@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2392

@attribute molecule_id {CHEMBL1162297,CHEMBL1162298,CHEMBL1162299,CHEMBL1162300,CHEMBL129,CHEMBL155085,CHEMBL1630222,CHEMBL1652466,CHEMBL1652467,CHEMBL1652468,CHEMBL1652469,CHEMBL1673156,CHEMBL168,CHEMBL169,CHEMBL193952,CHEMBL203449,CHEMBL203772,CHEMBL205598,CHEMBL205716,CHEMBL206487,CHEMBL207165,CHEMBL207651,CHEMBL208804,CHEMBL2092833,CHEMBL2092834,CHEMBL2092835,CHEMBL210047,CHEMBL210096,CHEMBL210297,CHEMBL210593,CHEMBL210764,CHEMBL221457,CHEMBL221542,CHEMBL254316,CHEMBL259025,CHEMBL269277,CHEMBL29711,CHEMBL366792,CHEMBL372357,CHEMBL377599,CHEMBL379409,CHEMBL380026,CHEMBL380892,CHEMBL381375,CHEMBL381828,CHEMBL381927,CHEMBL383304,CHEMBL386515,CHEMBL386710,CHEMBL391533,CHEMBL400247,CHEMBL408962,CHEMBL425769,CHEMBL425779,CHEMBL426850,CHEMBL437310,CHEMBL437883,CHEMBL449712,CHEMBL454727,CHEMBL463917,CHEMBL467903,CHEMBL469640,CHEMBL469641,CHEMBL469849,CHEMBL470872,CHEMBL470873,CHEMBL470874,CHEMBL483492,CHEMBL486797,CHEMBL486991,CHEMBL490329,CHEMBL495331,CHEMBL498103,CHEMBL502468,CHEMBL504840,CHEMBL506190,CHEMBL506422,CHEMBL506678,CHEMBL507771,CHEMBL511272,CHEMBL511441,CHEMBL513395,CHEMBL518143,CHEMBL520861,CHEMBL521208,CHEMBL566314,CHEMBL583412,CHEMBL584918,CHEMBL84384}
@attribute SaasN numeric
@attribute SpMax1_Bh.i. numeric
@attribute SpMax5_Bh.v. numeric
@attribute Xindex numeric
@attribute C.034 numeric
@attribute SpMax5_Bh.e. numeric
@attribute SpMax5_Bh.p. numeric
@attribute H.047 numeric
@attribute SaaaC numeric
@attribute SpMin4_Bh.e. numeric
@attribute CATS2D_03_AL numeric
@attribute nAB numeric
@attribute nBM numeric
@attribute Uc numeric
@attribute Vindex numeric
@attribute Yindex numeric
@attribute CATS2D_08_NL numeric
@attribute D.Dtr06 numeric
@attribute piPC04 numeric
@attribute piPC05 numeric
@attribute piPC06 numeric
@attribute piPC07 numeric
@attribute piPC08 numeric
@attribute piPC09 numeric
@attribute piPC10 numeric
@attribute Rperim numeric
@attribute SpMin4_Bh.i. numeric
@attribute SpMin5_Bh.i. numeric
@attribute SpMaxA_EA.ed. numeric
@attribute C.024 numeric
@attribute NaaCH numeric
@attribute P_VSA_MR_6 numeric
@attribute SaaCH numeric
@attribute BLI numeric
@attribute X1Av numeric
@attribute Eta_sh_p numeric
@attribute SpMax4_Bh.v. numeric
@attribute Eig15_EA.bo. numeric
@attribute SpMin4_Bh.p. numeric
@attribute P_VSA_LogP_2 numeric
@attribute SpMin5_Bh.p. numeric
@attribute Eig05_EA.bo. numeric
@attribute Eta_betaP numeric
@attribute Eta_F numeric
@attribute nCsp2 numeric
@attribute PCD numeric
@attribute piID numeric
@attribute piPC02 numeric
@attribute SM02_EA.bo. numeric
@attribute SM04_EA.bo. numeric
@attribute SM15_AEA.ri. numeric
@attribute JGI5 numeric
@attribute LOC numeric
@attribute P_VSA_i_2 numeric
@attribute SpMax4_Bh.i. numeric
@attribute SpMax4_Bh.p. numeric
@attribute SpMax2_Bh.v. numeric
@attribute GNar numeric
@attribute MCD numeric
@attribute PW3 numeric
@attribute nCbH numeric
@attribute P_VSA_e_2 numeric
@attribute Eta_FL numeric
@attribute GATS5m numeric
@attribute X2A numeric
@attribute Eta_beta numeric
@attribute HNar numeric
@attribute P_VSA_m_2 numeric
@attribute X3Av numeric
@attribute SpMaxA_AEA.ed. numeric
@attribute SpMin5_Bh.v. numeric
@attribute Eig14_AEA.bo. numeric
@attribute Eig14_EA.bo. numeric
@attribute SpMaxA_AEA.ri. numeric
@attribute SpMaxA_EA numeric
@attribute nCIC numeric
@attribute SpAD_EA.bo. numeric
@attribute TRS numeric
@attribute SpMin5_Bh.e. numeric
@attribute Eig01_AEA.bo. numeric
@attribute SpMax_AEA.bo. numeric
@attribute JGI3 numeric
@attribute ATS2s numeric
@attribute P_VSA_p_3 numeric
@attribute P_VSA_v_3 numeric
@attribute nCar numeric
@attribute IVDE numeric
@attribute X0A numeric
@attribute Chi0_EA.ed. numeric
@attribute C. numeric
@attribute SpMax2_Bh.p. numeric
@attribute MATS5p numeric
@attribute DELS numeric
@attribute P_VSA_s_4 numeric
@attribute nArCOOH numeric
@attribute ATSC7e numeric
@attribute SNar numeric
@attribute Xt numeric
@attribute C.025 numeric
@attribute piPC03 numeric
@attribute Ui numeric
@attribute GATS1p numeric
@attribute ATS1m numeric
@attribute SsssCH numeric
@attribute GMTIV numeric
@attribute SpMax6_Bh.m. numeric
@attribute ATSC2s numeric
@attribute SpDiam_AEA.bo. numeric
@attribute GATS4i numeric
@attribute DLS_cons numeric
@attribute CATS2D_02_AL numeric
@attribute Eig06_EA.bo. numeric
@attribute PW4 numeric
@attribute SpMax5_Bh.i. numeric
@attribute SpDiam_AEA.ri. numeric
@attribute ATSC2e numeric
@attribute JGI6 numeric
@attribute SpMax1_Bh.s. numeric
@attribute C.028 numeric
@attribute X5Av numeric
@attribute ATSC6e numeric
@attribute SpMax2_Bh.e. numeric
@attribute SpMin4_Bh.v. numeric
@attribute SpMaxA_EA.ri. numeric
@attribute AECC numeric
@attribute IDE numeric
@attribute SM06_EA.bo. numeric
@attribute SM08_EA.bo. numeric
@attribute RCI numeric
@attribute RFD numeric
@attribute Chi1_EA.ed. numeric
@attribute RDCHI numeric
@attribute SM15_EA.ri. numeric
@attribute ARR numeric
@attribute GATS4p numeric
@attribute Eig15_AEA.ri. numeric
@attribute Eig15_EA numeric
@attribute Eig15_EA.ri. numeric
@attribute SM09_AEA.dm. numeric
@attribute ATSC7s numeric
@attribute piPC01 numeric
@attribute SCBO numeric
@attribute D.Dtr09 numeric
@attribute ATSC6s numeric
@attribute CATS2D_07_NL numeric
@attribute GATS7i numeric
@attribute SpMin3_Bh.i. numeric
@attribute NRS numeric
@attribute Eig01_EA.bo. numeric
@attribute SM11_AEA.ri. numeric
@attribute SpDiam_EA.bo. numeric
@attribute SpMax_EA.bo. numeric
@attribute PDI numeric
@attribute GATS6e numeric
@attribute SpMin3_Bh.e. numeric
@attribute MSD numeric
@attribute Eig01_AEA.ri. numeric
@attribute Eig01_EA numeric
@attribute SM09_AEA.bo. numeric
@attribute SM12_EA numeric
@attribute SM13_EA numeric
@attribute SM14_EA numeric
@attribute SM15_EA numeric
@attribute SpDiam_EA numeric
@attribute SpMax_AEA.ri. numeric
@attribute SpMax_EA numeric
@attribute SsF numeric
@attribute X4A numeric
@attribute JGI4 numeric
@attribute PHI numeric
@attribute nArX numeric
@attribute GATS4v numeric
@attribute F.084 numeric
@attribute CATS2D_07_AA numeric
@attribute Eig01_AEA.dm. numeric
@attribute SpMax_AEA.dm. numeric
@attribute X4Av numeric
@attribute SM12_EA.ri. numeric
@attribute SM13_EA.ri. numeric
@attribute MATS2v numeric
@attribute CATS2D_09_AL numeric
@attribute SM14_EA.ri. numeric
@attribute SM12_AEA.ed. numeric
@attribute ALOGP numeric
@attribute SM11_EA.ri. numeric
@attribute Chi0_EA.ri. numeric
@attribute SMTIV numeric
@attribute SM10_EA.bo. numeric
@attribute Eig04_EA.bo. numeric
@attribute SM14_AEA.ri. numeric
@attribute SM05_EA.ed. numeric
@attribute SM13_AEA.ed. numeric
@attribute SM06_EA.ed. numeric
@attribute GATS6p numeric
@attribute SM13_EA.bo. numeric
@attribute SM14_EA.bo. numeric
@attribute SM15_EA.bo. numeric
@attribute ALOGP2 numeric
@attribute Chi1_EA.ri. numeric
@attribute PCR numeric
@attribute ZM2Kup numeric
@attribute SM07_EA.ed. numeric
@attribute SM08_EA.ed. numeric
@attribute SM09_EA.ed. numeric
@attribute SM10_EA.ed. numeric
@attribute SM11_EA.ed. numeric
@attribute X3A numeric
@attribute MATS6p numeric
@attribute HVcpx numeric
@attribute SpDiam_EA.ed. numeric
@attribute Eig02_AEA.ed. numeric
@attribute SpDiam_AEA.dm. numeric
@attribute SssCH2 numeric
@attribute S3K numeric
@attribute MAXDP numeric
@attribute C.002 numeric
@attribute GATS7p numeric
@attribute nCs numeric
@attribute NssCH2 numeric
@attribute SM09_EA.bo. numeric
@attribute SM12_EA.bo. numeric
@attribute ICR numeric
@attribute SM10_AEA.ed. numeric
@attribute SM11_AEA.ed. numeric
@attribute SM12_EA.ed. numeric
@attribute SM13_EA.ed. numeric
@attribute X5A numeric
@attribute LLS_01 numeric
@attribute D.Dtr05 numeric
@attribute SpMAD_AEA.ed. numeric
@attribute SpMin5_Bh.m. numeric
@attribute SM11_EA.bo. numeric
@attribute SpMAD_EA.bo. numeric
@attribute JGT numeric
@attribute Eig02_EA.ed. numeric
@attribute SM11_AEA.dm. numeric
@attribute SM14_EA.ed. numeric
@attribute Eig15_AEA.bo. numeric
@attribute SpMax1_Bh.e. numeric
@attribute AAC numeric
@attribute AMR numeric
@attribute AMW numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS2m numeric
@attribute ATS2p 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 ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC2p 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 ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6v numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7p 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.001 numeric
@attribute C.003 numeric
@attribute C.004 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.007 numeric
@attribute C.008 numeric
@attribute C.009 numeric
@attribute C.011 numeric
@attribute C.013 numeric
@attribute C.015 numeric
@attribute C.016 numeric
@attribute C.017 numeric
@attribute C.018 numeric
@attribute C.019 numeric
@attribute C.020 numeric
@attribute C.026 numeric
@attribute C.027 numeric
@attribute C.029 numeric
@attribute C.030 numeric
@attribute C.031 numeric
@attribute C.032 numeric
@attribute C.033 numeric
@attribute C.035 numeric
@attribute C.038 numeric
@attribute C.039 numeric
@attribute C.040 numeric
@attribute C.041 numeric
@attribute C.042 numeric
@attribute C.043 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_AP numeric
@attribute CATS2D_01_DN numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_01_NL numeric
@attribute CATS2D_01_PN numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AN 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_NL numeric
@attribute CATS2D_02_NN numeric
@attribute CATS2D_02_PL numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AN numeric
@attribute CATS2D_03_AP numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DD numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_DN numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_NL numeric
@attribute CATS2D_03_PL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_AN numeric
@attribute CATS2D_04_AP numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DD numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_DN numeric
@attribute CATS2D_04_DP numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_NL numeric
@attribute CATS2D_04_NN numeric
@attribute CATS2D_04_PL numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_AN numeric
@attribute CATS2D_05_AP numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DD numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_DN numeric
@attribute CATS2D_05_DP numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_05_NL numeric
@attribute CATS2D_05_PL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_AN numeric
@attribute CATS2D_06_AP numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DD numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_DN numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_NL numeric
@attribute CATS2D_06_PL numeric
@attribute CATS2D_06_PN numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_AN numeric
@attribute CATS2D_07_AP numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DD numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_DN numeric
@attribute CATS2D_07_DP numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_NN numeric
@attribute pXC50 numeric

@data
{1 1.477,2 4.156,3 3.135,4 0.328,6 3.35,7 3.441,8 4,9 0.656,10 1.5,12 10,13 13,14 3.807,15 0.206,16 0.553,18 90.114,19 5.346,20 5.668,21 6.025,22 6.336,23 6.694,24 6.626,25 6.773,26 14,27 1.463,28 1.348,29 0.381,31 2,32 35.225,33 2.589,34 1.231,35 0.41,36 0.216,37 3.378,38 -0.49,39 1.648,40 7.127,41 1.452,42 3.253,43 13,44 32.139,45 5,46 2.151,47 9.612,48 4.36,49 5.047,50 7.351,51 3.253,52 0.036,53 1.83,54 30.551,55 3.54,56 3.6,57 3.76,58 1.914,59 0.467,60 0.311,62 30.551,63 6.347,64 0.971,65 0.305,66 35,67 1.706,68 115.704,69 0.162,70 0.221,71 1.557,72 1,73 -0.382,74 0.139,75 0.107,76 3,77 61.074,78 16,79 1.329,80 4.679,81 4.679,82 0.087,83 6.424,84 30.551,85 49.611,86 5,87 1.874,88 0.744,89 10.279,90 22.9,91 3.9,92 -0.024,93 75.21,94 19.136,96 1.952,97 19.474,98 0.227,100 4.726,101 3.17,102 1.823,103 4.177,104 -3.014,105 53675,106 3.264,107 216.986,108 5.664,109 0.942,110 0.54,111 2,112 2.807,113 0.173,114 3.42,115 5.552,116 1.773,117 0.019,118 7.484,119 1,120 0.052,121 2.215,122 3.883,123 1.733,124 0.107,125 11.933,126 3.742,127 9.98,128 12.767,129 1.143,130 0.143,131 4.897,132 3.931,133 18.842,134 0.313,135 0.918,136 0.542,137 -0.452,138 -0.443,139 -0.452,140 245.18,141 3.714,142 40,143 136.347,144 318.198,145 1,146 0.858,147 1.561,148 2,149 4.579,150 4.579,151 7.579,152 4.579,153 0.903,154 0.74,155 1.603,156 7.258,157 4.437,158 3.439,159 3.439,160 15.503,161 16.684,162 17.878,163 19.07,164 5.439,165 4.437,166 3.439,168 0.117,169 0.033,170 6.762,172 1.062,174 5,175 3.472,176 3.472,177 0.091,178 15.28,179 16.459,180 -0.051,182 17.65,183 24.404,184 -4.14,185 14.097,186 18.968,187 24820,188 15.642,189 3.39,190 3.39,191 13.385,192 26.309,193 15.975,194 1.039,195 20.036,196 21.531,197 23.016,198 17.14,199 16.67,200 1.288,201 553.523,202 18.265,203 20.757,204 23.142,205 25.607,206 28.035,207 0.17,208 -0.1,209 3.493,210 19.672,211 6.809,212 5.472,213 -2.191,214 6.08,215 4.986,216 1,217 0.749,218 3,219 3,220 14.142,221 18.569,222 2.927,223 20.608,224 22.504,225 30.497,226 32.948,227 0.068,228 0.17,229 163.71,230 1.601,231 1.361,232 17.076,233 1.909,234 0.657,235 11.235,236 11.235,237 35.413,238 1,239 4.104,240 2.095,241 97.288,242 10.193,243 4.038,244 4.12,245 3.529,246 5.24,247 3.482,248 4.626,249 4.708,250 4.435,251 3.931,252 3.856,253 4.848,254 4.991,255 4.478,256 3.968,257 6.127,258 3.925,259 4.908,260 5.045,261 4.455,262 3.994,263 6.763,264 3.922,265 4.87,266 5.061,267 4.276,268 3.922,269 6.115,270 3.83,271 4.792,272 4.935,273 4.253,274 3.818,275 6.591,276 3.775,277 4.748,278 4.925,279 4.01,280 3.751,281 6.113,282 3.642,283 4.587,284 4.78,285 4.024,286 3.633,287 6.074,288 3.534,289 0.835,290 0.703,291 13.407,292 6.395,293 111.072,294 3.731,295 1.046,296 28.681,297 12.34,298 7.347,299 2.219,300 1.123,301 34.136,302 11.51,303 266.481,304 8.167,305 2.503,306 1.134,307 38.18,308 13.278,309 355.494,310 10.447,311 2.179,312 1.042,313 38.592,314 11.692,315 277.022,316 9.734,317 0.935,318 34.883,319 10.894,320 9.32,321 0.874,322 29.977,323 9.775,324 8.195,325 1.607,326 0.764,327 32.858,328 9.171,329 221.605,330 8.132,331 89,332 50,333 0.358,334 0.72,335 0.868,336 0.904,337 0.911,338 0.911,339 3.44,340 -0.82,341 -0.93,342 -1.04,347 1,348 1,349 2,350 1,361 1,362 1,371 1,372 1,373 1,374 1,375 1,377 6,379 4,383 7,385 1,386 9,387 1,388 1,392 2,394 3,395 6,396 1,397 2,400 5,404 8,405 3,406 1,407 2,408 11,409 3,415 1,417 2,419 3,421 1,424 4,427 1,429 3,430 2,431 2,432 1,433 9,434 3,435 2,439 1,444 2,447 1,451 5.301}
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