@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3105

@attribute molecule_id 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@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute AMW numeric
@attribute ARR numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute ATS2s numeric
@attribute ATS2v numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS3m numeric
@attribute ATS3p numeric
@attribute ATS3s numeric
@attribute ATS3v numeric
@attribute ATS4e numeric
@attribute ATS4i numeric
@attribute ATS4m numeric
@attribute ATS4p numeric
@attribute ATS4s numeric
@attribute ATS4v numeric
@attribute ATS5e numeric
@attribute ATS5i numeric
@attribute ATS5m numeric
@attribute ATS5p numeric
@attribute ATS5s numeric
@attribute ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6i numeric
@attribute ATS6m numeric
@attribute ATS6p numeric
@attribute ATS6s numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7i numeric
@attribute ATS7m numeric
@attribute ATS7p numeric
@attribute ATS7s numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC1e numeric
@attribute ATSC1i numeric
@attribute ATSC1m numeric
@attribute ATSC1p numeric
@attribute ATSC1s numeric
@attribute ATSC1v numeric
@attribute ATSC2e numeric
@attribute ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC2p numeric
@attribute ATSC2s numeric
@attribute ATSC2v numeric
@attribute ATSC3e numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC3p numeric
@attribute ATSC3s numeric
@attribute ATSC3v numeric
@attribute ATSC4e numeric
@attribute ATSC4i numeric
@attribute ATSC4m numeric
@attribute ATSC4p numeric
@attribute ATSC4s numeric
@attribute ATSC4v numeric
@attribute ATSC5e numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5s numeric
@attribute ATSC5v numeric
@attribute ATSC6e numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6s numeric
@attribute ATSC6v numeric
@attribute ATSC7e numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7p numeric
@attribute ATSC7s numeric
@attribute ATSC7v numeric
@attribute ATSC8e numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v numeric
@attribute BAC numeric
@attribute BBI numeric
@attribute BIC0 numeric
@attribute BIC1 numeric
@attribute BIC2 numeric
@attribute BIC3 numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute BID numeric
@attribute BLI numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute Br.091 numeric
@attribute Br.094 numeric
@attribute Br.095 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.004 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.007 numeric
@attribute C.008 numeric
@attribute C.009 numeric
@attribute C.010 numeric
@attribute C.011 numeric
@attribute C.013 numeric
@attribute C.014 numeric
@attribute C.015 numeric
@attribute C.016 numeric
@attribute C.017 numeric
@attribute C.018 numeric
@attribute C.019 numeric
@attribute C.021 numeric
@attribute C.022 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.027 numeric
@attribute C.028 numeric
@attribute C.029 numeric
@attribute C.030 numeric
@attribute C.031 numeric
@attribute C.032 numeric
@attribute C.033 numeric
@attribute C.034 numeric
@attribute C.035 numeric
@attribute C.037 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 C.044 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_DA numeric
@attribute CATS2D_01_DD numeric
@attribute CATS2D_01_DN numeric
@attribute CATS2D_01_DP numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_01_NL numeric
@attribute CATS2D_01_PN numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL 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_DN numeric
@attribute CATS2D_02_DP numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_NL numeric
@attribute CATS2D_02_PL numeric
@attribute CATS2D_02_PN numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL 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_DP numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_NL numeric
@attribute CATS2D_03_PL numeric
@attribute CATS2D_03_PP 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_PL numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_AN numeric
@attribute CATS2D_05_AP numeric
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@attribute SM04_AEA.ri. numeric
@attribute SM04_EA numeric
@attribute SM04_EA.bo. numeric
@attribute SM04_EA.dm. numeric
@attribute SM04_EA.ed. numeric
@attribute SM04_EA.ri. numeric
@attribute SM05_AEA.bo. numeric
@attribute SM05_AEA.dm. numeric
@attribute SM05_AEA.ed. numeric
@attribute SM05_AEA.ri. numeric
@attribute SM05_EA numeric
@attribute SM05_EA.bo. numeric
@attribute SM05_EA.dm. numeric
@attribute SM05_EA.ed. numeric
@attribute SM05_EA.ri. numeric
@attribute SM06_AEA.bo. numeric
@attribute SM06_AEA.dm. numeric
@attribute SM06_AEA.ed. numeric
@attribute SM06_AEA.ri. numeric
@attribute SM06_EA numeric
@attribute SM06_EA.bo. numeric
@attribute SM06_EA.dm. numeric
@attribute SM06_EA.ed. numeric
@attribute SM06_EA.ri. numeric
@attribute SM07_AEA.bo. numeric
@attribute SM07_AEA.dm. numeric
@attribute SM07_AEA.ed. numeric
@attribute SM07_AEA.ri. numeric
@attribute SM07_EA numeric
@attribute SM07_EA.bo. numeric
@attribute SM07_EA.dm. numeric
@attribute SM07_EA.ed. numeric
@attribute SM07_EA.ri. numeric
@attribute SM08_AEA.bo. numeric
@attribute SM08_AEA.dm. numeric
@attribute SM08_AEA.ed. numeric
@attribute SM08_AEA.ri. numeric
@attribute SM08_EA numeric
@attribute SM08_EA.bo. numeric
@attribute SM08_EA.dm. numeric
@attribute SM08_EA.ed. numeric
@attribute SM08_EA.ri. numeric
@attribute SM09_AEA.bo. numeric
@attribute SM09_AEA.dm. numeric
@attribute SM09_AEA.ed. numeric
@attribute SM09_AEA.ri. numeric
@attribute SM09_EA numeric
@attribute SM09_EA.bo. numeric
@attribute SM09_EA.dm. numeric
@attribute SM09_EA.ed. numeric
@attribute SM09_EA.ri. numeric
@attribute SM10_AEA.bo. numeric
@attribute SM10_AEA.dm. numeric
@attribute SM10_AEA.ed. numeric
@attribute SM10_AEA.ri. numeric
@attribute SM10_EA numeric
@attribute SM10_EA.bo. numeric
@attribute SM10_EA.dm. 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_AEA.ri. numeric
@attribute SM11_EA numeric
@attribute SM11_EA.bo. numeric
@attribute SM11_EA.dm. 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_AEA.ri. numeric
@attribute SM12_EA numeric
@attribute SM12_EA.bo. numeric
@attribute SM12_EA.dm. 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.dm. 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.bo. numeric
@attribute SM14_EA.dm. 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_AEA.ri. numeric
@attribute SM15_EA numeric
@attribute SM15_EA.bo. numeric
@attribute SM15_EA.dm. numeric
@attribute SM15_EA.ed. numeric
@attribute SM15_EA.ri. numeric
@attribute SMTI numeric
@attribute SMTIV numeric
@attribute SNar numeric
@attribute Sp numeric
@attribute SpAD_AEA.bo. numeric
@attribute SpAD_AEA.dm. numeric
@attribute SpAD_AEA.ed. numeric
@attribute SpAD_AEA.ri. numeric
@attribute SpAD_EA numeric
@attribute SpAD_EA.bo. numeric
@attribute SpAD_EA.dm. numeric
@attribute SpAD_EA.ed. numeric
@attribute SpAD_EA.ri. numeric
@attribute SpDiam_AEA.bo. numeric
@attribute SpDiam_AEA.dm. numeric
@attribute SpDiam_AEA.ed. numeric
@attribute SpDiam_AEA.ri. numeric
@attribute SpDiam_EA numeric
@attribute SpDiam_EA.bo. numeric
@attribute SpDiam_EA.dm. numeric
@attribute SpDiam_EA.ed. numeric
@attribute SpDiam_EA.ri. numeric
@attribute SPI numeric
@attribute SpMAD_AEA.bo. numeric
@attribute SpMAD_AEA.dm. numeric
@attribute SpMAD_AEA.ed. numeric
@attribute SpMAD_AEA.ri. numeric
@attribute SpMAD_EA numeric
@attribute SpMAD_EA.bo. numeric
@attribute SpMAD_EA.dm. numeric
@attribute SpMAD_EA.ed. numeric
@attribute SpMAD_EA.ri. numeric
@attribute SpMax1_Bh.e. numeric
@attribute SpMax1_Bh.i. numeric
@attribute SpMax1_Bh.m. numeric
@attribute SpMax1_Bh.p. numeric
@attribute SpMax1_Bh.s. numeric
@attribute SpMax1_Bh.v. numeric
@attribute SpMax2_Bh.e. numeric
@attribute SpMax2_Bh.i. numeric
@attribute SpMax2_Bh.m. numeric
@attribute SpMax2_Bh.p. numeric
@attribute SpMax2_Bh.s. numeric
@attribute SpMax2_Bh.v. numeric
@attribute SpMax3_Bh.e. numeric
@attribute SpMax3_Bh.i. numeric
@attribute SpMax3_Bh.m. numeric
@attribute SpMax3_Bh.p. numeric
@attribute SpMax3_Bh.s. numeric
@attribute SpMax3_Bh.v. numeric
@attribute SpMax4_Bh.e. numeric
@attribute SpMax4_Bh.i. numeric
@attribute SpMax4_Bh.m. numeric
@attribute SpMax4_Bh.p. numeric
@attribute SpMax4_Bh.s. numeric
@attribute SpMax4_Bh.v. numeric
@attribute SpMax5_Bh.e. numeric
@attribute SpMax5_Bh.i. numeric
@attribute SpMax5_Bh.m. numeric
@attribute SpMax5_Bh.p. numeric
@attribute SpMax5_Bh.s. numeric
@attribute SpMax5_Bh.v. numeric
@attribute SpMax6_Bh.e. numeric
@attribute SpMax6_Bh.i. numeric
@attribute SpMax6_Bh.m. numeric
@attribute SpMax6_Bh.p. numeric
@attribute SpMax6_Bh.s. numeric
@attribute SpMax6_Bh.v. numeric
@attribute SpMax7_Bh.e. numeric
@attribute SpMax7_Bh.i. numeric
@attribute SpMax7_Bh.m. numeric
@attribute SpMax7_Bh.p. numeric
@attribute SpMax7_Bh.s. numeric
@attribute SpMax7_Bh.v. numeric
@attribute SpMax8_Bh.e. numeric
@attribute SpMax8_Bh.i. numeric
@attribute SpMax8_Bh.m. numeric
@attribute SpMax8_Bh.p. numeric
@attribute SpMax8_Bh.s. numeric
@attribute SpMax8_Bh.v. numeric
@attribute SpMaxA_AEA.bo. numeric
@attribute SpMaxA_AEA.dm. numeric
@attribute SpMaxA_AEA.ed. numeric
@attribute SpMaxA_AEA.ri. numeric
@attribute SpMaxA_EA numeric
@attribute SpMax_AEA.bo. numeric
@attribute SpMaxA_EA.bo. numeric
@attribute SpMax_AEA.dm. numeric
@attribute SpMaxA_EA.dm. numeric
@attribute SpMax_AEA.ed. numeric
@attribute SpMaxA_EA.ed. numeric
@attribute SpMax_AEA.ri. numeric
@attribute SpMaxA_EA.ri. numeric
@attribute SpMax_EA numeric
@attribute SpMax_EA.bo. numeric
@attribute SpMax_EA.dm. numeric
@attribute SpMax_EA.ed. numeric
@attribute SpMax_EA.ri. numeric
@attribute SpMin1_Bh.e. numeric
@attribute SpMin1_Bh.i. numeric
@attribute SpMin1_Bh.m. numeric
@attribute SpMin1_Bh.p. numeric
@attribute SpMin1_Bh.s. numeric
@attribute SpMin1_Bh.v. numeric
@attribute SpMin2_Bh.e. numeric
@attribute SpMin2_Bh.i. numeric
@attribute SpMin2_Bh.m. numeric
@attribute SpMin2_Bh.p. numeric
@attribute SpMin2_Bh.s. numeric
@attribute SpMin2_Bh.v. numeric
@attribute SpMin3_Bh.e. numeric
@attribute SpMin3_Bh.i. numeric
@attribute SpMin3_Bh.m. numeric
@attribute SpMin3_Bh.p. numeric
@attribute SpMin3_Bh.s. numeric
@attribute SpMin3_Bh.v. numeric
@attribute SpMin4_Bh.e. numeric
@attribute SpMin4_Bh.i. numeric
@attribute SpMin4_Bh.m. numeric
@attribute SpMin4_Bh.p. numeric
@attribute SpMin4_Bh.s. numeric
@attribute SpMin4_Bh.v. numeric
@attribute SpMin5_Bh.e. numeric
@attribute SpMin5_Bh.i. numeric
@attribute SpMin5_Bh.m. numeric
@attribute SpMin5_Bh.p. numeric
@attribute SpMin5_Bh.s. numeric
@attribute SpMin5_Bh.v. numeric
@attribute SpMin6_Bh.e. numeric
@attribute SpMin6_Bh.i. numeric
@attribute SpMin6_Bh.m. numeric
@attribute SpMin6_Bh.p. numeric
@attribute SpMin6_Bh.s. numeric
@attribute SpMin6_Bh.v. numeric
@attribute SpMin7_Bh.e. numeric
@attribute SpMin7_Bh.i. numeric
@attribute SpMin7_Bh.m. numeric
@attribute SpMin7_Bh.p. numeric
@attribute SpMin7_Bh.s. numeric
@attribute SpMin7_Bh.v. numeric
@attribute SpMin8_Bh.e. numeric
@attribute SpMin8_Bh.i. numeric
@attribute SpMin8_Bh.m. numeric
@attribute SpMin8_Bh.p. numeric
@attribute SpMin8_Bh.s. numeric
@attribute SpMin8_Bh.v. numeric
@attribute SRW02 numeric
@attribute SRW03 numeric
@attribute SRW04 numeric
@attribute SRW05 numeric
@attribute SRW06 numeric
@attribute SRW07 numeric
@attribute SRW08 numeric
@attribute SRW09 numeric
@attribute SRW10 numeric
@attribute SsBr numeric
@attribute SsCH3 numeric
@attribute SsCl numeric
@attribute SsF numeric
@attribute SsI numeric
@attribute SsNH2 numeric
@attribute SsOH numeric
@attribute SssCH2 numeric
@attribute SsSH numeric
@attribute SssNH numeric
@attribute SssO numeric
@attribute SssS numeric
@attribute SsssCH numeric
@attribute SsssN numeric
@attribute SssssC numeric
@attribute SssssN. numeric
@attribute SssssSi numeric
@attribute StCH numeric
@attribute StN numeric
@attribute StsC numeric
@attribute Sv numeric
@attribute TIC0 numeric
@attribute TIC1 numeric
@attribute TIC2 numeric
@attribute TIC3 numeric
@attribute TIC4 numeric
@attribute TIC5 numeric
@attribute TIE numeric
@attribute TPC numeric
@attribute TPSA.NO. numeric
@attribute TPSA.Tot. numeric
@attribute TRS numeric
@attribute TWC numeric
@attribute Uc numeric
@attribute Ui numeric
@attribute Uindex numeric
@attribute UNIP numeric
@attribute VAR numeric
@attribute Vindex numeric
@attribute VvdwMG numeric
@attribute VvdwZAZ numeric
@attribute Vx numeric
@attribute Wap numeric
@attribute X. numeric
@attribute X0 numeric
@attribute X0A numeric
@attribute X0Av numeric
@attribute X0sol numeric
@attribute X0v numeric
@attribute X1 numeric
@attribute X1A numeric
@attribute X1Av numeric
@attribute X1Kup numeric
@attribute X1Mad numeric
@attribute X1MulPer numeric
@attribute X1Per numeric
@attribute X1sol numeric
@attribute X1v numeric
@attribute X2 numeric
@attribute X2A numeric
@attribute X2Av numeric
@attribute X2sol numeric
@attribute X2v numeric
@attribute X3 numeric
@attribute X3A numeric
@attribute X3Av numeric
@attribute X3sol numeric
@attribute X3v numeric
@attribute X4 numeric
@attribute X4A numeric
@attribute X4Av numeric
@attribute X4sol numeric
@attribute X4v numeric
@attribute X5 numeric
@attribute X5A numeric
@attribute X5Av numeric
@attribute X5sol numeric
@attribute X5v numeric
@attribute Xindex numeric
@attribute XMOD numeric
@attribute Xt numeric
@attribute Xu numeric
@attribute Yindex numeric
@attribute ZM1 numeric
@attribute ZM1Kup numeric
@attribute ZM1Mad numeric
@attribute ZM1MulPer numeric
@attribute ZM1Per numeric
@attribute ZM1V numeric
@attribute ZM2 numeric
@attribute ZM2Kup numeric
@attribute ZM2Mad numeric
@attribute ZM2MulPer numeric
@attribute ZM2Per numeric
@attribute ZM2V numeric
@attribute pXC50 numeric

@data
{1 1.722,2 16.686,3 0.142,4 0.02,5 134.359,6 7.601,7 0.158,8 4.286,9 4.416,10 3.895,11 3.767,12 5.343,13 3.741,14 4.88,15 5.076,16 4.231,17 4.178,18 5.935,19 4.11,20 5.159,21 5.387,22 4.298,23 4.324,24 6.173,25 4.245,26 5.211,27 5.438,28 4.274,29 4.294,30 6.34,31 4.214,32 5.214,33 5.469,34 4.108,35 4.26,36 6.275,37 4.135,38 5.13,39 5.396,40 3.947,41 4.144,42 6.095,43 4.004,44 4.967,45 5.223,46 3.839,47 4.004,48 6.003,49 3.876,50 4.867,51 5.117,52 3.797,53 3.925,54 5.912,55 3.811,56 0.085,57 1.048,58 14.302,59 5.721,60 10.228,61 7.806,62 0.616,63 1.657,64 32.403,65 10.227,66 41.099,67 14.078,68 0.704,69 1.927,70 42.444,71 12.806,72 74.489,73 18.19,74 0.957,75 1.909,76 45.343,77 12.115,78 129.987,79 17.924,80 1.006,81 1.817,82 46.44,83 13.538,84 134.744,85 19.445,86 0.819,87 1.61,88 45.207,89 12.824,90 105.1,91 18.202,92 0.773,93 1.382,94 37.421,95 11.014,96 100.573,97 15.551,98 0.639,99 1.279,100 33.651,101 9.927,102 79.533,103 13.846,104 17,105 51,106 0.275,107 0.57,108 0.774,109 0.839,110 0.858,111 0.858,112 3.587,113 1.04,114 -2.44,115 -2.47,116 -2.42,120 34.8,122 5,126 8,136 1,138 1,141 1,144 2,149 1,156 3,157 1,170 3,173 5,174 7,177 4,179 2,182 5,186 1,187 2,190 2,192 1,194 1,198 2,199 9,204 4,207 2,210 5,211 5,216 2,219 2,224 5,227 1,229 1,232 3,236 3,237 5,240 1,242 1,245 3,249 1,250 4,253 2,258 1,262 1,263 5,266 2,267 1,268 2,271 1,276 2419,277 23.811,278 23.811,279 23.811,280 23.811,281 23.811,282 22.293,283 30.277,284 14.377,285 24.494,286 18.748,287 18.748,288 18.748,289 18.748,290 18.748,291 16.195,292 35.349,293 6.821,294 19.752,295 4.322,296 2.475,297 1.193,298 0.788,299 0.667,300 0.667,301 4.284,308 1267,309 4.123,313 499.339,317 191.066,320 2.741,321 47.265,324 0.5,325 0.67,326 0.5,327 0.8,328 1,329 0.5,330 0.5,331 0.64,332 77.5,333 584,334 4.488,335 4.287,336 6.789,337 4.164,338 3.198,339 3.888,340 3.272,341 11.134,342 3.086,343 4.097,344 3.826,345 6.165,346 3.838,347 2.91,348 3.551,349 1.995,350 9.109,351 2.714,352 3.926,353 3.74,354 5.986,355 3.635,356 2.694,357 3.115,358 1.897,359 8.45,360 2.517,361 3.676,362 3.554,363 5.863,364 3.397,365 2.419,366 2.842,367 1.718,368 7.834,369 2.36,370 3.633,371 3.392,372 5.187,373 3.354,374 2.35,375 2.799,376 1.008,377 6.093,378 2.335,379 3.392,380 3.096,381 5.037,382 3.072,383 2.093,384 2.494,385 0.8,386 6.068,387 2.033,388 3.217,389 2.843,390 4.537,391 2.862,392 1.907,393 2.39,394 0.692,395 4.746,396 1.814,397 2.778,398 2.527,399 4.114,400 2.661,401 1.667,402 1.804,403 0.602,404 3.687,405 1.654,406 2.727,407 2.327,408 3.92,409 2.448,410 1.47,411 1.714,412 0.183,413 3.46,414 1.428,415 2.516,416 1.901,417 3.784,418 2.269,419 1.419,420 1.5,421 0.076,422 3.083,423 1.187,424 2.5,425 1.88,426 3.625,427 2.044,428 1.107,429 1.496,431 2.654,432 1.027,433 2.338,434 1.569,435 3.494,436 1.994,437 1.044,438 1.294,440 2.581,441 0.97,442 2.236,443 1.438,444 3.423,445 1.967,446 1,447 1.095,449 2.275,450 0.965,451 2.099,452 1.225,453 3.414,454 1.933,455 1,456 1.072,458 2.164,459 0.919,460 2,461 1.146,462 3.247,463 1.917,464 0.936,465 1,467 2.136,468 0.916,469 16.467,470 0.47,471 0.733,472 0.021,473 38.25,474 1.093,475 14,476 0.4,477 24.25,478 0.693,479 36.34,480 1.038,481 39.933,482 0.605,483 29.148,484 0.833,485 6.908,486 0.197,487 10.117,488 0.289,489 0.081,491 0.285,497 0.708,498 1.661,499 0.761,500 1.187,501 0.49,502 1.07,503 0.614,504 1.134,505 1.086,506 1.155,507 0.485,508 1.058,509 0.997,510 1.051,511 0.935,512 0.977,513 0.915,514 0.979,515 1.237,516 1.089,517 0.99,518 1.007,519 1.228,520 1.074,521 1.025,522 0.871,523 0.962,524 0.906,525 1.067,526 1.019,527 1.119,528 0.884,529 1.001,530 0.951,531 1.174,532 0.994,533 1.042,534 0.882,535 0.971,536 0.934,537 1.179,538 0.989,539 1.108,540 0.897,541 0.993,542 0.961,543 1.197,544 0.988,545 5.5,546 0.161,547 4.222,548 2.25,549 1.551,550 1.007,551 0.626,552 0.318,553 0.296,554 0.228,555 23052,556 66474,557 2.075,558 47,559 4,560 17,562 2,563 2,564 2,565 2,566 2,568 1.758,569 1.963,570 3.955,571 0.276,577 113.657,578 1.722,579 3.57,580 4.852,581 5.257,582 5.378,583 5.378,584 3.368,585 4.786,586 5.106,587 4.218,588 2509.78,589 8.904,590 44271.8,595 398.93,596 1.316,597 5.07,598 0.145,599 0.006,600 0.083,601 0.042,602 0.032,603 0.025,604 0.018,605 0.01,606 0.01,607 0.007,608 0.377,609 0.33,610 0.75,611 0.504,612 197.169,613 -0.053,614 -0.347,615 0.067,616 -0.08,617 0.012,618 -0.03,619 0.168,620 0.062,621 -0.063,622 -0.064,623 0.085,624 -0.058,625 -0.072,626 -0.021,627 -0.013,628 -0.012,629 -0.046,630 0.004,631 -0.121,632 -0.098,633 -0.085,634 -0.098,635 -0.065,636 -0.124,637 -0.017,638 0.054,639 -0.048,640 0.006,641 -0.028,642 -0.046,643 -0.118,644 0.002,645 -0.03,646 -0.001,647 -0.119,648 -0.005,649 -0.007,650 0.012,651 -0.02,652 0.011,653 -0.056,655 -0.064,656 0.022,657 -0.032,658 -0.005,659 -0.073,660 -0.003,661 2.019,662 5.455,663 0.629,664 43.838,665 1.011,666 1.14,667 1.215,668 1.476,669 0.646,670 3.664,671 3.951,672 4.205,673 4.419,674 4.625,675 4.615,676 4.654,677 4.635,678 4.673,679 4.595,680 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{0 CHEMBL201723,1 1.554,2 6.158,3 2.636,4 6.948,5 70.775,6 8.63,7 0.682,8 3.527,9 3.621,10 3.227,11 3.175,12 4.726,13 3.177,14 4.032,15 4.146,16 3.669,17 3.615,18 5.267,19 3.604,20 4.232,21 4.361,22 3.728,23 3.705,24 5.478,25 3.688,26 4.293,27 4.458,28 3.671,29 3.665,30 5.61,31 3.636,32 4.208,33 4.386,34 3.505,35 3.512,36 5.45,37 3.466,38 4.071,39 4.247,40 3.134,41 3.24,42 5.421,43 3.176,44 3.841,45 4.11,46 2.277,47 2.668,48 5.03,49 2.507,50 2.886,51 3.225,52 1.1,53 1.487,54 3.954,55 1.308,56 0.048,57 0.404,58 4.114,59 2.311,60 5.519,61 2.488,62 0.149,63 0.662,64 7.796,65 4.17,66 15.949,67 4.911,68 0.139,69 0.79,70 10.396,71 5.264,72 25.535,73 5.825,74 0.285,75 0.87,76 12.66,77 5.447,78 51.08,79 6.236,80 0.206,81 0.779,82 12.197,83 5.478,84 29.038,85 6.623,86 0.28,87 0.669,88 10.9,89 4.404,90 37.533,91 4.549,92 0.278,93 0.502,94 12.464,95 4.267,96 48.354,97 5.083,98 0.136,99 0.186,100 6.007,101 1.745,102 24.016,103 2.28,104 10,105 34,106 0.289,107 0.647,108 0.76,109 0.848,110 0.873,111 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{0 CHEMBL201728,1 1.577,2 6.238,3 3.775,4 14.251,5 82.813,6 9.168,7 0.6,8 3.628,9 3.701,10 3.443,11 3.384,12 4.738,13 3.338,14 4.186,15 4.287,16 3.925,17 3.874,18 5.32,19 3.802,20 4.411,21 4.555,22 3.998,23 3.971,24 5.506,25 3.878,26 4.365,27 4.476,28 4.04,29 3.962,30 5.628,31 3.872,32 4.368,33 4.484,34 3.888,35 3.817,36 5.591,37 3.744,38 4.275,39 4.438,40 3.437,41 3.503,42 5.546,43 3.429,44 3.999,45 4.231,46 2.667,47 3.039,48 5.155,49 2.895,50 3.49,51 3.817,52 1.397,53 2.259,54 4.359,55 1.965,56 0.025,57 0.376,58 4.309,59 2.675,60 5.371,61 2.967,62 0.133,63 0.682,64 9.269,65 5.223,66 16.009,67 6.112,68 0.13,69 0.886,70 16.251,71 7.715,72 26.449,73 8.68,74 0.183,75 0.863,76 17.138,77 7.632,78 41.572,79 7.848,80 0.164,81 0.903,82 18.07,83 7.386,84 25.418,85 6.863,86 0.268,87 0.82,88 14.192,89 6.071,90 46.67,91 5.739,92 0.229,93 0.633,94 12.364,95 5.126,96 44.727,97 5.685,98 0.144,99 0.414,100 10.277,101 3.778,102 26.397,103 4.818,104 5,105 39,106 0.286,107 0.65,108 0.76,109 0.828,110 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