@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2079851

@attribute molecule_id {CHEMBL1201022,CHEMBL2089157,CHEMBL2089166,CHEMBL2089167,CHEMBL2089168,CHEMBL2089170,CHEMBL2089171,CHEMBL2089172,CHEMBL274189,CHEMBL279786,CHEMBL869}
@attribute BLI numeric
@attribute Eig01_AEA.bo. numeric
@attribute Eig01_EA.bo. numeric
@attribute Eta_beta_A numeric
@attribute Eta_FL_A numeric
@attribute GATS4v numeric
@attribute H. numeric
@attribute JGI5 numeric
@attribute JGI7 numeric
@attribute MATS1p numeric
@attribute nCbH numeric
@attribute PCD numeric
@attribute PCR numeric
@attribute PHI numeric
@attribute P_VSA_LogP_5 numeric
@attribute RBF numeric
@attribute S2K numeric
@attribute SM09_EA.bo. numeric
@attribute SM10_EA.bo. numeric
@attribute SM11_AEA.ri. numeric
@attribute SM11_EA.bo. numeric
@attribute SM12_EA.bo. numeric
@attribute SM13_EA.bo. numeric
@attribute SM14_EA.bo. numeric
@attribute SM15_EA.bo. numeric
@attribute SpDiam_EA.bo. numeric
@attribute SpMAD_EA.bo. numeric
@attribute SpMax_AEA.bo. numeric
@attribute SpMax_EA.bo. numeric
@attribute X1Av numeric
@attribute X2Av numeric
@attribute X3Av numeric
@attribute X4Av numeric
@attribute X5Av numeric
@attribute Eta_betaS_A numeric
@attribute GATS2e numeric
@attribute MATS1v numeric
@attribute MATS5v numeric
@attribute MATS6e numeric
@attribute S3K numeric
@attribute SpMaxA_EA.bo. numeric
@attribute Uindex numeric
@attribute PDI numeric
@attribute ARR numeric
@attribute C.024 numeric
@attribute CATS2D_09_PL numeric
@attribute CIC4 numeric
@attribute CIC5 numeric
@attribute Eta_betaP_A numeric
@attribute GATS1i numeric
@attribute GATS3i numeric
@attribute GATS5v numeric
@attribute GATS6v numeric
@attribute LOC numeric
@attribute MATS1e numeric
@attribute MATS1i numeric
@attribute MATS3i numeric
@attribute MATS4m numeric
@attribute MCD numeric
@attribute piID numeric
@attribute piPC06 numeric
@attribute piPC07 numeric
@attribute piPC08 numeric
@attribute piPC09 numeric
@attribute piPC10 numeric
@attribute P_VSA_LogP_3 numeric
@attribute SaaCH numeric
@attribute SIC4 numeric
@attribute SIC5 numeric
@attribute SM08_EA.bo. numeric
@attribute SpMAD_EA.dm. numeric
@attribute SpMaxA_EA.dm. numeric
@attribute X1A numeric
@attribute GATS4m numeric
@attribute GNar numeric
@attribute HNar numeric
@attribute X0A numeric
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute AMW numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute ATS2s numeric
@attribute ATS2v numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS3m numeric
@attribute ATS3p numeric
@attribute ATS3s numeric
@attribute ATS3v numeric
@attribute ATS4e numeric
@attribute ATS4i numeric
@attribute ATS4m numeric
@attribute ATS4p numeric
@attribute ATS4s numeric
@attribute ATS4v numeric
@attribute ATS5e numeric
@attribute ATS5i numeric
@attribute ATS5m numeric
@attribute ATS5p numeric
@attribute ATS5s numeric
@attribute ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6i numeric
@attribute ATS6m numeric
@attribute ATS6p numeric
@attribute ATS6s numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7i numeric
@attribute ATS7m numeric
@attribute ATS7p numeric
@attribute ATS7s numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC1e numeric
@attribute ATSC1i numeric
@attribute ATSC1m numeric
@attribute ATSC1p numeric
@attribute ATSC1s numeric
@attribute ATSC1v numeric
@attribute ATSC2e numeric
@attribute ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC2p numeric
@attribute ATSC2s numeric
@attribute ATSC2v numeric
@attribute ATSC3e numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC3p numeric
@attribute ATSC3s numeric
@attribute ATSC3v numeric
@attribute ATSC4e numeric
@attribute ATSC4i numeric
@attribute ATSC4m numeric
@attribute ATSC4p numeric
@attribute ATSC4s numeric
@attribute ATSC4v numeric
@attribute ATSC5e numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5s numeric
@attribute ATSC5v numeric
@attribute ATSC6e numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6s numeric
@attribute ATSC6v numeric
@attribute ATSC7e numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7p numeric
@attribute ATSC7s numeric
@attribute ATSC7v numeric
@attribute ATSC8e numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v numeric
@attribute BAC numeric
@attribute BBI numeric
@attribute BIC0 numeric
@attribute BIC1 numeric
@attribute BIC2 numeric
@attribute BIC3 numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute BID numeric
@attribute 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.006 numeric
@attribute C.008 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.027 numeric
@attribute C.028 numeric
@attribute C.029 numeric
@attribute C.033 numeric
@attribute C.034 numeric
@attribute C.035 numeric
@attribute C.037 numeric
@attribute C.039 numeric
@attribute C.040 numeric
@attribute C.041 numeric
@attribute C.042 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_DA numeric
@attribute CATS2D_01_DD numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AP numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DD numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_DP numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_PL numeric
@attribute CATS2D_02_PP numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_AP numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DD numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_DP numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_PL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_AP numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DD numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_DP numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_PL numeric
@attribute CATS2D_04_PP numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_AP numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DD numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_DP numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_05_PL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_AP numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DD numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_DP numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_PL numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DD numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_DP numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_PL numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_AP numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DD numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_DP numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_PL numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_AP numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_DD numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_DP numeric
@attribute CATS2D_09_LL numeric
@attribute 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 CID numeric
@attribute CMC.50 numeric
@attribute CMC.80 numeric
@attribute cRo5 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr09 numeric
@attribute D.Dtr10 numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute Depressant.80 numeric
@attribute DLS_01 numeric
@attribute DLS_02 numeric
@attribute DLS_03 numeric
@attribute DLS_04 numeric
@attribute DLS_05 numeric
@attribute DLS_06 numeric
@attribute DLS_07 numeric
@attribute DLS_cons numeric
@attribute Dz numeric
@attribute ECC numeric
@attribute Eig01_AEA.dm. numeric
@attribute Eig01_AEA.ed. numeric
@attribute Eig01_AEA.ri. numeric
@attribute Eig01_EA numeric
@attribute Eig01_EA.dm. numeric
@attribute Eig01_EA.ed. numeric
@attribute Eig01_EA.ri. numeric
@attribute Eig02_AEA.bo. numeric
@attribute Eig02_AEA.dm. numeric
@attribute Eig02_AEA.ed. numeric
@attribute Eig02_AEA.ri. numeric
@attribute Eig02_EA numeric
@attribute Eig02_EA.bo. numeric
@attribute Eig02_EA.dm. numeric
@attribute Eig02_EA.ed. numeric
@attribute Eig02_EA.ri. numeric
@attribute Eig03_AEA.bo. numeric
@attribute Eig03_AEA.dm. numeric
@attribute Eig03_AEA.ed. numeric
@attribute Eig03_AEA.ri. numeric
@attribute Eig03_EA numeric
@attribute Eig03_EA.bo. numeric
@attribute Eig03_EA.dm. numeric
@attribute Eig03_EA.ed. numeric
@attribute Eig03_EA.ri. numeric
@attribute Eig04_AEA.bo. numeric
@attribute Eig04_AEA.dm. numeric
@attribute Eig04_AEA.ed. numeric
@attribute Eig04_AEA.ri. numeric
@attribute Eig04_EA numeric
@attribute Eig04_EA.bo. numeric
@attribute Eig04_EA.dm. numeric
@attribute Eig04_EA.ed. numeric
@attribute Eig04_EA.ri. numeric
@attribute Eig05_AEA.bo. numeric
@attribute Eig05_AEA.dm. numeric
@attribute Eig05_AEA.ed. numeric
@attribute Eig05_AEA.ri. numeric
@attribute Eig05_EA numeric
@attribute Eig05_EA.bo. numeric
@attribute Eig05_EA.dm. numeric
@attribute Eig05_EA.ed. numeric
@attribute Eig05_EA.ri. numeric
@attribute Eig06_AEA.bo. numeric
@attribute Eig06_AEA.dm. numeric
@attribute Eig06_AEA.ed. numeric
@attribute Eig06_AEA.ri. numeric
@attribute Eig06_EA numeric
@attribute Eig06_EA.bo. numeric
@attribute Eig06_EA.dm. numeric
@attribute Eig06_EA.ed. numeric
@attribute Eig06_EA.ri. numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig07_AEA.dm. numeric
@attribute Eig07_AEA.ed. numeric
@attribute Eig07_AEA.ri. numeric
@attribute Eig07_EA numeric
@attribute Eig07_EA.bo. numeric
@attribute Eig07_EA.dm. numeric
@attribute Eig07_EA.ed. numeric
@attribute Eig07_EA.ri. numeric
@attribute Eig08_AEA.bo. numeric
@attribute Eig08_AEA.dm. numeric
@attribute Eig08_AEA.ed. numeric
@attribute Eig08_AEA.ri. numeric
@attribute Eig08_EA numeric
@attribute Eig08_EA.bo. numeric
@attribute Eig08_EA.dm. numeric
@attribute Eig08_EA.ed. numeric
@attribute Eig08_EA.ri. numeric
@attribute Eig09_AEA.bo. numeric
@attribute Eig09_AEA.dm. numeric
@attribute Eig09_AEA.ed. numeric
@attribute Eig09_AEA.ri. numeric
@attribute Eig09_EA numeric
@attribute Eig09_EA.bo. numeric
@attribute Eig09_EA.ed. numeric
@attribute pXC50 numeric

@data
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{0 CHEMBL2089157,1 0.916,2 4.681,3 4.621,4 1.281,5 0.258,6 1.317,7 46.7,8 0.031,9 0.014,10 -0.036,11 3,12 2.469,13 1.379,14 2.163,15 55.573,16 0.031,17 3.546,18 13.831,19 15.402,20 4.621,21 16.873,22 18.416,23 19.92,24 21.453,25 22.971,26 7.621,27 2.031,28 4.681,29 4.621,30 0.305,31 0.158,32 0.086,33 0.046,34 0.025,35 0.656,36 1.254,37 0.02,38 -0.074,39 0.016,40 1.442,41 0.257,42 21.713,43 1.024,44 0.556,45 3,47 0.45,48 0.45,49 0.625,50 1.248,51 1.024,52 1.073,53 0.953,54 0.875,55 -0.022,56 -0.111,57 0.068,58 -0.367,59 0.813,60 8.984,61 6.247,62 6.662,63 7.029,64 6.991,65 7.032,66 28.429,67 6.181,68 0.908,69 0.908,70 12.439,71 0.205,72 0.055,73 0.433,74 1.279,75 2.135,76 2,77 0.695,78 1.46,79 6.313,80 2.474,81 6.119,82 64.151,83 7.143,84 3.515,85 3.633,86 3.069,87 3.073,88 4.551,89 3.049,90 4.057,91 4.236,92 3.429,93 3.463,94 5.024,95 3.425,96 4.187,97 4.373,98 3.46,99 3.568,100 5.152,101 3.506,102 4.234,103 4.432,104 3.279,105 3.551,106 5.134,107 3.435,108 4.253,109 4.534,110 2.922,111 3.355,112 4.993,113 3.174,114 3.955,115 4.254,116 2.594,117 2.993,118 4.701,119 2.817,120 3.596,121 3.882,122 2.185,123 2.515,124 4.375,125 2.342,126 3.026,127 3.244,128 1.69,129 2.076,130 3.871,131 1.948,132 0.02,133 0.435,134 6.477,135 2.775,136 5.115,137 3.698,138 0.108,139 0.708,140 12.329,141 4.606,142 12.7,143 6.282,144 0.145,145 0.821,146 14.021,147 5.194,148 15.244,149 7.178,150 0.156,151 0.836,152 14.752,153 5.618,154 14.505,155 7.923,156 0.119,157 0.757,158 16.371,159 6.139,160 15.883,161 8.91,162 0.105,163 0.556,164 12.382,165 4.27,166 13.546,167 6.348,168 0.143,169 0.343,170 8.887,171 3.009,172 12.301,173 4.242,174 0.099,175 0.192,176 4.881,177 1.551,178 7.78,179 1.964,180 6,181 26,182 0.278,183 0.664,184 0.819,185 0.849,186 0.849,187 0.849,188 2.856,189 -2.87,190 -2.88,191 -2.78,192 43.3,193 1,194 1,196 1,197 1,199 2,200 1,205 2,208 1,218 4,220 4,224 3,226 5,230 2,232 1,234 3,236 5,239 2,241 1,243 1,245 4,249 3,255 2,258 2,264 1,266 1,267 1,291 188,292 11.025,293 11.025,294 11.025,295 11.025,296 11.025,297 9.621,298 11.567,299 6.343,300 11.324,301 8.82,302 8.82,303 8.82,304 8.82,305 8.82,306 6.595,307 11.734,308 2.921,309 9.203,310 3.447,311 1.424,312 0.609,313 0.45,314 3.532,316 1,317 1,318 220,319 2,320 19.432,321 56.361,322 79.753,324 1.102,325 8.73,327 1,328 1,329 1,330 0.8,331 0.5,332 1,333 1,334 0.9,335 34,336 101,337 3.399,338 6.847,339 4.237,340 3.257,341 0.986,342 11.399,343 3.192,344 4.003,345 2.91,346 5.938,347 3.574,348 2.61,349 3.493,350 0.86,351 8.223,352 2.516,353 3.609,354 2.64,355 5.342,356 3.175,357 2.226,358 2.956,360 6.71,361 2.106,362 3.196,363 2.046,364 4.968,365 2.775,366 1.811,367 2.484,369 5.447,370 1.74,371 2.902,372 1.676,373 4.357,374 2.374,375 1.43,376 1.997,378 3.916,379 1.347,380 2.498,381 1.413,382 3.839,383 2.278,384 1.295,385 1.496,387 3.087,388 1.271,389 1.93,390 1.054,391 3.203,392 1.554,393 0.62,394 0.781,396 1.399,397 0.574,398 1.573,399 0.671,400 2.831,401 1.273,402 0.384,403 0.447,405 0.64,406 0.34,407 0.88,408 0.098,409 2.407,410 0.674,411 -0.287,412 -0.321,413 -0.636,414 4.152}
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