"molecule_id","IC3","MATS1s","X3Av","DBI","Eig02_EA.dm.","MW","SM02_EA.dm.","ATSC2m","ATSC8m","Eig12_EA.ri.","GATS5p","IC2","piPC04","SM11_EA.bo.","SM12_EA.bo.","SM13_EA.bo.","SM14_EA.bo.","SM15_EA.bo.","SpMax5_Bh.e.","SpMax5_Bh.i.","SpMin1_Bh.s.","TPSA.Tot.","X4Av","Eig03_AEA.dm.","S3K","SpMax1_Bh.p.","SpMin7_Bh.v.","Uindex","SM08_EA.bo.","Eig03_EA.dm.","GATS3e","P_VSA_i_3","SpMax7_Bh.m.","SpMin7_Bh.p.","ATS6m","Eta_L","SpMax4_Bh.e.","SpMax4_Bh.i.","SpMin4_Bh.p.","ZM2MulPer","ZM2Per","ZM2V","ATS1e","ATS1i","ATS2e","ATS2i","ATS3e","ATS3i","ATS5m","ATSC1p","C.026","CATS2D_05_LL","Chi0_AEA.bo.","Chi0_AEA.dm.","Chi0_AEA.ed.","Chi0_AEA.ri.","Chi0_EA","Chi0_EA.bo.","Chi0_EA.ed.","Chi0_EA.ri.","Chi1_EA.bo.","Chi1_EA.dm.","Chi1_EA.ed.","CSI","Eig12_AEA.dm.","Eig12_AEA.ri.","Eig12_EA","Eig12_EA.bo.","Eig12_EA.ed.","Eig15_EA.ed.","Eta_C","Eta_epsi","GATS1i","GMTI","IAC","IDDE","ISIZ","IVDM","MATS3e","nArX","nAT","nBT","O.058","ON1V","P_VSA_p_1","RDCHI","S0K","Se","Si","SM04_EA.dm.","SM06_AEA.dm.","SM06_EA.dm.","SM07_AEA.ri.","SM08_EA.dm.","SM10_AEA.ri.","SM10_EA.dm.","SM12_EA.dm.","SM14_EA.dm.","SMTI","SpDiam_AEA.bo.","SpMax4_Bh.v.","SpMax5_Bh.v.","SpMax8_Bh.p.","SpMax8_Bh.v.","SpMaxA_AEA.ed.","SpMaxA_AEA.ri.","SpMaxA_EA","SpMaxA_EA.dm.","SpMaxA_EA.ri.","SpMin3_Bh.e.","SpMin3_Bh.i.","SpMin3_Bh.p.","SpMin3_Bh.v.","SpMin4_Bh.i.","SpMin6_Bh.m.","Sv","TIC0","TIC2","TIC3","TIC4","TIC5","X1","X1Kup","X1MulPer","X1Per","X1sol","X1v","X3v","X4v","X5v","Eta_sh_y","GATS3s","GATS8p","MATS1i","MAXDN","O.060","PHI","PW3","PW4","RBN","SpMax4_Bh.p.","SpMin3_Bh.m.","SpMin3_Bh.s.","SpMin4_Bh.v.","SssCH2","TIC1","MATS1v","SM03_EA.bo.","SM05_EA.bo.","ATS8m","CATS2D_05_AL","SM07_EA.bo.","SM09_EA.bo.","AAC","AECC","ALOGP","ALOGP2","AMR","AMW","ARR","ATS1m","ATS1p","ATS1s","ATS1v","ATS2m","ATS2p","ATS2s","ATS2v","ATS3m","ATS3p","ATS3s","ATS3v","ATS4e","ATS4i","ATS4m","ATS4p","ATS4s","ATS4v","ATS5e","ATS5i","ATS5p","ATS5s","ATS5v","ATS6e","ATS6i","ATS6p","ATS6s","ATS6v","ATS7e","ATS7i","ATS7m","ATS7p","ATS7s","ATS7v","ATS8e","ATS8i","ATS8p","ATS8s","ATS8v","ATSC1e","ATSC1i","ATSC1m","ATSC1s","ATSC1v","ATSC2e","ATSC2i","ATSC2p","ATSC2s","ATSC2v","ATSC3e","ATSC3i","ATSC3m","ATSC3p","ATSC3s","ATSC3v","ATSC4e","ATSC4i","ATSC4m","ATSC4p","ATSC4s","ATSC4v","ATSC5e","ATSC5i","ATSC5m","ATSC5p","ATSC5s","ATSC5v","ATSC6e","ATSC6i","ATSC6m","ATSC6p","ATSC6s","ATSC6v","ATSC7e","ATSC7i","ATSC7m","ATSC7p","ATSC7s","ATSC7v","ATSC8e","ATSC8i","ATSC8p","ATSC8s","ATSC8v","BAC","BBI","BIC0","BIC1","BIC2","BIC3","BIC4","BIC5","BID","BLI","BLTA96","BLTD48","BLTF96","Br.094","C.","C.001","C.002","C.004","C.005","C.006","C.008","C.013","C.022","C.024","C.025","C.027","C.028","C.029","C.030","C.032","C.033","C.034","C.035","C.038","C.039","C.040","C.041","CATS2D_00_DD","CATS2D_00_DP","CATS2D_00_PP","CATS2D_01_AA","CATS2D_01_DD","CATS2D_01_LL","CATS2D_02_AA","CATS2D_02_AL","CATS2D_02_AP","CATS2D_02_DA","CATS2D_02_DD","CATS2D_02_DL","CATS2D_02_LL","CATS2D_03_AA","CATS2D_03_AL","CATS2D_03_AP","CATS2D_03_DA","CATS2D_03_DD","CATS2D_03_DL","CATS2D_03_LL","CATS2D_04_AA","CATS2D_04_AL","CATS2D_04_AP","CATS2D_04_DA","CATS2D_04_DD","CATS2D_04_DL","CATS2D_04_DP","CATS2D_04_LL","CATS2D_05_AA","CATS2D_05_DA","CATS2D_05_DL","CATS2D_06_AA","CATS2D_06_AL","CATS2D_06_DA","CATS2D_06_DL","CATS2D_06_LL","CATS2D_06_PL","CATS2D_07_AA","CATS2D_07_AL","CATS2D_07_DA","CATS2D_07_DL","CATS2D_07_LL","CATS2D_07_PL","CATS2D_08_AA","CATS2D_08_AL","CATS2D_08_DL","CATS2D_08_LL","CATS2D_08_PL","CATS2D_09_AA","CATS2D_09_AL","CATS2D_09_DA","CATS2D_09_DL","CATS2D_09_LL","CENT","Chi0_EA.dm.","Chi1_AEA.bo.","Chi1_AEA.dm.","Chi1_AEA.ed.","Chi1_AEA.ri.","Chi1_EA","Chi1_EA.ri.","CIC0","CIC1","CIC2","CIC3","CIC4","CIC5","CID","Cl.086","Cl.089","CMC.50","CMC.80","D.Dtr05","D.Dtr06","D.Dtr07","D.Dtr10","DECC","DELS","Depressant.50","Depressant.80","DLS_01","DLS_02","DLS_03","DLS_04","DLS_05","DLS_06","DLS_cons","Dz","ECC","Eig01_AEA.bo.","Eig01_AEA.dm.","Eig01_AEA.ed.","Eig01_AEA.ri.","Eig01_EA","Eig01_EA.bo.","Eig01_EA.dm.","Eig01_EA.ed.","Eig01_EA.ri.","Eig02_AEA.bo.","Eig02_AEA.dm.","Eig02_AEA.ed.","Eig02_AEA.ri.","Eig02_EA","Eig02_EA.bo.","Eig02_EA.ed.","Eig02_EA.ri.","Eig03_AEA.bo.","Eig03_AEA.ed.","Eig03_AEA.ri.","Eig03_EA","Eig03_EA.bo.","Eig03_EA.ed.","Eig03_EA.ri.","Eig04_AEA.bo.","Eig04_AEA.dm.","Eig04_AEA.ed.","Eig04_AEA.ri.","Eig04_EA","Eig04_EA.bo.","Eig04_EA.dm.","Eig04_EA.ed.","Eig04_EA.ri.","Eig05_AEA.bo.","Eig05_AEA.dm.","Eig05_AEA.ed.","Eig05_AEA.ri.","Eig05_EA","Eig05_EA.bo.","Eig05_EA.dm.","Eig05_EA.ed.","Eig05_EA.ri.","Eig06_AEA.bo.","Eig06_AEA.dm.","Eig06_AEA.ed.","Eig06_AEA.ri.","Eig06_EA","Eig06_EA.bo.","Eig06_EA.dm.","Eig06_EA.ed.","Eig06_EA.ri.","Eig07_AEA.bo.","Eig07_AEA.dm.","Eig07_AEA.ed.","Eig07_AEA.ri.","Eig07_EA","Eig07_EA.bo.","Eig07_EA.ed.","Eig07_EA.ri.","Eig08_AEA.bo.","Eig08_AEA.dm.","Eig08_AEA.ed.","Eig08_AEA.ri.","Eig08_EA","Eig08_EA.bo.","Eig08_EA.ed.","Eig08_EA.ri.","Eig09_AEA.bo.","Eig09_AEA.dm.","Eig09_AEA.ed.","Eig09_AEA.ri.","Eig09_EA","Eig09_EA.bo.","Eig09_EA.ed.","Eig09_EA.ri.","Eig10_AEA.bo.","Eig10_AEA.dm.","Eig10_AEA.ed.","Eig10_AEA.ri.","Eig10_EA","Eig10_EA.bo.","Eig10_EA.ed.","Eig10_EA.ri.","Eig11_AEA.bo.","Eig11_AEA.dm.","Eig11_AEA.ed.","Eig11_AEA.ri.","Eig11_EA","Eig11_EA.bo.","Eig11_EA.ed.","Eig11_EA.ri.","Eig12_AEA.bo.","Eig12_AEA.ed.","Eig13_AEA.bo.","Eig13_AEA.dm.","Eig13_AEA.ed.","Eig13_AEA.ri.","Eig13_EA","Eig13_EA.bo.","Eig13_EA.ed.","Eig13_EA.ri.","Eig14_AEA.bo.","Eig14_AEA.dm.","Eig14_AEA.ed.","Eig14_AEA.ri.","Eig14_EA","Eig14_EA.bo.","Eig14_EA.dm.","Eig14_EA.ed.","Eig14_EA.ri.","Eig15_AEA.bo.","Eig15_AEA.dm.","Eig15_AEA.ed.","Eig15_AEA.ri.","Eig15_EA","Eig15_EA.bo.","Eig15_EA.dm.","Eig15_EA.ri.","Eta_alpha","Eta_alpha_A","Eta_B","Eta_B_A","Eta_beta","Eta_beta_A","Eta_betaP","Eta_betaP_A","Eta_betaS","Eta_betaS_A","Eta_C_A","Eta_epsi_A","Eta_F","Eta_F_A","Eta_FL","Eta_FL_A","Eta_L_A","Eta_sh_p","Eta_sh_x","F.083","F.084","GATS1e","GATS1m","GATS1p","GATS1s","GATS1v","GATS2e","GATS2i","GATS2m","GATS2p","GATS2s","GATS2v","GATS3i","GATS3m","GATS3p","GATS3v","GATS4e","GATS4i","GATS4m","GATS4p","GATS4s","GATS4v","GATS5e","GATS5i","GATS5m","GATS5s","GATS5v","GATS6e","GATS6i","GATS6m","GATS6p","GATS6s","GATS6v","GATS7e","GATS7i","GATS7m","GATS7p","GATS7s","GATS7v","GATS8e","GATS8i","GATS8m","GATS8s","GATS8v","GGI1","GGI10","GGI2","GGI3","GGI4","GGI5","GGI6","GGI7","GGI8","GGI9","GMTIV","GNar","H.","H.046","H.047","H.048","H.049","H.050","H.051","H.052","HDcpx","HNar","HVcpx","Hy","Hypertens.50","Hypertens.80","Hypnotic.50","Hypnotic.80","IC0","IC1","IC4","IC5","ICR","IDDM","IDE","IDET","IDM","IDMT","Infective.50","Infective.80","Inflammat.50","Inflammat.80","IVDE","JGI1","JGI10","JGI2","JGI3","JGI4","JGI5","JGI6","JGI7","JGI8","JGI9","JGT","LLS_01","LLS_02","LOC","LPRS","MATS1e","MATS1m","MATS1p","MATS2e","MATS2i","MATS2m","MATS2p","MATS2s","MATS2v","MATS3i","MATS3m","MATS3p","MATS3s","MATS3v","MATS4e","MATS4i","MATS4m","MATS4p","MATS4s","MATS4v","MATS5e","MATS5i","MATS5m","MATS5p","MATS5s","MATS5v","MATS6e","MATS6i","MATS6m","MATS6p","MATS6s","MATS6v","MATS7e","MATS7i","MATS7m","MATS7p","MATS7s","MATS7v","MATS8e","MATS8i","MATS8m","MATS8p","MATS8s","MATS8v","MAXDP","MCD","MDDD","Me","Mi","MLOGP","MLOGP2","Mp","MPC01","MPC02","MPC03","MPC04","MPC05","MPC06","MPC07","MPC08","MPC09","MPC10","MSD","Mv","MWC01","MWC02","MWC03","MWC04","MWC05","MWC06","MWC07","MWC08","MWC09","MWC10","N.","N.068","N.069","N.070","N.071","N.072","N.073","N.074","N.075","N.076","NaaaC","NaaCH","NaaN","NaaO","NaaS","NaasC","NaasN","nAB","nArCN","nArCO","nArCONR2","nArCOOR","nArNH2","nArNHR","nArNO2","nArNR2","nArOCON","nArOR","nBM","nBnz","nBO","nBR","nC","nCar","nCb.","nCbH","nCconj","nCHR2X","nCIC","nCIR","nCL","nCONN","nCp","nCq","nCrs","nCRX3","nCs","nCsp","nCsp2","nCsp3","nDB","NddsN","NddssS","NdO","NdS","NdsCH","NdsN","NdssC","Neoplastic.50","Neoplastic.80","nF","nFuranes","nH","nHAcc","nHDon","nHet","nHM","nIsoxazoles","nN","nN.C.N.","nN.CO.2","nN.N","NNRS","nO","nPyridines","nPyrimidines","nPyrroles","nR05","nR06","nR07","nR10","nR.C.","nRCO","nRCONHR","nRCONR2","nRCOOR","nRNR2","NRS","nRSR","nS","NsBr","NsCH3","NsCl","pXC50"
{1 4.414,2 -0.019,3 0.1,4 3.082,5 1.2,6 405.29,7 2.092,8 14.418,9 30.574,10 -0.042,11 0.816,12 3.957,13 5.104,14 15.711,15 17.153,16 18.428,17 19.837,18 21.15,19 3.197,20 3.224,21 1.3,22 40.62,23 0.054,24 3.29,25 4.037,26 3.911,27 1.107,28 42.049,29 11.883,30 0.8,31 0.981,32 262.17,33 2.866,34 1.068,35 3.829,36 5.794,37 3.42,38 3.461,39 1.59,40 390.138,41 569.07,42 367,43 3.854,44 3.961,45 4.399,46 4.567,47 4.679,48 4.866,49 3.832,50 3.97,51 3,53 16.499,54 16.499,55 16.499,56 16.499,57 16.499,58 14.76,59 9.512,60 16.869,61 10.596,62 20.24,63 4.464,64 605,65 0.458,66 0.884,67 -0.048,68 -0.056,69 -0.115,70 -2,71 21.388,72 26.414,73 1.16,74 7309,75 73.56,76 4.244,77 233.329,78 4.555,79 -0.062,80 2,81 43,82 45,83 2,84 2.592,85 226.84,86 3.679,87 108.096,88 43.552,89 48.334,90 2.334,91 -0.048,92 2.685,93 -0.115,94 3.077,95 -2,96 3.493,97 3.925,98 4.37,99 7171,100 5.36,101 3.245,102 3.043,103 2.733,104 2.715,105 0.24,106 0.149,107 0.113,108 0.047,109 0.109,110 1.69,111 1.63,112 1.864,113 1.875,114 1.318,115 1.22,116 28.622,117 73.56,118 170.168,119 189.82,120 200.574,121 200.574,122 11.952,123 7.996,124 7.751,125 6.362,126 12.119,127 8.851,128 4.882,129 3.172,130 2.286,131 0.342,132 0.898,133 1.317,134 -0.161,135 2.069,137 5.431,138 0.345,139 0.169,140 3,141 3.232,142 1.877,143 1.047,144 1.6,145 2.169,146 141.973,147 -0.018,148 4.649,149 7.531,150 3.729,151 2,152 10.278,153 12.997,154 1.711,155 11.44,156 3.567,157 12.725,158 99.223,159 9.425,160 0.444,161 3.622,162 3.452,163 4.996,164 3.423,165 4.045,166 3.841,167 5.534,168 3.796,169 4.143,170 4.002,171 5.865,172 3.931,173 4.724,174 4.915,175 3.96,176 3.942,177 5.933,178 3.861,179 4.73,180 4.96,181 3.842,182 5.988,183 3.746,184 4.594,185 4.852,186 3.707,187 5.642,188 3.577,189 4.358,190 4.62,191 3.681,192 3.559,193 5.287,194 3.434,195 4.204,196 4.38,197 3.493,198 5.59,199 3.38,200 0.046,201 0.655,202 5.665,203 8.152,204 4.754,205 0.233,206 1.088,207 6.622,208 18.37,209 8.063,210 0.442,211 1.392,212 28.786,213 9.475,214 47.829,215 11.003,216 0.435,217 1.398,218 29.459,219 10.163,220 74.772,221 11.55,222 0.706,223 1.456,224 26.919,225 10.113,226 122.552,227 11.91,228 0.585,229 1.285,230 29.05,231 9.062,232 70.653,233 11.314,234 0.251,235 0.884,236 21.396,237 7.178,238 31.494,239 9.428,240 0.409,241 0.743,242 6.933,243 75.207,244 7.344,245 27,246 38,247 0.299,248 0.576,249 0.691,250 0.771,251 0.814,252 0.814,253 3.266,254 0.983,255 -4.7,256 -4.61,257 -4.34,258 1,259 44.2,260 1,264 4,268 7,269 2,279 1,280 1,287 7,288 1,289 5,294 9,295 1,296 8,301 7,303 6,309 2,310 1,313 1,314 7,320 4,323 1,326 2,328 4,330 1,331 3,334 7,335 835,336 17.754,337 13.25,338 13.25,339 13.25,340 13.25,341 13.25,342 13.922,343 3.716,344 2.125,345 1.469,346 1.012,347 0.762,348 0.762,349 3.944,353 1,355 268.189,358 1.862,359 33.468,362 1,363 1,364 1,365 0.8,366 0.5,367 1,368 0.9,369 54.25,370 286,371 4.36,372 3.697,373 6.48,374 4.02,375 3.062,376 3.985,377 1.277,378 10.045,379 2.945,380 4.255,381 3.558,382 6.382,383 3.93,384 2.947,385 3.787,386 9.641,387 2.896,388 3.925,389 5.903,390 3.635,391 2.638,392 3.255,393 8.137,394 2.608,395 3.753,396 2.877,397 5.325,398 3.333,399 2.418,400 3.106,401 0.293,402 6.68,403 2.197,404 3.319,405 2.643,406 5.031,407 3.01,408 2.087,409 2.444,411 5.814,412 1.862,413 3.05,414 2.221,415 4.887,416 2.721,417 1.806,418 2.157,420 5.329,421 1.593,422 2.803,423 1.933,424 4.001,425 2.322,426 1.331,427 1.879,428 3.274,429 1.304,430 2.6,431 1.904,432 3.777,433 2.158,434 1.14,435 1.559,436 2.839,437 1.14,438 2.5,439 1.357,440 3.634,441 2,442 1,443 1.5,444 2.275,445 1,446 2.263,447 1.146,448 3.414,449 1.967,450 1,451 1.089,452 2.275,453 0.965,454 2,455 1,456 3.414,457 1.836,458 0.828,459 1,460 2.11,461 0.801,462 1.207,463 2.702,464 1.114,465 0.412,466 2.338,467 0.585,468 -0.265,469 -0.336,470 -0.572,471 -0.158,472 0.751,473 0.31,474 2.306,475 0.369,476 -0.584,477 -0.694,479 -1.405,480 -0.537,481 0.55,482 -0.118,483 2,484 0.231,485 -0.768,486 -0.95,488 -0.755,489 12.586,490 0.503,491 0.72,492 0.029,493 31.25,494 1.25,495 15.5,496 0.62,497 15.75,498 0.63,499 0.856,500 0.614,501 22.233,502 0.889,503 6.158,504 0.246,505 0.232,506 0.221,509 1,510 0.559,511 0.488,512 0.892,513 0.497,514 0.899,515 0.711,516 0.987,517 0.563,518 0.77,519 0.53,520 0.82,521 0.937,522 0.894,523 0.953,524 0.984,525 1.239,526 1.199,527 0.767,528 1.083,529 1.299,530 1.152,531 1.262,532 1.163,533 0.403,534 1.347,535 0.99,536 0.939,537 1.059,538 0.53,539 0.911,540 0.991,541 1.018,542 0.576,543 0.744,544 0.554,545 0.724,546 0.459,547 0.794,548 1.133,549 0.926,550 1.947,551 1.141,552 1.158,553 5.5,554 0.124,555 3.778,556 1.938,557 1.418,558 0.764,559 0.605,560 0.392,561 0.214,562 0.154,563 24845,564 2.015,565 41.9,567 15,571 3,573 1.675,574 1.852,575 3.464,576 -0.751,578 1,581 1.711,582 3.302,583 4.665,584 4.665,585 2.919,586 4.612,587 3.627,588 1088.04,589 7.951,590 13358.1,592 1,594 1,595 1.516,596 0.204,597 0.008,598 0.099,599 0.048,600 0.042,601 0.026,602 0.026,603 0.018,604 0.01,605 0.009,606 0.491,607 0.5,608 1,609 0.836,610 121.978,611 -0.014,612 0.005,613 -0.053,614 -0.016,615 0.005,616 0.031,617 0.07,618 0.038,619 0.073,620 0.061,621 -0.064,622 -0.039,623 -0.026,624 -0.059,625 -0.165,626 -0.222,627 -0.095,628 -0.193,629 -0.144,630 -0.221,631 -0.026,632 -0.024,633 0.011,634 0.023,635 -0.053,636 -0.048,637 0.078,638 0.085,639 0.075,640 -0.019,641 -0.051,642 -0.027,643 0.041,644 0.043,645 0.122,646 0.162,647 0.074,648 0.22,649 -0.006,650 -0.057,651 -0.212,652 -0.142,653 0.072,654 -0.151,655 6.275,656 0.72,657 23.648,658 1.013,659 1.124,660 3.468,661 12.026,662 0.699,663 3.332,664 3.664,665 3.912,666 4.094,667 4.317,668 4.357,669 4.477,670 4.443,671 4.466,672 4.635,673 6.583,674 0.666,675 3.332,676 4.875,677 5.72,678 6.589,679 7.449,680 8.32,681 9.186,682 10.058,683 10.926,684 11.799,685 4.7,689 1,690 1,696 7,700 5,702 12,704 1,705 1,710 1,713 14,714 2,715 27,716 1,717 19,718 12,719 5,720 7,721 2,723 3,724 3,727 1,733 14,734 5,735 2,738 2,742 2,744 1,745 1,747 18,748 5,750 6,751 1,753 2,757 1,758 2,763 3,772 3,775 1,776 1,778 5.16}
{0 CHEMBL1322254,1 4.877,2 0.101,3 0.087,4 3,5 1.032,6 449.6,7 2.579,8 23.277,9 42.488,10 1,11 0.738,12 4.27,13 5.806,14 16.878,15 18.412,16 19.882,17 21.404,18 22.901,19 3.712,20 3.751,21 1.283,22 60.7,23 0.044,24 2.986,25 4.729,26 4.04,27 1.512,28 49.27,29 12.6,30 0.8,31 1.032,32 327.327,33 3.127,34 1.505,35 4.457,36 7.162,37 3.833,38 3.87,39 1.838,40 499.149,41 728.85,42 469,43 4.205,44 4.324,45 4.736,46 4.917,47 4.966,48 5.174,49 4.372,50 5.328,52 15,53 23.767,54 23.767,55 23.767,56 23.767,57 23.767,58 20.897,59 14.371,60 24.151,61 14.429,62 31.093,63 6.796,64 777,65 1.223,66 2,67 1,68 1.5,69 2.275,70 1.96,71 28.088,72 34.667,73 1.368,74 14942,75 87.177,76 4.499,77 361.775,78 5.043,79 -0.01,81 61,82 65,84 3.658,85 317.82,86 4.343,87 160.974,88 60.556,89 68.268,90 3.634,91 1,92 4.977,93 2.275,94 6.381,95 1.96,96 7.798,97 9.218,98 10.638,99 14034,100 5.798,101 3.649,102 3.599,103 2.941,104 2.91,105 0.191,106 0.116,107 0.09,108 0.054,109 0.088,110 1.781,111 1.708,112 1.95,113 1.965,114 1.605,115 1.569,116 39.617,117 87.177,118 260.491,119 297.51,120 311.02,121 317.02,122 16.742,123 11.364,124 11.082,125 9.199,126 16.742,127 11.509,128 6.233,129 4.414,130 3.151,131 0.288,132 0.694,133 1.132,134 -0.259,135 1.095,136 1,137 6.622,138 0.338,139 0.198,140 6,141 3.635,142 1.984,143 1.07,144 1.823,145 4.3,146 204.592,147 -0.025,148 4.796,149 7.935,150 4.263,151 15,152 10.922,153 13.892,154 1.429,155 10.412,156 5.462,157 29.828,158 134.646,159 7.37,160 0.579,161 3.783,162 3.777,163 5.299,164 3.753,165 4.11,166 4.169,167 5.707,168 4.124,169 4.156,170 4.319,171 5.885,172 4.233,173 5.062,174 5.301,175 4.226,176 4.36,177 6.008,178 4.273,179 5.057,180 5.276,181 4.417,182 6.097,183 4.366,184 5.091,185 5.264,186 4.523,187 6.256,188 4.475,189 5.236,190 5.435,191 4.411,192 4.576,193 6.34,194 4.491,195 5.263,196 5.493,197 4.511,198 6.264,199 4.397,200 0.031,201 0.892,202 12.223,203 12.752,204 7.106,205 0.256,206 1.488,207 8.514,208 19.516,209 11.602,210 0.309,211 1.789,212 30.466,213 11.716,214 27.178,215 16.252,216 0.307,217 1.974,218 34.667,219 12.927,220 38.017,221 18.463,222 0.335,223 1.996,224 33.825,225 12.208,226 39.535,227 17.257,228 0.266,229 2.131,230 32.639,231 12.222,232 52.812,233 16.693,234 0.443,235 2.332,236 39.664,237 15.027,238 70.334,239 20.601,240 0.338,241 2.313,242 16.015,243 68.894,244 22.256,245 6,246 52,247 0.227,248 0.532,249 0.677,250 0.774,251 0.809,252 0.824,253 3.562,254 0.909,255 -5.25,256 -5.14,257 -4.81,259 45.9,263 1,264 5,268 12,269 4,275 1,276 2,277 1,280 2,287 15,288 2,289 7,294 16,295 2,296 6,301 14,302 3,303 9,309 11,310 2,313 1,314 15,317 17,319 3,320 16,323 15,326 11,328 11,330 1,331 5,334 5,335 2162,336 21.879,337 18.763,338 18.763,339 18.763,340 18.763,341 18.763,342 19.393,343 4.502,344 2.577,345 1.66,346 1.054,347 0.832,348 0.734,349 4.271,354 193.822,355 345.446,358 1.388,359 19.143,362 1,363 1,364 1,365 0.8,366 0.5,367 1,368 0.9,369 71.5,370 354,371 4.798,372 4.097,373 7.24,374 4.4,375 3.431,376 4.59,377 2.035,378 12.902,379 3.33,380 3.996,381 3.425,382 6.09,383 3.622,384 2.651,385 3.538,386 8.714,387 2.594,388 3.97,389 6.068,390 3.573,391 2.62,392 3.496,393 8.585,394 2.537,395 3.871,396 2.798,397 5.419,398 3.517,399 2.548,400 3.414,401 0.522,402 7.161,403 2.435,404 3.664,405 2.636,406 5.397,407 3.425,408 2.442,409 2.758,410 0.521,411 7.041,412 2.37,413 3.515,414 2.542,415 5.08,416 3.003,417 2.096,418 2.662,420 5.697,421 1.903,422 3.287,423 2.447,424 4.891,425 2.879,426 1.912,427 2.504,428 5.64,429 1.842,430 3.126,431 1.964,432 4.73,433 2.759,434 1.778,435 2.182,436 4.734,437 1.739,438 3.014,439 1.874,440 3.781,441 2.393,442 1.398,443 1.988,444 3.059,445 1.39,446 2.759,447 1.517,448 3.714,449 2.227,450 1.256,451 1.698,452 2.893,453 1.217,454 2.591,455 1.416,456 3.481,457 2.086,458 1.101,459 1.583,460 2.548,461 1.083,462 2.529,463 3.414,464 2.5,465 1.146,466 3.369,467 2,468 1,469 1.5,470 2.136,471 1,472 2.5,473 1,474 3.247,475 1.967,476 1,477 1.192,479 2.136,480 0.965,481 2.26,482 1,483 3.247,484 1.752,485 0.799,486 1,488 0.76,489 16.333,490 0.48,491 0.602,492 0.018,493 47.5,494 1.397,495 25,496 0.735,497 22.5,498 0.662,499 0.826,500 0.568,501 39.141,502 1.151,503 9.58,504 0.282,505 0.211,506 0.055,510 0.875,511 0.776,512 1.09,513 0.515,514 0.951,515 1.303,516 0.916,517 0.962,518 0.84,519 0.603,520 0.851,521 1.075,522 1.009,523 1.006,524 1.009,525 0.755,526 0.979,527 0.823,528 0.892,529 0.716,530 0.864,531 0.978,532 0.919,533 0.732,534 0.834,535 0.704,536 1.245,537 1.132,538 1.019,539 1.012,540 1.582,541 0.984,542 1.211,543 1.071,544 1.126,545 1.09,546 1.499,547 1.097,548 1.224,549 1.124,550 1.124,551 1.696,552 1.123,553 4.5,554 0.152,555 2.889,556 2.583,557 2.274,558 1.407,559 0.714,560 0.638,561 0.413,562 0.153,563 34633,564 2.163,565 44.3,567 25,568 1,569 1,573 1.773,574 2.082,575 3.244,576 -0.817,581 1.429,582 3.354,583 5.099,584 5.197,585 2.667,586 5.054,587 3.45,588 1935.69,589 8.942,590 28516,595 1.166,596 0.118,597 0.005,598 0.056,599 0.049,600 0.04,601 0.021,602 0.01,603 0.01,604 0.007,605 0.004,606 0.319,607 0.17,608 0.88,609 0.54,610 177.156,611 0.031,612 0.08,613 -0.105,614 -0.101,615 0.199,616 -0.023,617 0.101,618 -0.036,619 0.06,620 -0.05,621 -0.056,622 -0.029,623 -0.02,624 -0.049,625 0.112,626 0.038,627 0.153,628 0.078,629 0.138,630 0.112,631 0.078,632 0.138,633 0.239,634 0.219,635 0.162,636 0.245,637 -0.122,638 -0.02,639 -0.096,640 -0.067,641 -0.036,642 -0.072,643 -0.028,644 -0.033,645 -0.169,646 -0.123,647 -0.046,648 -0.154,649 -0.117,650 -0.142,651 -0.141,652 -0.152,653 -0.19,654 -0.149,655 4.362,656 0.824,657 33.824,658 0.993,659 1.119,660 4.021,661 16.17,662 0.686,663 3.664,664 3.97,665 4.29,666 4.625,667 4.898,668 5.043,669 5.236,670 5.407,671 5.517,672 5.541,673 6.338,674 0.649,675 3.664,676 5.198,677 6.061,678 6.95,679 7.843,680 8.749,681 9.658,682 10.575,683 11.494,684 12.418,685 8.2,686 2,691 1,692 2,696 13,698 1,700 7,701 1,702 22,703 1,713 24,714 2,715 38,717 28,718 20,719 2,720 10,721 1,723 5,724 5,732 1,733 21,734 6,735 1,740 1,741 1,746 1,747 27,748 5,750 6,753 5,754 1,757 1,758 1,761 1,762 2,763 3,771 2,772 5,776 1,778 5.336}
{0 CHEMBL1370681,1 4.557,2 -0.099,3 0.105,4 4.472,5 2.95,6 374.37,7 3.877,8 14.672,9 18.27,10 -0.466,11 1.16,12 4.254,13 5.139,14 17.223,15 18.763,16 20.276,17 21.814,18 23.343,19 3.22,20 3.273,21 1.259,22 94.6,23 0.058,24 3.672,25 4.85,26 4.057,27 1.107,28 51.188,29 12.774,30 2.443,31 0.717,32 233.482,33 2.694,34 1.062,35 4.175,36 5.031,37 3.511,38 3.5,39 1.6,40 489.558,41 728.32,42 454,43 3.767,44 3.833,45 4.33,46 4.44,47 4.483,48 4.63,49 4.248,50 4.206,52 1,53 15.797,54 15.797,55 15.797,56 15.797,57 15.797,58 14.034,59 9.105,60 16.607,61 9.868,62 9.615,63 4.273,64 466,65 0.583,66 0.481,67 -0.486,68 -0.66,69 -1.261,70 -2.413,71 18.416,72 28.876,73 1.041,74 5746,75 77.957,76 4.134,77 199.421,78 4.512,79 0.032,81 38,82 39,83 3,84 2.015,85 197.905,86 3.436,87 105.342,88 40.313,89 43.68,90 6.047,91 -0.486,92 8.459,93 -1.261,94 10.981,95 -2.413,96 13.565,97 16.189,98 18.836,99 5994,100 5.752,101 3.277,102 2.978,103 2.533,104 2.566,105 0.281,106 0.165,107 0.132,108 0.147,109 0.114,110 1.597,111 1.567,112 1.796,113 1.772,114 1.327,115 1.113,116 25.927,117 77.957,118 161.647,119 173.157,120 175.911,121 175.911,122 11.631,123 6.902,124 6.651,125 5.465,126 11.241,127 8.598,128 4.627,129 2.97,130 2.203,131 0.221,132 0.762,133 0.848,134 -0.095,135 6.098,136 1,137 5.565,138 0.321,139 0.14,140 6,141 3.263,142 1.721,143 0.792,144 1.597,145 -1.27,146 139.995,147 -0.017,148 5.094,149 8.173,150 3.476,151 7,152 11.175,153 14.188,154 2.052,155 9.24,156 3.371,157 11.366,158 82.342,159 9.852,160 0.462,161 3.688,162 3.316,163 5.038,164 3.318,165 4.061,166 3.62,167 6.223,168 3.647,169 4.035,170 3.712,171 6.082,172 3.711,173 4.484,174 4.626,175 4.033,176 3.672,177 5.948,178 3.69,179 4.468,180 4.599,181 3.664,182 6.209,183 3.708,184 4.523,185 4.643,186 3.63,187 6.596,188 3.69,189 4.521,190 4.685,191 3.81,192 3.465,193 6.167,194 3.539,195 4.33,196 4.532,197 3.186,198 5.908,199 3.266,200 0.293,201 0.767,202 5.602,203 63.513,204 3.456,205 1.173,206 1.486,207 6.349,208 204.082,209 5.792,210 1.013,211 1.248,212 17.556,213 7.149,214 146.638,215 6.936,216 1.087,217 1.271,218 17.064,219 7.145,220 193.324,221 5.615,222 1.043,223 1.436,224 19.602,225 7.466,226 186.457,227 6.548,228 1.465,229 1.435,230 21.187,231 8.033,232 280.18,233 6.873,234 1.488,235 1.423,236 20.749,237 7.501,238 262.236,239 5.214,240 1.26,241 1.089,242 5.766,243 206.125,244 4.44,245 58,246 38,247 0.367,248 0.66,249 0.762,250 0.816,251 0.829,252 0.829,253 3.267,254 0.992,255 -3.78,256 -3.75,257 -3.56,259 39.5,261 1,263 1,264 1,266 1,268 6,269 1,271 2,274 1,280 1,287 6,288 3,289 5,294 7,295 4,296 4,301 5,303 5,309 2,310 4,313 4,314 6,317 2,320 5,323 2,326 6,328 2,331 4,334 1,335 931,336 11.074,337 12.752,338 12.752,339 12.752,340 12.752,341 12.752,342 14.031,343 3.196,344 1.564,345 0.994,346 0.691,347 0.619,348 0.619,349 3.92,352 1,353 1,355 174.925,358 1.37,359 62.82,361 1,362 1,363 1,364 1,365 0.6,366 0.5,367 1,368 0.87,369 59.5,370 231,371 4.864,372 5.248,373 7.316,374 4.292,375 3.435,376 4.716,377 3.825,378 12.514,379 2.973,380 4.445,381 4.46,382 7.102,383 4.101,384 3.262,385 3.948,386 11.65,387 2.742,388 4.13,389 6.142,390 3.767,391 2.799,392 3.535,393 9.071,394 2.649,395 3.627,396 2.943,397 5.082,398 3.292,399 2.314,400 2.857,401 0.286,402 6.01,403 2.233,404 3.471,405 2.667,406 4.924,407 2.947,408 2.009,409 2.786,411 5.687,412 1.871,413 3.049,414 2.025,415 4.499,416 2.542,417 1.6,418 2.262,420 4.106,421 1.485,422 2.724,423 1.679,424 4.316,425 2.219,426 1.319,427 1.791,428 3.991,429 1.167,430 2.53,431 1.461,432 3.495,433 2.006,434 1.042,435 1.544,436 2.587,437 1,438 2.5,439 1.116,440 3.333,441 2,442 1,443 1.5,444 2.136,445 0.998,446 1.832,447 1,448 3.247,449 1.638,450 0.711,451 0.758,452 1.442,453 0.649,454 1.452,455 0.991,456 2.845,457 1.073,458 0.129,459 0.153,460 0.184,461 0.118,462 1,463 2.766,464 0.926,465 0.51,466 2.506,467 0.27,468 -0.647,469 -0.876,470 -2.066,471 -0.585,472 0.785,473 0.51,474 2.427,475 0.048,476 -0.907,477 -1,479 -2.347,480 -0.7,481 0.56,482 -0.083,483 2,485 -1,486 -1,488 -0.7,489 11.324,490 0.453,491 0.955,492 0.038,493 32.5,494 1.3,495 16.5,496 0.66,497 16,498 0.64,499 0.737,500 0.76,501 29.145,502 1.166,503 6.6,504 0.264,505 0.201,506 0.208,507 0.118,508 3,510 0.576,511 0.73,512 1.29,513 0.646,514 0.982,515 0.536,516 0.794,517 0.847,518 1.084,519 0.481,520 0.936,521 0.72,522 0.947,523 0.929,524 0.95,525 1.165,526 0.978,527 1.046,528 0.965,529 1.213,530 0.967,531 0.646,532 1.006,533 0.754,534 0.782,535 0.863,536 0.792,537 1.26,538 1.117,539 1.277,540 0.773,541 1.023,542 1.796,543 1.415,544 1.388,545 1.036,546 1.812,547 1.098,548 1.762,549 1.264,550 1.276,551 1.686,552 0.989,553 8,554 0.037,555 3.778,556 1.625,557 1.6,558 1.931,559 0.632,560 0.385,561 0.385,562 0.141,563 26895,564 1.888,565 34.2,567 11,571 2,573 1.688,574 1.705,575 3.119,576 -0.593,577 1,578 1,581 2.052,582 3.684,583 4.629,584 4.629,585 2.649,586 4.611,587 3.301,588 990.408,589 8.022,590 11856.1,591 1,592 1,593 1,594 1,595 1.791,596 0.308,597 0.004,598 0.099,599 0.043,600 0.046,601 0.047,602 0.015,603 0.013,604 0.018,605 0.009,606 0.602,607 0.33,608 1,609 1.735,610 118.756,612 0.151,613 -0.09,614 0.335,615 0.214,616 0.091,617 -0.015,618 0.349,619 0.001,620 0.065,621 -0.017,622 0.044,623 0.005,624 0.008,625 -0.287,626 -0.095,627 -0.093,628 0.024,629 -0.29,630 -0.031,631 0.213,632 -0.084,633 0.324,634 -0.074,635 0.1,636 0.094,637 0.288,638 -0.147,639 -0.017,640 -0.169,641 0.389,642 -0.091,643 -0.509,644 -0.162,645 -0.418,646 -0.092,647 -0.447,648 -0.187,649 -0.484,650 -0.023,651 -0.343,652 -0.003,653 -0.416,654 -0.057,655 5.215,656 0.48,657 21.21,658 1.061,659 1.149,660 2.553,661 6.519,662 0.674,663 3.296,664 3.664,665 3.807,666 3.951,667 4.277,668 4.357,669 4.407,670 4.394,671 4.331,672 4.205,673 5.559,674 0.682,675 3.296,676 4.86,677 5.68,678 6.569,679 7.426,680 8.318,681 9.191,682 10.086,683 10.967,684 11.865,685 5.3,693 2,696 6,697 2,700 4,702 12,713 15,714 1,715 26,717 15,718 10,719 1,720 5,723 2,724 2,727 1,730 1,731 1,733 11,734 4,735 3,737 1,738 3,742 1,743 1,744 1,745 3,747 13,748 9,750 10,751 1,753 2,757 1,758 4,760 1,763 2,770 1,772 2,774 1,776 1,778 6.025}
{0 CHEMBL1417204,1 4.236,2 -0.015,3 0.078,4 3.082,5 1.661,6 251.25,7 2.875,8 5.379,9 6.533,10 -0.803,11 0.914,12 3.36,13 5.051,14 15.68,15 17.158,16 18.42,17 19.852,18 21.159,19 2.92,20 2.957,21 1.089,22 62.89,23 0.043,24 2.885,25 3.353,26 3.916,27 0.866,28 33.822,29 11.873,31 0.655,32 181.832,33 2.516,34 0.847,35 2.935,36 3.009,37 3.339,38 3.349,39 1.442,40 315.153,41 445.93,42 294,43 3.435,44 3.511,45 3.836,46 3.924,47 4.04,48 4.197,49 3.127,50 2.183,51 1,52 8,53 12.69,54 12.69,55 12.69,56 12.69,57 12.69,58 10.636,59 7.72,60 12.716,61 6.774,62 9.352,63 3.659,64 345,65 -0.474,66 0.205,67 -0.794,68 -1.184,69 -2,70 -3.079,71 8.887,72 18.7,73 0.755,74 3320,75 42.718,76 3.616,77 134.606,78 4.178,79 0.014,81 28,82 29,83 1,84 1.575,85 105.94,86 3.195,87 74.711,88 28.618,89 30.787,90 4.369,91 -0.794,92 6.052,93 -2,94 7.841,95 -3.079,96 9.69,97 11.572,98 13.471,99 3359,100 4.972,101 3.099,102 2.813,103 2.313,104 2.356,105 0.301,106 0.192,107 0.142,108 0.131,109 0.143,110 1.387,111 1.379,112 1.678,113 1.582,114 1.133,115 1.123,116 20.273,117 42.718,118 94.077,119 118.606,120 124.606,121 124.606,122 9.165,123 5.467,124 5.355,125 4.485,126 9.165,127 5.525,128 2.413,129 1.488,130 0.928,131 0.27,132 0.576,133 1.114,134 0.218,135 2.496,137 3.827,138 0.321,139 0.157,140 2,141 3.014,142 1.437,143 0.321,144 1.412,146 73.547,147 0.025,148 4.35,149 7.342,150 2.946,151 8,152 10.164,153 12.932,154 1.526,155 8.789,156 3.719,157 13.831,158 72.522,159 8.973,160 0.6,161 3.151,162 3.094,163 4.815,164 3.088,165 3.432,166 3.405,167 5.383,168 3.389,169 3.426,170 3.439,171 5.428,172 3.406,173 3.979,174 4.142,175 3.251,176 3.211,177 5.446,178 3.201,179 3.655,180 3.77,181 2.975,182 5.315,183 3.01,184 3.472,185 3.564,186 2.876,187 5.046,188 2.886,189 3.44,190 3.545,191 2.94,192 2.912,193 4.83,194 2.894,195 3.621,196 3.774,197 2.913,198 5.312,199 2.871,200 0.118,201 0.327,202 3.277,203 8.401,204 2.375,205 0.167,206 0.476,207 3.523,208 40.845,209 3.764,210 0.161,211 0.621,212 9.153,213 4.629,214 26.123,215 5.356,216 0.29,217 0.569,218 10.316,219 4.354,220 64.273,221 4.435,222 0.199,223 0.395,224 6.438,225 2.915,226 40.575,227 2.602,228 0.173,229 0.318,230 4.786,231 2.387,232 40.945,233 1.946,234 0.118,235 0.324,236 4.002,237 2.336,238 18.519,239 2.436,240 0.288,241 0.394,242 3.034,243 68.767,244 3.52,245 11,246 26,247 0.287,248 0.494,249 0.631,250 0.796,251 0.836,252 0.836,253 3.009,254 0.829,255 -4.83,256 -4.74,257 -4.45,259 53.6,267 2,268 9,269 2,279 1,285 2,287 12,288 1,289 4,294 14,296 9,301 11,303 9,309 7,314 3,317 8,319 1,320 2,323 8,325 2,326 4,328 6,331 6,334 3,335 414,336 9.586,337 9.862,338 9.862,339 9.862,340 9.862,341 9.862,342 9.876,343 3.282,344 2.181,345 1.447,346 0.571,347 0.357,348 0.357,349 3.667,353 1,355 135.209,358 1.296,359 24.14,362 1,363 1,364 1,365 0.4,367 1,368 0.77,369 41.5,370 167,371 4.345,372 3.782,373 6.023,374 3.836,375 2.835,376 4.01,377 2.612,378 8.569,379 2.859,380 4.211,381 3.707,382 5.972,383 3.766,384 2.765,385 3.745,386 8.438,387 2.741,388 3.884,389 5.238,390 3.27,391 2.283,392 3.316,393 6.525,394 2.251,395 3.445,396 2.197,397 4.289,398 2.825,399 1.805,400 2.698,402 4.194,403 1.836,404 3.088,405 1.955,406 3.778,407 2.388,408 1.389,409 2.178,411 3.079,412 1.388,413 2.787,414 1.324,415 3.485,416 2.139,417 1.128,418 1.718,420 2.622,421 1.139,422 2.584,423 1.253,424 3.435,425 2,426 1,427 1.583,428 2.323,429 1,430 2.5,431 1.11,432 3.247,433 2,434 1,435 1.5,436 2.136,437 1,438 2.435,439 1,440 2.939,441 1.464,442 0.426,443 0.801,444 0.974,445 0.44,446 1,447 1,448 2.236,449 0.448,450 -0.561,451 -0.75,452 -1.342,453 -0.564,454 0.882,455 0.241,456 2,457 0.28,458 -0.748,459 -1.072,460 -1.613,461 -0.753,462 0.751,463 1.679,464 0.666,465 -0.563,466 1.555,468 -1,469 -1.5,470 -2.18,471 -1,472 0.5,473 -0.897,474 1.442,476 -1,477 -1.706,479 -2.347,480 -1,481 0.256,482 -1,483 1.328,484 -0.17,485 -1.205,486 -2,488 -1.246,489 8.9,490 0.468,491 0.421,492 0.022,493 29.5,494 1.553,495 18.5,496 0.974,497 11,498 0.579,499 0.468,500 0.668,501 19.886,502 1.047,503 6.156,504 0.324,505 0.158,506 0.112,510 0.28,511 0.589,512 0.756,513 0.498,514 0.766,515 0.456,516 1.053,517 0.782,518 1.057,519 0.452,520 1.026,521 1.081,522 0.868,523 1.103,524 1.054,525 1.332,526 0.97,527 1.093,528 0.955,529 1.368,530 0.958,531 1.535,532 0.929,533 0.993,534 1.506,535 0.83,536 1.571,537 0.924,538 1.203,539 0.921,540 1.589,541 0.958,542 0.726,543 1.116,544 0.978,545 1.16,546 0.864,547 1.153,548 0.496,549 1.118,550 0.962,551 0.492,552 1.158,553 3.5,554 0.037,555 2,556 0.938,557 0.693,558 0.535,559 0.184,560 0.16,561 0.131,562 0.081,563 12143,564 1.995,565 32.1,567 9,573 1.598,574 1.869,575 3.165,576 -0.776,578 1,580 1,581 1.526,582 2.627,583 4.45,584 4.45,585 2.524,586 4.224,587 3.281,588 560.97,589 7.169,590 5706.77,591 1,592 1,594 1,595 1.384,596 0.175,597 0.006,598 0.077,599 0.038,600 0.035,601 0.03,602 0.012,603 0.011,604 0.009,605 0.008,606 0.4,607 0.5,608 1,609 0.868,610 83.817,611 0.261,612 0.041,613 0.111,614 0.177,615 -0.146,616 -0.068,617 -0.153,618 0.184,619 -0.174,620 -0.127,621 0.055,622 -0.142,623 0.072,624 -0.056,625 -0.204,626 -0.007,627 -0.024,628 0.041,629 -0.22,630 0.055,631 -0.262,632 0.024,633 -0.031,634 0.039,635 -0.193,636 0.065,637 -0.349,638 -0.003,639 -0.333,640 0.015,641 -0.309,642 -0.114,643 0.059,644 -0.177,645 -0.179,646 -0.246,647 -0.091,648 -0.28,649 0.44,650 -0.172,651 0.051,652 -0.13,653 0.448,654 -0.146,655 4.729,656 0.632,657 12.831,658 1.022,659 1.1,660 3.603,661 12.98,662 0.729,663 3.045,664 3.296,665 3.466,666 3.584,667 3.738,668 3.555,669 3.584,670 3.466,671 3.497,672 3.497,673 5.376,674 0.724,675 3.045,676 4.533,677 5.333,678 6.159,679 6.976,680 7.803,681 8.626,682 9.453,683 10.277,684 11.104,685 3.6,694 1,696 9,700 3,702 12,704 1,709 1,713 16,714 2,715 20,717 15,718 12,719 3,720 9,721 1,723 2,724 2,732 2,733 13,735 3,736 1,738 3,742 1,744 1,747 9,748 3,750 4,753 1,757 1,758 3,763 2,766 2,772 2,778 6.516}
{0 CHEMBL1425137,1 3.71,2 -0.072,3 0.101,4 4.062,5 1.853,6 253.75,7 2.979,8 13.954,9 8.921,10 -1,11 1.307,12 3.479,13 4.229,14 14.631,15 16.035,16 17.186,17 18.553,18 19.742,19 2.874,20 3.009,21 1.208,22 46.17,23 0.062,24 2.659,25 3.953,26 3.837,27 1.107,28 38.062,29 11.064,30 0.671,31 0.913,32 266.005,33 2.611,34 1.062,35 3.108,36 4.223,37 3.009,38 3.06,39 1.239,40 230.566,41 332.04,42 213,43 3.54,44 3.659,45 4.067,46 4.244,47 4.353,48 4.521,49 3.353,50 3.164,51 1,52 2,53 10.438,54 10.438,55 10.438,56 10.438,57 10.438,58 9.465,59 6.075,60 10.53,61 6.798,62 18.07,63 2.87,64 240,65 -1,67 -1,68 -1.5,69 -3,70 -4.789,71 14.507,72 19.319,73 1.276,74 1987,75 52.359,76 3.169,77 166.465,78 3.94,79 0.165,81 33,82 33,83 2,84 1.846,85 176.567,86 2.762,87 60.732,88 33.149,89 37.183,90 4.428,91 -1,92 6.16,93 -3,94 8.027,95 -4.789,96 9.959,97 11.919,98 13.892,99 2186,100 5.371,101 2.812,102 2.715,103 2.419,104 2.472,105 0.423,106 0.257,107 0.198,108 0.159,109 0.198,110 1.397,111 1.365,112 1.62,113 1.606,114 0.88,115 1.181,116 20.493,117 52.359,118 114.816,119 122.426,120 125.181,121 125.181,122 7.82,123 5.355,124 5.021,125 4.268,126 8.109,127 5.801,128 2.637,129 1.608,130 0.744,131 0.242,132 1.031,133 1.475,134 -0.038,135 2.491,137 4.437,138 0.324,139 0.136,140 4,141 2.805,142 1.515,143 0.685,144 1.308,146 103.272,147 -0.001,148 4.227,149 6.93,150 2.492,151 5,152 9.515,153 12.075,154 1.587,155 7.294,156 2.926,157 8.56,158 67.202,159 7.689,160 0.353,161 3.105,162 3.107,163 4.67,164 3.053,165 3.503,166 3.482,167 5.166,168 3.405,169 3.71,170 3.588,171 5.72,172 3.505,173 4.501,174 4.769,175 3.529,176 3.504,177 5.747,178 3.363,179 4.16,180 4.362,181 3.312,182 5.452,183 3.198,184 3.981,185 4.163,186 3.094,187 5.357,188 3.026,189 3.783,190 4.005,191 2.879,192 3.04,193 4.897,194 2.911,195 3.672,196 3.863,197 2.98,198 4.725,199 2.807,200 0.02,201 0.425,202 6.555,203 6.682,204 4.159,205 0.118,206 0.651,207 5.418,208 27.718,209 7.222,210 0.339,211 0.803,212 20.075,213 6.479,214 56.172,215 8.452,216 0.523,217 0.781,218 26.782,219 7.575,220 107.56,221 10.127,222 0.287,223 0.538,224 24.94,225 5.828,226 49.162,227 7.215,228 0.365,229 0.485,230 15.812,231 3.765,232 63.625,233 4.497,234 0.145,235 0.418,236 12.623,237 4.161,238 29.597,239 5.418,240 0.07,241 0.422,242 3.794,243 16.847,244 5.063,245 42,246 24,247 0.302,248 0.596,249 0.663,250 0.707,251 0.723,252 0.723,253 2.906,254 1.024,255 -3.66,256 -3.63,257 -3.46,259 39.4,260 3,262 1,265 1,268 5,278 1,280 1,287 7,289 1,291 1,293 2,294 7,296 5,300 3,301 3,302 1,303 3,305 1,307 2,309 3,312 3,314 3,317 4,320 2,323 9,326 1,328 7,334 3,335 314,336 13.044,337 8.325,338 8.325,339 8.325,340 8.325,341 8.325,342 8.508,343 3.458,344 1.915,345 1.565,346 1.335,347 1.251,348 1.251,349 3.52,350 1,353 1,355 64.666,358 1.135,359 22.773,361 1,362 1,363 1,364 1,365 1,366 1,367 1,368 1,369 36.833,370 124,371 4.466,372 4.201,373 7.197,374 4.361,375 3.359,376 3.64,377 2.696,378 11.876,379 3.358,380 3.978,381 3.598,382 5.969,383 3.671,384 2.705,385 3.457,386 8.242,387 2.591,388 3.67,389 5.325,390 3.328,391 2.36,392 2.873,393 6.786,394 2.259,395 2.939,396 2.505,397 4.443,398 2.552,399 1.561,400 2.07,401 0.053,402 3.922,403 1.524,404 2.76,405 2.126,406 3.612,407 2.306,408 1.272,409 1.724,411 2.927,412 1.303,413 2.5,414 1.519,415 3.252,416 2,417 1,418 1.5,420 2.136,421 1,422 1.825,423 1,424 3.247,425 1.286,426 0.402,427 0.5,428 0.929,429 0.286,430 1.176,431 0.492,432 2.522,433 0.754,434 -0.241,435 -0.317,436 -0.558,437 -0.225,438 0.5,439 0.034,440 2,441 0.018,442 -1,443 -1,444 -2.254,445 -0.957,446 0.479,447 -0.359,448 2,450 -1,451 -1,452 -2.347,453 -1,455 -0.834,456 1.91,458 -1,459 -1.373,460 -3,461 -1,463 1.555,465 -1,466 1.444,467 -0.326,468 -1.282,469 -1.558,470 -3.219,471 -1.035,472 -0.217,473 -1,474 1.252,475 -0.553,476 -1.455,477 -1.851,478 -0.852,479 -4.349,480 -1.537,481 -0.5,482 -1.181,483 1.189,484 -0.811,485 -1.744,486 -2,487 -1.05,488 -1.685,489 8.281,490 0.487,491 0.68,492 0.04,493 19.25,494 1.132,495 9.5,496 0.559,497 9.75,498 0.574,499 0.853,500 0.585,501 12.946,502 0.762,503 3.597,504 0.212,505 0.248,506 0.348,507 0.06,510 0.579,511 0.655,512 1.031,513 0.578,514 1.008,515 0.578,516 1.134,517 0.756,518 0.975,519 0.604,520 0.916,521 1.435,522 0.91,523 1.349,524 1.278,525 1.148,526 0.722,527 0.819,528 0.64,529 1.219,530 0.692,531 1.726,532 1,533 2.069,534 1.389,535 1.082,536 2.537,537 0.636,538 1.526,539 0.726,540 2.479,541 0.919,542 1.013,543 0.801,544 1.063,545 0.926,546 0.991,547 0.918,548 0.677,549 1.401,550 1.059,551 0.761,552 1.557,553 5,555 2.444,556 1.313,557 0.871,558 0.396,559 0.367,560 0.219,561 0.111,562 0.047,563 6196,564 1.794,565 48.5,566 9,567 6,570 1,573 1.57,574 1.606,575 2.896,576 -0.256,578 1,579 1,580 1,581 1.587,582 3.129,583 3.793,584 3.793,585 2.278,586 4.063,587 3.017,588 410.249,589 6.869,590 3763.96,592 1,594 1,595 1.792,596 0.294,598 0.102,599 0.057,600 0.046,601 0.023,602 0.028,603 0.018,604 0.014,605 0.016,606 0.598,607 0.83,608 1,609 1.973,610 70.533,611 -0.03,612 -0.002,613 -0.007,614 0.107,615 -0.033,616 0.096,617 0.04,618 0.026,619 0.09,620 -0.369,621 -0.013,622 -0.388,623 0.067,624 -0.338,625 0.068,626 0.147,627 0.196,628 0.284,629 0.075,630 0.248,631 -0.264,632 -0.113,633 -0.329,634 -0.216,635 -0.112,636 -0.094,637 -0.633,638 0.397,639 -0.368,640 0.172,641 -0.485,642 -0.083,643 -0.105,644 0.136,645 -0.048,646 0.091,647 -0.046,648 0.088,649 -0.108,650 -0.365,651 -0.384,652 -0.482,653 -0.133,654 -0.553,655 4.803,656 0.353,657 9.855,658 1.005,659 1.127,660 2.434,661 5.926,662 0.663,663 2.89,664 3.219,665 3.296,666 3.296,667 3.296,668 2.996,669 3.045,670 2.944,671 2.708,672 2.398,673 4.586,674 0.621,675 2.89,676 4.419,677 5.209,678 6.066,679 6.878,680 7.734,681 8.555,682 9.409,683 10.235,684 11.088,685 3,690 1,696 5,700 1,702 6,713 8,714 1,715 17,717 13,718 6,719 1,720 5,722 1,723 1,724 1,725 1,727 3,728 1,731 1,733 8,734 5,735 2,738 2,742 2,744 1,747 16,748 3,749 1,750 4,751 1,753 1,757 1,758 2,763 1,767 1,768 1,772 1,776 3,777 1,778 6.244}
{0 CHEMBL1429929,1 4.668,2 -0.097,3 0.105,4 4.583,5 2.95,6 388.4,7 3.877,8 16.599,9 21.099,10 -0.466,11 1.174,12 4.387,13 5.156,14 17.223,15 18.763,16 20.276,17 21.814,18 23.343,19 3.313,20 3.362,21 1.26,22 94.6,23 0.059,24 3.681,25 5.353,26 4.058,27 1.107,28 54.574,29 12.775,30 2.443,31 0.773,32 257.024,33 2.701,34 1.062,35 4.219,36 5.577,37 3.571,38 3.59,39 1.697,40 495.053,41 739.52,42 462,43 3.831,44 3.904,45 4.402,46 4.522,47 4.581,48 4.748,49 4.271,50 4.552,52 1,53 16.504,54 16.504,55 16.504,56 16.504,57 16.504,58 14.741,59 9.705,60 17.352,61 10.429,62 10.778,63 4.556,64 526,65 0.618,66 0.481,67 -0.486,68 -0.618,69 -0.871,70 -2.347,71 20.28,72 30.176,73 1.056,74 6539,75 82.301,76 4.027,77 219.66,78 4.574,79 0.018,81 41,82 42,83 3,84 2.432,85 221.447,86 3.544,87 111.457,88 43.196,89 47.095,90 6.047,91 -0.486,92 8.459,93 -0.871,94 10.981,95 -2.347,96 13.565,97 16.189,98 18.836,99 6800,100 5.772,101 3.348,102 3.1,103 2.545,104 2.582,105 0.271,106 0.159,107 0.127,108 0.142,109 0.11,110 1.604,111 1.572,112 1.815,113 1.799,114 1.43,115 1.141,116 27.453,117 82.301,118 179.885,119 191.395,120 194.15,121 194.15,122 12.131,123 7.498,124 7.248,125 5.946,126 11.741,127 9.185,128 4.705,129 3.101,130 2.238,131 0.211,132 0.747,133 0.837,134 -0.092,135 6.099,136 1,137 6.122,138 0.315,139 0.147,140 7,141 3.344,142 1.773,143 0.938,144 1.718,145 -1.186,146 151.356,147 -0.014,148 5.094,149 8.173,150 3.566,151 7,152 11.176,153 14.189,154 2.007,155 10,156 3.72,157 13.839,158 87.09,159 9.473,160 0.444,161 3.717,162 3.378,163 5.065,164 3.372,165 4.089,166 3.681,167 6.247,168 3.696,169 4.057,170 3.76,171 6.113,172 3.752,173 4.517,174 4.656,175 4.075,176 3.723,177 5.978,178 3.74,179 4.543,180 4.67,181 3.732,182 6.262,183 3.767,184 4.609,185 4.749,186 3.719,187 6.604,188 3.75,189 4.61,190 4.785,191 3.896,192 3.581,193 6.21,194 3.626,195 4.459,196 4.652,197 3.301,198 6.038,199 3.376,200 0.273,201 0.804,202 6.819,203 60.124,204 4.005,205 1.164,206 1.539,207 6.909,208 204.213,209 6.801,210 1.123,211 1.294,212 22.462,213 7.824,214 154.716,215 8.133,216 1.007,217 1.317,218 18.32,219 7.427,220 177.08,221 6.209,222 1.104,223 1.498,224 21.469,225 7.949,226 198.851,227 7.023,228 1.506,229 1.515,230 23.89,231 8.847,232 286.5,233 8.248,234 1.429,235 1.512,236 27.924,237 8.795,238 249.388,239 6.875,240 1.36,241 1.168,242 6.341,243 231.427,244 4.944,245 59,246 39,247 0.354,248 0.651,249 0.773,250 0.823,251 0.835,252 0.835,253 3.304,254 1.021,255 -4.02,256 -3.97,257 -3.76,259 39,260 1,261 1,264 2,266 1,268 6,269 1,271 2,274 1,280 1,287 6,288 3,289 6,294 7,295 4,296 4,301 5,303 6,309 3,310 4,313 4,314 6,317 2,320 7,323 2,326 8,328 2,331 4,334 1,335 1072,336 12.152,337 13.29,338 13.29,339 13.29,340 13.29,341 13.29,342 14.649,343 3.35,344 1.666,345 0.97,346 0.689,347 0.622,348 0.622,349 3.959,352 1,353 1,355 184.388,358 1.462,359 64.575,362 1,363 1,364 1,365 0.8,366 0.5,367 1,368 0.9,369 61.5,370 260,371 4.864,372 5.248,373 7.316,374 4.292,375 3.435,376 4.716,377 3.825,378 12.514,379 2.973,380 4.445,381 4.46,382 7.102,383 4.101,384 3.262,385 3.948,386 11.65,387 2.742,388 4.13,389 6.142,390 3.767,391 2.799,392 3.535,393 9.071,394 2.649,395 3.643,396 2.943,397 5.097,398 3.314,399 2.344,400 2.859,401 0.286,402 6.122,403 2.248,404 3.472,405 2.667,406 4.949,407 2.948,408 2.011,409 2.799,411 5.753,412 1.872,413 3.049,414 2.025,415 4.502,416 2.543,417 1.601,418 2.262,420 4.113,421 1.486,422 2.724,423 1.816,424 4.316,425 2.226,426 1.327,427 1.791,428 3.993,429 1.173,430 2.53,431 1.679,432 3.496,433 2.026,434 1.101,435 1.544,436 2.588,437 1.008,438 2.5,439 1.117,440 3.392,441 2,442 1.036,443 1.5,444 2.136,445 1,446 2.162,447 1.001,448 3.247,449 1.999,450 1,451 1.139,452 1.992,453 0.989,454 1.746,455 1,456 2.953,457 1.462,458 0.467,459 0.54,460 0.916,461 0.456,462 1,463 2.84,464 0.926,465 0.51,466 2.657,467 0.398,468 -0.568,469 -0.661,470 -1.261,471 -0.531,472 0.785,473 0.51,474 2.49,475 0.27,476 -0.648,477 -0.879,479 -2.066,480 -0.589,481 0.675,482 0.142,483 2,484 0.048,485 -0.907,486 -1,488 -0.7,489 11.824,490 0.455,491 0.955,492 0.037,493 33,494 1.269,495 16.5,496 0.635,497 16.5,498 0.635,499 0.78,500 0.736,501 29.601,502 1.138,503 6.555,504 0.252,505 0.214,506 0.199,507 0.113,508 3,510 0.565,511 0.734,512 1.296,513 0.637,514 1.003,515 0.509,516 0.837,517 0.83,518 1.144,519 0.462,520 0.995,521 0.668,522 0.911,523 0.828,524 0.834,525 1.169,526 1.02,527 1.015,528 1.001,529 1.217,530 0.96,531 0.736,532 1.02,533 0.831,534 0.897,535 0.929,536 0.747,537 1.218,538 1.01,539 1.199,540 0.747,541 0.99,542 1.684,543 1.399,544 1.498,545 1.198,546 1.688,547 1.049,548 1.848,549 1.243,550 1.297,551 1.847,552 0.995,553 8,554 0.099,555 3.778,556 1.75,557 1.6,558 1.931,559 0.713,560 0.385,561 0.385,562 0.151,563 28558,564 1.892,565 36.6,567 10,571 2,572 3,573 1.698,574 1.714,575 3.214,576 -0.608,578 1,581 2.007,582 3.692,583 4.735,584 4.735,585 2.671,586 4.666,587 3.4,588 1105.06,589 8.128,590 13655.6,591 1,592 1,594 1,595 1.767,596 0.296,597 0.008,598 0.097,599 0.045,600 0.043,601 0.046,602 0.017,603 0.012,604 0.017,605 0.008,606 0.589,607 0.33,608 1,609 1.879,610 125.793,611 0.006,612 0.153,613 -0.082,614 0.356,615 0.173,616 0.11,617 -0.072,618 0.359,619 -0.042,620 0.09,621 0.053,622 0.135,623 0.012,624 0.136,625 -0.271,626 -0.101,627 -0.072,628 0.003,629 -0.269,630 -0.035,631 0.166,632 -0.087,633 0.225,634 -0.093,635 0.055,636 0.003,637 0.318,638 -0.13,639 0.094,640 -0.102,641 0.394,642 -0.033,643 -0.42,644 -0.157,645 -0.363,646 -0.129,647 -0.343,648 -0.094,649 -0.516,650 -0.054,651 -0.381,652 -0.006,653 -0.466,654 -0.105,655 5.303,656 0.462,657 23.692,658 1.054,659 1.149,660 2.794,661 7.804,662 0.668,663 3.332,664 3.689,665 3.829,666 3.989,667 4.29,668 4.369,669 4.443,670 4.419,671 4.357,672 4.263,673 5.864,674 0.67,675 3.332,676 4.89,677 5.707,678 6.594,679 7.447,680 8.338,681 9.208,682 10.102,683 10.981,684 11.878,685 4.9,693 2,696 6,697 2,700 4,702 12,713 15,714 1,715 27,717 16,718 10,719 1,720 5,723 2,724 2,727 2,730 1,731 1,733 11,734 5,735 3,737 1,738 3,742 1,744 1,745 3,747 15,748 9,750 10,751 1,753 2,757 1,758 4,760 1,763 2,770 1,772 2,774 1,776 1,778 6.026}
{0 CHEMBL1430895,1 4.258,2 -0.122,3 0.11,4 3.742,5 2.95,6 308.33,7 3.644,8 10.537,9 7.007,10 -0.7,11 1.231,12 4.075,13 5.033,14 17.158,15 18.686,16 20.194,17 21.722,18 23.244,19 2.735,20 2.825,21 1.071,22 96.54,23 0.06,24 2.906,25 3.172,26 4.047,27 0.555,28 33.243,29 12.712,31 0.745,32 126.711,33 2.393,34 0.578,35 4.107,36 3.899,37 3.187,38 3.24,39 1.39,40 426.088,41 636.15,42 394,43 3.426,44 3.471,45 3.985,46 4.067,47 4.056,48 4.18,49 4.063,50 3.087,53 11.599,54 11.599,55 11.599,56 11.599,57 11.599,58 10.081,59 6.514,60 12.407,61 7.488,62 7.344,63 3.119,64 231,65 -0.123,66 -0.201,67 -1,68 -1,69 -3,70 -3.137,71 13.416,72 21.61,73 0.917,74 2559,75 58.586,76 2.905,77 122.211,78 4.096,79 0.015,81 26,82 27,83 2,84 1.265,85 127.278,86 2.889,87 73.956,88 28.084,89 29.935,90 5.933,91 -1,92 8.407,93 -3,94 10.957,95 -3.137,96 13.555,97 16.184,98 18.834,99 2714,100 5.526,101 2.919,102 2.494,103 2.072,104 2.083,105 0.359,106 0.213,107 0.17,108 0.191,109 0.147,110 1.443,111 1.409,112 1.574,113 1.588,114 1.258,115 0.787,116 19.104,117 58.586,118 105.947,119 110.702,120 110.702,121 110.702,122 8.677,123 4.99,124 4.648,125 3.808,126 8.814,127 7.651,128 3.84,129 2.501,130 1.639,131 0.222,132 0.806,133 0.469,134 -0.055,135 5.978,137 3.459,138 0.317,139 0.142,140 2,141 2.848,142 1.57,143 0.658,144 1.373,146 95.947,147 0.012,148 5.017,149 8.131,150 1.079,151 4,152 11.138,153 14.14,154 2.253,155 6.053,156 3.369,157 11.353,158 65.623,159 11.859,160 0.55,161 3.578,162 3.1,163 4.708,164 3.057,165 3.954,166 3.394,167 6.066,168 3.396,169 3.798,170 3.32,171 5.828,172 3.323,173 3.92,174 4.043,175 3.751,176 3.302,177 5.478,178 3.307,179 3.955,180 4.034,181 3.344,182 5.621,183 3.346,184 4.104,185 4.18,186 3.185,187 6.403,188 3.263,189 3.942,190 4.139,191 3.067,192 2.699,193 5.697,194 2.767,195 3.195,196 3.469,197 1.775,198 4.564,199 1.627,200 0.241,201 0.651,202 1.357,203 61.22,204 1.96,205 0.886,206 1.312,207 5.313,208 178.685,209 3.619,210 0.721,211 0.956,212 7.945,213 4.633,214 108.275,215 3.242,216 0.639,217 0.995,218 5.315,219 4.417,220 111.775,221 2.54,222 0.536,223 1.167,224 9.345,225 5.723,226 118.028,227 3.209,228 1.098,229 1.194,230 9.622,231 6.376,232 246.816,233 3.445,234 1.111,235 0.856,236 17.571,237 5.687,238 195.251,239 3.324,240 0.594,241 0.224,242 2.399,243 104.957,244 1.953,245 41,246 31,247 0.441,248 0.722,249 0.798,250 0.833,251 0.833,252 0.833,253 3.012,254 1.148,255 -3.65,256 -3.62,257 -3.45,259 38.5,263 1,266 1,268 3,271 2,274 1,275 1,276 1,287 1,288 2,289 2,294 2,295 4,296 2,301 2,303 1,309 1,314 5,320 2,335 356,336 7.607,337 9.887,338 9.887,339 9.887,340 9.887,341 9.887,342 11.335,343 2.447,344 1.01,345 0.626,346 0.443,347 0.443,348 0.443,349 3.649,353 1,354 50.784,355 63.663,358 0.798,359 47.032,362 1,363 1,364 1,365 0.4,367 1,368 0.77,369 45.5,370 115,371 4.824,372 5.181,373 7.186,374 4.263,375 3.404,376 4.682,377 3.825,378 11.983,379 2.935,380 4.438,381 4.459,382 7.052,383 4.065,384 3.23,385 3.949,386 11.446,387 2.683,388 4.141,389 6.139,390 3.72,391 2.803,392 3.55,393 9.054,394 2.53,395 3.466,396 2.563,397 4.909,398 2.893,399 2,400 2.827,402 5.707,403 1.763,404 2.97,405 1.995,406 4.377,407 2.427,408 1.514,409 2.151,411 4.037,412 1.366,413 2.711,414 1.623,415 4.318,416 2.188,417 1.285,418 1.772,420 3.92,421 1.14,422 2.287,423 0.849,424 3.276,425 1.727,426 0.8,427 1.184,428 1.958,429 0.728,430 2.118,431 0.655,432 3,433 1.461,434 0.618,435 0.927,436 1.372,437 0.506,438 1,439 0.618,440 2.861,441 0.305,442 -0.626,443 -0.851,444 -1.897,445 -0.57,446 0.81,447 0.51,448 2.811,449 0.27,450 -0.644,451 -0.861,452 -2.059,453 -0.583,454 0.776,455 0.51,456 2.367,458 -1,459 -1,460 -3,461 -0.7,462 0.304,463 2,464 0.057,465 -0.436,466 2,467 -0.3,468 -1,469 -1.216,470 -3,471 -0.784,473 -0.797,474 2,475 -0.3,476 -1,477 -1.543,479 -3,480 -1,482 -1,483 2,484 -0.367,485 -1.285,486 -2,488 -1.153,489 8.99,490 0.473,491 0.909,492 0.048,493 25.25,494 1.329,495 13,496 0.684,497 12.25,498 0.645,499 0.706,500 0.831,501 19.313,502 1.016,503 4.777,504 0.251,505 0.205,506 0.225,507 0.148,508 3,510 0.55,511 0.79,512 1.075,513 0.681,514 0.858,515 0.471,516 0.743,517 1.027,518 1.097,519 0.45,520 0.889,521 0.675,522 0.918,523 0.775,524 0.933,525 1.14,526 1.009,527 0.966,528 0.78,529 1.022,530 0.777,531 0.81,532 1.101,533 0.73,534 0.996,535 1.049,536 0.894,537 1.443,538 0.853,539 1.359,540 0.892,541 1.173,542 2.103,543 1.377,544 1.713,545 1.091,546 1.91,547 1.244,548 1.737,549 0.706,550 1.234,551 1.72,552 1.334,553 7,555 2.889,556 1.215,557 1.339,558 1.562,559 0.403,560 0.245,563 14097,564 1.882,565 26.9,567 6,568 1,573 1.613,574 1.676,575 2.613,576 -0.517,580 1,581 2.253,582 3.69,583 4.258,584 4.258,585 1.763,586 4.223,587 2.759,588 471.833,589 7.241,590 4728.13,592 1,594 1,595 1.871,596 0.35,598 0.093,599 0.045,600 0.051,601 0.056,602 0.015,603 0.02,606 0.631,607 0.5,608 1,609 1.091,610 80.041,611 0.008,612 0.091,613 -0.035,614 0.379,615 0.239,616 -0.081,617 -0.069,618 0.409,619 -0.004,620 0.06,621 -0.114,622 0.042,623 -0.032,624 -0.061,625 -0.318,626 -0.051,627 -0.158,628 0.104,629 -0.223,630 0.087,631 0.041,632 -0.125,633 0.25,634 -0.19,635 -0.129,636 -0.157,637 0.332,638 -0.328,639 0.199,640 -0.292,641 0.387,642 -0.268,643 -0.683,644 -0.118,645 -0.61,646 -0.092,647 -0.524,648 -0.155,649 -0.495,650 0.125,651 -0.205,652 0.281,653 -0.523,654 -0.022,655 4.696,656 0.579,657 11.856,658 1.08,659 1.151,660 2.419,661 5.854,662 0.734,663 3.045,664 3.466,665 3.584,666 3.761,667 4.007,668 4.143,669 4.111,670 3.989,671 3.611,672 3.045,673 4.232,674 0.735,675 3.045,676 4.635,677 5.46,678 6.372,679 7.232,680 8.139,681 9.012,682 9.917,683 10.796,684 11.699,685 7.7,693 2,696 4,697 2,699 1,700 4,702 11,713 13,715 20,717 10,718 8,723 2,724 2,727 1,730 1,733 8,734 2,735 2,737 1,738 2,744 1,745 3,747 7,748 7,750 9,751 2,753 2,757 1,758 2,760 1,762 1,763 1,772 2,774 2,776 1,778 6.059}
{0 CHEMBL1449204,1 4.557,2 -0.104,3 0.098,4 4.472,5 3.42,6 374.37,7 3.957,8 14.487,9 16.22,10 -0.467,11 1.358,12 4.254,13 5.196,14 17.235,15 18.777,16 20.291,17 21.831,18 23.362,19 3.237,20 3.286,21 1.167,22 94.6,23 0.053,24 3.679,25 4.85,26 4.052,27 1.107,28 51.148,29 12.781,30 2.218,31 0.788,32 233.482,33 2.693,34 1.062,35 4.171,36 5.077,37 3.52,38 3.558,39 1.66,40 492.019,41 735.96,42 458,43 3.767,44 3.833,45 4.33,46 4.439,47 4.492,48 4.643,49 4.221,50 4.206,52 1,53 15.797,54 15.797,55 15.797,56 15.797,57 15.797,58 14.034,59 9.272,60 16.617,61 9.991,62 10.112,63 4.354,64 464,65 0.51,66 0.48,67 -0.487,68 -0.66,69 -1.256,70 -2.347,71 18.537,72 28.876,73 1.041,74 5666,75 77.957,76 4.134,77 199.421,78 4.512,79 0.013,81 38,82 39,83 3,84 2.182,85 197.905,86 3.421,87 105.342,88 40.313,89 43.68,90 6.251,91 -0.487,92 8.742,93 -1.256,94 11.293,95 -2.347,96 13.873,97 16.471,98 19.084,99 5918,100 5.756,101 3.289,102 2.991,103 2.515,104 2.549,105 0.282,106 0.165,107 0.132,108 0.147,109 0.114,110 1.572,111 1.551,112 1.792,113 1.78,114 1.399,115 1.11,116 25.927,117 77.957,118 161.647,119 173.157,120 175.911,121 175.911,122 11.631,123 6.998,124 6.751,125 5.55,126 11.241,127 8.685,128 4.312,129 2.886,130 2.019,131 0.221,132 0.795,133 0.754,134 -0.095,135 6.124,136 1,137 5.565,138 0.316,139 0.156,140 6,141 3.293,142 1.751,143 0.933,144 1.684,145 -1.205,146 139.995,147 -0.017,148 5.094,149 8.173,150 3.635,151 7,152 11.18,153 14.198,154 2.052,155 9.2,156 3.685,157 13.581,158 82.541,159 9.852,160 0.462,161 3.688,162 3.316,163 5.032,164 3.318,165 4.067,166 3.611,167 6.229,168 3.642,169 4.077,170 3.671,171 6.081,172 3.695,173 4.418,174 4.54,175 4.068,176 3.643,177 6.155,178 3.679,179 4.438,180 4.561,181 3.679,182 6.036,183 3.705,184 4.551,185 4.668,186 3.627,187 6.598,188 3.701,189 4.525,190 4.689,191 3.843,192 3.42,193 6.209,194 3.529,195 4.292,196 4.45,197 3.141,198 6.272,199 3.241,200 0.293,201 0.767,202 5.602,203 63.513,204 3.456,205 1.161,206 1.477,207 6.345,208 202.401,209 5.821,210 1.09,211 1.21,212 18.06,213 6.73,214 150.555,215 6.458,216 1.091,217 1.248,218 13.218,219 6.613,220 185.172,221 5.533,222 0.88,223 1.433,224 20.921,225 7.925,226 164.096,227 6.592,228 1.542,229 1.431,230 22.148,231 8.162,232 307.527,233 6.539,234 1.521,235 1.399,236 21.126,237 7.022,238 258.875,239 4.462,240 1.535,241 0.911,242 5.084,243 230.5,244 3.947,245 58,246 38,247 0.367,248 0.66,249 0.762,250 0.816,251 0.829,252 0.829,253 3.268,254 1.002,255 -3.78,256 -3.75,257 -3.56,259 39.5,260 1,264 2,266 1,268 6,269 1,271 2,274 1,280 1,287 6,288 3,289 4,294 7,295 4,296 2,301 5,302 4,303 4,309 2,310 4,314 8,320 11,326 6,331 4,334 2,335 920,336 11.417,337 12.816,338 12.816,339 12.816,340 12.816,341 12.816,342 14.165,343 3.196,344 1.564,345 0.994,346 0.691,347 0.619,348 0.619,349 3.92,352 1,353 1,355 174.644,358 1.328,359 63.465,361 1,362 1,363 1,364 1,365 0.6,366 0.5,367 1,368 0.87,369 59.5,370 230,371 4.872,372 5.271,373 7.328,374 4.3,375 3.442,376 4.722,377 3.825,378 12.593,379 2.976,380 4.447,381 4.46,382 7.104,383 4.11,384 3.268,385 3.95,386 11.661,387 2.76,388 4.13,389 6.143,390 3.768,391 2.801,392 3.535,393 9.077,394 2.649,395 3.602,396 2.906,397 5.204,398 3.223,399 2.27,400 2.876,401 0.277,402 6.278,403 2.13,404 3.446,405 2.607,406 4.83,407 2.926,408 1.981,409 2.716,411 5.474,412 1.858,413 3.041,414 2.015,415 4.427,416 2.528,417 1.587,418 2.247,420 4.042,421 1.47,422 2.718,423 1.81,424 4.313,425 2.199,426 1.299,427 1.782,428 3.948,429 1.152,430 2.53,431 1.679,432 3.493,433 2.006,434 1.046,435 1.543,436 2.585,437 1,438 2.5,439 1.097,440 3.262,441 2,442 1,443 1.5,444 2.136,445 0.998,446 2.121,447 1,448 3.247,449 1.943,450 1,451 1.072,452 1.66,453 0.928,454 1,455 0.819,456 2.847,457 0.594,458 -0.32,459 -0.347,460 -0.639,461 -0.281,462 1,463 2.792,464 0.925,465 0.51,466 2.517,467 0.373,468 -0.636,469 -0.824,470 -1.349,471 -0.584,472 0.784,473 0.365,474 2.45,475 0.268,476 -0.668,477 -0.928,479 -2.076,480 -0.651,481 0.639,482 -0.053,483 2,484 0.048,485 -0.907,486 -1,488 -0.7,489 11.324,490 0.453,491 0.955,492 0.038,493 32.5,494 1.3,495 16.5,496 0.66,497 16,498 0.64,499 0.741,500 0.76,501 29.25,502 1.17,503 6.555,504 0.262,505 0.203,506 0.208,507 0.118,508 3,510 0.576,511 0.73,512 1.29,513 0.651,514 0.982,515 0.525,516 0.82,517 0.835,518 1.128,519 0.477,520 0.965,521 0.666,522 0.768,523 0.79,524 0.807,525 0.918,526 1.028,527 0.863,528 0.913,529 0.935,530 0.911,531 0.751,532 1.032,533 1.014,534 0.965,535 0.962,536 0.991,537 1.285,538 1.171,539 1.279,540 0.967,541 1.007,542 1.911,543 1.398,544 1.404,545 0.966,546 1.885,547 0.987,548 1.291,549 1.037,550 1.117,551 1.263,552 0.956,553 8,554 0.033,555 3.556,556 2,557 1.6,558 1.819,559 0.654,560 0.547,561 0.291,562 0.12,563 25847,564 1.888,565 34.2,567 10,572 3,573 1.689,574 1.705,575 3.105,576 -0.593,578 1,581 2.052,582 3.684,583 4.629,584 4.629,585 2.613,586 4.612,587 3.277,588 982.995,589 8.026,590 11717.6,591 1,592 1,593 1,594 1,595 1.791,596 0.308,597 0.004,598 0.094,599 0.053,600 0.042,601 0.045,602 0.016,603 0.018,604 0.013,605 0.009,606 0.601,607 0.33,608 1,609 1.735,610 118.457,612 0.151,613 -0.09,614 0.346,615 0.188,616 0.103,617 -0.061,618 0.35,619 -0.029,620 0.09,621 0.137,622 0.126,623 -0.027,624 0.137,625 -0.028,626 -0.096,627 0.01,628 0.049,629 -0.01,630 -0.012,631 0.095,632 -0.072,633 0.173,634 -0.151,635 -0.067,636 0.017,637 0.124,638 -0.206,639 -0.069,640 -0.179,641 0.264,642 -0.078,643 -0.578,644 -0.141,645 -0.426,646 -0.048,647 -0.488,648 -0.117,649 0.053,650 0.128,651 -0.216,652 0.07,653 0.046,654 -0.097,655 5.187,656 0.48,657 20.752,658 1.061,659 1.149,660 2.553,661 6.519,662 0.674,663 3.296,664 3.664,665 3.807,666 4.007,667 4.263,668 4.357,669 4.431,670 4.431,671 4.317,672 4.22,673 5.479,674 0.682,675 3.296,676 4.86,677 5.68,678 6.578,679 7.432,680 8.334,681 9.203,682 10.107,683 10.985,684 11.89,685 5.3,693 2,696 6,697 2,700 4,702 12,713 15,714 1,715 26,717 15,718 10,719 1,720 5,723 2,724 2,727 2,730 1,733 11,734 4,735 3,737 1,738 3,742 1,743 1,744 1,745 3,747 13,748 9,750 10,751 1,753 2,757 1,758 4,760 1,763 2,770 1,772 2,774 1,776 1,778 5.6}
{0 CHEMBL1452646,1 5.037,2 -0.024,3 0.082,4 3.873,5 1.631,6 469.53,7 2.853,8 19.868,9 26.427,10 1.117,11 0.821,12 4.295,13 5.727,14 16.817,15 18.334,16 19.772,17 21.276,18 22.746,19 3.55,20 3.565,21 1.277,22 92.95,23 0.044,24 3.632,25 5.018,26 4.039,27 1.502,28 52.408,29 12.621,30 1.2,31 0.803,32 366.677,33 3.155,34 1.512,35 4.09,36 7.199,37 3.794,38 3.83,39 1.739,40 563.29,41 829.06,42 531,43 4.178,44 4.271,45 4.709,46 4.849,47 4.953,48 5.134,49 4.194,50 5.209,52 10,53 24.051,54 24.051,55 24.051,56 24.051,57 24.051,58 21.194,59 14.292,60 24.378,61 14.826,62 15.674,63 6.775,64 1096,65 1.431,66 2.121,67 1.125,68 1.5,69 2.696,70 1.995,71 27.164,72 36.433,73 1.312,74 20412,75 90.974,76 4.615,77 339.763,78 5.076,79 0.113,81 58,82 62,83 3,84 3.468,85 270.735,86 4.656,87 171.525,88 58.778,89 64.694,90 3.819,91 1.125,92 5.001,93 2.696,94 6.287,95 1.995,96 7.633,97 9.015,98 10.422,99 18836,100 5.603,101 3.613,102 3.401,103 2.941,104 2.91,105 0.172,106 0.107,107 0.081,108 0.053,109 0.08,110 1.786,111 1.728,112 1.939,113 1.957,114 1.5,115 1.54,116 38.906,117 90.974,118 249.134,119 292.153,120 309.763,121 309.763,122 17.097,123 11.151,124 10.972,125 9.014,126 17.097,127 11.329,128 5.984,129 4.112,130 2.734,131 0.324,132 0.807,133 0.972,134 -0.22,135 2.249,136 2,137 6.71,138 0.347,139 0.186,140 6,141 3.593,142 1.969,143 1.06,144 1.696,145 1.115,146 198.663,147 -0.021,148 4.966,149 8.036,150 3.965,151 9,152 10.964,153 13.882,154 1.569,155 14.143,156 3.574,157 12.774,158 127.006,159 8.095,160 0.564,161 3.82,162 3.736,163 5.346,164 3.741,165 4.179,166 4.113,167 5.885,168 4.105,169 4.249,170 4.242,171 6.129,172 4.206,173 4.992,174 5.16,175 4.221,176 4.204,177 6.219,178 4.181,179 5.006,180 5.185,181 4.158,182 6.298,183 4.135,184 4.905,185 5.085,186 4.142,187 6.039,188 4.094,189 4.885,190 5.07,191 4.047,192 4.077,193 6.155,194 4.032,195 4.801,196 4.988,197 3.979,198 6.081,199 3.931,200 0.072,201 0.802,202 9.758,203 10.147,204 6.017,205 0.46,206 1.341,207 8.274,208 32.226,209 9.851,210 0.719,211 1.651,212 28.578,213 11.027,214 66.393,215 13.752,216 0.572,217 1.619,218 30.173,219 11.643,220 95.578,221 13.479,222 1.043,223 1.579,224 33.194,225 11.565,226 131.111,227 13.367,228 0.597,229 1.468,230 28.356,231 11.218,232 56.798,233 13.454,234 0.601,235 1.443,236 28.102,237 10.738,238 100.756,239 12.916,240 0.77,241 1.32,242 9.809,243 92.174,244 11.935,245 10,246 54,247 0.251,248 0.548,249 0.687,250 0.806,251 0.855,252 0.855,253 3.588,254 0.871,255 -3.48,256 -3.45,257 -3.3,259 46.6,264 5,268 12,269 3,271 2,275 1,276 1,280 3,287 13,288 3,289 8,294 13,295 5,296 11,301 11,303 7,309 9,310 6,313 2,314 11,317 10,319 1,320 7,323 8,325 5,326 10,328 4,330 1,331 10,334 1,335 2322,336 14.43,337 19.243,338 19.243,339 19.243,340 19.243,341 19.243,342 19.704,343 4.289,344 2.433,345 1.563,346 0.821,347 0.517,348 0.517,349 4.295,353 1,354 112.606,355 427.27,357 172.313,358 2.09,359 44.769,362 1,363 0.83,364 1,365 0.6,366 0.5,367 1,368 0.85,369 76.5,370 495,371 4.603,372 3.784,373 6.704,374 4.16,375 3.173,376 4.525,377 2.082,378 10.884,379 3.129,380 4.25,381 3.693,382 6.395,383 3.968,384 2.991,385 3.74,386 9.682,387 2.925,388 4.091,389 6.093,390 3.731,391 2.761,392 3.68,393 8.865,394 2.693,395 3.955,396 2.993,397 6.017,398 3.696,399 2.708,400 3.238,401 0.616,402 8.533,403 2.642,404 3.794,405 2.661,406 5.661,407 3.382,408 2.404,409 3.093,410 0.293,411 7.399,412 2.34,413 3.5,414 2.547,415 5.241,416 3.18,417 2.212,418 2.731,419 0.106,420 6.366,421 2.132,422 3.322,423 2.213,424 4.597,425 2.82,426 1.834,427 2.715,428 4.699,429 1.806,430 3.039,431 1.975,432 4.475,433 2.628,434 1.665,435 2.201,436 4.456,437 1.595,438 2.919,439 1.878,440 4.205,441 2.472,442 1.467,443 2.116,444 3.731,445 1.459,446 2.867,447 1.817,448 3.838,449 2.42,450 1.425,451 1.892,452 3.069,453 1.416,454 2.63,455 1.701,456 3.685,457 2.194,458 1.215,459 1.688,460 2.933,461 1.181,462 2.5,463 3.575,464 2.479,465 1.155,466 3.423,467 2,468 1,469 1.447,470 2.275,471 1,472 2.251,473 1.146,474 3.414,475 1.967,476 1,477 1.114,479 2.136,480 0.965,481 2.118,482 1.034,483 3.247,484 1.762,485 0.788,486 1,488 0.762,489 16.367,490 0.468,491 0.747,492 0.021,493 47.75,494 1.364,495 24.5,496 0.7,497 23.25,498 0.664,499 0.776,500 0.628,501 40.288,502 1.151,503 9.899,504 0.283,505 0.206,506 0.061,510 0.698,511 0.677,512 1.087,513 0.527,514 0.917,515 0.844,516 1.088,517 0.88,518 0.948,519 0.582,520 0.913,521 0.93,522 0.929,523 0.933,524 0.941,525 1.351,526 1.152,527 1.089,528 1.109,529 1.611,530 1.056,531 1.429,532 0.794,533 1.09,534 1.402,535 0.878,536 1.141,537 0.968,538 1.045,539 1.018,540 0.916,541 1.02,542 1.177,543 1.085,544 1.066,545 1.074,546 1.33,547 1.054,548 1.063,549 0.931,550 1.046,551 1.364,552 1.006,553 5.5,554 0.152,555 4.444,556 2.09,557 1.76,558 1.264,559 0.74,560 0.489,561 0.371,562 0.248,563 57644,564 2.141,565 39.7,567 22,568 1,573 1.765,574 2.039,575 3.755,576 -0.765,578 1,581 1.569,582 3.425,583 5.341,584 5.341,585 3.223,586 5.101,587 3.963,588 2358.07,589 8.943,590 37928.6,595 1.271,596 0.141,597 0.005,598 0.082,599 0.037,600 0.033,601 0.025,602 0.016,603 0.011,604 0.009,605 0.007,606 0.366,607 0.33,608 0.75,609 0.45,610 191.489,611 -0.026,612 0.062,613 -0.099,614 0.041,615 0.014,616 -0.023,618 0.031,619 -0.017,620 0.118,621 0.013,622 0.027,623 0.051,624 0.009,625 -0.186,626 -0.171,627 -0.108,628 -0.138,629 -0.2,630 -0.112,631 -0.042,632 0.171,633 -0.042,634 0.143,635 -0.037,636 0.063,637 -0.08,638 -0.012,639 -0.063,640 -0.024,641 -0.047,642 -0.04,643 -0.077,644 -0.123,645 -0.066,646 -0.091,647 -0.026,648 -0.079,649 0.095,650 0.035,651 -0.028,652 0.005,653 -0.015,654 -0.035,655 6.018,656 0.771,657 40.869,658 1.013,659 1.115,660 2.245,661 5.042,662 0.688,663 3.689,664 4.007,665 4.304,666 4.543,667 4.762,668 4.844,669 4.997,670 5.063,671 5.142,672 5.159,673 8.328,674 0.671,675 3.689,676 5.231,677 6.089,678 6.961,679 7.834,680 8.712,681 9.59,682 10.471,683 11.353,684 12.236,685 5.2,690 2,693 1,695 2,696 13,697 1,698 1,700 4,702 22,705 1,706 1,713 25,714 2,715 39,717 27,718 19,719 3,720 9,721 2,723 5,724 6,733 22,734 5,735 3,738 3,742 3,744 1,746 1,747 23,748 8,750 8,753 3,757 0.8,758 5,759 1,762 1,763 4,765 1,769 1,772 4,778 5.549}
{0 CHEMBL1481587,1 4.338,2 -0.18,3 0.132,4 3.606,6 367.52,7 3.166,8 13.833,9 19.515,10 -0.049,11 0.983,12 3.403,13 5.326,14 17.257,15 18.821,16 20.343,17 21.9,18 23.441,19 3.14,20 3.193,21 1.194,22 80.18,23 0.078,24 3.267,25 4.595,26 4.085,27 1.107,28 41.385,29 12.803,31 0.763,32 244.422,33 2.751,34 1.062,35 4.053,36 4.746,37 3.661,38 3.646,39 1.643,40 427.784,41 618.72,42 400,43 3.818,44 3.892,45 4.296,46 4.408,47 4.491,48 4.644,49 4.042,50 4.23,51 2,52 11,53 16.731,54 16.731,55 16.731,56 16.731,57 16.731,58 14.068,59 10.11,60 17.078,61 9.46,62 5.206,63 4.858,64 495,65 0.878,66 0.83,67 -0.058,68 -0.073,69 -0.155,70 -1.999,71 16.747,72 25.067,73 1.019,74 6633,75 66.552,76 4.004,77 226.477,78 4.574,79 0.034,81 42,82 44,83 2,84 2.354,85 200.109,86 3.662,87 102.096,88 41.978,89 46.079,90 5.557,91 -0.058,92 7.983,93 -0.155,94 10.413,95 -1.999,96 12.843,97 15.272,98 17.702,99 6469,100 5.7,101 3.523,102 3.052,103 2.735,104 2.715,105 0.271,106 0.16,107 0.126,108 0.125,109 0.114,110 1.856,111 1.828,112 1.93,113 1.952,114 1.537,115 1.181,116 29.04,117 66.552,118 142.91,119 182.213,120 193.722,121 195.722,122 12.044,123 7.901,124 7.454,125 6.262,126 13.273,127 10.001,128 5.935,129 4.306,130 3.275,131 0.196,132 0.69,133 0.865,134 -0.064,135 4.694,137 5.374,138 0.321,139 0.165,140 5,141 3.597,142 1.979,143 1.043,144 1.694,146 113.117,147 0.034,148 4.934,149 8.09,150 3.537,151 10,152 11.14,153 14.19,154 1.585,155 9.32,156 5.718,157 32.699,158 104.221,159 8.75,160 0.667,161 3.734,162 3.571,163 4.913,164 3.478,165 4.019,166 3.914,167 5.676,168 3.805,169 4.124,170 4.035,171 5.633,172 3.866,173 4.527,174 4.701,175 4.094,176 3.928,177 5.75,178 3.771,179 4.375,180 4.521,181 3.869,182 5.662,183 3.755,184 4.398,185 4.476,186 3.969,187 5.809,188 3.873,189 4.611,190 4.756,191 3.857,192 3.99,193 5.934,194 3.89,195 4.523,196 4.725,197 3.876,198 5.595,199 3.727,200 0.064,201 0.515,202 9.341,203 13.938,204 4.685,205 0.237,206 0.839,207 6.622,208 48.983,209 7.844,210 0.06,211 1.08,212 26.095,213 10.298,214 21.26,215 10.781,216 0.246,217 1.186,218 30.454,219 10.82,220 44.196,221 10.253,222 0.196,223 1.002,224 23.77,225 8.634,226 41.521,227 7.942,228 0.15,229 0.963,230 24.445,231 9.054,232 39.551,233 7.825,234 0.339,235 1.125,236 24.467,237 9.65,238 78.779,239 9.459,240 0.16,241 1.011,242 8.888,243 43.369,244 11.168,245 10,246 37,247 0.273,248 0.464,249 0.586,250 0.747,251 0.794,252 0.802,253 3.267,254 1.111,255 -5.93,256 -5.78,257 -5.38,259 47.6,260 1,268 14,269 2,280 1,287 15,288 3,289 2,294 19,296 8,301 13,303 14,309 5,314 12,317 17,320 6,323 22,326 2,328 22,334 15,335 1008,336 8.612,337 13.36,338 13.36,339 13.36,340 13.36,341 13.36,342 13.987,343 3.808,344 2.699,345 1.99,346 1.054,347 0.78,348 0.732,349 3.947,355 277.938,358 1.293,359 25.118,362 0.75,363 0.83,364 1,365 0.6,367 1,368 0.74,369 52.5,370 233,371 4.883,372 4.731,373 7.312,374 4.317,375 3.4,376 4.761,377 3.37,378 12.531,379 3.09,380 4.181,381 4.565,382 6.154,383 3.757,384 2.826,385 3.716,386 9.094,387 2.647,388 3.856,389 5.322,390 3.398,391 2.439,392 3.418,393 6.887,394 2.389,395 3.829,396 2.559,397 5.148,398 3.385,399 2.391,400 3.388,402 6.318,403 2.303,404 3.304,405 2.226,406 4.766,407 2.773,408 1.816,409 2.6,411 4.901,412 1.724,413 3.051,414 1.8,415 4.306,416 2.559,417 1.57,418 2.251,420 4.106,421 1.547,422 2.88,423 1.688,424 3.602,425 2.404,426 1.431,427 2.041,428 3.049,429 1.377,430 2.577,431 1.343,432 3.477,433 2,434 1.02,435 1.528,436 2.51,437 1,438 2.5,439 1,440 3.414,441 2,442 1,443 1.5,444 2.275,445 1,446 2.5,447 1,448 3.247,449 2,450 1,451 1.5,452 2.136,453 1,454 2.5,455 1,456 3.247,457 1.967,458 1,459 1.5,460 2.136,461 0.952,462 1.301,463 3.108,464 1.119,465 0.469,466 2.658,467 0.732,468 -0.231,469 -0.294,470 -0.517,471 -0.221,472 1,473 0.291,474 2.499,475 0.423,476 -0.557,477 -0.73,479 -1.395,480 -0.539,481 0.836,482 -0.39,483 2,484 0.09,485 -0.863,486 -1.148,488 -0.799,489 12.733,490 0.509,491 0.628,492 0.025,493 37.25,494 1.49,495 23,496 0.92,497 14.25,498 0.57,499 0.67,500 0.597,501 27.202,502 1.088,503 7.297,504 0.292,505 0.19,506 0.092,507 0.065,510 0.352,511 0.781,512 1.025,513 0.678,514 0.846,515 0.438,516 0.986,517 0.77,518 0.881,519 0.522,520 0.916,521 1.205,522 1.082,523 1.146,524 1.058,525 1.454,526 1.163,527 1.35,528 1.231,529 1.379,530 0.943,531 1.784,532 0.897,533 1.288,534 1.616,535 0.705,536 1.863,537 1.193,538 1.709,539 1.452,540 1.7,541 1.051,542 2.163,543 0.894,544 1.19,545 0.955,546 2.208,547 1.049,548 0.922,549 0.949,550 0.769,551 1.007,552 1.132,553 5.5,554 0.074,555 2.889,556 1.5,557 1.244,558 1.125,559 0.491,560 0.323,561 0.179,562 0.125,563 18397,564 2.052,565 40.5,566 3,567 14,573 1.688,574 1.935,575 3.157,576 -0.79,581 1.585,582 2.693,583 4.612,584 4.66,585 2.615,586 4.615,587 3.312,588 993.671,589 8.021,590 12064.1,595 1.429,596 0.204,597 0.008,598 0.078,599 0.042,600 0.038,601 0.031,602 0.012,603 0.009,604 0.007,605 0.008,606 0.437,607 0.33,608 0.88,609 0.553,610 119.247,611 0.193,612 0.191,613 -0.045,614 0.449,615 -0.015,616 0.104,617 0.025,618 0.331,619 -0.037,620 -0.193,621 0.078,622 -0.052,623 0.055,624 -0.083,625 -0.053,626 -0.038,627 0.027,628 -0.023,629 -0.049,630 0.045,631 -0.203,632 0.24,633 0.018,634 0.176,635 -0.089,636 0.226,637 -0.261,638 -0.137,639 -0.391,640 -0.274,641 -0.029,642 -0.169,643 -0.44,644 0.058,645 -0.337,646 -0.069,647 -0.34,648 -0.171,649 -0.115,650 -0.088,651 -0.118,652 -0.083,653 -0.13,654 -0.168,655 5.717,656 0.72,657 19.853,658 0.999,659 1.097,660 4.695,661 22.047,662 0.745,663 3.332,664 3.638,665 3.829,666 4.025,667 4.248,668 4.234,669 4.234,670 4.263,671 4.317,672 4.234,673 5.648,674 0.691,675 3.332,676 4.86,677 5.68,678 6.544,679 7.386,680 8.257,681 9.107,682 9.982,683 10.838,684 11.716,685 2.4,692 1,696 14,700 4,702 18,713 21,714 3,715 27,717 20,718 18,719 4,720 14,721 1,723 3,724 3,727 1,733 19,734 1,735 3,737 1,738 2,741 1,742 1,747 17,748 3,750 5,751 2,753 1,757 1,758 2,763 3,772 3,773 1,774 2,776 1,778 6.085}
{0 CHEMBL1492648,1 4.09,2 -0.125,3 0.09,4 3.742,5 2.95,6 302.3,7 3.644,8 11.164,9 11.502,10 -0.7,11 1.36,12 3.693,13 5.066,14 17.149,15 18.684,16 20.188,17 21.72,18 23.24,19 2.854,20 2.925,21 1.136,22 68.3,23 0.047,24 2.9,25 3.356,26 4.037,27 0.886,28 35.994,29 12.719,31 0.654,32 150.253,33 2.428,34 0.876,35 3.9,36 3.669,37 3.22,38 3.27,39 1.344,40 412.951,41 615.54,42 382,43 3.511,44 3.576,45 4.065,46 4.167,47 4.204,48 4.353,49 3.961,50 3.255,52 1,53 12.306,54 12.306,55 12.306,56 12.306,57 12.306,58 10.659,59 7.014,60 12.911,61 7.822,62 7.344,63 3.369,64 269,65 -0.123,67 -1,68 -1,69 -2.412,70 -3,71 12.895,72 22.643,73 0.965,74 2985,75 60.578,76 3.046,77 140.881,78 4.178,79 0.078,81 29,82 30,83 2,84 1.474,85 150.82,86 2.983,87 75.684,88 30.891,89 33.431,90 5.933,91 -1,92 8.407,93 -2.412,94 10.957,95 -3,96 13.555,97 16.184,98 18.834,99 3145,100 5.51,101 2.98,102 2.715,103 2.08,104 2.091,105 0.342,106 0.203,107 0.162,108 0.182,109 0.141,110 1.523,111 1.515,112 1.692,113 1.703,114 0.97,115 0.879,116 20.443,117 60.578,118 107.107,119 118.617,120 121.372,121 121.372,122 9.177,123 5.428,124 5.156,125 4.252,126 8.86,127 7.287,128 3.243,129 2.021,130 1.561,131 0.218,132 0.729,133 0.876,134 -0.069,135 5.994,137 3.534,138 0.314,139 0.142,140 2,141 2.927,142 1.578,143 0.73,144 1.25,146 96.352,147 0.001,148 5.017,149 8.109,150 2.466,151 7,152 11.118,153 14.126,154 2.089,155 6.7,156 3.416,157 11.669,158 66.789,159 10.424,160 0.571,161 3.515,162 3.121,163 4.782,164 3.11,165 3.878,166 3.405,167 6.095,168 3.443,169 3.788,170 3.444,171 5.896,172 3.459,173 4.104,174 4.269,175 3.707,176 3.387,177 5.565,178 3.397,179 4.088,180 4.205,181 3.382,182 5.687,183 3.421,184 4.219,185 4.329,186 3.279,187 6.444,188 3.361,189 4.173,190 4.38,191 3.288,192 2.965,193 5.866,194 3.018,195 3.641,196 3.88,197 2.346,198 5.216,199 2.346,200 0.223,201 0.671,202 3.696,203 56.037,204 2.451,205 0.91,206 1.328,207 4.994,208 176.744,209 4.196,210 0.791,211 1.041,212 9.267,213 4.84,214 112.605,215 4.554,216 0.685,217 1.059,218 9.108,219 4.945,220 115.307,221 4.082,222 0.571,223 1.205,224 11.811,225 5.692,226 118.88,227 4.358,228 1.226,229 1.176,230 11.09,231 5.795,232 242.866,233 4.248,234 1.274,235 1.013,236 17.985,237 5.857,238 224.885,239 3.753,240 0.709,241 0.477,242 3.386,243 125.374,244 2.895,245 41,246 32,247 0.398,248 0.633,249 0.704,250 0.779,251 0.798,252 0.798,253 3.059,254 1.041,255 -3.85,256 -3.81,257 -3.62,259 41.4,263 1,266 1,268 6,269 1,271 2,274 1,287 6,288 2,289 3,294 7,295 4,296 2,301 5,303 3,309 2,314 6,320 5,326 2,335 440,336 7.607,337 10.387,338 10.387,339 10.387,340 10.387,341 10.387,342 11.506,343 2.769,344 1.535,345 1.165,346 0.768,347 0.673,348 0.673,349 3.703,353 1,355 130.443,358 1.06,359 47.747,362 1,363 1,364 1,365 0.4,367 1,368 0.77,369 47.5,370 134,371 4.824,372 5.181,373 7.186,374 4.264,375 3.404,376 4.682,377 3.825,378 11.982,379 2.964,380 4.438,381 4.459,382 7.052,383 4.065,384 3.23,385 3.941,386 11.446,387 2.69,388 4.129,389 6.136,390 3.762,391 2.793,392 3.534,393 9.046,394 2.649,395 3.469,396 2.557,397 4.905,398 2.94,399 2,400 2.84,402 5.692,403 1.867,404 3.042,405 1.995,406 4.377,407 2.528,408 1.587,409 2.253,411 4.033,412 1.471,413 2.717,414 1.679,415 4.306,416 2.189,417 1.285,418 1.781,420 3.92,421 1.144,422 2.53,423 1.089,424 3.491,425 2.004,426 1.038,427 1.543,428 2.584,429 1,430 2.5,431 1,432 3.247,433 2,434 1,435 1.5,436 2.136,437 0.996,438 1,439 0.672,440 2.861,441 0.481,442 -0.485,443 -0.658,444 -1.26,445 -0.465,446 0.926,447 0.51,448 2.815,449 0.271,450 -0.644,451 -0.859,452 -2.059,453 -0.576,454 0.785,455 0.51,456 2.499,457 0.048,458 -0.907,459 -1,460 -2.347,461 -0.7,462 0.561,463 2,464 0.5,465 -0.412,466 2,468 -1,469 -1.168,470 -3,471 -0.78,472 0.298,473 -0.592,474 2,475 -0.203,476 -1,477 -1.317,479 -3,480 -0.863,482 -1,483 2,484 -0.3,485 -1,486 -1.5,488 -1,489 9.157,490 0.458,491 0.909,492 0.045,493 27.75,494 1.388,495 15,496 0.75,497 12.75,498 0.638,499 0.645,500 0.781,501 22.194,502 1.11,503 5.508,504 0.275,505 0.183,506 0.221,507 0.146,508 3,510 0.52,511 0.748,512 1.225,513 0.668,514 0.92,515 0.442,516 0.787,517 0.912,518 1.185,519 0.444,520 0.953,521 0.65,522 0.711,523 0.695,524 0.917,525 0.974,526 0.965,527 0.865,528 0.815,529 0.895,530 0.878,531 0.743,532 1.095,533 0.799,534 0.913,535 1.016,536 0.935,537 1.346,538 1.002,539 1.22,540 0.826,541 1.171,542 2.082,543 1.334,544 1.654,545 0.939,546 1.966,547 1.097,548 1.649,549 1.048,550 1.386,551 1.61,552 1.143,553 7,555 2.889,556 1.375,557 1.28,558 1.681,559 0.449,560 0.226,561 0.122,563 14571,564 1.888,565 31,567 9,573 1.627,574 1.69,575 2.719,576 -0.59,578 1,579 1,580 1,581 2.089,582 3.322,583 4.185,584 4.185,585 2.121,586 4.296,587 2.885,588 548.244,589 7.386,590 5613.6,592 1,594 1,595 1.846,596 0.333,598 0.09,599 0.046,600 0.047,601 0.056,602 0.015,603 0.015,604 0.02,606 0.624,607 0.5,608 1,609 1.069,610 86.251,611 0.022,612 0.159,613 -0.07,614 0.409,615 0.214,616 0.011,617 -0.139,618 0.41,619 -0.059,620 0.08,621 0.02,622 0.09,623 0.006,624 -0.023,625 -0.192,626 -0.064,627 -0.023,628 0.079,629 -0.148,630 0.066,631 0.087,632 -0.137,633 0.248,634 -0.264,635 -0.076,636 -0.066,637 0.259,638 -0.246,639 -0.053,640 -0.239,641 0.416,642 -0.3,643 -0.628,644 -0.045,645 -0.521,646 0.054,647 -0.526,648 -0.099,649 -0.411,650 -0.096,651 -0.259,652 0.02,653 -0.37,654 -0.018,655 4.767,656 0.6,657 12.8,658 1.065,659 1.153,660 2.618,661 6.853,662 0.696,663 3.091,664 3.497,665 3.611,666 3.784,667 4.111,668 4.174,669 4.174,670 4.06,671 3.807,672 3.611,673 4.451,674 0.705,675 3.091,676 4.673,677 5.493,678 6.399,679 7.255,680 8.157,681 9.028,682 9.929,683 10.806,684 11.706,685 6.9,693 2,696 6,697 2,700 4,702 12,713 14,714 1,715 21,717 12,718 10,719 1,720 5,723 2,724 2,727 1,730 1,733 10,734 2,735 2,737 1,738 2,744 1,745 3,747 9,748 7,750 8,751 1,753 2,757 1,758 2,760 1,763 2,772 2,774 1,776 1,778 6.185}
{0 CHEMBL1505372,1 4.672,2 -0.097,3 0.067,4 2.828,5 0.4,6 278.28,7 2.553,8 8.425,9 12.301,10 -0.57,11 0.888,12 4.349,13 5.107,14 16.178,15 17.659,16 19.044,17 20.506,18 21.92,19 3.099,20 3.2,21 1.056,22 121.68,23 0.033,24 2.886,25 3.191,26 3.847,27 1.07,28 36.108,29 12.092,30 0.4,31 0.956,32 133.145,33 2.658,34 1.068,35 3.491,36 3.237,37 3.235,38 3.319,39 1.49,40 375.381,41 540.8,42 350,43 3.586,44 3.72,45 4.014,46 4.175,47 4.198,48 4.39,49 3.435,50 1.88,51 3,53 13.093,54 13.093,55 13.093,56 13.093,57 13.093,58 11.236,59 7.67,60 13.489,61 7.514,62 38.182,63 3.553,64 296,65 -0.011,66 0.31,67 -0.618,68 -0.793,69 -1.617,70 -3.377,71 10.876,72 22.348,73 1.236,74 3169,75 59.963,76 3.822,77 153.58,78 4.219,79 -0.121,80 1,81 31,82 32,84 1.554,85 97.358,86 3.082,87 84.439,88 32.429,89 35.994,90 4.156,91 -0.618,92 5.948,93 -1.617,94 7.794,95 -3.377,96 9.67,97 11.563,98 13.468,99 3305,100 5.308,101 2.91,102 2.842,103 2.267,104 2.3,105 0.319,106 0.194,107 0.149,108 0.124,109 0.141,110 1.34,111 1.25,112 1.73,113 1.677,114 0.963,115 1.085,116 20.522,117 59.963,118 134.825,119 144.825,120 144.825,121 144.825,122 9.507,123 5.382,124 5.297,125 4.433,126 9.113,127 5.532,128 2.405,129 1.554,130 0.93,131 0.384,132 0.863,133 1.083,134 -0.136,135 2.698,137 4.077,138 0.333,139 0.185,140 4,141 2.859,142 1.634,143 0.651,144 1.421,146 116.825,147 0.047,148 4.663,149 7.625,150 3.072,151 3,152 10.479,153 13.324,154 1.934,155 7.3,156 2.363,157 5.582,158 74.217,159 8.977,160 0.571,161 3.271,162 2.983,163 4.968,164 3.042,165 3.617,166 3.308,167 5.556,168 3.358,169 3.675,170 3.363,171 5.566,172 3.421,173 4.248,174 4.445,175 3.717,176 3.289,177 5.934,178 3.354,179 4.178,180 4.372,181 3.267,182 5.557,183 3.303,184 4.103,185 4.302,186 3.223,187 5.576,188 3.259,189 4.166,190 4.381,191 3.367,192 3.112,193 5.633,194 3.157,195 3.967,196 4.175,197 2.771,198 5.85,199 2.775,200 0.234,201 0.568,202 4.554,203 17.98,204 2.35,205 0.419,206 0.81,207 3.458,208 53.89,209 4.248,210 0.524,211 0.885,212 11.471,213 3.58,214 59.089,215 4.57,216 0.728,217 0.788,218 12.758,219 3.23,220 73.5,221 4.541,222 0.65,223 0.726,224 12.489,225 3.224,226 91.333,227 3.766,228 0.503,229 0.706,230 11.015,231 3.15,232 46.832,233 4.455,234 0.669,235 0.66,236 14.009,237 3.382,238 87.138,239 4.397,240 0.839,241 0.493,242 2.96,243 141.744,244 3.798,245 30,246 29,247 0.363,248 0.708,249 0.817,250 0.878,251 0.878,252 0.878,253 3.058,254 0.79,255 -3.98,256 -3.93,257 -3.73,259 35.5,263 1,268 4,272 2,274 1,282 1,283 1,284 1,285 2,287 2,288 2,290 1,291 4,293 2,294 3,295 2,297 1,298 2,300 1,301 1,302 4,303 2,304 3,305 6,306 3,307 1,308 2,311 1,314 8,315 2,316 4,318 2,320 4,322 2,324 1,326 3,327 2,329 1,335 516,336 21.466,337 10.295,338 10.295,339 10.295,340 10.295,341 10.295,342 10.941,343 3.02,344 1.186,345 0.605,346 0.282,347 0.282,348 0.282,349 3.711,352 1,353 1,355 131.653,358 1,359 33.219,362 1,363 1,364 1,365 0.4,367 1,368 0.77,369 46.5,370 146,371 4.536,372 3.83,373 6.708,374 4.082,375 3.136,376 4.285,377 2.612,378 10.779,379 2.966,380 4.039,381 3.022,382 5.557,383 3.602,384 2.642,385 3.646,386 7.562,387 2.532,388 3.785,389 5.348,390 3.258,391 2.343,392 3.27,393 6.846,394 2.142,395 3.412,396 2.476,397 5.055,398 3.011,399 2.089,400 2.682,402 5.901,403 1.915,404 3.224,405 2.248,406 4.68,407 2.702,408 1.77,409 2.446,411 4.956,412 1.643,413 3.113,414 1.926,415 4.456,416 2.574,417 1.618,418 2.335,420 4.065,421 1.54,422 2.659,423 1.253,424 3.483,425 2.171,426 1.182,427 1.733,428 2.592,429 1.165,430 1.682,431 1,432 3.112,433 1.384,434 0.471,435 0.541,436 0.767,437 0.429,438 1.366,439 0.815,440 2.872,441 1.039,442 0.098,443 0.122,444 0.257,445 0.092,446 1.075,447 0.464,448 2.59,449 0.68,450 -0.238,451 -0.301,452 -0.576,453 -0.218,454 1,455 0.191,456 2.177,457 0.489,458 -0.409,459 -0.514,460 -0.93,461 -0.352,462 0.93,463 2,464 0.749,465 -0.444,466 1.767,468 -1,469 -1.21,470 -2,471 -0.936,472 0.332,473 -0.804,474 1.623,475 -0.059,476 -1,477 -1.718,479 -2.477,480 -1,481 -0.019,482 -1.109,483 1.391,484 -0.356,485 -1.285,486 -1.906,488 -1.197,489 8.852,490 0.443,491 0.579,492 0.029,493 30.25,494 1.513,495 16.5,496 0.825,497 13.75,498 0.688,499 0.544,500 0.721,501 22.323,502 1.116,503 6.27,504 0.313,505 0.162,506 0.209,509 1,510 0.629,511 0.66,512 0.974,513 0.62,514 0.84,515 0.562,516 1.057,517 0.616,518 1.053,519 0.462,520 0.901,521 1.26,522 0.865,523 1.125,524 0.981,525 0.66,526 0.785,527 0.872,528 0.882,529 0.687,530 0.945,531 1.415,532 0.934,533 1.313,534 1.376,535 1.003,536 0.78,537 1.023,538 0.875,539 1.117,540 0.713,541 1.035,542 1.316,543 0.969,544 1.103,545 1.006,546 1.392,547 0.977,548 1.205,549 0.858,550 1.289,551 1.425,552 1.242,553 5,555 1.778,556 2.125,557 1.187,558 0.813,559 0.427,560 0.307,561 0.139,562 0.016,563 13273,564 1.938,565 35.5,567 7,570 4,573 1.625,574 1.765,575 2.868,576 2.125,578 1,580 1,581 1.934,582 3.769,583 4.672,584 4.672,585 2.183,586 4.295,587 3.008,588 571.525,589 7.372,590 5882.92,591 1,592 1,594 1,595 1.559,596 0.238,598 0.061,599 0.071,600 0.041,601 0.035,602 0.018,603 0.015,604 0.012,605 0.008,606 0.499,607 0.33,608 1,609 1.048,610 87.21,611 -0.007,612 -0.002,613 0.062,614 0.156,615 -0.015,616 0.161,617 -0.017,618 0.186,619 0.046,620 -0.192,622 -0.151,623 -0.118,624 -0.05,625 0.283,626 0.156,627 0.047,628 -0.028,629 0.215,630 -0.091,631 -0.432,632 -0.001,633 -0.392,634 0.048,635 -0.347,636 -0.093,637 0.019,638 -0.123,639 0.03,640 -0.154,641 0.056,642 -0.067,643 -0.243,644 -0.146,645 -0.052,646 -0.067,647 -0.221,648 0.008,649 0.237,650 0.115,651 -0.126,652 -0.111,653 0.219,654 -0.257,655 5.11,656 0.6,657 13.18,658 1.046,659 1.161,660 2.748,661 7.553,662 0.65,663 3.091,664 3.401,665 3.611,666 3.871,667 3.989,668 4.06,669 3.97,670 3.932,671 3.807,672 3.807,673 4.713,674 0.662,675 3.091,676 4.615,677 5.442,678 6.319,679 7.165,680 8.049,681 8.901,682 9.789,683 10.644,684 11.533,685 19.4,687 1,688 1,691 1,693 2,694 1,696 4,697 2,700 6,702 12,707 1,708 2,709 1,713 14,714 1,715 21,717 11,718 10,719 2,720 4,723 2,724 2,733 10,734 1,735 2,736 1,738 2,743 1,744 1,745 1,747 11,748 8,749 4,750 9,753 6,757 1,758 2,760 1,763 2,772 2,776 1,778 5.027}
{0 CHEMBL1507679,1 4.991,2 -0.008,3 0.085,4 3.082,5 1.151,6 413.46,7 2.084,8 18.577,9 20.711,10 0.951,11 0.902,12 4.363,13 5.331,14 15.906,15 17.348,16 18.632,17 20.04,18 21.359,19 3.316,20 3.377,21 1.337,22 58.81,23 0.046,24 3.305,25 4.555,26 3.894,27 1.39,28 47.231,29 12.06,30 0.916,31 0.798,32 293.072,33 2.934,34 1.347,35 3.981,36 6.468,37 3.701,38 3.757,39 1.708,40 495.611,41 724.27,42 464,43 4.054,44 4.157,45 4.596,46 4.757,47 4.851,48 5.032,49 3.94,50 4.757,51 3,53 20.275,54 20.275,55 20.275,56 20.275,57 20.275,58 18.031,59 11.906,60 20.709,61 12.924,62 28.454,63 5.628,64 812,65 1.081,66 1.965,67 0.989,68 1.131,69 2.136,70 -0.123,71 24.212,72 33.029,73 1.121,74 12778,75 87.438,76 4.307,77 289.294,78 4.839,79 0.139,80 2,81 51,82 54,83 1,84 2.959,85 277.113,86 4.187,87 137.207,88 52.149,89 57.955,90 2.197,91 0.989,92 2.402,93 2.136,94 2.642,95 -0.123,96 2.902,97 3.177,98 3.463,99 12098,100 5.341,101 3.531,102 3.09,103 2.735,104 2.753,105 0.198,106 0.123,107 0.094,108 0.036,109 0.09,110 1.717,111 1.664,112 1.889,113 1.896,114 1.512,115 1.473,116 33.243,117 87.438,118 222.5,119 254.539,120 260.539,121 260.539,122 14.525,123 9.395,124 9.223,125 7.591,126 13.704,127 9.595,128 5.175,129 3.501,130 2.388,131 0.349,132 0.773,133 0.908,134 -0.139,135 2.477,136 2,137 6.117,138 0.349,139 0.182,140 5,141 3.52,142 1.897,143 1.016,144 1.701,145 1.579,146 180.461,147 -0.03,148 4.718,149 7.657,150 3.625,151 4,152 10.437,153 13.177,154 1.714,155 12.5,156 3.966,157 15.726,158 107.221,159 8.107,160 0.515,161 3.688,162 3.558,163 5.244,164 3.57,165 4.049,166 3.927,167 5.754,168 3.936,169 4.147,170 4.057,171 6.108,172 4.034,173 4.946,174 5.161,175 4.069,176 4.043,177 6.198,178 3.992,179 4.889,180 5.126,181 4.005,182 5.967,183 3.946,184 4.833,185 5.046,186 3.954,187 6.056,188 3.903,189 4.72,190 4.934,191 3.845,192 3.794,193 5.963,194 3.76,195 4.503,196 4.723,197 3.588,198 5.627,199 3.56,200 0.158,201 0.868,202 8.924,203 13.138,204 5.5,205 0.426,206 1.387,207 7.362,208 25.517,209 8.835,210 0.949,211 1.678,212 26.511,213 10.04,214 77.697,215 12.119,216 1.056,217 1.815,218 31.994,219 11.029,220 135.13,221 13.987,222 0.82,223 1.609,224 31.011,225 10.242,226 92.549,227 13.171,228 0.976,229 1.423,230 28.318,231 9.727,232 79.21,233 12.686,234 0.8,235 1.345,236 25.976,237 8.566,238 88,239 10.745,240 0.518,241 0.994,242 6.628,243 52.778,244 8.563,245 17,246 46,247 0.286,248 0.591,249 0.728,250 0.833,251 0.853,252 0.853,253 3.44,254 0.872,255 -4.31,256 -4.24,257 -4.01,259 43.1,263 1,264 4,265 1,268 9,269 1,271 1,276 1,280 1,285 1,287 8,288 1,289 3,294 7,295 4,296 8,301 3,302 3,303 5,310 1,313 3,314 7,317 3,319 1,320 8,323 3,326 6,328 2,330 1,331 8,334 1,335 1494,336 22.293,337 16.244,338 16.244,339 16.244,340 16.244,341 16.244,342 16.981,343 3.958,344 2.134,345 1.31,346 0.681,347 0.564,348 0.564,349 4.134,353 1,354 87.366,355 315.93,358 2.067,359 43.357,362 1,363 1,364 1,365 0.8,366 0.5,367 1,368 0.9,369 67.5,370 375,371 4.341,372 3.712,373 6.531,374 4.06,375 3.097,376 3.989,377 1.2,378 10.237,379 2.984,380 4.309,381 3.423,382 6.391,383 3.904,384 2.969,385 3.876,386 9.641,387 2.83,388 4.144,389 6.332,390 3.859,391 2.885,392 3.577,393 9.501,394 2.734,395 3.757,396 2.817,397 5.498,398 3.436,399 2.462,400 3.042,401 0.293,402 7.305,403 2.395,404 3.432,405 2.592,406 5.105,407 3.128,408 2.161,409 2.608,410 0.172,411 5.977,412 2.084,413 3.232,414 2.406,415 4.915,416 2.787,417 1.879,418 2.481,420 5.363,421 1.678,422 3.012,423 2.173,424 4.841,425 2.736,426 1.803,427 2.142,428 5.104,429 1.678,430 2.895,431 2.033,432 4.047,433 2.506,434 1.526,435 2.039,436 3.587,437 1.491,438 2.825,439 1.652,440 4.029,441 2.454,442 1.491,443 1.905,444 3.51,445 1.429,446 2.5,447 1.646,448 3.669,449 2,450 1,451 1.5,452 2.489,453 1,454 2.371,455 1.263,456 3.479,457 1.981,458 1,459 1.268,460 2.339,461 0.98,462 2.163,463 3.269,464 2.129,465 1,466 3.247,467 1.624,468 0.693,469 0.89,470 1.622,471 0.615,472 1.938,473 0.789,474 3.197,475 1.586,476 0.607,477 0.83,479 1.523,480 0.608,481 1.126,482 0.597,483 2.614,484 0.902,485 -0.052,486 -0.057,488 -0.046,489 13.771,490 0.459,491 0.733,492 0.024,493 38,494 1.267,495 18,496 0.6,497 20,498 0.667,499 0.807,500 0.648,501 30.89,502 1.03,503 8.057,504 0.269,505 0.216,506 0.102,509 2,510 0.605,511 0.659,512 1.14,513 0.509,514 0.975,515 0.848,516 1.014,517 0.822,518 0.981,519 0.588,520 0.898,521 1,522 0.957,523 1.083,524 1.073,525 0.847,526 0.949,527 0.975,528 1.053,529 0.914,530 1.06,531 0.965,532 0.865,533 1.019,534 1.02,535 0.945,536 0.674,537 0.778,538 0.897,539 0.97,540 0.612,541 0.998,542 1.04,543 0.871,544 0.982,545 0.965,546 1.062,547 0.969,548 0.978,549 0.798,550 0.912,551 0.764,552 0.887,553 5.5,554 0.087,555 4,556 2.285,557 1.468,558 1.098,559 0.603,560 0.378,561 0.312,562 0.211,563 39174,564 2.087,565 41.2,567 21,573 1.725,574 1.957,575 3.582,576 -0.726,578 1,581 1.714,582 3.538,583 5.109,584 5.109,585 3.036,586 4.88,587 3.786,588 1647.06,589 8.494,590 23546.5,592 1,594 1,595 1.4,596 0.167,597 0.004,598 0.087,599 0.049,600 0.035,601 0.028,602 0.015,603 0.011,604 0.011,605 0.008,606 0.415,607 0.33,608 1,609 0.551,610 156.019,611 0.023,612 0.061,613 -0.094,614 -0.079,615 -0.072,616 0.019,617 -0.015,618 0.005,619 0.03,620 -0.024,621 -0.033,622 -0.107,623 0.083,624 -0.122,625 0.087,626 -0.065,627 0.011,628 -0.09,629 0.077,630 -0.076,631 -0.104,632 0.039,633 -0.031,634 0.051,635 -0.122,636 0.048,637 0.168,638 -0.003,639 0.067,640 -0.022,641 0.113,642 -0.013,643 -0.031,644 -0.017,645 0.025,646 -0.012,647 -0.035,648 0.006,649 -0.116,650 -0.081,651 0.071,652 0.016,653 -0.048,654 0.088,655 5.903,656 0.767,657 31.907,658 1.023,659 1.136,660 3.078,661 9.475,662 0.664,663 3.526,664 3.85,665 4.127,666 4.344,667 4.511,668 4.554,669 4.615,670 4.718,671 4.828,672 4.883,673 7.44,674 0.652,675 3.526,676 5.069,677 5.922,678 6.792,679 7.658,680 8.532,681 9.401,682 10.277,683 11.149,684 12.026,685 5.9,686 1,690 1,693 1,696 9,697 1,698 1,700 6,702 17,705 1,712 1,713 18,714 2,715 33,717 22,718 15,719 4,720 8,721 1,723 4,724 4,729 1,731 1,733 16,734 6,735 1,738 1,742 1,744 1,745 2,747 21,748 8,750 8,752 1,753 3,757 1,758 3,762 1,763 3,771 1,772 4,776 1,778 5.41}
{0 CHEMBL1522211,1 4.734,2 -0.056,3 0.092,4 4.123,5 1.674,6 309.43,7 2.724,8 16.355,9 15.069,10 -0.505,11 1.138,12 4.434,13 4.464,14 14.702,15 16.129,16 17.32,17 18.71,18 19.949,19 3.213,20 3.254,21 1.143,22 111.55,23 0.049,24 3.459,25 6.664,26 3.854,27 1.107,28 54.136,29 11.089,30 0.98,31 1.224,32 249.627,33 2.745,34 1.062,35 3.357,36 5.385,37 3.452,38 3.525,39 1.64,40 305.031,41 436.02,42 286,43 3.755,44 3.883,45 4.252,46 4.435,47 4.468,48 4.683,49 3.533,50 3.52,51 1,52 4,53 13.93,54 13.93,55 13.93,56 13.93,57 13.93,58 12.806,59 8.604,60 14.236,61 8.341,62 13.439,63 3.974,64 462,65 0.104,66 0.422,67 -0.55,68 -0.738,69 -1.246,70 -2.962,71 16.581,72 24.167,73 1.222,74 4235,75 69.354,76 3.939,77 212.877,78 4.302,79 -0.072,81 40,82 40,83 2,84 2.556,85 188.338,86 3.36,87 88.239,88 40.433,89 45.365,90 3.512,91 -0.55,92 4.543,93 -1.246,94 5.7,95 -2.962,96 6.922,97 8.182,98 9.465,99 4547,100 5.114,101 3.245,102 3.044,103 2.588,104 2.576,105 0.287,106 0.182,107 0.135,108 0.093,109 0.134,110 1.594,111 1.526,112 1.799,113 1.828,114 1.292,115 1.237,116 24.61,117 69.354,118 177.367,119 189.367,120 189.367,121 189.367,122 10.062,123 6.619,124 6.403,125 5.419,126 10.351,127 7.103,128 2.657,129 1.519,130 0.976,131 0.249,132 1.083,133 1.031,134 0.007,135 2.023,136 1,137 7.896,138 0.303,139 0.14,140 6,141 3.285,142 1.862,143 1.019,144 1.624,145 1.876,146 143.103,147 -0.015,148 4.159,149 6.897,150 3.117,152 9.503,153 12.097,154 1.734,155 11.333,156 2.409,157 5.805,158 84.1,159 7.736,160 0.286,161 3.32,162 3.225,163 4.911,164 3.197,165 3.634,166 3.514,167 5.423,168 3.461,169 3.657,170 3.587,171 5.666,172 3.514,173 4.376,174 4.573,175 3.609,176 3.506,177 5.662,178 3.434,179 4.274,180 4.487,181 3.488,182 5.505,183 3.37,184 4.248,185 4.477,186 3.442,187 5.382,188 3.292,189 4.152,190 4.392,191 3.297,192 3.322,193 5.386,194 3.182,195 4.002,196 4.216,197 3.143,198 5.203,199 3.05,200 0.087,201 0.568,202 8.177,203 8.614,204 4.558,205 0.289,206 0.824,207 5.332,208 29.339,209 7.475,210 0.447,211 0.915,212 23.586,213 6.795,214 54.893,215 8.844,216 0.48,217 0.84,218 21.546,219 5.919,220 66.199,221 7.376,222 0.346,223 0.816,224 20.1,225 6.06,226 50.459,227 7.795,228 0.377,229 0.774,230 19.918,231 6.155,232 42.751,233 7.952,234 0.343,235 0.678,236 17.889,237 5.598,238 54.6,239 7.281,240 0.246,241 0.563,242 4.516,243 38.532,244 5.635,245 42,246 26,247 0.314,248 0.648,249 0.803,250 0.857,251 0.857,252 0.857,253 3.101,254 1.015,255 -3.11,256 -3.1,257 -2.98,259 35,260 2,261 2,264 1,268 4,269 1,280 2,281 1,286 1,287 6,289 5,291 2,292 1,293 2,294 4,296 6,298 1,299 1,300 4,301 2,303 3,305 1,307 5,309 2,311 2,312 5,313 1,315 1,316 3,317 3,319 1,320 2,321 1,322 2,323 2,326 4,327 1,328 3,331 3,332 1,333 2,334 4,335 640,336 14.847,337 10.236,338 10.236,339 10.236,340 10.236,341 10.236,342 10.702,343 3.588,344 1.744,345 0.888,346 0.588,347 0.588,348 0.588,349 3.739,352 1,353 1,355 82.159,358 1.968,359 24.155,360 1,361 1,362 1,363 1,364 1,365 1,366 1,367 1,368 1,369 46.5,370 238,371 4.19,372 3.839,373 6.031,374 3.827,375 2.828,376 3.768,377 1.948,378 8.595,379 2.824,380 3.827,381 3.548,382 5.322,383 3.478,384 2.535,385 3.089,386 6.886,387 2.406,388 3.716,389 5.288,390 3.344,391 2.392,392 3.005,393 6.761,394 2.264,395 3.351,396 2.869,397 4.621,398 2.926,399 1.978,400 2.474,401 0.86,402 4.945,403 1.83,404 2.88,405 2.049,406 4.143,407 2.494,408 1.534,409 1.926,411 3.71,412 1.454,413 2.5,414 1.594,415 3.427,416 2.287,417 1.308,418 1.5,420 2.59,421 1.27,422 2.449,423 1.276,424 3.414,425 2,426 1,427 1.442,428 2.275,429 1,430 1.727,431 1.035,432 2.986,433 1.508,434 0.522,435 0.568,436 1.053,437 0.509,438 1.496,439 1,440 2.557,441 1.294,442 0.327,443 0.355,444 0.499,445 0.309,446 1.435,447 0.774,448 2.348,449 1.192,450 0.218,451 0.255,452 0.34,453 0.21,454 1,455 0.619,456 2,457 0.508,458 -0.465,459 -0.557,460 -0.906,461 -0.444,462 0.846,463 1.931,464 0.5,465 -0.173,466 1.573,468 -1,469 -1.256,470 -2.193,471 -0.901,472 0.412,473 -0.643,474 1.375,475 -0.065,476 -1,477 -1.412,479 -2.444,480 -1,481 0.004,482 -0.924,483 1.236,484 -0.172,485 -1.132,486 -1.5,488 -1.105,489 10.033,490 0.478,491 0.438,492 0.021,493 23,494 1.095,495 10.5,496 0.5,497 12.5,498 0.595,499 0.79,500 0.604,501 16.899,502 0.805,503 4.677,504 0.223,505 0.256,506 0.249,510 0.771,511 0.702,512 0.984,513 0.589,514 1.008,515 0.75,516 1.225,517 0.707,518 1.043,519 0.571,520 1.028,521 1.009,522 0.945,523 0.949,524 0.894,525 1.573,526 1.023,527 1.08,528 0.915,529 1.453,530 0.938,531 0.823,532 1.145,533 1.081,534 0.933,535 1.06,536 0.694,537 1.038,538 1.17,539 1.124,540 0.787,541 1.076,542 0.63,543 0.94,544 0.974,545 1,546 0.607,547 0.94,548 1.325,549 1.008,550 1.115,551 1.493,552 0.965,553 4.5,554 0.083,555 2.222,556 1,557 0.742,558 0.521,559 0.366,560 0.243,561 0.177,562 0.076,563 13753,564 1.868,565 47.5,566 6,567 6,570 3,571 2,572 2,573 1.625,574 1.726,575 3.475,576 1.156,577 1,578 1,580 1,581 1.734,582 3.578,583 4.734,584 4.734,585 2.951,586 4.356,587 3.616,588 759.349,589 7.437,590 8626.73,591 1,592 1,594 1,595 1.475,596 0.214,597 0.009,598 0.085,599 0.038,600 0.032,601 0.025,602 0.02,603 0.014,604 0.012,605 0.006,606 0.457,607 0.33,608 1,609 2.508,610 98.286,611 -0.035,612 0.003,613 -0.032,614 0.146,615 -0.159,616 0.105,617 -0.119,618 0.095,619 -0.055,620 -0.039,621 0.033,622 0.007,623 -0.032,624 0.058,625 -0.24,626 -0.014,627 -0.064,628 0.042,629 -0.126,630 -0.021,631 0.047,632 -0.077,633 -0.009,634 -0.074,635 0.039,636 -0.071,637 0.113,638 -0.002,639 -0.087,640 -0.05,641 0.009,642 -0.072,643 0.202,644 0.044,645 0.077,646 0.04,647 0.244,648 0.065,649 -0.195,650 -0.036,651 -0.09,652 -0.027,653 -0.153,654 0.003,655 4.843,656 0.286,657 21.497,658 1.011,659 1.134,660 1.876,661 3.521,662 0.653,663 3.091,664 3.296,665 3.401,666 3.466,667 3.584,668 3.526,669 3.526,670 3.434,671 3.367,672 3.135,673 6.49,674 0.615,675 3.091,676 4.554,677 5.323,678 6.129,679 6.921,680 7.733,681 8.534,682 9.351,683 10.158,684 10.977,685 7.5,690 3,696 4,700 2,702 6,712 1,713 9,714 1,715 21,717 14,718 6,719 2,720 4,721 1,723 1,724 1,726 1,727 2,731 2,733 9,734 5,735 3,738 2,739 1,742 3,743 1,744 1,747 19,748 6,749 3,750 7,751 1,753 3,755 1,756 1,757 1,758 3,763 1,772 1,774 1,776 2,778 5.712}
{0 CHEMBL1566515,1 4.239,2 -0.116,3 0.076,4 2.646,5 0.4,6 300.12,7 2.527,8 2.152,9 11.622,10 -0.621,11 0.855,12 4.056,13 5.08,14 16.149,15 17.623,16 18.996,17 20.449,18 21.85,19 2.901,20 3.006,21 1.065,22 109.65,23 0.043,24 2.834,25 3.229,26 3.874,27 0.77,28 33.466,29 12.079,31 0.998,32 176.129,33 2.573,34 0.744,35 3.511,36 3.195,37 3.101,38 3.195,39 1.324,40 380.59,41 546,42 354,43 3.432,44 3.534,45 3.835,46 3.941,47 4.037,48 4.171,49 3.375,50 1.609,51 4,53 12.223,54 12.223,55 12.223,56 12.223,57 12.223,58 10.314,59 7.156,60 12.758,61 7.091,62 25.688,63 3.383,64 262,65 -0.03,67 -0.779,68 -0.947,69 -1.974,70 -3.813,71 11.109,72 20.305,73 1.223,74 2796,75 53.731,76 3.537,77 122.211,78 4.14,79 -0.21,80 2,81 26,82 27,84 1.255,85 47.084,86 2.996,87 72.711,88 27.578,89 29.629,90 4.155,91 -0.779,92 5.948,93 -1.974,94 7.794,95 -3.813,96 9.67,97 11.563,98 13.468,99 2912,100 5.276,101 2.895,102 2.815,103 1.71,104 1.733,105 0.335,106 0.203,107 0.155,108 0.131,109 0.147,110 1.096,111 1.054,112 1.624,113 1.496,114 0.93,115 1,116 19.245,117 53.731,118 105.457,119 110.211,120 110.211,121 110.211,122 8.969,123 4.909,124 4.78,125 3.948,126 9.547,127 5.707,128 2.595,129 1.953,130 0.967,131 0.374,132 0.821,133 1.889,134 -0.006,135 2.663,137 4.042,138 0.328,139 0.188,140 3,141 2.879,142 1.212,143 0.19,144 1.304,146 92.702,147 0.091,148 4.663,149 7.614,150 3.603,151 2,152 10.467,153 13.306,154 2.067,155 6.789,156 3.156,157 9.962,158 73.502,159 11.543,160 0.6,161 3.331,162 2.959,163 4.845,164 2.995,165 3.731,166 3.32,167 5.431,168 3.339,169 3.776,170 3.401,171 5.415,172 3.398,173 4.083,174 4.242,175 3.962,176 3.272,177 5.84,178 3.292,179 3.959,180 4.127,181 3.149,182 5.376,183 3.141,184 3.707,185 3.838,186 3.04,187 5.241,188 3.061,189 3.712,190 3.847,191 3.538,192 2.959,193 5.241,194 2.965,195 3.471,196 3.587,197 2.56,198 5.49,199 2.585,200 0.22,201 0.418,202 1.06,203 18.147,204 1.281,205 0.378,206 0.583,207 2.862,208 51.553,209 2.574,210 0.484,211 0.641,212 8.946,213 3.755,214 46.055,215 3.228,216 0.632,217 0.59,218 10.944,219 3.629,220 62.683,221 3.664,222 0.628,223 0.492,224 13.452,225 3.699,226 81.635,227 2.713,228 0.385,229 0.42,230 4.719,231 2.731,232 42.109,233 2.429,234 0.457,235 0.34,236 5.207,237 2.736,238 63.09,239 1.974,240 0.512,241 0.169,242 2.563,243 62.995,244 2.202,245 27,246 28,247 0.403,248 0.695,249 0.791,250 0.826,251 0.826,252 0.826,253 3.011,254 0.856,255 -4.46,256 -4.39,257 -4.14,259 38.5,268 3,272 2,273 1,282 1,283 1,284 1,285 2,288 2,290 1,291 2,293 2,294 7,295 2,297 1,298 2,302 4,303 2,304 3,305 6,306 1,307 3,308 1,309 3,314 9,316 2,318 2,320 3,326 9,327 3,329 3,335 408,336 16.716,337 9.868,338 9.868,339 9.868,340 9.868,341 9.868,342 10.808,343 2.634,344 1.135,345 0.644,346 0.462,347 0.462,348 0.462,349 3.66,351 2,353 1,355 123.484,358 1.003,359 28.656,362 1,363 1,364 1,365 0.4,367 1,368 0.77,369 43.167,370 129,371 4.505,372 3.828,373 6.69,374 4.052,375 3.102,376 4.241,377 2.612,378 10.684,379 2.944,380 4.155,381 3.159,382 5.688,383 3.68,384 2.754,385 3.805,386 7.978,387 2.527,388 3.587,389 5.13,390 3.043,391 2.136,392 3.018,393 6.14,394 1.896,395 3.402,396 2.623,397 4.739,398 2.848,399 1.909,400 2.68,402 4.986,403 1.786,404 3.232,405 2.382,406 4.643,407 2.707,408 1.879,409 2.481,411 4.963,412 1.558,413 3.111,414 1.888,415 4.618,416 2.644,417 1.716,418 2.341,420 4.668,421 1.441,422 2.71,423 1.348,424 3.587,425 2.086,426 1.152,427 1.768,428 2.554,429 1.073,430 1.405,431 1,432 3.028,433 1.045,434 0.102,435 0.128,436 0.289,437 0.096,438 1.086,439 0.495,440 2.382,441 0.663,442 -0.254,443 -0.323,444 -0.59,445 -0.229,446 1,447 0.262,448 2.359,449 0.473,450 -0.347,451 -0.445,452 -0.891,453 -0.231,454 1,455 0.173,456 2.346,457 0.394,458 -0.475,459 -0.594,460 -1.184,461 -0.295,462 0.882,463 2,464 0.469,465 -0.5,466 1.607,467 -0.012,468 -1,469 -1.627,470 -2,471 -1,472 0.045,473 -1.061,474 1.403,475 -0.417,476 -1.251,477 -1.946,479 -3.305,480 -1.106,481 -0.123,482 -1.235,483 1.249,484 -0.544,485 -1.441,486 -2,488 -1.212,489 9.095,490 0.479,491 0.617,492 0.032,493 29,494 1.526,495 16,496 0.842,497 13,498 0.684,499 0.585,500 0.781,501 19.768,502 1.04,503 5.775,504 0.304,505 0.168,506 0.274,510 0.628,511 0.495,512 0.604,513 0.665,514 0.625,515 0.616,516 1.128,517 0.583,518 0.78,519 0.436,520 0.798,521 1.163,522 1.187,523 1.183,524 1.183,525 0.477,526 0.835,527 0.567,528 0.794,529 0.584,530 0.913,531 1.668,532 0.76,533 1.29,534 1.664,535 1.002,536 1.008,537 1.238,538 0.695,539 0.997,540 1.035,541 0.932,542 1.491,543 1.082,544 1.038,545 0.911,546 1.742,547 0.953,548 0.709,549 0.906,550 1.636,551 0.802,552 1.281,553 5,555 1.778,556 2.25,557 0.987,558 0.583,559 0.345,560 0.37,561 0.102,563 14260,564 1.935,565 26.9,567 3,569 1,570 3,573 1.607,574 1.754,575 2.799,576 1.355,580 1,581 2.067,582 3.565,583 4.239,584 4.239,585 2.076,586 4.225,587 2.952,588 504.765,589 7.215,590 5036.07,591 1,592 1,594 1,595 1.568,596 0.25,598 0.063,599 0.08,600 0.037,601 0.031,602 0.017,603 0.022,604 0.009,606 0.509,607 0.33,608 1,609 0.954,610 81.334,611 0.007,612 -0.02,613 0.162,614 0.108,615 0.006,616 0.034,617 0.06,618 0.233,619 0.009,620 -0.113,621 -0.29,622 -0.279,623 -0.18,624 -0.304,625 0.501,626 0.154,627 0.302,628 0.107,629 0.4,630 0.021,631 -0.597,632 0.125,633 -0.339,634 0.14,635 -0.471,636 0.036,637 -0.092,638 -0.268,639 0.109,640 -0.059,641 -0.062,642 0.032,643 -0.368,644 -0.202,645 0.017,646 0.1,647 -0.478,648 0.03,649 0.734,650 -0.248,651 0.275,652 -0.635,653 0.648,654 -0.125,655 3.92,656 0.632,657 11.186,658 1.061,659 1.14,660 3.23,661 10.432,662 0.738,663 3.045,664 3.367,665 3.555,666 3.829,667 3.871,668 3.892,669 3.784,670 3.912,671 3.714,672 3.761,673 4.596,674 0.74,675 3.045,676 4.575,677 5.398,678 6.279,679 7.116,680 8,681 8.842,682 9.727,683 10.571,684 11.457,685 19.2,687 1,691 1,693 2,694 1,696 4,697 2,700 6,702 12,707 1,708 1,709 1,713 14,714 1,715 20,717 10,718 10,719 3,720 3,723 2,724 2,725 2,733 10,735 2,736 1,738 2,744 1,747 7,748 6,749 3,750 9,751 2,753 5,757 1,758 2,760 1,763 2,772 2,777 2,778 4.117}
{0 CHEMBL1578641,1 4.488,2 0.014,3 0.096,4 3.24,5 1.2,6 420.29,7 2.863,8 14.999,9 29.762,10 0.424,11 0.83,12 4.041,13 5.192,14 16.048,15 17.504,16 18.845,17 20.279,18 21.653,19 3.266,20 3.311,21 1.302,22 78.6,23 0.051,24 3.104,25 4.255,26 3.908,27 1.302,28 44.494,29 12.077,30 0.86,31 0.834,32 298.772,33 2.961,34 1.326,35 3.98,36 5.662,37 3.505,38 3.523,39 1.686,40 434.135,41 627.85,42 405,43 3.898,44 4,45 4.432,46 4.589,47 4.669,48 4.849,49 3.976,50 3.896,51 4,53 17.37,54 17.37,55 17.37,56 17.37,57 17.37,58 15.523,59 10.059,60 17.965,61 10.836,62 29.41,63 4.648,64 626,65 1,66 1.365,67 0.493,68 0.549,69 0.79,70 -1.658,71 20.951,72 27.933,73 1.36,74 7818,75 77.343,76 4.133,77 240.215,78 4.615,79 -0.071,80 1,81 44,82 46,83 1,84 2.527,85 211.88,86 3.726,87 112.211,88 44.913,89 49.496,90 4.231,91 0.493,92 5.963,93 0.79,94 7.797,95 -1.658,96 9.67,97 11.563,98 13.468,99 7703,100 5.47,101 3.161,102 3.077,103 2.735,104 2.715,105 0.238,106 0.146,107 0.111,108 0.093,109 0.107,110 1.677,111 1.616,112 1.876,113 1.877,114 1.208,115 1.272,116 29.163,117 77.343,118 177.809,119 197.46,120 205.46,121 205.46,122 12.49,123 8.008,124 7.791,125 6.413,126 13.068,127 8.909,128 4.907,129 3.234,130 2.368,131 0.326,132 0.59,133 1.325,134 -0.167,135 2.406,136 1,137 5.914,138 0.346,139 0.177,140 4,141 3.095,142 1.861,143 1.032,144 1.601,145 2.098,146 148.858,147 -0.039,148 4.758,149 7.692,150 3.707,151 4,152 10.486,153 13.264,154 1.758,155 11.423,156 3.5,157 12.249,158 102.391,159 9.552,160 0.429,161 3.675,162 3.431,163 5.08,164 3.42,165 4.074,166 3.821,167 5.673,168 3.795,169 4.17,170 3.998,171 5.784,172 3.941,173 4.77,174 4.95,175 4.048,176 3.975,177 5.975,178 3.911,179 4.794,180 5.005,181 3.922,182 5.993,183 3.848,184 4.755,185 4.985,186 3.803,187 5.885,188 3.716,189 4.581,190 4.818,191 3.739,192 3.572,193 5.722,194 3.482,195 4.141,196 4.314,197 3.449,198 5.303,199 3.343,200 0.164,201 0.634,202 5.707,203 7.625,204 4.628,205 0.45,206 1.013,207 6.447,208 47.535,209 7.64,210 0.443,211 1.247,212 27.544,213 9.022,214 32.384,215 10.7,216 0.661,217 1.282,218 29.6,219 9.769,220 69.103,221 11.535,222 0.823,223 1.281,224 26.221,225 9.679,226 90.407,227 12.236,228 0.706,229 1.198,230 31.11,231 9.309,232 89.272,233 11.642,234 0.829,235 0.931,236 27.877,237 7.735,238 98.524,239 9.064,240 0.399,241 0.641,242 6.343,243 29.363,244 6.832,245 30,246 39,247 0.304,248 0.585,249 0.699,250 0.776,251 0.808,252 0.808,253 3.304,254 0.955,255 -4.22,256 -4.16,257 -3.93,258 1,259 40.9,263 1,264 4,268 7,269 1,280 1,285 2,287 5,288 2,289 6,294 7,295 2,296 10,301 5,302 3,303 7,309 1,310 4,313 1,314 6,319 2,320 3,323 1,325 2,326 3,328 4,330 2,331 5,334 6,335 952,336 22.593,337 13.694,338 13.694,339 13.694,340 13.694,341 13.694,342 14.592,343 3.702,344 2.076,345 1.418,346 0.972,347 0.79,348 0.79,349 3.982,353 1,355 275.779,358 1.775,359 33.014,362 1,363 1,364 1,365 0.8,366 0.5,367 1,368 0.9,369 57.25,370 297,371 4.47,372 3.816,373 6.652,374 4.075,375 3.118,376 4.173,377 2.612,378 10.654,379 2.983,380 4.257,381 3.695,382 6.39,383 3.942,384 2.961,385 3.787,386 9.665,387 2.903,388 3.787,389 5.631,390 3.438,391 2.506,392 3.186,393 7.403,394 2.33,395 3.72,396 2.876,397 5.291,398 3.265,399 2.356,400 3.114,401 0.8,402 6.612,403 2.135,404 3.644,405 2.782,406 5.215,407 3.179,408 2.242,409 2.897,410 0.293,411 6.322,412 2.073,413 3.215,414 2.339,415 4.923,416 2.859,417 1.942,418 2.359,420 5.61,421 1.698,422 2.786,423 1.959,424 4.349,425 2.382,426 1.425,427 1.804,428 3.848,429 1.339,430 2.597,431 1.827,432 3.668,433 2,434 1,435 1.589,436 2.425,437 1,438 2.5,439 1.259,440 3.597,441 2,442 1,443 1.5,444 2.275,445 1,446 2.291,447 1.146,448 3.414,449 1.967,450 1,451 1.121,452 2.275,453 0.965,454 2,455 1.039,456 3.414,457 1.863,458 0.861,459 1,460 2.155,461 0.825,462 1.645,463 2.903,464 1.114,465 1,466 2.558,467 0.714,468 -0.198,469 -0.23,470 -0.426,471 -0.129,472 1,473 0.432,474 2.311,475 0.575,476 -0.313,477 -0.398,479 -0.665,480 -0.258,481 0.991,482 0.137,483 2.159,484 0.27,485 -0.716,486 -0.852,488 -0.691,489 12.867,490 0.495,491 0.682,492 0.026,493 34.5,494 1.327,495 17.5,496 0.673,497 17,498 0.654,499 0.806,500 0.635,501 25.463,502 0.979,503 6.828,504 0.263,505 0.218,506 0.22,510 0.524,511 0.487,512 0.918,513 0.479,514 0.918,515 0.828,516 1.043,517 0.579,518 0.729,519 0.44,520 0.794,521 1.044,522 0.902,523 0.997,524 0.996,525 1.039,526 1.181,527 0.751,528 1.064,529 1.212,530 1.147,531 0.864,532 1.033,533 0.37,534 1.114,535 0.999,536 1.042,537 1.036,538 0.506,539 0.936,540 1.238,541 1.04,542 1.51,543 0.666,544 0.605,545 0.561,546 1.602,547 0.765,548 1.079,549 0.907,550 2.096,551 0.84,552 1.133,553 5.5,554 0.14,555 3.556,556 1.938,557 1.618,558 1.049,559 0.564,560 0.385,561 0.251,562 0.178,563 28063,564 2.014,565 40.9,567 18,573 1.688,574 1.857,575 3.448,576 -0.684,578 1,581 1.758,582 3.383,583 4.67,584 4.67,585 2.884,586 4.67,587 3.6,588 1169.95,589 8.081,590 14666.7,592 1,594 1,595 1.502,596 0.196,597 0.008,598 0.091,599 0.046,600 0.043,601 0.03,602 0.02,603 0.018,604 0.012,605 0.009,606 0.473,607 0.33,608 1,609 0.923,610 127.859,611 0.131,612 0.01,613 -0.054,614 0.001,615 0.085,616 0.025,617 0.134,618 0.163,619 0.102,620 0.033,621 -0.058,622 -0.06,623 0.03,624 -0.046,625 -0.067,626 -0.178,627 -0.088,628 -0.177,629 -0.118,630 -0.211,631 0.096,632 -0.063,633 0.027,634 -0.02,635 -0.033,636 -0.053,637 -0.066,638 -0.095,639 0.058,640 -0.088,641 -0.119,642 -0.071,643 -0.234,644 0.227,645 0.045,646 0.297,647 -0.247,648 0.19,649 -0.073,650 0.044,651 -0.228,652 -0.083,653 -0.039,654 -0.09,655 5.58,656 0.692,657 24.355,658 1.021,659 1.125,660 2.988,661 8.931,662 0.688,663 3.367,664 3.689,665 3.951,666 4.159,667 4.407,668 4.431,669 4.511,670 4.533,671 4.595,672 4.673,673 6.512,674 0.663,675 3.367,676 4.905,677 5.753,678 6.624,679 7.491,680 8.366,681 9.238,682 10.115,683 10.99,684 11.868,685 6.8,689 1,690 1,694 1,696 7,700 5,702 12,705 1,709 1,710 1,712 1,713 15,714 2,715 28,716 1,717 18,718 12,719 5,720 7,721 1,723 3,724 3,733 13,734 5,735 3,736 1,738 3,742 1,744 1,747 18,748 6,750 8,751 1,753 3,757 1,758 4,763 3,772 3,775 1,776 1,778 5.415}
{0 CHEMBL1579890,1 4.278,2 -0.048,3 0.089,4 3.317,5 0.655,6 278.76,7 2.32,8 13.104,9 16.115,10 -0.699,11 0.68,12 4.043,13 5.08,14 16.465,15 17.992,16 19.448,17 20.957,18 22.434,19 3.169,20 3.189,21 1.201,22 42.43,23 0.046,24 2.81,25 3.1,26 3.995,27 0.889,28 33.543,29 12.174,30 0.13,31 1.138,32 251.86,33 2.781,34 0.861,35 3.378,36 4.357,37 3.306,38 3.407,39 1.567,40 307.179,41 450.55,42 289,43 3.616,44 3.722,45 4.132,46 4.306,47 4.325,48 4.522,49 3.417,50 3.048,51 2,53 12.809,54 12.809,55 12.809,56 12.809,57 12.809,58 11.367,59 7.487,60 13.293,61 7.517,62 11.756,63 3.341,64 300,65 -0.352,66 0.254,67 -0.728,68 -1.057,69 -1.968,70 -3.791,71 14.002,72 20.819,73 1.475,74 2846,75 57.067,76 3.537,77 172.974,78 4.159,79 -0.119,80 1,81 34,82 35,83 1,84 2.291,85 176.567,86 3.039,87 76.711,88 34.367,89 38.266,90 3.527,91 -0.728,92 4.955,93 -1.968,94 6.458,95 -3.791,96 7.994,97 9.549,98 11.116,99 2977,100 5.39,101 3.089,102 2.934,103 2.225,104 2.228,105 0.326,106 0.202,107 0.154,108 0.11,109 0.148,110 1.438,111 1.407,112 1.584,113 1.638,114 1.256,115 1.145,116 21.988,117 57.067,118 137.464,119 145.464,120 145.464,121 145.464,122 9.151,123 6.107,124 5.892,125 4.925,126 9.44,127 6.541,128 3.119,129 1.991,130 1.121,131 0.316,132 0.828,133 1.211,134 -0.298,135 2.021,136 1,137 4.482,138 0.348,139 0.182,140 4,141 3.123,142 1.725,143 0.869,144 1.577,145 1.231,146 116.145,147 -0.054,148 4.46,149 7.532,150 2.999,151 2,152 10.513,153 13.487,154 1.678,155 7.789,156 3.348,157 11.208,158 73.883,159 8.199,160 0.55,161 3.26,162 3.154,163 4.751,164 3.134,165 3.622,166 3.493,167 5.295,168 3.452,169 3.695,170 3.598,171 5.404,172 3.555,173 4.33,174 4.482,175 3.637,176 3.515,177 5.607,178 3.483,179 4.326,180 4.534,181 3.41,182 5.49,183 3.344,184 4.079,185 4.291,186 3.32,187 5.257,188 3.233,189 4.019,190 4.222,191 3.092,192 3.332,193 4.999,194 3.194,195 4.115,196 4.384,197 3.239,198 5.081,199 3.037,200 0.034,201 0.466,202 6.063,203 4.787,204 3.83,205 0.32,206 0.72,207 4.821,208 22.988,209 6.412,210 0.26,211 0.81,212 19.071,213 6.052,214 25.076,215 7.738,216 0.412,217 0.748,218 17.995,219 5.965,220 45.365,221 6.898,222 0.46,223 0.717,224 19.28,225 5.945,226 55.656,227 7.069,228 0.319,229 0.623,230 15.572,231 5.046,232 34.042,233 6.622,234 0.14,235 0.619,236 12.599,237 4.984,238 19.412,239 6.652,240 0.256,241 0.642,242 5.38,243 31.225,244 7.739,245 24,246 27,247 0.312,248 0.636,249 0.752,250 0.796,251 0.796,252 0.796,253 3.01,254 0.981,255 -3.7,256 -3.67,257 -3.49,259 41.2,260 2,264 2,268 4,269 1,270 1,271 1,281 1,287 2,288 3,289 7,294 6,296 2,301 3,302 1,303 12,309 4,313 2,314 5,317 5,323 2,326 4,328 4,335 425,336 12.144,337 9.714,338 9.714,339 9.714,340 9.714,341 9.714,342 10.443,343 3.409,344 1.671,345 1.044,346 0.809,347 0.809,348 0.809,349 3.665,351 1,352 1,353 1,355 92.234,357 79.23,358 1.191,359 19.737,361 1,362 1,363 1,364 1,365 0.8,366 0.5,367 1,368 0.9,369 41.333,370 148,371 4.522,372 3.79,373 6.53,374 4.037,375 3.073,376 4.46,377 2.208,378 10.3,379 2.96,380 3.948,381 3.151,382 6.002,383 3.669,384 2.737,385 3.242,386 8.437,387 2.53,388 3.667,389 5.312,390 3.205,391 2.304,392 3.006,393 6.664,394 2.042,395 3.274,396 2.304,397 4.818,398 2.781,399 1.875,400 2.596,402 5.299,403 1.658,404 2.988,405 2.093,406 4.261,407 2.488,408 1.529,409 2.209,411 3.888,412 1.44,413 2.664,414 1.554,415 3.965,416 2.328,417 1.355,418 1.636,420 3.197,421 1.297,422 2.371,423 1.121,424 3.373,425 1.873,426 0.905,427 1.29,428 2.094,429 0.864,430 1.618,431 0.744,432 2.727,433 1.591,434 0.618,435 0.618,436 0.791,437 0.6,438 1.316,439 0.661,440 2.618,441 0.888,442 -0.037,443 -0.044,444 -0.079,445 -0.033,446 1.151,447 0.285,448 2.446,449 0.634,450 -0.238,451 -0.313,452 -0.532,453 -0.168,454 0.798,455 -0.001,456 2.273,457 0.62,458 -0.373,459 -0.427,460 -0.587,461 -0.369,462 0.733,463 2.121,464 0.426,465 -0.736,466 1.66,467 -0.062,468 -1,469 -1.364,470 -2.476,471 -0.825,472 0.146,473 -0.92,474 1.521,475 -0.399,476 -1.216,477 -1.618,479 -3.292,480 -1.094,481 -0.236,482 -1.199,483 1.115,484 -0.609,485 -1.553,486 -1.671,488 -1.475,489 9.181,490 0.483,491 0.435,492 0.023,493 24.25,494 1.276,495 12,496 0.632,497 12.25,498 0.645,499 0.737,500 0.612,501 16.062,502 0.845,503 4.795,504 0.252,505 0.229,506 0.223,510 0.703,511 0.6,512 1.092,513 0.579,514 0.979,515 0.615,516 1.018,517 0.63,518 0.792,519 0.468,520 0.803,521 0.922,522 0.884,523 0.854,524 0.778,525 1.71,526 1.128,527 1.005,528 1.095,529 1.677,530 1.077,531 1.858,532 0.828,533 0.874,534 2.07,535 0.802,536 0.708,537 0.897,538 0.831,539 0.95,540 1.045,541 0.928,542 0.669,543 1.251,544 0.971,545 1.234,546 0.931,547 1.3,548 0.258,549 1.147,550 0.785,551 0.332,552 1.26,553 4,555 2.444,556 1.375,557 0.987,558 0.569,559 0.366,560 0.236,561 0.156,562 0.071,563 9020,564 1.965,565 44.1,567 8,569 1,572 6,573 1.606,574 1.81,575 2.978,576 -0.724,578 1,580 1,581 1.678,582 3.416,583 4.278,584 4.278,585 2.465,586 4.22,587 3.086,588 527.683,589 7.202,590 5156.31,591 1,592 1,593 1,594 1,595 1.509,596 0.2,598 0.091,599 0.047,600 0.039,601 0.028,602 0.019,603 0.016,604 0.016,605 0.018,606 0.474,607 0.67,608 1,609 1.709,610 81.759,611 -0.022,612 0.027,613 -0.131,614 0.266,615 0.097,616 0.13,617 0.129,618 0.195,619 0.116,620 0.11,621 0.05,622 0.095,623 -0.017,624 0.163,625 -0.19,626 -0.16,627 -0.136,628 -0.16,629 -0.137,630 -0.19,631 -0.359,632 0.076,633 -0.027,634 0.238,635 -0.313,636 0.111,637 0.202,638 0.089,639 0.097,640 0.015,641 0.14,642 0.045,643 -0.074,644 -0.239,645 -0.197,646 -0.26,647 -0.133,648 -0.309,649 0.239,650 -0.199,651 0.037,652 -0.26,653 0.176,654 -0.237,655 4.943,656 0.526,657 12.072,658 1.011,659 1.125,660 2.474,661 6.121,662 0.68,663 3.045,664 3.332,665 3.584,666 3.784,667 3.951,668 3.989,669 3.989,670 4.043,671 3.97,672 3.689,673 4.758,674 0.647,675 3.045,676 4.554,677 5.389,678 6.252,679 7.106,680 7.976,681 8.837,682 9.711,683 10.575,684 11.452,685 5.9,690 1,693 1,695 2,696 5,697 1,700 2,702 11,711 1,713 12,714 1,715 20,717 14,718 9,719 3,720 3,723 2,724 3,725 1,727 2,733 10,734 4,735 1,738 1,742 1,743 1,744 1,747 15,748 4,750 5,751 1,753 2,757 0.5,758 2,759 1,763 2,765 1,772 1,776 2,777 1,778 5.142}
{0 CHEMBL1581146,1 5.259,2 -0.025,3 0.087,4 3.937,5 1.631,6 548.42,7 2.853,8 17.123,9 35.39,10 1.17,11 0.796,12 4.534,13 5.756,14 16.855,15 18.367,16 19.804,17 21.304,18 22.771,19 3.55,20 3.565,21 1.277,22 92.95,23 0.047,24 3.632,25 5.44,26 4.043,27 1.5,28 54.648,29 12.664,30 1.2,31 0.829,32 354.906,33 3.325,34 1.508,35 4.296,36 7.791,37 3.794,38 3.83,39 1.739,40 599.937,41 882.61,42 565,43 4.181,44 4.268,45 4.713,46 4.846,47 4.96,48 5.13,49 4.395,50 5.113,51 1,52 10,53 24.499,54 24.499,55 24.499,56 24.499,57 24.499,58 21.616,59 14.415,60 24.99,61 15.236,62 16.349,63 6.831,64 1131,65 1.611,66 2.188,67 1.209,68 1.635,69 2.931,70 2.017,71 31.188,72 36.9,73 1.294,74 21763,75 96.909,76 4.76,77 339.763,78 5.109,79 0.083,80 1,81 58,82 62,83 3,84 3.448,85 258.964,86 4.698,87 182.117,88 59.007,89 64.536,90 3.819,91 1.209,92 5.001,93 2.931,94 6.287,95 2.017,96 7.633,97 9.015,98 10.422,99 20173,100 5.605,101 3.613,102 3.403,103 2.941,104 2.91,105 0.168,106 0.104,107 0.079,108 0.052,109 0.078,110 1.786,111 1.728,112 1.918,113 1.938,114 1.5,115 1.536,116 39.931,117 96.909,118 262.954,119 305.008,120 317.763,121 317.763,122 17.491,123 11.299,124 11.065,125 9.064,126 18.069,127 12.221,128 6.528,129 4.551,130 3.023,131 0.328,132 0.818,133 1.036,134 -0.218,135 2.259,136 2,137 7.282,138 0.347,139 0.185,140 6,141 3.593,142 1.945,143 1.067,144 1.696,145 1.088,146 208.715,147 -0.022,148 5.056,149 8.104,150 4.429,151 10,152 11.02,153 13.928,154 1.671,155 14.25,156 4.323,157 18.684,158 134.629,159 9.456,160 0.55,161 3.954,162 3.768,163 5.352,164 3.765,165 4.362,166 4.156,167 5.9,168 4.138,169 4.434,170 4.295,171 6.147,172 4.244,173 4.996,174 5.158,175 4.404,176 4.251,177 6.231,178 4.215,179 5.01,180 5.182,181 4.2,182 6.315,183 4.167,184 4.91,185 5.082,186 4.192,187 6.052,188 4.132,189 4.89,190 5.067,191 4.343,192 4.144,193 6.164,194 4.086,195 4.812,196 4.982,197 4.059,198 6.137,199 4.002,200 0.096,201 0.784,202 7.08,203 10.756,204 5.66,205 0.496,206 1.326,207 8.472,208 32.615,209 9.406,210 0.776,211 1.641,212 34.002,213 11.874,214 68.001,215 13.571,216 0.65,217 1.613,218 31.623,219 12.393,220 99.242,221 13.204,222 1.117,223 1.58,224 37.128,225 12.334,226 133.14,227 13.148,228 0.662,229 1.461,230 31.042,231 11.922,232 58.237,233 13.283,234 0.663,235 1.438,236 28.364,237 11.507,238 103.153,239 12.769,240 0.868,241 1.313,242 10.962,243 93.3,244 11.878,245 17,246 56,247 0.267,248 0.576,249 0.726,250 0.842,251 0.877,252 0.877,253 3.615,254 0.917,255 -4.04,256 -3.99,257 -3.78,258 1,259 46.6,264 5,268 11,269 3,271 2,275 1,276 1,280 3,287 11,288 3,289 8,294 13,295 5,296 11,301 12,303 6,309 9,310 6,313 2,314 11,317 9,319 1,320 5,323 8,325 5,326 12,328 5,330 1,331 10,334 2,335 2544,336 16.074,337 19.726,338 19.726,339 19.726,340 19.726,341 19.726,342 20.51,343 4.187,344 2.259,345 1.324,346 0.599,347 0.379,348 0.379,349 4.32,354 115.821,355 440.647,357 177.511,358 2.139,359 46.495,362 0.75,363 0.83,364 0.83,365 0.5,366 0.5,367 0.83,368 0.75,369 78.25,370 513,371 4.605,372 3.784,373 6.704,374 4.161,375 3.175,376 4.526,377 2.082,378 10.887,379 3.129,380 4.25,381 3.693,382 6.395,383 3.968,384 2.991,385 3.784,386 9.682,387 2.925,388 4.156,389 6.119,390 3.755,391 2.782,392 3.74,393 8.979,394 2.705,395 3.955,396 3.045,397 6.017,398 3.713,399 2.744,400 3.239,401 0.616,402 8.534,403 2.643,404 3.794,405 2.875,406 5.662,407 3.383,408 2.408,409 3.094,410 0.293,411 7.402,412 2.34,413 3.599,414 2.547,415 5.241,416 3.18,417 2.213,418 3.015,419 0.106,420 6.366,421 2.132,422 3.5,423 2.512,424 5.05,425 3.104,426 2.21,427 2.731,428 6.077,429 1.908,430 3.044,431 2.213,432 4.559,433 2.628,434 1.665,435 2.257,436 4.512,437 1.595,438 2.999,439 1.975,440 4.321,441 2.496,442 1.534,443 2.175,444 4.051,445 1.463,446 2.867,447 1.862,448 4.187,449 2.464,450 1.457,451 1.95,452 3.676,453 1.439,454 2.805,455 1.701,456 3.833,457 2.295,458 1.326,459 1.89,460 2.971,461 1.226,462 2.593,463 3.638,464 2.479,465 1.37,466 3.542,467 2.089,468 1.094,469 1.447,470 2.538,471 1.081,472 2.252,473 1.146,474 3.459,475 1.967,476 1,477 1.116,479 2.275,480 0.965,481 2.118,482 1.122,483 3.414,484 1.764,485 0.79,486 1,488 0.763,489 17.7,490 0.492,491 0.853,492 0.024,493 48.25,494 1.34,495 24.5,496 0.681,497 23.75,498 0.66,499 0.866,500 0.636,501 39.728,502 1.104,503 9.7,504 0.269,505 0.216,506 0.132,510 0.696,511 0.488,512 0.926,513 0.528,514 0.861,515 0.841,516 1.063,517 0.599,518 0.811,519 0.576,520 0.852,521 0.926,522 0.907,523 0.921,524 0.95,525 1.345,526 1.143,527 0.753,528 1.004,529 1.617,530 1.03,531 1.4,532 0.81,533 0.744,534 1.396,535 0.871,536 1.143,537 0.956,538 0.774,539 0.933,540 0.925,541 0.995,542 1.17,543 1.053,544 0.736,545 0.919,546 1.34,547 0.98,548 0.984,549 0.935,550 1.104,551 1.31,552 0.991,553 6.5,554 0.168,555 4.667,556 2.278,557 2.031,558 1.264,559 0.801,560 0.641,561 0.416,562 0.263,563 67361,564 2.12,565 37.9,567 21,568 1,573 1.772,574 2,575 3.773,576 -0.744,581 1.671,582 3.599,583 5.479,584 5.479,585 3.226,586 5.141,587 3.988,588 2512.18,589 9.026,590 41215,595 1.352,596 0.162,597 0.005,598 0.083,599 0.039,600 0.037,601 0.024,602 0.016,603 0.014,604 0.009,605 0.007,606 0.397,607 0.33,608 0.75,609 0.496,610 198.594,611 -0.032,612 0.01,613 -0.081,614 0.029,615 0.035,616 0.008,617 0.045,618 0.037,619 0.01,620 0.121,621 -0.048,622 0.011,623 0.04,624 -0.01,625 -0.201,626 -0.16,627 -0.041,628 -0.091,629 -0.21,630 -0.099,631 -0.043,632 0.162,633 -0.007,634 0.125,635 -0.037,636 0.065,637 -0.094,639 -0.022,640 0.008,641 -0.055,642 -0.025,643 -0.084,644 -0.087,645 0.035,646 0.02,647 -0.039,648 -0.011,649 0.173,650 0.031,651 0.063,652 -0.014,653 0.037,654 -0.01,655 6.076,656 0.75,657 43,658 1.017,659 1.113,660 2.81,661 7.895,662 0.711,663 3.714,664 4.043,665 4.331,666 4.575,667 4.796,668 4.883,669 5.037,670 5.118,671 5.209,672 5.236,673 8.464,674 0.688,675 3.714,676 5.263,677 6.12,678 6.997,679 7.869,680 8.75,681 9.628,682 10.511,683 11.393,684 12.278,685 5.2,690 2,693 1,695 2,696 12,697 1,698 1,700 5,702 22,705 1,706 1,713 25,714 2,715 40,716 1,717 27,718 19,719 4,720 8,721 2,723 5,724 6,733 22,734 5,735 3,738 3,742 3,746 1,747 22,748 8,750 9,751 1,753 3,757 0.8,758 5,759 1,762 1,763 4,765 1,769 1,772 4,775 1,778 5.552}
{0 CHEMBL1581772,1 4.458,2 0.017,3 0.099,4 2.55,5 0.655,6 304.8,7 2.32,8 15.109,9 16.933,10 -0.293,11 0.655,12 4.037,13 5.128,14 16.466,15 17.993,16 19.449,17 20.957,18 22.435,19 3.278,20 3.364,21 1.336,22 42.43,23 0.054,24 2.811,25 3.406,26 3.995,27 1.113,28 32.14,29 12.177,30 0.13,31 0.911,32 275.402,33 2.874,34 1.09,35 3.465,36 5.486,37 3.355,38 3.405,39 1.564,40 323.813,41 475.71,42 305,43 3.739,44 3.845,45 4.303,46 4.47,47 4.613,48 4.832,49 3.562,50 3.539,51 2,53 14.345,54 14.345,55 14.345,56 14.345,57 14.345,58 12.903,59 8.686,60 14.757,61 9.179,62 11.756,63 4.152,64 389,65 -0.001,66 0.62,67 -0.295,68 -0.348,69 -0.65,70 -2.476,71 16.838,72 22.819,73 1.39,74 4310,75 61.934,76 4.107,77 199.421,78 4.338,79 -0.032,80 1,81 38,82 40,83 1,84 2.541,85 200.109,86 3.351,87 86.239,88 38.251,89 42.681,90 3.527,91 -0.295,92 4.955,93 -0.65,94 6.458,95 -2.476,96 7.994,97 9.549,98 11.116,99 4177,100 5.48,101 3.142,102 3.097,103 2.583,104 2.592,105 0.284,106 0.176,107 0.134,108 0.096,109 0.129,110 1.636,111 1.573,112 1.873,113 1.869,114 1.406,115 1.193,116 24.514,117 61.934,118 153.421,119 169.421,120 169.421,121 169.421,122 10.237,123 7.193,124 7.046,125 5.819,126 10.526,127 7.627,128 3.961,129 2.762,130 1.942,131 0.285,132 0.667,133 1.187,134 -0.224,135 1.945,136 1,137 4.491,138 0.331,139 0.181,140 2,141 3.125,142 1.86,143 1.177,144 1.576,145 5.992,146 126.792,147 -0.022,148 4.46,149 7.532,150 3.273,151 6,152 10.514,153 13.488,154 1.63,155 8.619,156 4.024,157 16.189,158 81.129,159 8.021,160 0.478,161 3.375,162 3.303,163 4.796,164 3.277,165 3.744,166 3.698,167 5.382,168 3.639,169 3.845,170 3.862,171 5.56,172 3.782,173 4.635,174 4.857,175 3.692,176 3.712,177 5.692,178 3.626,179 4.396,180 4.619,181 3.459,182 5.536,183 3.417,184 4.115,185 4.266,186 3.367,187 5.406,188 3.322,189 4.088,190 4.279,191 3.258,192 3.466,193 5.024,194 3.346,195 4.238,196 4.478,197 3.489,198 5.155,199 3.324,200 0.021,201 0.528,202 7.089,203 3.717,204 4.499,205 0.302,206 0.871,207 6.004,208 23.34,209 7.998,210 0.248,211 1.096,212 25.152,213 8.616,214 26.309,215 11.458,216 0.489,217 1.022,218 26.618,219 8.345,220 51.101,221 10.634,222 0.377,223 0.775,224 21.03,225 6.504,226 46.23,227 7.967,228 0.429,229 0.631,230 15.562,231 4.795,232 48.451,233 5.51,234 0.12,235 0.681,236 13.232,237 5.391,238 16.364,239 7.168,240 0.232,241 0.768,242 6.203,243 29.498,244 8.741,245 5,246 31,247 0.294,248 0.602,249 0.729,250 0.805,251 0.805,252 0.805,253 3.103,254 0.995,255 -3.8,256 -3.77,257 -3.58,259 42.1,261 4,264 2,268 4,269 1,270 1,271 1,281 1,287 5,288 3,289 7,294 8,296 4,301 4,302 1,303 12,309 3,313 2,314 5,317 5,323 6,326 4,328 6,331 2,334 4,335 535,336 12.144,337 11.376,338 11.376,339 11.376,340 11.376,341 11.376,342 12.077,343 3.618,344 1.911,345 1.211,346 0.789,347 0.789,348 0.789,349 3.788,351 1,352 1,353 1,355 98.423,356 70.56,357 84.351,358 1.256,359 20.905,361 1,362 1,363 1,364 1,365 0.8,366 0.5,367 1,368 0.9,369 45.333,370 181,371 4.522,372 3.792,373 6.53,374 4.037,375 3.074,376 4.46,377 2.208,378 10.302,379 2.96,380 3.959,381 3.152,382 6.021,383 3.696,384 2.762,385 3.244,386 8.569,387 2.562,388 3.672,389 5.315,390 3.216,391 2.312,392 3.014,393 6.689,394 2.057,395 3.279,396 2.386,397 4.821,398 2.849,399 1.919,400 2.599,402 5.322,403 1.781,404 2.999,405 2.104,406 4.31,407 2.713,408 1.741,409 2.212,411 4.105,412 1.642,413 2.904,414 1.584,415 4.068,416 2.471,417 1.51,418 1.917,420 3.641,421 1.423,422 2.442,423 1.554,424 3.605,425 2.237,426 1.247,427 1.424,428 2.89,429 1.233,430 2.315,431 1.298,432 3.414,433 2.189,434 1.224,435 1.247,436 2.606,437 1.167,438 2.247,439 1.12,440 3.366,441 1.863,442 0.892,443 1.221,444 2.092,445 0.853,446 1.315,447 0.657,448 2.745,449 0.895,450 -0.034,451 -0.041,452 -0.085,453 -0.031,454 1.151,455 0.282,456 2.448,457 0.711,458 -0.237,459 -0.305,460 -0.558,461 -0.167,462 0.84,463 2.273,464 0.747,465 -0.287,466 2.163,467 0.521,468 -0.445,469 -0.445,470 -1,471 -0.428,472 0.555,473 -0.321,474 2,475 0.254,476 -0.726,477 -1.048,479 -1.968,480 -0.695,481 0.433,482 -0.734,483 1.808,484 -0.06,485 -1,486 -1.356,488 -0.822,489 10.181,490 0.485,491 0.435,492 0.021,493 25.75,494 1.226,495 12,496 0.571,497 13.75,498 0.655,499 0.802,500 0.601,501 16.53,502 0.787,503 4.751,504 0.226,505 0.261,506 0.103,510 0.682,511 0.606,512 1.056,513 0.512,514 0.956,515 0.582,516 1.109,517 0.704,518 0.938,519 0.427,520 0.961,521 1.036,522 0.821,523 0.95,524 0.89,525 1.428,526 0.962,527 0.896,528 0.948,529 1.365,530 0.966,531 1.771,532 0.817,533 0.719,534 1.99,535 0.654,536 1.786,537 0.853,538 1.139,539 0.902,540 2.326,541 0.975,542 0.683,543 1.173,544 0.949,545 1.151,546 0.943,547 1.202,548 0.26,549 1.126,550 0.792,551 0.339,552 1.228,553 3.5,554 0.038,555 2.222,556 1.25,557 1.022,558 0.618,559 0.31,560 0.174,561 0.113,562 0.067,563 11744,564 2.102,565 44.7,566 4,567 8,569 1,572 4,573 1.632,574 2,575 3.116,576 -0.75,578 1,581 1.63,582 3.337,583 4.458,584 4.458,585 2.512,586 4.368,587 3.224,588 676.977,589 7.484,590 7109.54,592 1,593 1,594 1,595 1.268,596 0.152,597 0.009,598 0.072,599 0.037,600 0.039,601 0.026,602 0.015,603 0.009,604 0.007,605 0.007,606 0.373,607 0.67,608 1,609 0.532,610 94.247,611 -0.013,612 0.033,613 -0.087,614 0.242,615 0.006,616 0.036,617 -0.003,618 0.197,619 -0.033,620 -0.037,621 0.064,622 0.007,623 0.041,624 0.081,625 -0.101,626 -0.025,627 -0.018,628 -0.023,629 -0.062,630 -0.034,631 -0.212,632 0.082,633 0.165,634 0.269,635 -0.161,636 0.272,637 -0.131,638 0.161,639 -0.163,640 0.039,641 -0.177,642 -0.098,643 -0.083,644 -0.14,645 -0.172,646 -0.17,647 -0.133,648 -0.215,649 0.205,650 -0.131,651 -0.005,652 -0.222,653 0.133,654 -0.218,655 5.288,656 0.81,657 13.401,658 1.007,659 1.123,660 2.575,661 6.629,662 0.681,663 3.178,664 3.466,665 3.714,666 3.951,667 4.174,668 4.234,669 4.19,670 4.29,671 4.29,672 4.19,673 5.179,674 0.645,675 3.178,676 4.691,677 5.525,678 6.385,679 7.238,680 8.104,681 8.964,682 9.834,683 10.698,684 11.571,685 5.3,690 1,693 1,695 2,696 5,697 1,700 2,702 11,711 1,713 12,714 1,715 23,717 16,718 9,719 3,720 3,723 3,724 4,725 1,729 4,731 4,733 10,734 6,735 1,738 1,742 1,744 1,747 17,748 4,750 5,751 1,753 2,757 0.667,758 2,759 1,763 2,764 1,765 1,772 2,777 1,778 5.414}
{0 CHEMBL1584597,1 4.196,2 -0.068,3 0.096,4 3.464,5 1.397,6 301.79,7 2.74,8 13.477,9 10.907,10 -0.747,11 1.049,12 3.709,13 4.927,14 15.61,15 17.068,16 18.348,17 19.769,18 21.087,19 3.138,20 3.182,21 1.192,22 46.17,23 0.052,24 3.072,25 3.573,26 3.907,27 1.107,28 39.228,29 11.762,30 0.316,31 0.868,32 266.005,33 2.805,34 1.062,35 3.648,36 4.36,37 3.266,38 3.35,39 1.507,40 302.186,41 440.37,42 283,43 3.675,44 3.78,45 4.167,46 4.316,47 4.402,48 4.555,49 3.705,50 3.355,51 1,52 4,53 13.742,54 13.742,55 13.742,56 13.742,57 13.742,58 11.937,59 8.095,60 13.823,61 8.098,62 10.839,63 3.786,64 375,65 -0.069,66 0.28,67 -0.75,68 -1,69 -1.609,70 -3.106,71 15.564,72 22.119,73 1.073,74 3982,75 57.263,76 3.916,77 192.75,78 4.294,79 0.211,81 37,82 38,83 2,84 2.11,85 176.567,86 3.229,87 78.239,88 37.149,89 41.183,90 4.069,91 -0.75,92 5.649,93 -1.609,94 7.358,95 -3.106,96 9.128,97 10.924,98 12.732,99 4052,100 5.267,101 3.101,102 2.959,103 2.495,104 2.48,105 0.296,106 0.184,107 0.139,108 0.113,109 0.136,110 1.485,111 1.471,112 1.678,113 1.657,114 1.226,115 1.181,116 24.493,117 57.263,118 137.24,119 155.24,120 161.24,121 161.24,122 10.003,123 6.599,124 6.3,125 5.283,126 10.292,127 7.045,128 3.644,129 2.247,130 1.334,131 0.34,132 0.978,133 0.814,134 0.018,135 2.577,137 4.894,138 0.35,139 0.171,140 4,141 3.125,142 1.639,143 0.729,144 1.557,146 119.098,147 0.027,148 4.443,149 7.348,150 2.947,151 7,152 10.124,153 12.871,154 1.548,155 8.667,156 4.166,157 17.354,158 83.848,159 8.156,160 0.545,161 3.307,162 3.309,163 4.842,164 3.265,165 3.675,166 3.67,167 5.316,168 3.603,169 3.897,170 3.758,171 5.758,172 3.701,173 4.468,174 4.668,175 3.723,176 3.717,177 5.778,178 3.623,179 4.434,180 4.641,181 3.656,182 5.677,183 3.552,184 4.363,185 4.57,186 3.523,187 5.664,188 3.429,189 4.121,190 4.313,191 3.292,192 3.356,193 5.396,194 3.246,195 3.863,196 4.025,197 3.188,198 5.116,199 3.105,200 0.019,201 0.461,202 6.365,203 6.598,204 4.247,205 0.105,206 0.722,207 5.804,208 21.194,209 7.473,210 0.323,211 0.886,212 18.941,213 6.89,214 53.922,215 8.445,216 0.355,217 0.953,218 21.027,219 7.326,220 65.064,221 9.317,222 0.197,223 0.85,224 22.872,225 7.866,226 44.167,227 9.794,228 0.361,229 0.749,230 23.596,231 7.022,232 76.88,233 8.091,234 0.281,235 0.572,236 23.741,237 5.927,238 46.286,239 6.97,240 0.224,241 0.49,242 4.075,243 46.914,244 4.649,245 26,246 30,247 0.28,248 0.583,249 0.672,250 0.76,251 0.789,252 0.789,253 3.103,254 0.961,255 -4.68,256 -4.6,257 -4.32,259 45.9,260 2,265 1,268 8,269 3,279 1,280 1,287 12,289 1,291 1,293 2,294 12,296 4,300 5,301 10,302 1,303 5,305 1,307 2,309 5,312 2,314 5,316 2,317 7,320 5,322 1,323 9,326 1,328 13,334 12,335 550,336 10.979,337 10.77,338 10.77,339 10.77,340 10.77,341 10.77,342 10.942,343 3.662,344 1.991,345 1.5,346 1.014,347 0.852,348 0.852,349 3.755,350 1,353 1,355 154.496,358 1.333,359 24.913,361 1,362 1,363 1,364 1,365 0.6,366 0.5,367 1,368 0.87,369 44.833,370 182,371 4.366,372 4.048,373 6.522,374 4.042,375 3.064,376 3.998,377 2.482,378 10.014,379 2.985,380 4.25,381 3.417,382 6.375,383 3.908,384 2.917,385 3.734,386 9.553,387 2.887,388 3.741,389 5.575,390 3.369,391 2.383,392 3.05,393 7.062,394 2.318,395 3.232,396 2.313,397 4.841,398 2.879,399 1.879,400 2.481,402 5.104,403 1.879,404 3.201,405 2.147,406 4.461,407 2.745,408 1.731,409 2.413,411 4.246,412 1.745,413 2.872,414 2.096,415 3.963,416 2.416,417 1.433,418 2.026,420 3.316,421 1.402,422 2.6,423 1.557,424 3.584,425 2.118,426 1.13,427 1.573,428 2.661,429 1.089,430 2.5,431 1.323,432 3.247,433 2,434 1,435 1.5,436 2.136,437 1,438 1.864,439 1,440 3.135,441 1.454,442 0.505,443 0.621,444 1.186,445 0.444,446 1.56,447 0.932,448 2.618,449 1.14,450 0.204,451 0.252,452 0.451,453 0.161,454 1,455 0.17,456 2.352,457 0.653,458 -0.347,459 -0.445,460 -0.757,461 -0.347,462 0.748,463 2.124,464 0.593,465 -0.11,466 1.756,467 0.224,468 -0.802,469 -1.076,470 -2.024,471 -0.793,472 0.5,473 -0.53,474 1.555,476 -1,477 -1.5,479 -2.347,480 -1,481 0.045,482 -0.823,483 1.396,484 -0.251,485 -1.25,486 -1.544,488 -1.006,489 10.281,490 0.49,491 0.583,492 0.028,493 27.75,494 1.321,495 15.5,496 0.738,497 12.25,498 0.583,499 0.741,500 0.598,501 19.827,502 0.944,503 5.643,504 0.269,505 0.208,506 0.232,510 0.565,511 0.618,512 0.893,513 0.557,514 0.877,515 0.597,516 1.083,517 0.796,518 0.972,519 0.632,520 0.929,521 1.26,522 0.827,523 1.144,524 1.059,525 1.015,526 1.034,527 0.961,528 0.972,529 0.9,530 1.009,531 1.209,532 1.091,533 1.062,534 1.179,535 0.981,536 1.967,537 0.793,538 1.273,539 0.747,540 2.009,541 0.778,542 1.848,543 0.765,544 2.225,545 1.232,546 1.483,547 1.052,548 1.815,549 0.722,550 1.081,551 2.085,552 0.984,553 4,554 0.041,555 3.111,556 1.75,557 1.284,558 0.632,559 0.408,560 0.29,561 0.128,562 0.06,563 11746,564 1.941,565 43.2,566 6,567 9,570 1,573 1.633,574 1.775,575 3.107,576 -0.338,578 1,581 1.548,582 3.219,583 4.358,584 4.358,585 2.475,586 4.369,587 3.238,588 679.9,589 7.488,590 7248.4,592 1,593 1,594 1,595 1.545,596 0.182,597 0.007,598 0.104,599 0.055,600 0.048,601 0.025,602 0.019,603 0.016,604 0.009,605 0.005,606 0.468,607 0.5,608 1,609 0.702,610 94.649,611 -0.028,612 0.004,613 0.026,614 0.091,615 -0.052,616 0.036,617 -0.016,618 -0.01,619 0.016,620 -0.233,621 0.079,622 -0.209,623 0.1,624 -0.148,625 0.079,626 0.011,627 -0.028,628 -0.044,629 0.144,630 -0.083,631 -0.05,632 -0.158,633 0.064,634 -0.052,635 0.004,636 0.001,637 -0.291,638 0.134,639 0.045,640 0.261,641 -0.24,642 0.178,643 -0.329,644 0.145,645 -0.458,646 -0.146,647 -0.158,648 -0.058,649 -0.435,650 0.252,651 -0.33,652 0.119,653 -0.422,654 -0.081,655 5.168,656 0.571,657 14.2,658 1.004,659 1.113,660 3.449,661 11.894,662 0.699,663 3.135,664 3.434,665 3.664,666 3.784,667 3.892,668 3.738,669 3.664,670 3.611,671 3.555,672 3.434,673 5.262,674 0.662,675 3.135,676 4.654,677 5.485,678 6.337,679 7.183,680 8.038,681 8.889,682 9.745,683 10.597,684 11.454,685 2.7,690 1,696 8,700 4,702 12,704 1,713 14,714 2,715 22,717 17,718 12,719 4,720 8,721 1,722 1,723 2,724 2,725 1,727 2,731 1,733 14,734 3,735 2,738 2,742 2,744 1,747 16,748 3,749 1,750 4,751 1,753 1,757 1,758 2,763 2,768 1,772 2,776 2,777 1,778 6.107}