@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2994

@attribute molecule_id {CHEMBL11227,CHEMBL11236,CHEMBL11297,CHEMBL11344,CHEMBL11495,CHEMBL11537,CHEMBL11607,CHEMBL1161391,CHEMBL1161396,CHEMBL1161398,CHEMBL1161399,CHEMBL11616,CHEMBL11620,CHEMBL11806,CHEMBL2051772,CHEMBL2051773,CHEMBL2052007,CHEMBL2052008,CHEMBL267766,CHEMBL273672,CHEMBL273724,CHEMBL273748,CHEMBL273853,CHEMBL273898,CHEMBL275690,CHEMBL275980,CHEMBL276008,CHEMBL416522,CHEMBL6915}
@attribute GATS5i numeric
@attribute GATS7p numeric
@attribute MATS5i numeric
@attribute SdO numeric
@attribute MATS5p numeric
@attribute CATS2D_07_NL numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_NL numeric
@attribute JGI4 numeric
@attribute MATS7p numeric
@attribute GATS7i numeric
@attribute GATS6p numeric
@attribute IC2 numeric
@attribute Eig01_EA.ri. numeric
@attribute SpDiam_EA.ri. numeric
@attribute SpMax_EA.ri. numeric
@attribute CATS2D_09_AL numeric
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute AMW numeric
@attribute ARR numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute ATS2s numeric
@attribute ATS2v numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS3m numeric
@attribute ATS3p numeric
@attribute ATS3s numeric
@attribute ATS3v numeric
@attribute ATS4e numeric
@attribute ATS4i numeric
@attribute ATS4m numeric
@attribute ATS4p numeric
@attribute ATS4s numeric
@attribute ATS4v numeric
@attribute ATS5e numeric
@attribute ATS5i numeric
@attribute ATS5m numeric
@attribute ATS5p numeric
@attribute ATS5s numeric
@attribute ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6i numeric
@attribute ATS6m numeric
@attribute ATS6p numeric
@attribute ATS6s numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7i numeric
@attribute ATS7m numeric
@attribute ATS7p numeric
@attribute ATS7s numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC1e numeric
@attribute ATSC1i numeric
@attribute ATSC1m numeric
@attribute ATSC1p numeric
@attribute ATSC1s numeric
@attribute ATSC1v numeric
@attribute ATSC2e numeric
@attribute ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC2p numeric
@attribute ATSC2s numeric
@attribute ATSC2v numeric
@attribute ATSC3e numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC3p numeric
@attribute ATSC3s numeric
@attribute ATSC3v numeric
@attribute ATSC4e numeric
@attribute ATSC4i numeric
@attribute ATSC4m numeric
@attribute ATSC4p numeric
@attribute ATSC4s numeric
@attribute ATSC4v numeric
@attribute ATSC5e numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5s numeric
@attribute ATSC5v numeric
@attribute ATSC6e numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6s numeric
@attribute ATSC6v numeric
@attribute ATSC7e numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7p numeric
@attribute ATSC7s numeric
@attribute ATSC7v numeric
@attribute ATSC8e numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v numeric
@attribute BAC numeric
@attribute BBI numeric
@attribute BIC0 numeric
@attribute BIC1 numeric
@attribute BIC2 numeric
@attribute BIC3 numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute BID numeric
@attribute BLI numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.007 numeric
@attribute C.008 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.040 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_DN numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_01_NL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_DN numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_NL numeric
@attribute CATS2D_02_PL numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_AN 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_DA numeric
@attribute CATS2D_04_DD numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_DN numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_NL numeric
@attribute CATS2D_04_PL numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_AN numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DD numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_DN 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_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_NN numeric
@attribute CATS2D_06_PL numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_AN numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DD numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_DN numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_NN numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_AN numeric
@attribute CATS2D_08_AP numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DD numeric
@attribute CATS2D_08_DN numeric
@attribute CATS2D_08_DP numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_NN numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_09_AN numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_DD numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_DN numeric
@attribute CATS2D_09_LL numeric
@attribute CATS2D_09_NL 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 CMC.50 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr09 numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute Depressant.50 numeric
@attribute Depressant.80 numeric
@attribute DLS_02 numeric
@attribute DLS_03 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.ed. 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.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.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.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 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.dm. numeric
@attribute Eig15_EA.ed. numeric
@attribute Eig15_EA.ri. numeric
@attribute Eta_alpha numeric
@attribute Eta_alpha_A numeric
@attribute Eta_B numeric
@attribute Eta_B_A numeric
@attribute Eta_beta numeric
@attribute Eta_beta_A numeric
@attribute Eta_betaP numeric
@attribute Eta_betaP_A numeric
@attribute Eta_betaS numeric
@attribute Eta_betaS_A numeric
@attribute Eta_C numeric
@attribute Eta_C_A numeric
@attribute Eta_epsi numeric
@attribute Eta_epsi_A numeric
@attribute Eta_F numeric
@attribute Eta_F_A numeric
@attribute Eta_FL numeric
@attribute Eta_FL_A numeric
@attribute Eta_L numeric
@attribute Eta_L_A numeric
@attribute Eta_sh_p numeric
@attribute Eta_sh_y numeric
@attribute F.084 numeric
@attribute GATS1e numeric
@attribute GATS1i numeric
@attribute GATS1m numeric
@attribute GATS1p numeric
@attribute GATS1s numeric
@attribute GATS1v numeric
@attribute GATS2e numeric
@attribute GATS2i numeric
@attribute GATS2m numeric
@attribute GATS2p numeric
@attribute GATS2s numeric
@attribute GATS2v numeric
@attribute GATS3e numeric
@attribute GATS3i numeric
@attribute GATS3m numeric
@attribute GATS3p numeric
@attribute GATS3s numeric
@attribute GATS3v numeric
@attribute GATS4e numeric
@attribute GATS4i numeric
@attribute GATS4m numeric
@attribute GATS4p numeric
@attribute GATS4s numeric
@attribute GATS4v numeric
@attribute GATS5e numeric
@attribute GATS5m numeric
@attribute GATS5p numeric
@attribute GATS5s numeric
@attribute GATS5v numeric
@attribute GATS6e numeric
@attribute GATS6i numeric
@attribute GATS6m numeric
@attribute GATS6s numeric
@attribute GATS6v numeric
@attribute GATS7e numeric
@attribute GATS7m numeric
@attribute GATS7s numeric
@attribute GATS7v numeric
@attribute GATS8e numeric
@attribute GATS8i numeric
@attribute GATS8m numeric
@attribute GATS8p numeric
@attribute GATS8s numeric
@attribute GATS8v numeric
@attribute GGI1 numeric
@attribute GGI10 numeric
@attribute GGI2 numeric
@attribute GGI3 numeric
@attribute GGI4 numeric
@attribute GGI5 numeric
@attribute GGI6 numeric
@attribute GGI7 numeric
@attribute GGI8 numeric
@attribute GGI9 numeric
@attribute GMTI numeric
@attribute GMTIV numeric
@attribute GNar numeric
@attribute H. numeric
@attribute H.046 numeric
@attribute H.047 numeric
@attribute H.048 numeric
@attribute H.050 numeric
@attribute H.051 numeric
@attribute H.052 numeric
@attribute HDcpx numeric
@attribute HNar numeric
@attribute HVcpx numeric
@attribute Hy numeric
@attribute Hypertens.50 numeric
@attribute Hypnotic.50 numeric
@attribute Hypnotic.80 numeric
@attribute IAC numeric
@attribute IC0 numeric
@attribute IC1 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 Inflammat.80 numeric
@attribute ISIZ numeric
@attribute IVDE numeric
@attribute IVDM numeric
@attribute pXC50 numeric

@data
{1 1.001,2 1.093,4 24.286,5 0.005,6 2,7 2,8 2,9 0.046,10 -0.038,11 0.98,12 1.039,13 4.454,14 3.055,15 5.055,16 3.055,17 2,18 1.602,19 11.37,20 3.192,21 10.19,22 104.371,23 7.79,24 0.429,25 3.986,26 4.083,27 3.551,28 3.538,29 5.208,30 3.499,31 4.471,32 4.61,33 3.885,34 3.917,35 5.719,36 3.849,37 4.824,38 5.007,39 4.008,40 4.096,41 5.988,42 4.003,43 4.953,44 5.16,45 4.047,46 4.122,47 6.128,48 4.007,49 4.956,50 5.188,51 4.031,52 4.104,53 6.206,54 3.977,55 4.893,56 5.1,57 4.035,58 4.05,59 6.118,60 3.942,61 4.863,62 5.061,63 3.986,64 3.952,65 6.189,66 3.856,67 4.724,68 4.932,69 3.827,70 3.829,71 6.159,72 3.722,73 0.117,74 0.654,75 10.906,76 5.127,77 25.097,78 5.951,79 0.251,80 1.044,81 18.749,82 8.401,83 54.504,84 10.394,85 0.476,86 1.387,87 28.584,88 11.157,89 87.195,90 13.947,91 0.582,92 1.541,93 36.192,94 12.437,95 116.041,96 15.538,97 0.675,98 1.546,99 38.924,100 13.133,101 141.667,102 16.538,103 0.542,104 1.425,105 35.916,106 12.264,107 111.195,108 14.522,109 0.739,110 1.318,111 37.959,112 11.738,113 143.596,114 13.271,115 0.842,116 1.13,117 30.249,118 10.029,119 157.221,120 12.171,121 54,122 38,123 0.272,124 0.624,125 0.757,126 0.814,127 0.841,128 0.862,129 3.34,130 0.981,131 -3.58,132 -3.56,133 -3.39,134 40,135 1,136 1,137 2,139 1,141 1,142 8,143 2,144 2,145 2,149 1,150 1,151 12,154 1,155 2,156 6,157 1,158 15,159 1,162 2,164 1,165 1,166 7,168 12,169 1,172 4,173 1,176 7,178 5,179 3,181 1,182 6,184 1,186 9,188 2,189 3,192 7,196 7,198 5,199 2,203 4,206 1,207 2,208 1,209 8,212 2,215 2,216 2,219 10,223 1,225 3,227 10,229 1176,230 17.577,231 17.577,232 17.577,233 17.577,234 17.577,235 15.736,236 17.469,237 10.264,238 17.723,239 13.673,240 13.673,241 13.673,242 13.673,243 13.673,244 10.956,245 12.31,246 4.754,247 13.94,248 4.042,249 1.975,250 1.19,251 0.855,252 0.695,253 0.575,254 3.998,255 1,256 627,257 4.472,259 219.027,261 1.597,262 43.241,265 1,266 1,267 0.83,268 1,269 0.98,270 59.5,271 307,272 4.235,273 3.855,274 6.578,275 4.063,276 3.066,277 3.694,278 10.26,279 4.066,280 3.699,281 6.001,282 3.791,283 2.804,284 3.624,285 1.906,286 8.558,287 2.76,288 3.921,289 3.236,290 5.623,291 3.537,292 2.552,293 3.217,294 0.262,295 7.33,296 2.512,297 3.769,298 2.991,299 5.346,300 3.437,301 2.455,302 2.99,304 6.822,305 2.403,306 3.457,307 2.816,308 5.003,309 3.107,310 2.129,311 2.712,313 5.89,314 2.067,315 3.375,316 2.546,317 4.87,318 2.995,319 2.023,320 2.639,321 5.601,322 1.952,323 2.761,324 2.452,325 4.386,326 2.458,327 1.475,328 1.755,329 3.893,330 1.432,331 2.5,332 1.929,333 3.691,334 2.02,335 1.019,336 1.5,337 2.491,338 1.003,339 2.5,340 1.684,341 3.414,342 2,343 1,344 1.5,345 2.275,346 1,347 2.359,348 1,349 3.414,350 2,351 1,352 1.229,353 2.275,354 1,355 1.951,356 1,357 3.379,358 1.767,359 0.844,360 0.905,361 1.674,362 0.759,363 1.351,364 0.818,365 2.783,366 1.071,367 0.119,368 0.136,369 0.265,370 0.111,371 1.084,372 0.578,373 2.372,374 0.75,375 -0.154,376 -0.175,377 -0.276,378 -0.135,379 0.838,380 0.513,381 2.158,382 0.576,383 -0.341,384 -0.385,385 -0.678,386 -0.309,387 0.779,388 0.133,389 2,390 0.464,391 -0.529,392 -0.644,394 -1.25,395 -0.512,396 12.9,397 0.478,398 0.774,399 0.029,400 31.75,401 1.176,402 16,403 0.593,404 15.75,405 0.583,406 25.594,407 0.948,408 30.3,409 0.606,410 25.144,411 0.931,412 6.025,413 0.223,414 6.787,415 0.251,416 0.233,417 0.349,419 0.876,420 1.055,421 0.904,422 0.978,423 0.825,424 0.934,425 0.485,426 1.219,427 0.89,428 1.154,429 0.489,430 1.112,431 0.883,432 1.081,433 0.926,434 1.001,435 0.916,436 1.084,437 1.039,438 1.121,439 0.998,440 1.04,441 1.062,442 1.08,443 0.742,444 0.988,445 1.002,446 0.764,447 0.943,448 1.155,449 1.044,450 1.084,451 1.172,452 0.98,453 1.433,454 1.231,455 1.491,456 0.981,457 1.019,458 0.828,459 0.936,460 0.874,461 1.049,462 0.921,463 6.5,464 0.14,465 3.556,466 2,467 1.684,468 0.965,469 0.813,470 0.589,471 0.283,472 0.202,473 8032,474 27068,475 1.913,476 46,477 4,478 11,480 5,481 1,482 2,483 1.704,484 1.742,485 3.459,486 2.511,487 1,490 80.103,491 1.602,492 3.669,493 4.789,494 4.949,495 5.069,496 2.893,497 4.208,498 4.726,499 3.586,500 1258.64,501 8.22,502 16373.8,504 1,505 282.193,506 1.561,507 4.65,508 8.102}
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{0 CHEMBL11616,1 1.003,2 1.083,3 -0.001,4 24.259,6 2,7 2,8 2,9 0.041,10 -0.025,11 0.967,12 1.027,13 4.471,14 3.052,15 5.052,16 3.052,17 2,18 1.564,19 10.731,20 3.46,21 11.968,22 102.677,23 7.623,24 0.444,25 3.955,26 4.058,27 3.511,28 3.531,29 5.136,30 3.48,31 4.451,32 4.598,33 3.831,34 3.907,35 5.653,36 3.824,37 4.796,38 4.991,39 3.954,40 4.079,41 5.902,42 3.972,43 4.918,44 5.129,45 4.018,46 4.103,47 6.074,48 3.982,49 4.934,50 5.165,51 4.007,52 4.092,53 6.188,54 3.96,55 4.877,56 5.092,57 3.987,58 4.04,59 6.071,60 3.917,61 4.824,62 5.036,63 3.927,64 3.929,65 6.114,66 3.813,67 4.654,68 4.87,69 3.665,70 3.794,71 5.974,72 3.667,73 0.067,74 0.639,75 10.824,76 5.046,77 18.146,78 6.058,79 0.213,80 1.027,81 18.89,82 8.314,83 51.506,84 10.502,85 0.368,86 1.367,87 28.3,88 11.062,89 73.905,90 14.12,91 0.444,92 1.512,93 35.236,94 12.206,95 98.323,96 15.327,97 0.577,98 1.531,99 38.043,100 12.977,101 132.104,102 16.234,103 0.421,104 1.424,105 35.673,106 12.303,107 97.875,108 14.708,109 0.575,110 1.3,111 36.907,112 11.686,113 118.971,114 13.497,115 0.591,116 1.085,117 28.077,118 9.697,119 119.907,120 11.79,121 41,122 36,123 0.267,124 0.609,125 0.763,126 0.849,127 0.872,128 0.872,129 3.304,130 1.002,131 -4.09,132 -4.03,133 -3.82,134 40.8,135 1,136 1,137 2,139 1,141 1,142 9,143 2,144 1,145 2,149 1,150 1,151 14,154 1,155 2,156 4,157 1,158 17,159 1,162 2,164 1,165 1,166 5,168 13,169 1,172 4,173 1,176 6,178 6,179 3,181 1,182 6,184 1,186 8,188 4,189 3,192 7,196 5,198 5,199 2,203 5,206 1,207 3,208 1,209 8,212 2,215 1,216 1,219 10,223 1,225 3,227 11,228 1,229 1040,230 17.129,231 17.129,232 17.129,233 17.129,234 17.129,235 15.314,236 15.313,237 10.178,238 17.235,239 13.207,240 13.207,241 13.207,242 13.207,243 13.207,244 10.551,245 11.148,246 4.717,247 13.393,248 4.051,249 2.046,250 1.144,251 0.643,252 0.505,253 0.505,254 3.963,255 1,256 571,257 4.416,259 209.927,261 1.521,262 36.502,264 1,265 1,266 1,267 1,268 1,269 1,270 56.5,271 279,272 4.218,273 3.855,274 6.577,275 4.06,276 3.062,277 3.626,278 10.257,279 4.06,280 3.699,281 6.001,282 3.788,283 2.8,284 3.587,285 1.906,286 8.556,287 2.757,288 3.882,289 3.236,290 5.606,291 3.514,292 2.531,293 3.167,294 0.262,295 7.257,296 2.487,297 3.698,298 2.966,299 5.345,300 3.367,301 2.366,302 2.927,304 6.797,305 2.358,306 3.376,307 2.816,308 4.871,309 2.997,310 2.027,311 2.646,313 5.606,314 1.954,315 3.085,316 2.453,317 4.459,318 2.712,319 1.707,320 2.245,321 4.161,322 1.709,323 2.647,324 1.95,325 3.8,326 2.308,327 1.333,328 1.64,329 3.036,330 1.286,331 2.5,332 1.886,333 3.546,334 2,335 1,336 1.5,337 2.37,338 1,339 2.5,340 1.38,341 3.414,342 2,343 1,344 1.5,345 2.275,346 1,347 2.346,348 1,349 3.247,350 1.989,351 0.983,352 1.208,353 2.136,354 0.972,355 1.897,356 1,357 3.232,358 1.698,359 0.767,360 0.843,361 1.511,362 0.697,363 1.351,364 0.684,365 2.781,366 1.07,367 0.116,368 0.133,369 0.261,370 0.109,371 0.906,372 0.555,373 2.294,374 0.645,375 -0.237,376 -0.254,377 -0.398,378 -0.205,379 0.802,380 0.499,381 2.126,382 0.469,383 -0.523,384 -0.639,385 -1.248,386 -0.506,387 0.615,388 0.104,389 2,390 0.244,391 -0.755,392 -0.964,394 -1.612,395 -0.754,396 12.567,397 0.483,398 0.668,399 0.026,400 30.5,401 1.173,402 15.5,403 0.596,404 15,405 0.577,406 24.458,407 0.941,408 28.833,409 0.588,410 23.265,411 0.895,412 5.784,413 0.222,414 6.634,415 0.255,416 0.212,417 0.318,419 0.816,420 1.069,421 0.905,422 0.993,423 0.763,424 0.954,425 0.461,426 1.203,427 0.92,428 1.142,429 0.483,430 1.121,431 0.854,432 1.061,433 0.907,434 0.982,435 0.905,436 1.063,437 1.112,438 1.119,439 0.991,440 1.035,441 1.125,442 1.061,443 0.849,444 1.017,445 1.002,446 0.85,447 0.943,448 1.232,449 1.03,450 1.091,451 1.237,452 0.974,453 1.412,454 1.193,455 1.468,456 0.954,457 1.179,458 0.835,459 1.041,460 0.889,461 1.201,462 0.941,463 5.5,464 0.099,465 3.111,466 1.938,467 1.493,468 0.854,469 0.733,470 0.495,471 0.267,472 0.171,473 7227,474 22457,475 1.931,476 46.9,477 4,478 12,480 4,481 1,482 2,483 1.694,484 1.773,485 3.39,486 1.697,490 76.64,491 1.564,492 3.568,493 4.972,494 5.11,495 5.11,496 2.855,497 4.162,498 4.673,499 3.518,500 1143.37,501 8.115,502 14452.3,504 1,505 275.121,506 1.526,507 4.606,508 8.367}
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