4.002,70 6.491,71 5.98,72 7.255,73 4.205,74 4.913,75 7.761,76 4.048,77 7.323,78 8.972,79 5.948,80 6.937,81 10.74,82 5.766,83 8.708,84 10.759,85 6.621,86 7.952,87 12.814,88 6.331,89 10.133,90 12.593,91 7.976,92 9.623,93 15.451,94 7.645,95 11.588,96 14.461,97 8.953,98 10.958,99 17.817,100 8.51,101 13.066,102 16.354,103 10.189,104 12.536,105 20.365,106 9.686,107 18.268,108 11.296,109 13.996,110 22.833,111 10.687,112 2.876,113 20.197,114 12.501,115 15.55,116 25.361,117 11.816,118 2.517,119 9.357,120 22.137,121 13.666,122 17.06,123 27.865,124 12.879,125 2.386,126 7.173,127 24.087,128 14.867,129 18.608,130 30.39,131 13.995,132 1.968,133 6.3,134 26.045,135 3.167,136 16.058,137 20.139,138 32.908,139 15.088,140 1.651,141 4.886,142 28.008,143 2.591,144 17.264,145 35.434,146 16.204,147 1.6,148 4.661,149 29.975,150 18.469,151 23.226,152 17.313,153 106.992,154 5.384,155 19.958,156 4.063,157 3.975,158 3.742,159 3.69,160 1.798,161 1.747,162 6.744,163 8.316,164 9.932,165 12.151,166 11.174,167 8.392,168 0.194,169 11.853,171 1.142,172 5.229,173 2.337,174 3.59,175 44.122,176 6,177 2,178 0.47,179 8.37,180 2.87,181 -0.693,182 3.717,183 0.005,184 2.961,185 8.767,186 93.098,187 3.482,188 3.421,189 3.847,190 3.766,191 4.022,192 3.909,193 3.814,194 3.83,195 11.022,196 9.97,197 3,198 11.752,199 0.071,200 17.143,201 13.766,202 31.551,203 3.608,204 3.406,205 2.681,206 1.671,207 29.794,208 143.248,209 193.713,210 347.94,211 464.419,212 18.578,213 15.639,214 8.113,215 11.99,216 9.584,217 8.224,218 6.647,219 0.298,220 4.038,221 6.199,222 10.628,223 108.348,224 102.541,225 4.083,226 4.066,227 3.834,228 3.256,229 377.483,230 540.73,231 4.314,232 -0.122,233 224.148,234 0.864,235 0.729,236 0.794,237 0.103,238 108.348,239 108.348,240 3.691,241 6,242 0.899,243 0.157,244 3.546,245 3.251,246 1.732,247 10,248 7.45,249 0.24,250 3.963,251 4.079,252 3.658,253 5.059,254 4.539,255 4.72,256 3.927,257 5.829,258 4.857,259 5.069,260 6.048,261 5.01,262 5.261,263 4.002,264 3.908,265 4.903,266 5.095,267 4.06,268 3.938,269 3.881,270 4.901,271 5.114,272 3.92,273 3.947,274 6.327,275 3.857,276 4.819,277 5.024,278 3.952,279 6.003,280 4.915,281 5.183,282 3.67,283 3.886,284 6.138,285 3.726,286 0.118,287 0.77,288 13.775,289 5.162,290 21.785,291 6.436,292 0.438,293 1.18,294 22.911,295 8.469,296 79.576,297 10.915,298 0.593,299 1.478,300 34.737,301 11.205,302 97.434,303 14.222,304 0.864,305 1.452,306 154.145,307 14.797,308 1.164,309 1.321,310 218.372,311 12.491,312 1.145,313 1.304,314 35.291,315 10.351,316 13.548,317 0.567,318 1.288,319 32.971,320 110.069,321 13.775,322 0.935,323 1.285,324 36.8,325 10.735,326 190.366,327 14.681,328 98,329 35,330 0.297,331 0.581,332 0.724,333 0.765,334 0.806,335 0.806,336 3.267,337 1.15,338 -3.08,339 -3.08,340 -2.96,341 34,342 4,343 1,344 2,346 4,348 2,351 7,352 1,354 3,355 2,357 6,358 1,359 6,361 7,363 1,364 3,366 5,367 1,368 6,370 4,371 8,372 2,375 6,376 6,377 4,378 994,379 15.532,380 15.532,381 15.532,382 15.532,383 15.532,384 14.286,385 12.47,386 9.009,387 15.772,388 12.217,389 12.217,390 12.217,391 12.217,392 12.217,393 10.198,394 9.692,395 4.16,396 12.641,397 3.912,398 2.253,399 1.42,400 1.18,401 0.94,402 0.94,403 3.898,405 1,406 486,407 5.099,409 102.534,412 50.844,413 1,414 1,415 0.83,416 1,417 1,418 1,419 1,420 0.98,421 56.5,422 250,423 4.855,424 4.687,425 7.316,426 4.328,427 3.405,428 4.701,429 1.956,430 12.55,431 3.128,432 3.401,433 3.161,434 0.248,435 2.875,436 3.337,438 2.258,439 2.462,440 2.279,441 1.788,442 2.568,443 1.531,444 2.5,445 2,446 1,447 1.5,448 2.275,449 1,450 2.056,451 1.165,452 1.69,453 0.709,454 0.799,455 1.796,456 0.687,457 1.833,458 1,459 2.93,460 1.45,461 0.346,462 0.497,463 0.495,464 0.378,465 1.12,466 0.62,467 2.629,468 0.707,469 -0.212,470 -0.256,471 -0.472,472 -0.182,473 1,474 0.387,475 2.477,476 0.665,477 -0.302,478 -0.338,479 -0.784,480 -0.297,481 0.896,482 -0.144,483 2.201,484 0.259,485 -0.761,486 -0.886,487 -2,488 -0.771,489 0.522,490 -0.34,491 2,492 0.048,493 -1,494 -1,495 -2,496 -1,497 0.5,498 -0.435,499 2,501 -1,502 -1,503 -2.202,504 -1,505 0.037,506 26.5,507 1.06,508 12,509 0.48,510 14.5,511 0.58,512 25.324,513 1.013,514 30.248,515 0.605,516 22.821,517 0.913,518 4.813,519 0.193,520 6.75,521 0.27,522 0.308,523 1,524 0.517,525 1.32,526 0.871,527 1.406,528 0.593,529 1.151,530 0.528,531 1.145,532 0.817,533 1.092,534 0.527,535 1.052,536 0.862,537 1.156,538 1.068,539 1.188,540 0.84,541 1.127,542 1.113,543 0.965,544 0.902,545 1.081,546 0.788,547 1.237,548 0.85,549 1.343,550 1.117,551 1.23,552 0.973,553 1.146,554 0.95,555 1.253,556 0.937,557 0.976,558 1.078,559 1.134,560 1.248,561 1.019,562 1.259,563 0.899,564 0.761,565 0.881,566 0.788,567 0.926,568 8,569 0.107,570 3.556,571 0.341,572 0.096,573 5691,574 19342,575 1.795,576 50,577 13,578 6,580 2,581 3,582 1.685,583 1.604,584 3.282,585 0.352,586 1,588 86.61,589 1.732,590 3.39,591 4.223,592 4.463,593 4.703,594 4.703,595 2.697,596 4.054,597 4.614,598 3.438,599 1031.26,600 8.007,601 12587.5,603 1,604 1,605 282.193,606 1.757,607 4.498,608 0.32,609 0.01,610 0.102,611 0.066,612 0.048,613 0.031,614 0.02,615 0.017,616 0.014,617 0.005,618 0.633,619 0.33,620 1,621 2.384,622 120.339,623 0.041,624 -0.092,625 0.186,626 -0.063,627 -0.075,628 0.007,629 0.182,630 0.106,631 -0.007,632 0.155,633 0.001,634 -0.015,635 -0.033,636 -0.029,637 -0.112,638 -0.116,639 -0.005,640 0.125,641 0.076,642 -0.09,643 -0.029,644 0.018,645 -0.159,646 -0.067,647 0.035,648 -0.045,649 -0.001,650 0.134,651 -0.049,652 -0.019,653 -0.126,654 -0.17,655 -0.191,656 -0.22,657 -0.124,658 -0.242,659 -0.004,660 0.043,661 0.006,662 0.081,663 0.013,664 0.029,665 4.914,666 5.442,667 0.24,668 20.95,669 1.014,670 1.853,671 3.433,672 0.631,673 3.258,674 3.584,675 3.689,676 3.829,677 3.951,678 3.871,679 3.714,680 3.611,681 3.611,682 3.219,683 5.964,684 0.596,685 372.51,686 3.258,687 8.125}