"molecule_id","GATS5i","ATSC4s","Chi0_EA.dm.","Mi","Eig06_AEA.dm.","SsF","GATS7m","nArX","D.Dtr06","C.026","CATS2D_01_LL","CATS2D_02_LL","SpMax2_Bh.s.","ATSC5s","DELS","ATSC5e","F.084","P_VSA_LogP_6","ATSC4e","ATSC3s","Eig08_EA","SM02_AEA.dm.","SpMaxA_EA.ed.","Chi1_EA.dm.","nN","nHet","SaasC","ZM1Kup","ATSC8i","ATSC3i","Eig07_AEA.dm.","ATSC5m","MSD","ATSC1i","ATS5e","ATS5i","SpMin4_Bh.p.","SpMin4_Bh.v.","GATS6i","ATS3m","ATS2s","Chi0_EA.bo.","Chi0_EA.ed.","Chi1_EA.ed.","ON1","X.","ATS4s","SpMax7_Bh.s.","Eig04_AEA.dm.","SpMin7_Bh.e.","X1sol","SpMaxA_AEA.bo.","SpMaxA_AEA.ed.","SpMaxA_EA","Psi_e_0","AECC","IDDM","SpMax8_Bh.m.","ATS4m","ATS4e","Eig05_AEA.dm.","N.","Eig07_AEA.ed.","CENT","Eig04_AEA.ri.","Eig04_EA.ri.","Eig15_AEA.ri.","Eta_epsi","HDcpx","IDMT","LPRS","MDDD","Xu","IDE","SpMin1_Bh.p.","X0v","AMR","Sv","ATSC2e","SpMin1_Bh.v.","MATS1s","SpMAD_AEA.ed.","Eig08_AEA.ri.","GMTIV","MATS8m","AAC","ALOGP","ALOGP2","AMW","ARR","ATS1e","ATS1i","ATS1m","ATS1p","ATS1s","ATS1v","ATS2e","ATS2i","ATS2m","ATS2p","ATS2v","ATS3e","ATS3i","ATS3p","ATS3s","ATS3v","ATS4i","ATS4p","ATS4v","ATS5m","ATS5p","ATS5s","ATS5v","ATS6e","ATS6i","ATS6m","ATS6p","ATS6s","ATS6v","ATS7e","ATS7i","ATS7m","ATS7p","ATS7s","ATS7v","ATS8e","ATS8i","ATS8m","ATS8p","ATS8s","ATS8v","ATSC1e","ATSC1m","ATSC1p","ATSC1s","ATSC1v","ATSC2i","ATSC2m","ATSC2p","ATSC2s","ATSC2v","ATSC3e","ATSC3m","ATSC3p","ATSC3v","ATSC4i","ATSC4m","ATSC4p","ATSC4v","ATSC5i","ATSC5p","ATSC5v","ATSC6e","ATSC6i","ATSC6m","ATSC6p","ATSC6s","ATSC6v","ATSC7e","ATSC7i","ATSC7m","ATSC7p","ATSC7s","ATSC7v","ATSC8e","ATSC8m","ATSC8p","ATSC8s","ATSC8v","BAC","BBI","BIC0","BIC1","BIC2","BIC3","BIC4","BIC5","BID","BLI","BLTA96","BLTD48","BLTF96","Br.094","C.","C.001","C.002","C.003","C.005","C.006","C.008","C.013","C.024","C.025","C.027","C.028","C.029","C.032","C.033","C.034","C.039","C.040","C.042","C.043","CATS2D_00_DD","CATS2D_00_DP","CATS2D_00_PP","CATS2D_01_AA","CATS2D_01_AN","CATS2D_01_DA","CATS2D_01_DN","CATS2D_02_AA","CATS2D_02_AL","CATS2D_02_AN","CATS2D_02_AP","CATS2D_02_DA","CATS2D_02_DL","CATS2D_02_PL","CATS2D_03_AA","CATS2D_03_AL","CATS2D_03_AP","CATS2D_03_DA","CATS2D_03_DL","CATS2D_03_LL","CATS2D_03_PL","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_04_PL","CATS2D_05_AA","CATS2D_05_AL","CATS2D_05_AN","CATS2D_05_DA","CATS2D_05_DD","CATS2D_05_DL","CATS2D_05_LL","CATS2D_06_AA","CATS2D_06_AL","CATS2D_06_AP","CATS2D_06_DA","CATS2D_06_DD","CATS2D_06_DL","CATS2D_06_DP","CATS2D_06_LL","CATS2D_06_PL","CATS2D_07_AA","CATS2D_07_AL","CATS2D_07_DA","CATS2D_07_DD","CATS2D_07_DL","CATS2D_07_LL","CATS2D_07_NL","CATS2D_07_PL","CATS2D_08_AA","CATS2D_08_AL","CATS2D_08_AP","CATS2D_08_DA","CATS2D_08_DD","CATS2D_08_DL","CATS2D_08_DP","CATS2D_08_LL","CATS2D_08_NL","CATS2D_08_PL","CATS2D_08_PP","CATS2D_09_AA","CATS2D_09_AL","CATS2D_09_AP","CATS2D_09_DA","CATS2D_09_DD","CATS2D_09_DL","CATS2D_09_DP","CATS2D_09_LL","CATS2D_09_PL","Chi0_AEA.bo.","Chi0_AEA.dm.","Chi0_AEA.ed.","Chi0_AEA.ri.","Chi0_EA","Chi0_EA.ri.","Chi1_AEA.bo.","Chi1_AEA.dm.","Chi1_AEA.ed.","Chi1_AEA.ri.","Chi1_EA","Chi1_EA.bo.","Chi1_EA.ri.","CIC0","CIC1","CIC2","CIC3","CIC4","CIC5","CID","Cl.089","CMC.50","CMC.80","CSI","DBI","D.Dtr05","D.Dtr09","DECC","Depressant.50","Depressant.80","DLS_01","DLS_02","DLS_03","DLS_04","DLS_05","DLS_06","DLS_07","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.dm.","Eig02_EA.ed.","Eig02_EA.ri.","Eig03_AEA.bo.","Eig03_AEA.dm.","Eig03_AEA.ed.","Eig03_AEA.ri.","Eig03_EA","Eig03_EA.bo.","Eig03_EA.dm.","Eig03_EA.ed.","Eig03_EA.ri.","Eig04_AEA.bo.","Eig04_AEA.ed.","Eig04_EA","Eig04_EA.bo.","Eig04_EA.dm.","Eig04_EA.ed.","Eig05_AEA.bo.","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.ed.","Eig06_AEA.ri.","Eig06_EA","Eig06_EA.bo.","Eig06_EA.dm.","Eig06_EA.ed.","Eig06_EA.ri.","Eig07_AEA.bo.","Eig07_AEA.ri.","Eig07_EA","Eig07_EA.bo.","Eig07_EA.dm.","Eig07_EA.ed.","Eig07_EA.ri.","Eig08_AEA.bo.","Eig08_AEA.dm.","Eig08_AEA.ed.","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.dm.","Eig12_AEA.ed.","Eig12_AEA.ri.","Eig12_EA","Eig12_EA.bo.","Eig12_EA.ed.","Eig12_EA.ri.","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.ed.","Eig14_EA.ri.","Eig15_AEA.bo.","Eig15_AEA.dm.","Eig15_AEA.ed.","Eig15_EA","Eig15_EA.bo.","Eig15_EA.ed.","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","Eta_C_A","Eta_epsi_A","Eta_F","Eta_F_A","Eta_FL","Eta_FL_A","Eta_L","Eta_L_A","Eta_sh_p","Eta_sh_x","Eta_sh_y","F.083","GATS1e","GATS1i","GATS1m","GATS1p","GATS1s","GATS1v","GATS2e","GATS2i","GATS2m","GATS2p","GATS2s","GATS2v","GATS3e","GATS3i","GATS3m","GATS3p","GATS3s","GATS3v","GATS4e","GATS4i","GATS4m","GATS4p","GATS4s","GATS4v","pXC50"
{1 1.05,2 47.405,3 16.624,4 1.118,5 2.109,7 0.934,9 142.162,11 11,12 13,13 6.543,14 40.738,15 18.803,16 0.262,18 13.13,19 0.326,20 19.838,21 1,22 1,23 0.452,24 15.431,25 2,26 5,27 4.014,28 328.036,29 0.862,30 1.226,31 1.684,32 27.138,33 5.884,34 0.6,35 4.621,36 4.849,37 1.514,38 1.537,39 1.048,40 3.919,41 5.331,42 13.942,43 9.355,44 4.314,45 5.222,47 5.778,48 3.749,49 2.727,50 0.988,51 11.657,52 0.183,53 0.273,54 0.129,55 8.52,56 10.043,57 4.494,58 2.687,59 3.907,60 4.715,61 2.35,62 4.7,63 3.697,64 730,65 3.121,66 2.068,67 0.125,68 24.7,69 1.656,70 9934.04,71 108.011,72 19.161,73 22.684,74 3.44,75 2.018,76 13.974,77 94.309,78 27.401,79 0.145,80 2.033,81 0.044,82 1.541,83 2,84 15133,85 0.047,86 1.577,87 3.711,88 13.768,89 7.639,90 0.44,91 3.846,92 3.955,93 3.484,94 3.464,95 4.963,96 3.396,97 4.37,98 4.544,99 3.811,100 3.869,101 3.767,102 4.616,103 4.818,104 3.982,105 5.596,106 3.862,107 4.919,108 3.935,109 3.809,110 3.652,111 3.809,112 5.639,113 3.672,114 4.524,115 4.746,116 3.513,117 3.735,118 5.563,119 3.581,120 4.467,121 4.712,122 3.408,123 3.644,124 5.558,125 3.488,126 4.339,127 4.594,128 3.299,129 3.542,130 5.276,131 3.379,132 0.078,133 9.329,134 4.356,135 12.591,136 5.455,137 1.004,138 18.191,139 7.456,140 11.556,141 9.525,142 0.113,143 23.721,144 9.448,145 12.34,146 1.303,147 32.224,148 10.546,149 12.58,150 1.168,151 9.339,152 11.553,153 0.292,154 1.067,155 25.963,156 9.04,157 41.655,158 11.013,159 0.351,160 0.964,161 22.839,162 8.244,163 57.885,164 10.689,165 0.179,166 19.052,167 7.076,168 32.035,169 9.328,170 11,171 34,172 0.276,173 0.616,174 0.776,175 0.846,176 0.857,177 0.857,178 3.188,179 1.043,180 -4.37,181 -4.3,182 -4.06,184 41.9,186 4,188 1,189 1,192 5,193 3,198 1,199 1,200 1,201 1,209 1,211 1,212 4,219 6,222 1,223 9,226 9,230 3,232 4,235 5,239 2,240 2,241 2,242 5,248 5,251 2,252 2,255 7,259 2,265 9,270 1,274 1,276 8,278 15.767,279 15.767,280 15.767,281 15.767,282 15.767,283 16.09,284 12.244,285 12.244,286 12.244,287 12.244,288 12.244,289 9.648,290 12.684,291 3.849,292 1.907,293 0.991,294 0.593,295 0.529,296 0.529,297 3.869,299 1,300 1,301 495,302 3.391,303 50.127,304 94.57,305 1.527,306 1,307 1,308 1,309 1,310 1,311 0.8,312 0.5,313 1,314 1,315 0.9,316 49,317 231,318 4.567,319 3.789,320 6.837,321 4.195,322 3.226,323 4.236,324 1.869,325 11.3,326 3.125,327 4.014,328 3.694,329 6.198,330 3.711,331 2.748,332 3.447,333 1.2,334 8.956,335 2.637,336 3.89,337 3.068,338 5.467,339 3.507,340 2.508,341 3.302,342 0.293,343 7.029,344 2.502,345 3.478,346 5.32,347 2.162,348 2.658,350 6.556,351 2.947,352 4.603,353 2.568,354 1.575,355 2.108,357 4.254,358 1.561,359 2.756,360 4.137,361 2.481,362 1.541,363 1.817,365 3.704,366 1.442,367 2.736,368 2.36,369 1.393,370 1.764,372 3.129,373 1.333,374 2.5,375 1.561,376 3.495,377 1.5,378 2.191,379 1,380 2.293,381 1.32,382 3.338,383 1.855,384 0.951,385 1.189,386 2.136,387 0.834,388 2.177,389 1,390 3.247,391 1.752,392 0.775,393 1.007,394 1.793,395 0.745,396 1.555,397 0.865,398 2.836,399 1.358,400 0.386,401 0.428,402 0.755,403 0.371,404 1.438,405 0.618,406 2.634,407 1.198,408 0.209,409 0.248,410 0.387,411 0.205,412 0.708,413 0.037,414 2.29,415 0.377,416 -0.602,417 -0.688,418 -1.246,419 -0.574,420 0.579,421 -0.303,422 2.109,423 0.36,424 -0.612,425 -0.722,426 -1.331,427 -0.594,428 0.5,429 -0.412,430 2,431 -0.855,432 -0.957,433 -2.184,434 -0.818,435 11.3,436 0.491,437 0.469,438 0.02,439 27,440 1.174,441 13,442 0.565,443 14,444 0.609,445 20.238,446 0.88,447 0.574,448 17.794,449 0.774,450 5.217,451 0.227,452 5.986,453 0.26,454 0.103,456 0.301,458 0.637,459 1.081,460 0.769,461 0.9,462 0.606,463 0.924,464 0.607,465 0.933,466 0.89,467 0.894,468 0.47,469 0.907,470 0.701,471 1.126,472 0.804,473 1.008,474 0.678,475 1.02,476 1.371,477 1.248,478 1.224,479 1.264,480 1.583,481 1.108,482 4.131}
{0 CHEMBL2204366,1 1.01,2 56.506,3 15.265,4 1.118,5 2.587,7 1.027,9 354.926,11 11,12 15,13 7.426,14 56.829,15 31.699,16 0.313,18 2.104,19 0.371,20 59.817,21 1.539,22 1.539,23 0.272,24 16.876,25 4,26 7,27 3.138,28 480.287,29 1.725,30 1.826,31 2.052,32 36.051,33 7.516,34 0.885,35 4.98,36 5.21,37 1.916,38 1.933,39 1.051,40 4.246,41 5.794,42 20.087,43 13.557,44 6.49,45 7.472,47 6.061,48 4.174,49 2.72,50 1.273,51 16.81,52 0.123,53 0.174,54 0.084,55 12.631,56 12.059,57 5.053,58 3.018,59 4.152,60 5.043,61 2.676,62 6.5,63 4.478,64 2338,65 3.512,66 2.483,67 1.815,68 35.6,69 1.766,70 32953.6,71 182.219,72 41.325,73 31.516,74 3.758,75 2.033,76 20.355,77 135.205,78 40.024,79 0.199,80 2.024,81 -0.053,82 1.53,83 2.531,84 41220,85 -0.082,86 1.551,87 5.09,88 25.905,89 7.624,90 0.595,91 4.201,92 4.319,93 3.823,94 3.819,95 5.299,96 3.764,97 4.723,98 4.893,99 4.2,100 4.208,101 4.123,102 4.987,103 5.199,104 4.324,105 6.062,106 4.21,107 5.274,108 4.293,109 4.166,110 4.19,111 4.205,112 6.084,113 4.119,114 4.888,115 5.062,116 4.283,117 4.185,118 6.231,119 4.135,120 4.922,121 5.115,122 4.181,123 4.244,124 6.049,125 4.163,126 4.953,127 5.144,128 4.215,129 4.281,130 6.08,131 4.184,132 0.033,133 12.7,134 5.852,135 8.485,136 7.501,137 1.449,138 24.248,139 10.045,140 26.948,141 13.079,142 0.406,143 35.548,144 13.112,145 16.912,146 1.855,147 40.226,148 14.199,149 17.978,150 1.702,151 12.648,152 16.425,153 0.674,154 1.623,155 32.079,156 10.132,157 101.986,158 12.825,159 0.3,160 1.674,161 31.909,162 11.672,163 49.495,164 14.763,165 0.249,166 34.213,167 12.719,168 52.508,169 15.814,170 30,171 51,172 0.247,173 0.571,174 0.736,175 0.847,176 0.87,177 0.875,178 3.561,179 0.991,180 -4.24,181 -4.18,182 -3.95,184 43.5,185 3,186 1,187 1,189 1,190 1,192 10,193 2,194 1,195 3,199 2,201 2,212 5,215 2,216 3,218 2,219 4,221 2,222 4,223 14,226 5,228 1,230 3,232 7,235 9,239 3,240 9,241 2,242 8,244 2,245 1,246 5,248 9,250 1,251 7,254 2,255 6,259 12,263 7,265 10,270 8,274 6,276 10,278 22.792,279 22.792,280 22.792,281 22.792,282 22.792,283 23.152,284 18.272,285 18.272,286 18.272,287 18.272,288 18.272,289 14.053,290 18.858,291 4.403,292 2.365,293 1.331,294 0.629,295 0.488,296 0.456,297 4.254,301 878,302 4.416,303 76.147,304 150.334,305 1.827,308 1,309 0.83,310 1,311 0.8,312 0.5,313 1,314 1,315 0.88,316 72,317 410,318 4.533,319 3.608,320 6.425,321 4.072,322 3.113,323 4.445,324 1.058,325 10.066,326 2.996,327 4.323,328 3.528,329 6.201,330 3.88,331 2.918,332 3.998,333 1.058,334 9.266,335 2.791,336 3.942,337 3.053,338 5.931,339 3.698,340 2.713,341 3.445,343 8.227,344 2.666,345 3.893,346 5.819,347 2.535,348 3.244,350 7.901,351 3.797,352 5.66,353 3.459,354 2.471,355 3.191,357 7.202,358 2.425,359 3.568,360 5.339,361 3.369,362 2.384,363 2.62,365 6.963,366 2.338,367 3.094,368 2.648,369 1.681,370 2.309,372 4.402,373 1.619,374 3.032,375 1.697,376 4.414,377 2.298,378 4.312,379 1.524,380 2.948,381 1.581,382 4.097,383 2.473,384 1.532,385 2.117,386 3.533,387 1.426,388 2.87,389 1.532,390 4.06,391 2.392,392 1.414,393 1.978,394 3.385,395 1.368,396 2.638,397 1.473,398 3.644,399 2.254,400 1.284,401 1.632,402 3.099,403 1.241,404 2.529,405 1.365,406 3.589,407 2.027,408 1.076,409 1.529,410 2.769,411 1.011,412 2.5,413 1.277,414 3.319,415 1.959,416 1,417 1.5,418 2.136,419 0.956,420 2.15,421 1.064,422 3.247,423 1.85,424 0.857,425 1.031,426 1.96,427 0.842,428 2.036,429 1,430 3.189,431 0.801,432 0.959,433 1.847,434 0.805,435 16.6,436 0.488,437 0.856,438 0.025,439 44,440 1.294,441 23,442 0.676,443 21,444 0.618,445 32.08,446 0.944,447 0.574,448 34.764,449 1.022,450 8.293,451 0.244,452 8.108,453 0.238,454 0.131,456 0.331,458 0.692,459 1.156,460 0.772,461 0.939,462 0.586,463 0.916,464 0.623,465 1.1,466 0.812,467 0.936,468 0.536,469 0.926,470 0.911,471 0.951,472 1.016,473 0.968,474 0.825,475 0.962,476 1.232,477 0.957,478 1.128,479 1.016,480 1.242,481 0.962,482 5.495}
{0 CHEMBL2204367,1 1.041,2 58.728,3 18.427,4 1.126,5 2.588,7 1.055,9 362.679,11 11,12 11,13 7.426,14 63.318,15 32.076,16 0.355,18 4.901,19 0.395,20 60.554,21 1.651,22 1.651,23 0.294,24 19.376,25 5,26 7,27 2.983,28 491.072,29 1.871,30 1.911,31 2.123,32 39.052,33 7.509,34 0.971,35 5.131,36 5.375,37 1.926,38 1.945,39 0.929,40 4.22,41 5.845,42 20.567,43 13.779,44 6.557,45 7.694,47 6.157,48 4.27,49 2.72,50 1.29,51 16.829,52 0.123,53 0.179,54 0.085,55 12.997,56 12.086,57 5.095,58 3.011,59 4.154,60 5.151,61 2.678,62 7.6,63 5.037,64 2466,65 3.513,66 2.489,67 1.816,68 37.333,69 1.774,70 35310,71 188.642,72 41.982,73 32.146,74 3.754,75 2.052,76 20.578,77 135.904,78 41.385,79 0.241,80 2.039,81 -0.054,82 1.552,83 2.625,84 41337,85 -0.161,86 1.472,87 4.727,88 22.347,89 7.116,90 0.579,91 4.261,92 4.391,93 3.787,94 3.813,95 5.351,96 3.78,97 4.794,98 4.983,99 4.143,100 4.194,101 4.141,102 5.054,103 5.272,104 4.343,105 6.121,106 4.263,107 5.389,108 4.355,109 4.254,110 4.183,111 4.303,112 6.192,113 4.217,114 5.052,115 5.261,116 4.235,117 4.272,118 6.318,119 4.211,120 5.038,121 5.244,122 4.219,123 4.283,124 6.183,125 4.227,126 5.076,127 5.28,128 4.193,129 4.294,130 6.224,131 4.232,132 0.039,133 13.919,134 5.888,135 9.758,136 8.108,137 1.554,138 25.659,139 9.576,140 29.457,141 13.748,142 0.422,143 34.753,144 12.336,145 17.688,146 1.997,147 39.361,148 13.666,149 19.519,150 1.904,151 13.644,152 19.369,153 0.799,154 1.826,155 35.774,156 11.723,157 111.418,158 16.434,159 0.355,160 1.835,161 34.497,162 11.493,163 58.234,164 16.091,165 0.426,166 36.227,167 11.746,168 78.002,169 16.301,170 41,171 53,172 0.231,173 0.562,174 0.743,175 0.846,176 0.867,177 0.872,178 3.589,179 0.939,180 -3.68,181 -3.65,182 -3.47,184 42.4,185 3,186 1,187 1,188 1,189 1,190 1,192 10,193 2,194 1,195 3,199 2,201 2,212 9,215 2,216 3,218 2,219 8,221 2,222 4,223 10,226 6,228 1,230 3,232 6,234 1,235 8,239 3,240 9,241 4,242 6,244 4,245 1,246 3,248 9,250 1,251 7,254 2,255 6,259 15,263 7,265 7,270 10,274 6,276 8,278 23.344,279 23.344,280 23.344,281 23.344,282 23.344,283 23.636,284 18.729,285 18.729,286 18.729,287 18.729,288 18.729,289 14.425,290 19.167,291 4.573,292 2.471,293 1.322,294 0.663,295 0.531,296 0.5,297 4.28,301 903,302 4.472,303 78.395,304 154.598,305 1.802,308 1,309 0.83,310 1,311 0.8,312 0.5,313 1,314 1,315 0.88,316 74.5,317 423,318 4.664,319 3.609,320 6.804,321 4.209,322 3.243,323 4.603,324 1.058,325 11.181,326 3.137,327 4.339,328 3.528,329 6.263,330 3.94,331 2.96,332 4,333 1.058,334 9.453,335 2.893,336 3.942,337 3.247,338 5.942,339 3.699,340 2.713,341 3.445,343 8.251,344 2.669,345 3.893,346 5.889,347 2.535,348 3.247,350 8.056,351 3.811,352 5.666,353 3.46,354 2.471,355 3.231,357 7.217,358 2.425,359 3.574,360 5.339,361 3.385,362 2.391,363 2.656,365 6.963,366 2.372,367 3.281,368 2.823,369 1.859,370 2.558,372 5.468,373 1.786,374 3.073,375 1.825,376 4.551,377 2.306,378 4.455,379 1.606,380 2.949,381 1.697,382 4.194,383 2.532,384 1.538,385 2.117,386 3.657,387 1.527,388 2.87,389 1.581,390 4.06,391 2.402,392 1.418,393 1.979,394 3.425,395 1.389,396 2.641,397 1.486,398 3.645,399 2.254,400 1.284,401 1.652,402 3.101,403 1.241,404 2.593,405 1.365,406 3.608,407 2.119,408 1.145,409 1.601,410 2.829,411 1.113,412 2.5,413 1.277,414 3.378,415 1.959,416 1,417 1.5,418 2.136,419 0.956,420 2.151,421 1.164,422 3.316,423 1.874,424 0.874,425 1.036,426 1.974,427 0.866,428 2.112,429 1,430 3.247,431 0.802,432 0.964,433 1.848,434 0.806,435 16.667,436 0.476,437 0.929,438 0.027,439 45.25,440 1.293,441 23,442 0.657,443 22.25,444 0.636,445 32.718,446 0.935,447 0.566,448 38.225,449 1.092,450 8.779,451 0.251,452 8.05,453 0.23,454 0.16,456 0.354,458 0.729,459 1.342,460 0.832,461 1.097,462 0.596,463 0.991,464 0.715,465 1.174,466 0.827,467 0.978,468 0.534,469 0.919,470 0.924,471 1.029,472 0.974,473 0.992,474 0.815,475 0.983,476 1.194,477 1.011,478 1.053,479 1.012,480 1.192,481 1.01,482 5.569}
{0 CHEMBL226770,1 0.969,2 75.732,3 27.545,4 1.13,5 2.354,7 1.148,9 303.626,10 2,11 11,12 13,13 6.469,14 43.85,15 27.291,16 0.329,18 4.227,19 0.573,20 36.5,21 1.414,22 1.414,23 0.331,24 42.993,25 5,26 7,27 5.092,28 411.153,29 1.159,30 1.392,31 2.035,32 26.628,33 7.146,34 0.768,35 4.749,36 5.012,37 1.692,38 1.699,39 1.167,40 3.947,41 5.669,42 16.043,43 10.949,44 5.217,45 6.167,47 5.976,48 4.138,49 2.704,50 1.097,51 13.419,52 0.146,53 0.215,54 0.101,55 10.299,56 11.893,57 4.779,58 2.859,59 3.856,60 4.836,61 2.528,62 9.8,63 4.573,64 1304,65 3.321,66 2.236,67 0.59,68 30.033,69 1.709,70 19364.9,71 142.674,72 28.714,73 27.115,74 3.718,75 2.056,76 15.86,77 111.386,78 32.278,79 0.222,80 2.05,81 -0.151,82 1.523,83 2.4,84 27580,85 -0.098,86 1.557,87 4.082,88 16.664,89 7.402,90 0.6,91 4.019,92 4.151,93 3.561,94 3.541,95 5.2,96 3.526,97 4.492,98 4.67,99 3.899,100 3.903,101 3.86,102 4.726,103 4.918,104 4.015,105 5.857,106 3.955,107 5.077,108 3.964,109 3.87,110 3.723,111 3.893,112 5.719,113 3.8,114 4.664,115 4.905,116 3.795,117 3.854,118 5.746,119 3.78,120 4.668,121 4.903,122 3.753,123 3.822,124 5.815,125 3.767,126 4.614,127 4.844,128 3.647,129 3.781,130 5.726,131 3.695,132 0.065,133 10.475,134 4.231,135 13.458,136 5.691,137 1.168,138 18.105,139 7.254,140 30.4,141 9.968,142 0.175,143 23.712,144 8.45,145 11.917,146 1.447,147 28.94,148 9.196,149 13.362,150 1.345,151 7.825,152 12.004,153 0.258,154 1.241,155 23.874,156 7.973,157 41.258,158 11.775,159 0.425,160 1.248,161 24.363,162 6.592,163 58.574,164 9.821,165 0.227,166 22.585,167 7.397,168 46.575,169 10.707,170 27,171 41,172 0.26,173 0.642,174 0.801,175 0.872,176 0.898,177 0.898,178 3.374,179 0.895,180 -4.26,181 -4.2,182 -3.97,184 41.2,185 2,186 1,189 1,192 7,193 4,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 3,214 1,215 4,216 7,217 1,222 6,223 9,225 2,226 4,227 2,228 4,229 2,230 6,231 1,232 5,235 4,239 3,240 2,242 10,244 1,245 1,246 6,247 1,248 3,249 2,251 8,253 1,254 5,255 1,257 2,259 7,263 7,265 4,267 3,270 1,272 2,274 3,276 6,277 1,278 18.516,279 18.516,280 18.516,281 18.516,282 18.516,283 18.77,284 14.795,285 14.795,286 14.795,287 14.795,288 14.795,289 11.131,290 15.245,291 4.115,292 1.836,293 0.886,294 0.461,295 0.304,296 0.304,297 4.055,300 1,301 701,302 3.317,305 1.773,307 1,308 1,309 1,310 1,311 0.6,312 0.5,313 1,314 1,315 0.87,316 60.5,317 333,318 4.378,319 3.542,320 6.437,321 3.99,322 3.021,323 4.021,324 0.98,325 9.916,326 2.931,327 4.214,328 3.045,329 5.95,330 3.813,331 2.829,332 3.869,333 0.4,334 8.322,335 2.783,336 4.023,337 2.917,338 5.525,339 3.61,340 2.623,341 3.631,342 0.4,343 7.463,344 2.591,345 3.701,346 5.345,347 2.382,348 3.042,350 6.894,351 3.514,352 5.202,353 3.178,354 2.199,355 2.819,357 6.402,358 2.136,359 3.354,360 4.889,361 3.007,362 2.035,363 2.597,365 5.556,366 1.97,367 3.054,368 2.629,369 1.652,370 2.208,372 4.54,373 1.603,374 2.82,375 1.667,376 4.043,377 1.949,378 3.527,379 1.39,380 2.686,381 1.43,382 3.704,383 2.212,384 1.246,385 1.74,386 2.831,387 1.202,388 2.642,389 1.29,390 3.481,391 2.15,392 1.171,393 1.685,394 2.585,395 1.14,396 2.266,397 1.202,398 3.453,399 2.025,400 1.054,401 1.234,402 2.426,403 1.016,404 1.512,405 0.638,406 2.945,407 1.216,408 0.272,409 0.32,410 0.618,411 0.254,412 1.381,413 0.38,414 2.831,415 1.025,416 0.081,417 0.1,418 0.213,419 0.076,420 1.116,421 0.132,422 2.38,423 0.835,424 -0.116,425 -0.135,426 -0.282,427 -0.11,428 0.92,429 0.05,430 2.327,431 -0.406,432 -0.509,433 -0.912,434 -0.403,435 13.167,436 0.47,437 0.753,438 0.027,439 38.75,440 1.384,441 21,442 0.75,443 17.75,444 0.634,445 21.018,446 0.751,447 0.589,448 29.337,449 1.048,450 7.815,451 0.279,452 5.604,453 0.2,454 0.157,456 0.342,458 0.949,459 1.227,460 0.847,461 0.985,462 0.864,463 0.906,464 0.538,465 1.002,466 0.771,467 1.008,468 0.468,469 0.94,470 1.039,471 1.381,472 1.045,473 1.238,474 0.94,475 1.157,476 0.927,477 0.987,478 1.056,479 1.027,480 0.942,481 1.063,482 6.886}
{0 CHEMBL226928,1 0.952,2 64.231,3 26.605,4 1.13,5 2.288,7 1.163,9 290.045,10 2,11 10,12 12,13 6.471,14 50.996,15 26.824,16 0.387,18 4.227,19 0.51,20 39.394,21 1.276,22 1.276,23 0.342,24 42.147,25 5,26 7,27 4.072,28 403.153,29 1.087,30 1.31,31 2.033,32 24.044,33 6.891,34 0.73,35 4.658,36 4.904,37 1.674,38 1.676,39 1.139,40 3.874,41 5.641,42 15.596,43 10.816,44 5.178,45 5.972,47 5.888,48 4.14,49 2.694,50 0.966,51 13.008,52 0.151,53 0.222,54 0.104,55 9.921,56 11.148,57 4.725,58 2.808,59 3.82,60 4.734,61 2.403,62 10.4,63 4.572,64 1218,65 3.3,66 2.197,67 0.534,68 28.733,69 1.701,70 17176,71 135.636,72 27.309,73 26.278,74 3.656,75 2.054,76 14.938,77 106.345,78 30.751,79 0.22,80 2.045,81 -0.154,82 1.505,83 2.246,84 25697,85 -0.103,86 1.579,87 3.596,88 12.93,89 7.572,90 0.621,91 3.966,92 4.095,93 3.527,94 3.489,95 5.166,96 3.48,97 4.427,98 4.597,99 3.856,100 3.844,101 3.807,102 4.672,103 4.871,104 3.939,105 5.793,106 3.88,107 4.978,108 3.866,109 3.785,110 3.691,111 3.805,112 5.706,113 3.736,114 4.583,115 4.815,116 3.765,117 3.791,118 5.718,119 3.727,120 4.58,121 4.805,122 3.714,123 3.764,124 5.742,125 3.72,126 4.547,127 4.768,128 3.624,129 3.725,130 5.735,131 3.644,132 0.075,133 9.544,134 3.896,135 13.796,136 5.131,137 1.105,138 16.299,139 6.66,140 30.033,141 8.999,142 0.223,143 22.38,144 7.845,145 10.964,146 1.332,147 25.768,148 8.198,149 12.015,150 1.237,151 6.729,152 9.953,153 0.312,154 1.16,155 21.653,156 7.251,157 41.182,158 10.578,159 0.354,160 1.168,161 21.614,162 6.009,163 51.505,164 8.675,165 0.307,166 20.707,167 6.958,168 52.006,169 9.913,170 18,171 39,172 0.267,173 0.649,174 0.809,175 0.893,176 0.908,177 0.908,178 3.339,179 0.883,180 -4.04,181 -3.99,182 -3.78,184 41.7,185 1,186 1,189 1,192 8,193 3,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 3,214 1,215 4,216 7,217 1,222 5,223 6,225 2,226 4,227 2,228 4,229 2,230 7,231 1,232 4,235 4,239 1,240 2,242 10,244 1,245 2,246 6,247 1,248 3,249 2,251 6,254 5,255 1,257 2,259 7,261 2,263 7,265 4,267 3,270 1,274 2,276 5,277 1,278 18.016,279 18.016,280 18.016,281 18.016,282 18.016,283 18.277,284 14.344,285 14.344,286 14.344,287 14.344,288 14.344,289 10.751,290 14.8,291 4.006,292 1.754,293 0.807,294 0.307,295 0.224,296 0.224,297 4.022,299 1,300 1,301 635,302 3.24,305 1.772,307 1,308 1,309 1,310 1,311 0.6,313 1,314 1,315 0.8,316 58.5,317 301,318 4.378,319 3.542,320 6.437,321 3.99,322 3.021,323 4.021,324 0.98,325 9.916,326 2.931,327 4.042,328 2.921,329 5.525,330 3.64,331 2.656,332 3.647,333 0.4,334 7.463,335 2.615,336 4.023,337 2.86,338 5.504,339 3.61,340 2.622,341 3.631,342 0.4,343 7.442,344 2.591,345 3.698,346 5.338,347 2.367,348 3.041,350 6.879,351 3.356,352 4.89,353 3.015,354 2.041,355 2.598,357 5.558,358 1.978,359 3.306,360 4.749,361 2.953,362 1.989,363 2.555,365 5.315,366 1.909,367 3.054,368 2.627,369 1.651,370 2.208,372 4.538,373 1.601,374 2.693,375 1.432,376 3.704,377 1.765,378 2.841,379 1.236,380 2.672,381 1.348,382 3.508,383 2.189,384 1.193,385 1.737,386 2.653,387 1.186,388 2.641,389 1.202,390 3.481,391 2.129,392 1.159,393 1.68,394 2.585,395 1.118,396 2.225,397 1.155,398 3.393,399 1.971,400 1,401 1.184,402 2.288,403 0.966,404 1.421,405 0.413,406 2.944,407 1.066,408 0.112,409 0.139,410 0.29,411 0.107,412 1.227,413 0.202,414 2.75,415 0.945,420 0.96,421 0.062,422 2.283,423 0.595,424 -0.389,425 -0.493,426 -0.869,427 -0.364,428 0.905,429 -0.057,430 2.155,431 -0.414,432 -0.517,433 -0.933,434 -0.404,435 12.667,436 0.469,437 0.664,438 0.025,439 38.25,440 1.417,441 21,442 0.778,443 17.25,444 0.639,445 18.793,446 0.696,447 0.599,448 28.547,449 1.057,450 7.759,451 0.287,452 5.249,453 0.194,454 0.124,456 0.316,458 0.955,459 1.214,460 0.829,461 0.959,462 0.861,463 0.878,464 0.551,465 1.04,466 0.807,467 1.059,468 0.47,469 0.991,470 1.065,471 1.342,472 1.05,473 1.191,474 0.984,475 1.13,476 0.721,477 0.987,478 0.948,479 1.016,480 0.719,481 1.018,482 5.523}
{0 CHEMBL226930,1 1.171,2 75.811,3 26.304,4 1.129,5 2.307,7 0.849,8 1,9 323.25,10 2,11 10,12 11,13 6.471,14 44.774,15 29.216,16 0.367,18 4.227,19 0.658,20 47.91,21 1.414,22 1.414,23 0.323,24 37.656,25 5,26 8,27 3.68,28 442.377,29 1.222,30 1.34,31 1.927,32 28.203,33 7.431,34 0.759,35 4.715,36 4.958,37 1.716,38 1.71,39 0.884,40 4.082,41 5.665,42 17.25,43 11.779,44 5.525,45 6.583,46 2,47 5.947,48 4.206,49 2.707,50 0.94,51 14.352,52 0.141,53 0.208,54 0.097,55 10.668,56 12.448,57 4.828,58 2.855,59 3.936,60 4.788,61 2.562,62 9.8,63 4.043,64 1537,65 3.338,66 2.228,67 0.799,68 31.119,69 1.72,70 21948.4,71 149.978,72 32.483,73 28.047,74 3.777,75 2.046,76 16.701,77 117.325,78 33.105,79 0.288,80 2.038,81 -0.102,82 1.497,83 2.323,84 34897,85 -0.002,86 1.673,87 3.822,88 14.608,89 8.077,90 0.581,91 4.025,92 4.149,93 3.643,94 3.559,95 5.198,96 3.545,97 4.506,98 4.68,99 3.978,100 3.92,101 3.874,102 4.747,103 4.946,104 4.021,105 5.905,106 3.957,107 5.014,108 3.944,109 3.856,110 3.811,111 3.887,112 5.709,113 3.796,114 4.688,115 4.926,116 3.832,117 3.855,118 5.778,119 3.79,120 4.627,121 4.842,122 3.858,123 3.874,124 5.746,125 3.812,126 4.68,127 4.908,128 3.871,129 3.865,130 5.814,131 3.799,132 0.084,133 9.455,134 4.188,135 11.643,136 5.387,137 1.159,138 17.663,139 7.003,140 25.188,141 9.3,142 0.332,143 26.624,144 9.104,145 12.234,146 1.356,147 29.434,148 8.839,149 12.022,150 1.284,151 8.15,152 11.586,153 0.554,154 1.256,155 27.073,156 7.182,157 57.86,158 10.122,159 0.347,160 1.207,161 22.966,162 7.524,163 44.247,164 10.359,165 0.458,166 25.264,167 7.545,168 57.149,169 10.454,170 19,171 41,172 0.28,173 0.639,174 0.788,175 0.869,176 0.887,177 0.887,178 3.407,179 0.922,180 -4.48,181 -4.41,182 -4.15,184 41.2,186 1,188 1,189 2,192 8,193 3,194 1,196 1,197 1,201 1,211 1,212 3,215 4,216 5,222 6,223 7,225 2,226 3,228 4,229 2,230 6,232 3,235 4,239 3,240 2,242 8,244 1,245 1,246 4,248 3,251 7,253 1,254 5,255 2,259 7,263 7,265 3,270 3,272 2,274 4,276 4,278 19.646,279 19.646,280 19.646,281 19.646,282 19.646,283 20.09,284 15.216,285 15.216,286 15.216,287 15.216,288 15.216,289 11.591,290 15.949,291 3.999,292 1.854,293 0.961,294 0.476,295 0.368,296 0.368,297 4.091,298 1,300 1,301 759,302 3.536,305 1.919,308 1,309 1,310 1,311 0.6,312 0.5,313 1,314 1,315 0.87,316 62.833,317 361,318 4.375,319 3.585,320 6.462,321 3.991,322 3.019,323 4.013,324 1.058,325 9.999,326 2.938,327 4.214,328 3.211,329 5.95,330 3.767,331 2.829,332 3.869,333 0.657,334 8.322,335 2.649,336 3.894,337 2.882,338 5.395,339 3.51,340 2.515,341 3.443,342 0.4,343 7.019,344 2.501,345 3.726,346 5.336,347 2.406,348 3.066,350 6.949,351 3.515,352 5.204,353 3.165,354 2.205,355 2.82,357 6.406,358 2.079,359 3.24,360 4.908,361 2.876,362 1.928,363 2.405,365 5.37,366 1.816,367 2.914,368 2.488,369 1.495,370 2.076,372 3.527,373 1.482,374 2.82,375 1.669,376 3.944,377 1.949,378 3.229,379 1.223,380 2.714,381 1.453,382 3.628,383 2.245,384 1.298,385 1.769,386 3.042,387 1.221,388 2.5,389 1.293,390 3.468,391 2.066,392 1.111,393 1.5,394 2.502,395 1.058,396 2.271,397 1.09,398 3.247,399 2,400 1,401 1.247,402 2.136,403 1,404 1.856,405 1,406 3.138,407 1.563,408 0.632,409 0.75,410 1.466,411 0.587,412 1.518,413 0.805,414 2.865,415 1.261,416 0.326,417 0.37,418 0.667,419 0.298,420 1.462,421 0.677,422 2.576,423 1.135,424 0.199,425 0.233,426 0.317,427 0.176,428 1.19,429 0.301,430 2.38,431 -0.117,432 -0.14,433 -0.257,434 -0.097,435 13.881,436 0.479,437 0.609,438 0.021,439 39.75,440 1.371,441 21,442 0.724,443 18.75,444 0.647,445 21.616,446 0.745,447 0.61,448 30.259,449 1.043,450 8.134,451 0.28,452 5.929,453 0.204,454 0.136,456 0.288,458 0.871,459 1.313,460 0.673,461 0.948,462 0.749,463 0.883,464 0.674,465 0.97,466 0.743,467 0.924,468 0.591,469 0.936,470 0.883,471 1.321,472 0.872,473 1.143,474 0.842,475 1.051,476 1.06,477 0.957,478 1.075,479 0.99,480 1.182,481 1.064,482 7.523}
{0 CHEMBL227748,1 1.092,2 70.083,3 28.139,4 1.13,5 2.344,7 1.122,9 304.519,10 2,11 10,12 12,13 6.471,14 37.055,15 25.433,16 0.286,18 4.227,19 0.569,20 36.808,21 1.287,22 1.287,23 0.335,24 41.68,25 5,26 7,27 4.524,28 412.174,29 1.224,30 1.369,31 2.037,32 24.899,33 7.065,34 0.77,35 4.702,36 4.951,37 1.719,38 1.714,39 1.065,40 3.923,41 5.641,42 16.518,43 11.287,44 5.323,45 6.306,47 5.922,48 4.126,49 2.694,50 0.971,51 13.546,52 0.146,53 0.216,54 0.101,55 10.299,56 11.893,57 4.775,58 2.822,59 3.847,60 4.791,61 2.447,62 9.8,63 4.637,64 1406,65 3.326,66 2.223,67 0.648,68 30.033,69 1.711,70 19221.9,71 142.381,72 29.801,73 27.105,74 3.703,75 2.056,76 15.86,77 111.242,78 32.278,79 0.247,80 2.046,81 -0.111,82 1.509,83 2.24,84 27400,85 -0.249,86 1.557,87 3.802,88 14.454,89 7.402,90 0.6,91 4.02,92 4.15,93 3.565,94 3.535,95 5.183,96 3.521,97 4.497,98 4.68,99 3.883,100 3.886,101 3.845,102 4.723,103 4.927,104 3.986,105 5.832,106 3.926,107 5.029,108 3.924,109 3.84,110 3.772,111 3.877,112 5.701,113 3.803,114 4.68,115 4.918,116 3.823,117 3.87,118 5.765,119 3.809,120 4.666,121 4.888,122 3.801,123 3.863,124 5.794,125 3.81,126 4.649,127 4.868,128 3.682,129 3.851,130 5.733,131 3.763,132 0.056,133 10.45,134 4.214,135 10.617,136 5.691,137 1.172,138 18.349,139 6.997,140 24.351,141 9.699,142 0.19,143 24.085,144 8.369,145 11.921,146 1.391,147 27.636,148 8.641,149 12.548,150 1.32,151 7.305,152 11.186,153 0.334,154 1.288,155 24.244,156 7.326,157 42.922,158 10.965,159 0.38,160 1.264,161 23.801,162 6.898,163 50.33,164 10.086,165 0.252,166 22.982,167 7.575,168 42.265,169 10.838,170 19,171 40,172 0.26,173 0.632,174 0.797,175 0.869,176 0.878,177 0.878,178 3.374,179 0.9,180 -4.26,181 -4.2,182 -3.97,184 41.2,185 1,186 1,188 1,189 1,192 8,193 3,194 1,196 1,197 1,201 1,211 1,212 3,215 4,216 7,222 5,223 7,225 2,226 4,228 4,229 2,230 6,232 3,235 4,239 3,240 2,242 10,244 1,245 1,246 5,248 3,251 8,253 1,254 5,255 1,259 5,263 7,265 4,270 1,272 2,274 3,276 6,278 18.886,279 18.886,280 18.886,281 18.886,282 18.886,283 19.225,284 14.748,285 14.748,286 14.748,287 14.748,288 14.748,289 11.158,290 15.255,291 4.115,292 1.892,293 0.907,294 0.476,295 0.422,296 0.422,297 4.057,300 1,301 701,302 3.391,305 1.773,307 1,308 1,309 1,310 1,311 0.6,312 0.5,313 1,314 1,315 0.87,316 60.5,317 333,318 4.389,319 3.587,320 6.473,321 4.006,322 3.036,323 4.027,324 1.058,325 10.059,326 2.949,327 4.025,328 2.927,329 5.542,330 3.616,331 2.629,332 3.632,333 0.4,334 7.502,335 2.595,336 4.012,337 2.82,338 5.42,339 3.607,340 2.619,341 3.614,342 0.4,343 7.171,344 2.586,345 3.723,346 5.356,347 2.393,348 3.065,350 6.95,351 3.423,352 4.95,353 3.073,354 2.107,355 2.706,357 5.706,358 2.025,359 3.364,360 4.886,361 3.014,362 2.05,363 2.607,365 5.652,366 1.969,367 3.091,368 2.686,369 1.714,370 2.255,372 4.761,373 1.656,374 2.713,375 1.431,376 3.912,377 1.776,378 3.086,379 1.226,380 2.647,381 1.296,382 3.481,383 2.155,384 1.172,385 1.712,386 2.586,387 1.147,388 2.5,389 1.202,390 3.451,391 2.065,392 1.11,393 1.5,394 2.493,395 1.056,396 2.271,397 1.09,398 3.414,399 2,400 1,401 1.246,402 2.275,403 1,404 1.526,405 1,406 2.989,407 1.291,408 0.352,409 0.396,410 0.646,411 0.328,412 1.412,413 0.532,414 2.791,415 1.086,416 0.131,417 0.153,418 0.279,419 0.123,420 1.325,421 0.297,422 2.467,423 0.969,428 1.022,429 -0.038,430 2.274,431 -0.304,432 -0.373,433 -0.691,434 -0.285,435 13.167,436 0.47,437 0.626,438 0.022,439 39,440 1.393,441 21,442 0.75,443 18,444 0.643,445 20.127,446 0.719,447 0.589,448 29.616,449 1.058,450 7.956,451 0.284,452 5.59,453 0.2,454 0.127,456 0.304,458 0.928,459 1.316,460 0.835,461 1.036,462 0.782,463 0.933,464 0.634,465 0.992,466 0.834,467 0.994,468 0.553,469 0.949,470 1.033,471 1.335,472 0.998,473 1.177,474 0.962,475 1.096,476 0.966,477 0.965,478 1.037,479 0.984,480 1.123,481 1.022,482 6.77}
{0 CHEMBL227803,1 1.236,2 82.091,3 28.755,4 1.131,5 2.348,7 1.074,9 317.497,10 2,11 10,12 12,13 6.471,14 33.911,15 26.313,16 0.232,18 4.227,19 0.642,20 33.622,21 1.414,22 1.414,23 0.334,24 43.151,25 5,26 7,27 4.598,28 423.486,29 1.353,30 1.452,31 2.078,32 26.024,33 7.132,34 0.81,35 4.754,36 4.994,37 1.775,38 1.77,39 0.975,40 3.978,41 5.665,42 16.88,43 11.429,44 5.459,45 6.417,47 6.009,48 4.131,49 2.699,50 0.972,51 13.919,52 0.142,53 0.212,54 0.099,55 10.682,56 11.966,57 4.826,58 2.839,59 3.899,60 4.906,61 2.451,62 9.3,63 4.748,64 1577,65 3.42,66 2.308,67 0.65,68 31.333,69 1.721,70 21161.8,71 148.854,72 31.151,73 27.843,74 3.711,75 2.058,76 16.807,77 116.138,78 33.805,79 0.276,80 2.047,81 -0.105,82 1.518,83 2.357,84 28675,85 -0.317,86 1.536,87 4.008,88 16.062,89 7.25,90 0.581,91 4.07,92 4.201,93 3.602,94 3.578,95 5.214,96 3.56,97 4.562,98 4.757,99 3.926,100 3.934,101 3.892,102 4.775,103 4.97,104 4.056,105 5.891,106 3.991,107 5.156,108 4.004,109 3.912,110 3.856,111 3.95,112 5.761,113 3.877,114 4.791,115 5.04,116 3.883,117 3.951,118 5.853,119 3.888,120 4.743,121 4.967,122 3.875,123 3.95,124 5.84,125 3.891,126 4.734,127 4.946,128 3.773,129 3.963,130 5.806,131 3.873,132 0.038,133 11.352,134 4.528,135 10.117,136 6.238,137 1.241,138 20.33,139 7.323,140 22.274,141 10.384,142 0.137,143 25.338,144 8.996,145 12.869,146 1.503,147 31.91,148 9.78,149 14.296,150 1.408,151 7.84,152 12.082,153 0.405,154 1.433,155 27.711,156 7.652,157 49.622,158 11.875,159 0.36,160 1.363,161 25.931,162 7.704,163 48.361,164 11.425,165 0.249,166 25.02,167 8.257,168 41.798,169 11.925,170 28,171 42,172 0.254,173 0.619,174 0.777,175 0.839,176 0.847,177 0.847,178 3.408,179 0.906,180 -4.48,181 -4.41,182 -4.15,184 40.7,185 1,186 1,188 2,189 1,192 8,193 3,194 1,196 1,197 1,201 1,211 2,212 4,215 3,216 6,222 5,223 7,225 4,226 4,228 3,229 1,230 6,232 3,235 4,239 3,240 2,242 12,244 2,246 3,248 3,251 10,253 1,254 3,255 1,259 8,263 4,265 4,270 2,272 2,274 2,276 6,278 19.223,279 19.223,280 19.223,281 19.223,282 19.223,283 19.594,284 15.284,285 15.284,286 15.284,287 15.284,288 15.284,289 11.732,290 15.874,291 4.219,292 2.012,293 1.056,294 0.686,295 0.635,296 0.635,297 4.088,300 1,301 728,302 3.674,305 1.767,308 1,309 1,310 1,311 0.8,312 0.5,313 1,314 1,315 0.9,316 62.5,317 347,318 4.416,319 3.689,320 6.581,321 4.054,322 3.083,323 4.039,324 1.2,325 10.339,326 2.996,327 4.032,328 2.946,329 5.677,330 3.634,331 2.652,332 3.633,333 0.4,334 7.684,335 2.605,336 4.012,337 2.82,338 5.448,339 3.609,340 2.623,341 3.614,342 0.4,343 7.209,344 2.587,345 3.801,346 5.409,347 2.49,348 3.133,349 0.293,350 7.116,351 3.438,352 5.156,353 3.111,354 2.162,355 2.709,357 6.102,358 2.048,359 3.396,360 4.887,361 3.035,362 2.079,363 2.642,365 5.688,366 1.978,367 3.187,368 2.838,369 1.873,370 2.382,372 5.18,373 1.799,374 2.789,375 1.941,376 4.275,377 1.894,378 3.76,379 1.329,380 2.65,381 1.431,382 3.482,383 2.166,384 1.177,385 1.721,386 2.591,387 1.163,388 2.5,389 1.296,390 3.475,391 2.119,392 1.167,393 1.5,394 2.566,395 1.106,396 2.317,397 1.201,398 3.414,399 2,400 1,401 1.289,402 2.275,403 1,404 2.165,405 1,406 3.263,407 1.755,408 0.753,409 0.972,410 1.703,411 0.742,412 1.447,413 0.535,414 2.905,415 1.119,416 0.161,417 0.191,418 0.374,419 0.153,420 1.326,421 0.304,422 2.745,423 0.988,424 0.037,425 0.047,426 0.1,427 0.035,428 1.022,429 -0.034,430 2.281,431 -0.3,432 -0.367,433 -0.691,434 -0.281,435 13.667,436 0.471,437 0.753,438 0.026,439 39.75,440 1.371,441 21,442 0.724,443 18.75,444 0.647,445 21.981,446 0.758,447 0.58,448 31.19,449 1.076,450 8.098,451 0.279,452 5.821,453 0.201,454 0.159,456 0.322,458 0.902,459 1.41,460 0.843,461 1.105,462 0.778,463 0.983,464 0.709,465 0.913,466 0.823,467 0.891,468 0.553,469 0.867,470 1.014,471 1.417,472 1.042,473 1.281,474 0.942,475 1.181,476 1.103,477 0.88,478 1.007,479 0.887,480 1.382,481 0.936,482 5.086}
{0 CHEMBL227804,1 0.93,2 63.068,3 24.18,4 1.129,5 2.202,7 1.181,9 279.808,10 2,11 9,12 10,13 6.471,14 42.923,15 26.074,16 0.333,18 4.227,19 0.528,20 41.239,21 1.224,22 1.224,23 0.354,24 37.451,25 5,26 7,27 3.079,28 395.153,29 0.974,30 1.229,31 1.578,32 21.648,33 6.834,34 0.691,35 4.557,36 4.813,37 1.674,38 1.674,39 1.206,40 3.821,41 5.604,42 15.173,43 10.663,44 5.114,45 5.806,47 5.819,48 4.124,49 2.592,50 0.886,51 12.614,52 0.156,53 0.23,54 0.108,55 9.539,56 11.692,57 4.67,58 2.687,59 3.734,60 4.63,61 2.418,62 11.1,63 3.716,64 1076,65 3.3,66 2.195,67 0.326,68 27.433,69 1.689,70 15492.4,71 129.263,72 26.462,73 25.55,74 3.662,75 2.049,76 14.015,77 101.304,78 29.224,79 0.218,80 2.038,81 -0.158,82 1.488,83 2.171,84 24778,85 -0.169,86 1.602,87 3.11,88 9.67,89 7.765,90 0.643,91 3.91,92 4.037,93 3.492,94 3.434,95 5.131,96 3.432,97 4.358,98 4.517,99 3.81,100 3.782,101 3.75,102 4.616,103 4.821,104 3.858,105 5.749,106 3.807,107 4.867,108 3.769,109 3.694,110 3.639,111 3.719,112 5.586,113 3.655,114 4.463,115 4.673,116 3.705,117 3.71,118 5.641,119 3.662,120 4.516,121 4.737,122 3.638,123 3.678,124 5.729,125 3.63,126 4.46,127 4.7,128 3.424,129 3.594,130 5.568,131 3.507,132 0.085,133 8.601,134 3.562,135 14.188,136 4.565,137 1.042,138 14.388,139 6.056,140 28.441,141 7.997,142 0.258,143 21.106,144 7.26,145 10.043,146 1.219,147 22.779,148 7.16,149 10.285,150 1.134,151 6.239,152 9.284,153 0.266,154 1.061,155 18.176,156 6.222,157 35.118,158 8.724,159 0.394,160 1.08,161 20.051,162 5.778,163 55.474,164 8.071,165 0.329,166 19.62,167 6.089,168 54.435,169 8.53,170 11,171 37,172 0.275,173 0.638,174 0.769,175 0.847,176 0.858,177 0.858,178 3.303,179 0.87,180 -3.81,181 -3.77,182 -3.58,184 42.2,186 1,189 1,192 9,193 2,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 3,214 1,215 4,216 7,217 1,222 5,223 6,225 2,226 4,227 2,228 4,229 2,230 5,231 1,232 2,235 4,239 3,240 2,242 9,244 1,245 1,246 5,247 1,248 2,249 2,251 8,253 1,254 5,255 1,257 2,259 3,263 5,265 4,267 2,270 1,272 2,274 3,276 6,277 1,278 17.568,279 17.568,280 17.568,281 17.568,282 17.568,283 17.83,284 13.844,285 13.844,286 13.844,287 13.844,288 13.844,289 10.334,290 14.304,291 3.89,292 1.772,293 1.006,294 0.55,295 0.489,296 0.489,297 3.988,299 1,300 1,301 645,302 3.162,305 1.74,307 1,308 1,309 1,310 1,311 0.6,313 1,314 1,315 0.8,316 56.5,317 304,318 4.376,319 3.541,320 6.437,321 3.987,322 3.019,323 4.018,324 0.98,325 9.913,326 2.929,327 4.012,328 2.894,329 5.422,330 3.608,331 2.621,332 3.614,333 0.4,334 7.167,335 2.587,336 3.878,337 2.815,338 5.403,339 3.464,340 2.486,341 3.429,342 0.4,343 7.052,344 2.43,345 3.698,346 5.313,347 2.367,348 3.04,350 6.863,351 3.421,352 4.888,353 3.062,354 2.098,355 2.705,357 5.691,358 2.011,359 3.172,360 4.705,361 2.76,362 1.792,363 2.351,365 4.809,366 1.721,367 2.849,368 2.389,369 1.4,370 1.977,372 3.035,373 1.38,374 2.664,375 1.33,376 3.576,377 1.691,378 2.798,379 1.154,380 2.5,381 1.291,382 3.436,383 2.025,384 1.054,385 1.5,386 2.418,387 1.016,388 2.5,389 1,390 3.414,391 2,392 1,393 1.5,394 2.275,395 1,396 2.266,397 1,398 3.247,399 2,400 1,401 1.233,402 2.136,403 1,404 1.453,405 0.543,406 2.865,407 1.138,408 0.189,409 0.223,410 0.445,411 0.178,412 1.326,413 0.343,414 2.763,415 1,416 0.061,417 0.075,418 0.158,419 0.057,420 1.009,421 0.078,422 2.27,423 0.648,424 -0.291,425 -0.352,426 -0.673,427 -0.27,428 0.716,429 -0.094,430 2.112,431 -0.625,432 -0.767,433 -1.446,434 -0.588,435 12.167,436 0.468,437 0.558,438 0.021,439 37.75,440 1.452,441 21,442 0.808,443 16.75,444 0.644,445 16.603,446 0.639,447 0.61,448 27.535,449 1.059,450 7.718,451 0.297,452 4.896,453 0.188,454 0.088,456 0.288,458 0.963,459 1.2,460 0.809,461 0.93,462 0.858,463 0.847,464 0.566,465 1.082,466 0.849,467 1.12,468 0.493,469 1.051,470 1.069,471 1.299,472 1.011,473 1.132,474 0.961,475 1.073,476 0.798,477 0.958,478 1.031,479 1.009,480 0.801,481 1.052,482 6.387}
{0 CHEMBL228018,1 0.94,2 70.36,3 26.97,4 1.129,5 2.358,7 0.999,8 1,9 303.626,10 3,11 9,12 11,13 6.471,14 51.399,15 30.367,16 0.448,18 4.227,19 0.6,20 49.144,21 1.414,22 1.414,23 0.331,24 41.855,25 5,26 8,27 4.101,28 437.357,29 1.082,30 1.288,31 2.035,32 26.95,33 7.146,34 0.719,35 4.659,36 4.904,37 1.67,38 1.668,39 1.195,40 4.06,41 5.668,42 16.043,43 10.949,44 5.217,45 6.167,46 2.1,47 5.923,48 4.336,49 2.708,50 0.965,51 13.707,52 0.146,53 0.215,54 0.101,55 10.282,56 11.893,57 4.779,58 2.862,59 3.925,60 4.745,61 2.561,62 10.4,63 4.573,64 1304,65 3.316,66 2.208,67 0.587,68 29.819,69 1.709,70 19364.9,71 142.674,72 28.714,73 27.115,74 3.718,75 2.053,76 15.994,77 111.15,78 31.579,79 0.252,80 2.044,81 -0.157,82 1.523,83 2.323,84 32224,85 -0.022,86 1.7,87 4.26,88 18.15,89 8.29,90 0.6,91 3.972,92 4.094,93 3.608,94 3.515,95 5.187,96 3.505,97 4.435,98 4.596,99 3.97,100 3.88,101 3.843,102 4.685,103 4.869,104 3.986,105 5.889,106 3.93,107 4.977,108 3.914,109 3.824,110 3.768,111 3.838,112 5.696,113 3.758,114 4.565,115 4.777,116 3.845,117 3.808,118 5.733,119 3.75,120 4.589,121 4.801,122 3.794,123 3.794,124 5.791,125 3.746,126 4.564,127 4.782,128 3.753,129 3.751,130 5.741,131 3.673,132 0.104,133 8.514,134 3.856,135 15.121,136 4.807,137 1.089,138 15.438,139 6.689,140 31.287,141 8.685,142 0.367,143 23.727,144 8.237,145 10.689,146 1.316,147 27.98,148 8.734,149 11.971,150 1.219,151 7.345,152 10.204,153 0.37,154 1.127,155 22.648,156 7.313,157 42.543,158 9.976,159 0.473,160 1.159,161 21.898,162 6.413,163 60.606,164 8.439,165 0.376,166 21.689,167 7.126,168 53.488,169 9.638,170 27,171 41,172 0.288,173 0.68,174 0.831,175 0.901,176 0.908,177 0.908,178 3.374,179 0.902,180 -4.26,181 -4.2,182 -3.97,184 41.7,185 1,186 1,189 1,192 7,193 3,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 3,214 1,215 4,216 6,217 1,222 6,223 7,225 2,226 4,227 2,228 4,229 2,230 6,231 1,232 5,235 4,239 2,240 2,242 10,244 1,245 1,246 6,247 1,248 3,249 2,251 6,253 1,254 5,255 1,257 2,259 7,263 7,265 4,267 3,270 1,272 2,274 2,276 5,277 1,278 18.516,279 18.516,280 18.516,281 18.516,282 18.516,283 18.884,284 14.795,285 14.795,286 14.795,287 14.795,288 14.795,289 11.131,290 15.49,291 3.885,292 1.569,293 0.675,294 0.266,295 0.224,296 0.224,297 4.055,298 1,300 1,301 701,302 3.317,305 1.773,308 1,309 1,310 1,311 0.6,313 1,314 1,315 0.8,316 60.833,317 333,318 4.378,319 3.542,320 6.437,321 3.99,322 3.021,323 4.021,324 0.98,325 9.916,326 2.931,327 4.214,328 3.211,329 5.95,330 3.767,331 2.829,332 3.869,333 0.4,334 8.322,335 2.649,336 4.023,337 2.918,338 5.525,339 3.61,340 2.623,341 3.631,342 0.4,343 7.463,344 2.591,345 3.701,346 5.345,347 2.382,348 3.042,350 6.894,351 3.514,352 5.202,353 3.159,354 2.199,355 2.819,357 6.402,358 2.075,359 3.354,360 4.889,361 3.007,362 2.035,363 2.597,365 5.556,366 1.968,367 3.054,368 2.629,369 1.652,370 2.208,372 4.54,373 1.603,374 2.82,375 1.927,376 4.043,377 1.949,378 3.527,379 1.221,380 2.686,381 1.43,382 3.704,383 2.212,384 1.246,385 1.74,386 2.831,387 1.202,388 2.642,389 1.292,390 3.481,391 2.15,392 1.171,393 1.685,394 2.585,395 1.14,396 2.266,397 1.202,398 3.453,399 2.025,400 1.054,401 1.234,402 2.426,403 1.016,404 1.512,405 0.679,406 2.945,407 1.188,408 0.272,409 0.32,410 0.618,411 0.237,412 1.381,413 0.403,414 2.831,415 1.016,416 0.081,417 0.1,418 0.213,419 0.074,420 1.116,421 0.225,422 2.38,423 0.77,424 -0.116,425 -0.135,426 -0.282,427 -0.094,428 0.92,429 0.068,430 2.327,431 -0.406,432 -0.509,433 -0.912,434 -0.393,435 13.381,436 0.478,437 0.753,438 0.027,439 39,440 1.393,441 21,442 0.75,443 18,444 0.643,445 20.913,446 0.747,447 0.621,448 29.443,449 1.052,450 7.847,451 0.28,452 5.572,453 0.199,454 0.17,456 0.336,458 0.897,459 1.209,460 0.665,461 0.872,462 0.838,463 0.827,464 0.561,465 1.03,466 0.669,467 0.958,468 0.486,469 0.928,470 0.971,471 1.342,472 0.945,473 1.163,474 0.896,475 1.103,476 0.8,477 0.984,478 0.982,479 1.006,480 0.784,481 1.046,482 7.347}
{0 CHEMBL228192,1 1.018,2 70.853,3 24.77,4 1.129,5 2.304,7 0.846,8 1,9 310.09,10 2,11 10,12 11,13 6.471,14 52.556,15 30.236,16 0.426,18 4.227,19 0.614,20 51.383,21 1.414,22 1.414,23 0.328,24 36.815,25 5,26 8,27 3.366,28 433.357,29 1.095,30 1.281,31 1.927,32 27.508,33 7.35,34 0.719,35 4.661,36 4.913,37 1.673,38 1.672,39 0.977,40 4.041,41 5.665,42 16.327,43 11.275,44 5.366,45 6.25,46 2.1,47 5.906,48 4.337,49 2.706,50 0.886,51 13.814,52 0.145,53 0.214,54 0.1,55 10.286,56 12.393,57 4.778,58 2.784,59 3.887,60 4.731,61 2.561,62 10.4,63 4.043,64 1346,65 3.316,66 2.208,67 0.596,68 29.819,69 1.709,70 19879.5,71 143.401,72 30.5,73 27.292,74 3.769,75 2.044,76 15.779,77 112.429,78 31.579,79 0.262,80 2.037,81 -0.144,82 1.497,83 2.323,84 33400,85 -0.035,86 1.7,87 3.616,88 13.077,89 8.29,90 0.6,91 3.972,92 4.094,93 3.608,94 3.515,95 5.181,96 3.505,97 4.437,98 4.597,99 3.953,100 3.879,101 3.838,102 4.697,103 4.891,104 3.976,105 5.874,106 3.913,107 4.963,108 3.887,109 3.794,110 3.723,111 3.808,112 5.661,113 3.716,114 4.564,115 4.789,116 3.769,117 3.765,118 5.702,119 3.703,120 4.54,121 4.754,122 3.8,123 3.783,124 5.717,125 3.732,126 4.566,127 4.78,128 3.797,129 3.758,130 5.781,131 3.7,132 0.104,133 8.514,134 3.856,135 15.462,136 4.807,137 1.091,138 15.321,139 6.617,140 31.183,141 8.554,142 0.367,143 24.711,144 8.568,145 11.251,146 1.298,147 27.5,148 8.392,149 11.472,150 1.198,151 7.654,152 10.736,153 0.478,154 1.108,155 23.508,156 6.806,157 56.519,158 9.231,159 0.373,160 1.106,161 20.983,162 6.705,163 47.588,164 9.025,165 0.43,166 21.743,167 6.704,168 60.627,169 8.952,170 18,171 40,172 0.288,173 0.656,174 0.792,175 0.87,176 0.889,177 0.889,178 3.374,179 0.906,180 -4.26,181 -4.2,182 -3.97,184 41.7,186 1,189 2,192 8,193 3,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 3,214 1,215 4,216 5,217 1,222 6,223 7,225 2,226 3,227 2,228 4,229 2,230 6,231 1,232 3,235 4,239 3,240 2,242 8,244 1,245 1,246 4,247 1,248 3,249 1,251 7,253 1,254 5,255 2,257 2,259 7,263 7,265 3,267 3,270 3,272 2,274 4,276 4,277 2,278 18.775,279 18.775,280 18.775,281 18.775,282 18.775,283 19.142,284 14.795,285 14.795,286 14.795,287 14.795,288 14.795,289 11.177,290 15.48,291 3.885,292 1.709,293 0.906,294 0.448,295 0.333,296 0.333,297 4.057,298 1,300 1,301 732,302 3.391,305 1.936,308 1,309 1,310 1,311 0.6,313 1,314 1,315 0.8,316 60.833,317 347,318 4.364,319 3.54,320 6.424,321 3.973,322 3.003,323 4.006,324 0.98,325 9.846,326 2.919,327 4.214,328 3.211,329 5.95,330 3.767,331 2.829,332 3.869,333 0.657,334 8.322,335 2.649,336 3.893,337 2.875,338 5.363,339 3.508,340 2.513,341 3.443,342 0.4,343 6.976,344 2.5,345 3.701,346 5.333,347 2.382,348 3.042,350 6.894,351 3.514,352 5.202,353 3.158,354 2.199,355 2.819,357 6.402,358 2.073,359 3.2,360 4.798,361 2.825,362 1.869,363 2.359,365 5.066,366 1.774,367 2.908,368 2.474,369 1.479,370 2.069,372 3.527,373 1.47,374 2.82,375 1.668,376 3.724,377 1.949,378 3.14,379 1.221,380 2.68,381 1.453,382 3.623,383 2.202,384 1.249,385 1.701,386 2.836,387 1.184,388 2.5,389 1.292,390 3.453,391 2.026,392 1.055,393 1.5,394 2.426,395 1.018,396 2.267,397 1,398 3.247,399 2,400 1,401 1.234,402 2.136,403 1,404 1.849,405 0.806,406 3.121,407 1.55,408 0.614,409 0.733,410 1.441,411 0.573,412 1.501,413 0.678,414 2.832,415 1.184,416 0.27,417 0.317,418 0.614,419 0.235,420 1.193,421 0.342,422 2.418,423 0.822,424 -0.076,425 -0.09,426 -0.179,427 -0.062,428 0.931,429 0.159,430 2.38,431 -0.338,432 -0.406,433 -0.842,434 -0.302,435 13.381,436 0.478,437 0.647,438 0.023,439 39,440 1.393,441 21,442 0.75,443 18,444 0.643,445 20.206,446 0.722,447 0.621,448 29.111,449 1.04,450 7.937,451 0.283,452 5.588,453 0.2,454 0.133,456 0.299,458 0.897,459 1.209,460 0.665,461 0.872,462 0.828,463 0.827,464 0.606,465 1.017,466 0.725,467 0.983,468 0.516,469 0.978,470 0.91,471 1.327,472 0.907,473 1.155,474 0.858,475 1.085,476 0.868,477 0.979,478 1.046,479 1.027,480 0.833,481 1.091,482 7.678}
{0 CHEMBL374380,1 1.013,2 66.674,3 24.405,4 1.13,5 2.295,7 0.955,9 297.907,10 1,11 11,12 12,13 6.471,14 44.174,15 26.376,16 0.316,18 4.227,19 0.542,20 41.224,21 1.249,22 1.249,23 0.34,24 35.799,25 5,26 7,27 3.439,28 399.153,29 1.109,30 1.303,31 1.668,32 24.207,33 7.186,34 0.73,35 4.649,36 4.915,37 1.678,38 1.679,39 0.96,40 3.852,41 5.637,42 15.88,43 11.109,44 5.313,45 6.056,47 5.863,48 4.188,49 2.693,50 0.886,51 13.114,52 0.15,53 0.222,54 0.104,55 9.921,56 12.296,57 4.723,58 2.687,59 3.751,60 4.72,61 2.439,62 10.4,63 3.724,64 1270,65 3.301,66 2.198,67 0.533,68 28.733,69 1.699,70 17814,71 136.609,72 29.594,73 26.516,74 3.742,75 2.046,76 14.722,77 107.624,78 30.751,79 0.231,80 2.039,81 -0.141,82 1.481,83 2.202,84 27193,85 -0.172,86 1.579,87 2.952,88 8.713,89 7.572,90 0.621,91 3.966,92 4.095,93 3.527,94 3.489,95 5.161,96 3.48,97 4.43,98 4.598,99 3.837,100 3.843,101 3.801,102 4.684,103 4.893,104 3.929,105 5.782,106 3.863,107 4.964,108 3.837,109 3.746,110 3.633,111 3.766,112 5.616,113 3.679,114 4.554,115 4.79,116 3.677,117 3.737,118 5.658,119 3.677,120 4.533,121 4.755,122 3.728,123 3.755,124 5.696,125 3.707,126 4.558,127 4.782,128 3.634,129 3.733,130 5.726,131 3.669,132 0.075,133 9.544,134 3.896,135 13.981,136 5.131,137 1.107,138 16.292,139 6.601,140 30.313,141 8.896,142 0.219,143 23.054,144 8.134,145 11.451,146 1.313,147 25.444,148 7.866,149 11.544,150 1.211,151 7.04,152 10.75,153 0.37,154 1.122,155 21.413,156 6.45,157 49.493,158 9.373,159 0.302,160 1.115,161 20.417,162 6.393,163 44.069,164 9.204,165 0.311,166 21.188,167 6.499,168 54.423,169 9.184,170 11,171 38,172 0.267,173 0.624,174 0.758,175 0.837,176 0.861,177 0.861,178 3.339,179 0.888,180 -4.04,181 -3.99,182 -3.78,184 41.7,186 1,189 2,192 9,193 3,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 3,214 1,215 4,216 6,217 1,222 5,223 7,225 2,226 3,227 2,228 4,229 2,230 6,231 1,232 1,235 4,239 4,240 2,242 8,244 1,245 1,246 3,247 1,248 3,249 1,251 9,253 1,254 5,255 2,257 2,259 5,263 7,265 3,267 3,270 3,272 2,274 5,276 5,277 2,278 18.275,279 18.275,280 18.275,281 18.275,282 18.275,283 18.536,284 14.327,285 14.327,286 14.327,287 14.327,288 14.327,289 10.791,290 14.776,291 4.006,292 1.901,293 1.11,294 0.641,295 0.5,296 0.5,297 4.024,299 1,300 1,301 703,302 3.317,305 1.915,307 1,308 1,309 1,310 1,311 0.6,313 1,314 1,315 0.8,316 58.5,317 332,318 4.364,319 3.54,320 6.424,321 3.973,322 3.003,323 4.006,324 0.98,325 9.846,326 2.919,327 4.012,328 2.88,329 5.419,330 3.608,331 2.621,332 3.614,333 0.657,334 7.167,335 2.586,336 3.893,337 2.815,338 5.357,339 3.508,340 2.513,341 3.443,342 0.4,343 6.976,344 2.5,345 3.698,346 5.327,347 2.368,348 3.041,350 6.87,351 3.421,352 4.889,353 3.063,354 2.099,355 2.705,357 5.692,358 2.013,359 3.2,360 4.797,361 2.824,362 1.868,363 2.359,365 5.066,366 1.773,367 2.908,368 2.474,369 1.479,370 2.069,372 3.14,373 1.47,374 2.68,375 1.453,376 3.623,377 1.701,378 2.835,379 1.184,380 2.5,381 1.296,382 3.436,383 2.026,384 1.055,385 1.5,386 2.418,387 1.018,388 2.5,389 1,390 3.414,391 2,392 1,393 1.5,394 2.275,395 1,396 2.266,397 1,398 3.247,399 2,400 1,401 1.234,402 2.136,403 1,404 1.849,405 0.806,406 3.121,407 1.55,408 0.614,409 0.733,410 1.441,411 0.573,412 1.409,413 0.535,414 2.767,415 1.128,416 0.181,417 0.211,418 0.423,419 0.17,420 1.102,421 0.239,422 2.417,423 0.733,424 -0.217,425 -0.265,426 -0.506,427 -0.203,428 0.866,429 -0.079,430 2.235,431 -0.416,432 -0.498,433 -1.006,434 -0.392,435 12.667,436 0.469,437 0.558,438 0.021,439 38.25,440 1.417,441 21,442 0.778,443 17.25,444 0.639,445 18.052,446 0.669,447 0.599,448 28.13,449 1.042,450 7.849,451 0.291,452 5.265,453 0.195,454 0.084,456 0.276,458 0.955,459 1.214,460 0.829,461 0.959,462 0.85,463 0.878,464 0.603,465 1.027,466 0.887,467 1.085,468 0.503,469 1.041,470 0.996,471 1.327,472 1.001,473 1.183,474 0.93,475 1.111,476 0.819,477 0.982,478 1.074,479 1.041,480 0.802,481 1.088,482 7.056}
{0 CHEMBL374977,1 1.038,2 71.228,3 31.301,4 1.131,5 2.349,7 1.231,9 331.31,10 2,11 10,12 13,13 6.471,14 55.045,15 27.327,16 0.377,18 4.227,19 0.572,20 42.235,21 1.606,22 1.606,23 0.315,24 49.18,25 5,26 7,27 4.556,28 422.174,29 1.423,30 1.558,31 2.237,32 28.54,33 7.316,34 0.847,35 4.817,36 5.053,37 1.838,38 1.846,39 1.35,40 3.983,41 5.717,42 17.51,43 11.937,44 5.739,45 6.639,47 6.024,48 4.137,49 2.696,50 1.031,51 14.402,52 0.137,53 0.203,54 0.095,55 11.067,56 12.1,57 4.873,58 2.86,59 3.946,60 4.939,61 2.449,62 8.8,63 4.731,64 1788,65 3.378,66 2.279,67 0.668,68 32.633,69 1.731,70 23592.3,71 155.84,72 34.107,73 28.666,74 3.744,75 2.057,76 17.438,77 120.408,78 35.331,79 0.239,80 2.047,81 -0.112,82 1.508,83 2.583,84 30338,85 -0.146,86 1.517,87 4.528,88 20.504,89 7.115,90 0.563,91 4.118,92 4.252,93 3.629,94 3.632,95 5.243,96 3.607,97 4.616,98 4.806,99 3.959,100 3.989,101 3.935,102 4.87,103 5.09,104 4.097,105 5.923,106 4.021,107 5.199,108 4.041,109 3.945,110 3.878,111 3.99,112 5.864,113 3.922,114 4.784,115 5.004,116 3.977,117 4.013,118 5.878,119 3.952,120 4.88,121 5.125,122 3.919,123 4.02,124 5.965,125 3.961,126 4.8,127 5.023,128 3.841,129 4.021,130 5.836,131 3.927,132 0.053,133 12.282,134 4.881,135 10.836,136 6.786,137 1.305,138 21.577,139 8.147,140 26.519,141 11.578,142 0.243,143 29.103,144 9.465,145 14.047,146 1.556,147 32.88,148 10.312,149 15.389,150 1.44,151 8.191,152 12.378,153 0.26,154 1.466,155 26.638,156 8.418,157 40.038,158 12.765,159 0.537,160 1.553,161 30.812,162 7.556,163 63.782,164 12.015,165 0.238,166 27.233,167 9.199,168 42.284,169 13.465,170 29,171 43,172 0.248,173 0.614,174 0.785,175 0.849,176 0.856,177 0.856,178 3.44,179 0.932,180 -4.69,181 -4.61,182 -4.33,184 40.4,185 3,186 1,189 1,190 1,192 8,193 3,194 1,196 1,197 1,201 1,211 1,212 3,215 4,216 9,222 5,223 7,225 2,226 6,228 4,229 2,230 6,232 5,235 4,239 3,240 2,242 14,244 1,245 1,246 7,248 3,251 8,253 1,254 5,255 1,259 5,263 9,265 8,270 1,272 2,274 3,276 10,278 19.878,279 19.878,280 19.878,281 19.878,282 19.878,283 20.209,284 15.82,285 15.82,286 15.82,287 15.82,288 15.82,289 12.264,290 16.368,291 4.316,292 2.08,293 1.035,294 0.649,295 0.601,296 0.601,297 4.121,300 1,301 759,302 3.808,305 1.833,308 1,309 1,310 1,311 0.8,312 0.5,313 1,314 1,315 0.9,316 64.5,317 363,318 4.393,319 3.602,320 6.481,321 4.015,322 3.045,323 4.028,324 1.058,325 10.095,326 2.959,327 4.027,328 2.932,329 5.552,330 3.62,331 2.634,332 3.632,333 0.4,334 7.533,335 2.598,336 4.012,337 2.82,338 5.421,339 3.608,340 2.622,341 3.614,342 0.4,343 7.175,344 2.587,345 3.745,346 5.371,347 2.443,348 3.078,350 7.01,351 3.429,352 5.025,353 3.13,354 2.18,355 2.707,357 5.916,358 2.065,359 3.385,360 4.887,361 3.044,362 2.086,363 2.619,365 5.687,366 1.988,367 3.199,368 2.95,369 1.972,370 2.346,372 5.226,373 1.925,374 2.929,375 2.029,376 4.44,377 2.008,378 4.316,379 1.56,380 2.664,381 1.431,382 3.76,383 2.208,384 1.241,385 1.728,386 2.88,387 1.2,388 2.629,389 1.296,390 3.481,391 2.15,392 1.171,393 1.625,394 2.585,395 1.14,396 2.5,397 1.202,398 3.444,399 2.024,400 1.052,401 1.5,402 2.451,403 1.016,404 2.265,405 1,406 3.414,407 2,408 1,409 1.231,410 2.275,411 1,412 1.455,413 0.549,414 2.969,415 1.146,416 0.199,417 0.233,418 0.48,419 0.187,420 1.326,421 0.4,422 2.781,423 1.006,424 0.069,425 0.084,426 0.184,427 0.065,428 1.022,429 0.218,430 2.396,431 -0.272,432 -0.324,433 -0.644,434 -0.253,435 14.167,436 0.472,437 0.77,438 0.026,439 40,440 1.333,441 21,442 0.7,443 19,444 0.633,445 24.571,446 0.819,447 0.573,448 30.925,449 1.031,450 7.889,451 0.263,452 6.513,453 0.217,454 0.153,456 0.318,458 0.919,459 1.332,460 0.872,461 1.076,462 0.798,463 0.979,464 0.593,465 1.099,466 0.829,467 1.058,468 0.517,469 0.988,470 1.118,471 1.272,472 1.056,473 1.127,474 0.988,475 1.081,476 0.856,477 0.916,478 0.89,479 0.919,480 0.972,481 0.914,482 5.959}
{0 CHEMBL376085,1 0.935,2 65.916,3 26.605,4 1.13,5 2.344,7 1.181,9 291.541,10 2,11 10,12 12,13 6.471,14 43.311,15 26.501,16 0.341,18 4.227,19 0.525,20 39.734,21 1.246,22 1.246,23 0.342,24 40.839,25 5,26 7,27 4.189,28 403.153,29 1.096,30 1.31,31 2.035,32 23.886,33 6.977,34 0.73,35 4.647,36 4.906,37 1.675,38 1.675,39 1.176,40 3.874,41 5.641,42 15.596,43 10.783,44 5.164,45 5.972,47 5.88,48 4.135,49 2.692,50 0.965,51 13.008,52 0.151,53 0.222,54 0.104,55 9.917,56 11.815,57 4.724,58 2.768,59 3.794,60 4.734,61 2.446,62 10.4,63 4.573,64 1231,65 3.301,66 2.199,67 0.577,68 28.733,69 1.7,70 17330.3,71 135.869,72 27.844,73 26.338,74 3.691,75 2.054,76 14.938,77 106.345,78 30.751,79 0.22,80 2.045,81 -0.154,82 1.506,83 2.212,84 26129,85 -0.163,86 1.579,87 3.596,88 12.93,89 7.572,90 0.621,91 3.966,92 4.095,93 3.527,94 3.489,95 5.166,96 3.48,97 4.427,98 4.597,99 3.856,100 3.844,101 3.807,102 4.672,103 4.871,104 3.939,105 5.799,106 3.88,107 4.978,108 3.865,109 3.778,110 3.681,111 3.798,112 5.653,113 3.723,114 4.554,115 4.779,116 3.76,117 3.781,118 5.69,119 3.725,120 4.582,121 4.802,122 3.721,123 3.767,124 5.772,125 3.721,126 4.557,127 4.783,128 3.582,129 3.726,130 5.683,131 3.641,132 0.075,133 9.544,134 3.896,135 13.796,136 5.131,137 1.105,138 16.299,139 6.66,140 30.021,141 8.999,142 0.223,143 22.38,144 7.845,145 10.964,146 1.331,147 25.796,148 8.201,149 12.01,150 1.232,151 6.779,152 10.303,153 0.261,154 1.142,155 20.732,156 6.983,157 37.681,158 10.078,159 0.4,160 1.166,161 21.634,162 6.092,163 56.117,164 8.725,165 0.257,166 21.072,167 6.918,168 47.493,169 9.812,170 18,171 39,172 0.267,173 0.649,174 0.799,175 0.87,176 0.879,177 0.879,178 3.339,179 0.883,180 -4.04,181 -3.99,182 -3.78,184 41.7,185 1,186 1,189 1,192 8,193 3,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 3,214 1,215 4,216 7,217 1,222 5,223 7,225 2,226 4,227 2,228 4,229 2,230 6,231 1,232 3,235 4,239 3,240 2,242 10,244 1,245 1,246 5,247 1,248 3,249 2,251 8,253 1,254 5,255 1,257 2,259 5,263 7,265 4,267 3,270 1,272 2,274 3,276 6,277 1,278 18.016,279 18.016,280 18.016,281 18.016,282 18.016,283 18.277,284 14.327,285 14.327,286 14.327,287 14.327,288 14.327,289 10.745,290 14.786,291 4.006,292 1.754,293 0.865,294 0.448,295 0.391,296 0.391,297 4.022,299 1,300 1,301 674,302 3.24,305 1.775,307 1,308 1,309 1,310 1,311 0.6,313 1,314 1,315 0.8,316 58.5,317 319,318 4.378,319 3.542,320 6.437,321 3.99,322 3.021,323 4.021,324 0.98,325 9.916,326 2.931,327 4.024,328 2.92,329 5.525,330 3.613,331 2.627,332 3.631,333 0.4,334 7.463,335 2.591,336 4.011,337 2.82,338 5.418,339 3.605,340 2.617,341 3.614,342 0.4,343 7.167,344 2.586,345 3.698,346 5.334,347 2.368,348 3.041,350 6.87,351 3.421,352 4.897,353 3.066,354 2.1,355 2.705,357 5.693,358 2.018,359 3.353,360 4.88,361 3.004,362 2.033,363 2.597,365 5.554,366 1.965,367 3.054,368 2.629,369 1.652,370 2.208,372 4.539,373 1.603,374 2.686,375 1.431,376 3.704,377 1.74,378 2.83,379 1.203,380 2.642,381 1.296,382 3.481,383 2.15,384 1.171,385 1.685,386 2.585,387 1.14,388 2.5,389 1.202,390 3.436,391 2.025,392 1.054,393 1.5,394 2.418,395 1.016,396 2.266,397 1,398 3.414,399 2,400 1,401 1.233,402 2.275,403 1,404 1.453,405 0.543,406 2.944,407 1.138,408 0.189,409 0.223,410 0.446,411 0.178,412 1.326,413 0.345,414 2.765,415 1,416 0.061,417 0.075,418 0.163,419 0.057,420 1.022,421 0.079,422 2.283,423 0.655,424 -0.289,425 -0.35,426 -0.67,427 -0.269,428 0.899,429 -0.094,430 2.156,431 -0.414,432 -0.516,433 -0.938,434 -0.411,435 12.667,436 0.469,437 0.664,438 0.025,439 38.25,440 1.417,441 21,442 0.778,443 17.25,444 0.639,445 18.736,446 0.694,447 0.599,448 28.466,449 1.054,450 7.759,451 0.287,452 5.249,453 0.194,454 0.124,456 0.316,458 0.955,459 1.214,460 0.829,461 0.959,462 0.861,463 0.878,464 0.551,465 1.04,466 0.807,467 1.059,468 0.471,469 0.991,470 1.065,471 1.342,472 1.05,473 1.191,474 0.971,475 1.13,476 0.744,477 0.987,478 0.99,479 1.02,480 0.752,481 1.043,482 6.721}
{0 CHEMBL387668,1 0.914,2 81.798,3 26.99,4 1.137,5 2.357,6 13.391,7 1.163,8 1,9 303.626,10 3,11 9,12 10,13 7.437,14 69.458,15 36.54,16 0.534,17 1,18 19.187,19 0.664,20 71.652,21 1.414,22 1.414,23 0.331,24 41.892,25 5,26 8,27 2.275,28 497.265,29 1.172,30 1.44,31 2.035,32 24.355,33 7.146,34 0.797,35 4.665,36 4.918,37 1.676,38 1.671,39 1.018,40 3.975,41 5.716,42 16.043,43 10.949,44 5.217,45 6.167,46 2.1,47 5.978,48 4.536,49 2.708,50 0.965,51 13.008,52 0.146,53 0.215,54 0.101,55 10.33,56 11.893,57 4.779,58 2.812,59 3.865,60 4.751,61 2.559,62 10.4,63 4.573,64 1304,65 3.318,66 2.22,67 0.588,68 30.248,69 1.709,70 19364.9,71 142.674,72 28.714,73 27.115,74 3.718,75 2.054,76 15.238,77 106.561,78 31.134,79 0.278,80 2.044,81 -0.123,82 1.523,83 2.359,84 32224,85 -0.089,86 1.7,87 3.801,88 14.451,89 7.947,90 0.6,91 3.976,92 4.101,93 3.57,94 3.487,95 5.222,96 3.492,97 4.439,98 4.604,99 3.917,100 3.842,101 3.824,102 4.692,103 4.882,104 3.936,105 5.998,106 3.904,107 4.988,108 3.862,109 3.799,110 3.727,111 3.795,112 5.753,113 3.739,114 4.571,115 4.789,116 3.805,117 3.779,118 5.788,119 3.736,120 4.593,121 4.808,122 3.76,123 3.765,124 5.822,125 3.733,126 4.569,127 4.791,128 3.675,129 3.724,130 5.813,131 3.656,132 0.124,133 8.847,134 3.925,135 17.61,136 4.84,137 1.208,138 15.537,139 6.711,140 34.742,141 8.571,142 0.486,143 22.136,144 7.91,145 10.375,146 1.427,147 25.983,148 8.262,149 11.401,150 1.311,151 6.835,152 9.652,153 0.458,154 1.224,155 20.832,156 7.009,157 54.409,158 9.677,159 0.525,160 1.207,161 21.302,162 6.119,163 69.77,164 8.298,165 0.466,166 20.928,167 6.909,168 65.159,169 9.645,170 27,171 41,172 0.288,173 0.68,174 0.831,175 0.901,176 0.908,177 0.908,178 3.374,179 0.864,180 -4.15,181 -4.09,182 -3.87,184 41.7,185 1,186 1,189 1,192 7,193 3,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 3,214 1,215 4,216 6,217 1,222 5,223 5,225 2,226 4,227 2,228 4,229 2,230 6,231 1,232 3,235 4,239 2,240 2,242 10,244 1,245 1,246 5,247 1,248 3,249 2,251 6,253 1,254 5,255 1,257 2,259 5,263 7,265 4,267 3,270 1,272 2,274 2,276 5,277 1,278 18.516,279 18.516,280 18.516,281 18.516,282 18.516,283 18.823,284 14.795,285 14.795,286 14.795,287 14.795,288 14.795,289 11.131,290 15.358,291 3.885,292 1.569,293 0.675,294 0.266,295 0.224,296 0.224,297 4.055,299 1,300 1,301 701,302 3.317,305 1.773,308 1,309 1,310 1,311 0.6,313 1,314 1,315 0.8,316 62,317 333,318 4.378,319 3.542,320 6.437,321 3.99,322 3.021,323 4.021,324 0.98,325 9.916,326 2.931,327 4.214,328 3.198,329 5.95,330 3.788,331 2.829,332 3.869,333 0.4,334 8.322,335 2.71,336 4.023,337 2.918,338 5.525,339 3.61,340 2.623,341 3.631,342 0.4,343 7.463,344 2.591,345 3.701,346 5.345,347 2.382,348 3.042,350 6.894,351 3.514,352 5.202,353 3.168,354 2.199,355 2.819,357 6.402,358 2.112,359 3.354,360 4.889,361 3.007,362 2.035,363 2.597,365 5.556,366 1.969,367 3.054,368 2.629,369 1.652,370 2.208,372 4.54,373 1.603,374 2.82,375 1.912,376 4.043,377 1.949,378 3.527,379 1.321,380 2.686,381 1.43,382 3.704,383 2.212,384 1.246,385 1.74,386 2.831,387 1.202,388 2.642,389 1.292,390 3.481,391 2.15,392 1.171,393 1.685,394 2.585,395 1.14,396 2.266,397 1.202,398 3.453,399 2.025,400 1.054,401 1.234,402 2.426,403 1.016,404 1.512,405 0.677,406 2.945,407 1.199,408 0.272,409 0.32,410 0.618,411 0.248,412 1.381,413 0.401,414 2.831,415 1.02,416 0.081,417 0.1,418 0.213,419 0.075,420 1.116,421 0.22,422 2.38,423 0.798,424 -0.116,425 -0.135,426 -0.282,427 -0.105,428 0.92,429 0.067,430 2.327,431 -0.406,432 -0.509,433 -0.912,434 -0.401,435 12.952,436 0.463,437 0.753,438 0.027,439 39,440 1.393,441 21,442 0.75,443 18,444 0.643,445 20.068,446 0.717,447 0.63,448 30.287,449 1.082,450 7.978,451 0.285,452 5.441,453 0.194,454 0.143,456 0.347,458 0.809,459 1.109,460 0.77,461 0.959,462 0.731,463 0.865,464 0.57,465 1.009,466 0.745,467 1.06,468 0.517,469 0.973,470 0.926,471 1.271,472 0.997,473 1.189,474 0.845,475 1.124,476 0.833,477 0.979,478 1.005,479 1.019,480 0.835,481 1.05,482 7.194}
{0 CHEMBL388357,1 0.946,2 69.551,3 29.524,4 1.132,5 2.357,7 1.091,9 316.269,10 3,11 9,12 10,13 6.47,14 58.518,15 30.601,16 0.512,18 4.227,19 0.594,20 44.903,21 1.531,22 1.531,23 0.32,24 45.776,25 5,26 8,27 4.304,28 458.889,29 1.186,30 1.373,31 2.035,32 28.137,33 7.359,34 0.776,35 4.801,36 5.047,37 1.687,38 1.684,39 1.171,40 4.001,41 5.717,42 16.965,43 11.47,44 5.367,45 6.5,47 5.997,48 4.371,49 2.707,50 1.107,51 13.957,52 0.141,53 0.208,54 0.097,55 10.655,56 12,57 4.83,58 2.863,59 3.933,60 4.829,61 2.556,62 9.6,63 4.573,64 1444,65 3.323,66 2.231,67 0.669,68 31.5,69 1.718,70 21670.2,71 149.678,72 29.938,73 27.928,74 3.757,75 2.055,76 16.269,77 112.808,78 32.993,79 0.316,80 2.045,81 -0.149,82 1.522,83 2.464,84 32327,85 -0.056,86 1.611,87 3.58,88 12.813,89 7.567,90 0.581,91 4.049,92 4.173,93 3.607,94 3.539,95 5.251,96 3.538,97 4.521,98 4.691,99 3.934,100 3.888,101 3.864,102 4.731,103 4.913,104 4.002,105 5.905,106 3.962,107 5.056,108 3.971,109 3.9,110 3.79,111 3.927,112 5.823,113 3.852,114 4.71,115 4.939,116 3.837,117 3.897,118 5.804,119 3.825,120 4.722,121 4.958,122 3.791,123 3.854,124 5.853,125 3.798,126 4.67,127 4.906,128 3.696,129 3.797,130 5.788,131 3.716,132 0.096,133 10.479,134 4.282,135 14.699,136 5.583,137 1.161,138 18.609,139 7.188,140 35.632,141 9.545,142 0.363,143 23.582,144 8.221,145 11.407,146 1.434,147 28.035,148 8.968,149 12.861,150 1.371,151 7.964,152 11.785,153 0.395,154 1.279,155 24.736,156 8.292,157 45.143,158 12.057,159 0.495,160 1.28,161 25.676,162 7.148,163 63.361,164 10.585,165 0.426,166 24.252,167 7.525,168 55.328,169 11.036,170 30,171 42,172 0.269,173 0.659,174 0.831,175 0.894,176 0.9,177 0.9,178 3.407,179 0.877,180 -3.51,181 -3.49,182 -3.33,184 40.4,185 1,186 1,188 1,189 1,192 7,193 3,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 4,214 1,215 4,216 6,217 1,219 2,221 1,222 5,223 5,225 2,226 6,227 2,228 4,229 2,230 6,231 1,232 3,235 4,239 2,240 2,242 10,244 2,245 1,246 5,247 1,248 3,249 2,251 6,253 1,254 5,255 1,257 2,258 2,259 5,263 7,265 4,267 3,270 1,272 2,274 2,276 5,277 1,278 19.386,279 19.386,280 19.386,281 19.386,282 19.386,283 19.813,284 15.233,285 15.233,286 15.233,287 15.233,288 15.233,289 11.558,290 15.863,291 4.089,292 1.748,293 0.715,294 0.337,295 0.298,296 0.298,297 4.089,300 1,301 730,302 3.464,305 1.793,308 1,309 1,310 1,311 0.6,313 1,314 1,315 0.8,316 63.5,317 348,318 4.378,319 3.542,320 6.437,321 3.99,322 3.021,323 4.021,324 0.98,325 9.916,326 2.931,327 4.241,328 3.147,329 6.069,330 3.826,331 2.866,332 3.89,333 0.86,334 8.757,335 2.751,336 4.023,337 2.918,338 5.525,339 3.61,340 2.623,341 3.631,342 0.4,343 7.463,344 2.591,345 3.702,346 5.346,347 2.385,348 3.042,349 0.4,350 6.898,351 3.528,352 5.216,353 3.186,354 2.217,355 2.834,357 6.491,358 2.132,359 3.354,360 4.889,361 3.007,362 2.035,363 2.597,365 5.556,366 1.97,367 3.054,368 2.629,369 1.652,370 2.208,372 4.54,373 1.603,374 2.884,375 1.982,376 4.206,377 2.021,378 3.837,379 1.42,380 2.686,381 1.43,382 3.704,383 2.212,384 1.246,385 1.74,386 2.832,387 1.202,388 2.642,389 1.293,390 3.481,391 2.15,392 1.171,393 1.685,394 2.585,395 1.14,396 2.267,397 1.202,398 3.453,399 2.025,400 1.054,401 1.234,402 2.427,403 1.016,404 1.735,405 0.941,406 2.945,407 1.427,408 0.539,409 0.625,410 0.942,411 0.473,412 1.434,413 0.578,414 2.891,415 1.112,416 0.173,417 0.202,418 0.384,419 0.161,420 1.299,421 0.362,422 2.786,423 0.994,424 0.06,425 0.073,426 0.154,427 0.056,428 1.02,429 0.091,430 2.328,431 -0.256,432 -0.301,433 -0.548,434 -0.234,435 13.5,436 0.466,437 0.715,438 0.025,439 40.25,440 1.388,441 21.5,442 0.741,443 18.75,444 0.647,445 21.368,446 0.737,447 0.606,448 31.429,449 1.084,450 8.259,451 0.285,452 5.698,453 0.196,454 0.153,456 0.333,458 0.955,459 1.281,460 0.823,461 1.041,462 0.865,463 0.918,464 0.795,465 0.982,466 0.801,467 0.971,468 0.545,469 0.906,470 0.966,471 1.361,472 1.002,473 1.196,474 0.92,475 1.117,476 0.839,477 1.043,478 1.017,479 1.078,480 0.814,481 1.084,482 6.18}
{0 CHEMBL389452,1 1.064,2 68.319,3 29.72,4 1.131,5 2.345,7 1.181,9 317.914,10 2,11 10,12 12,13 6.471,14 45.617,15 26.525,16 0.321,18 4.227,19 0.545,20 39.578,21 1.338,22 1.338,23 0.325,24 44.18,25 5,26 7,27 4.568,28 416.174,29 1.323,30 1.451,31 2.039,32 26.716,33 7.204,34 0.809,35 4.761,36 5.003,37 1.784,38 1.793,39 1.213,40 3.949,41 5.679,42 17.225,43 11.892,44 5.619,45 6.556,47 5.961,48 4.132,49 2.694,50 1.025,51 14.046,52 0.142,53 0.209,54 0.098,55 10.687,56 12,57 4.825,58 2.858,59 3.897,60 4.836,61 2.447,62 9.3,63 4.647,64 1600,65 3.333,66 2.229,67 0.659,68 31.333,69 1.721,70 21380.6,71 149.135,72 31.983,73 27.903,74 3.727,75 2.056,76 16.567,77 115.99,78 33.805,79 0.232,80 2.047,81 -0.105,82 1.498,83 2.283,84 28867,85 -0.193,86 1.536,87 4.151,88 17.227,89 7.25,90 0.581,91 4.07,92 4.202,93 3.597,94 3.585,95 5.209,96 3.565,97 4.558,98 4.745,99 3.914,100 3.935,101 3.885,102 4.798,103 5.017,104 4.031,105 5.866,106 3.964,107 5.077,108 3.972,109 3.888,110 3.826,111 3.935,112 5.781,113 3.864,114 4.733,115 4.962,116 3.903,117 3.944,118 5.821,119 3.883,120 4.778,121 5.014,122 3.862,123 3.945,124 5.88,125 3.888,126 4.728,127 4.949,128 3.765,129 3.94,130 5.781,131 3.848,132 0.047,133 11.372,134 4.547,135 10.336,136 6.241,137 1.237,138 19.971,139 7.574,140 24.94,141 10.649,142 0.211,143 26.817,144 8.868,145 12.978,146 1.447,147 29.114,148 9.139,149 13.407,150 1.38,151 7.745,152 11.772,153 0.283,154 1.376,155 25.395,156 7.869,157 41.108,158 11.859,159 0.45,160 1.409,161 27.332,162 7.234,163 56.758,164 11.044,165 0.232,166 25.124,167 8.387,168 41.962,169 12.16,170 20,171 41,172 0.254,173 0.62,174 0.792,175 0.872,176 0.88,177 0.88,178 3.408,179 0.925,180 -4.48,181 -4.41,182 -4.15,184 40.7,185 2,186 1,189 2,192 8,193 3,194 1,196 1,197 1,201 1,211 1,212 3,215 4,216 8,222 5,223 7,225 2,226 5,228 4,229 2,230 6,232 4,235 4,239 3,240 2,242 12,244 1,245 1,246 6,248 3,251 8,253 1,254 5,255 1,259 5,263 8,265 6,270 1,272 2,274 3,276 8,278 19.593,279 19.593,280 19.593,281 19.593,282 19.593,283 19.951,284 15.286,285 15.286,286 15.286,287 15.286,288 15.286,289 11.719,290 15.833,291 4.219,292 2.006,293 0.968,294 0.486,295 0.435,296 0.435,297 4.091,300 1,301 730,302 3.536,305 1.793,308 1,309 1,310 1,311 0.8,312 0.5,313 1,314 1,315 0.9,316 62.5,317 348,318 4.39,319 3.591,320 6.475,321 4.008,322 3.038,323 4.027,324 1.058,325 10.073,326 2.951,327 4.026,328 2.928,329 5.544,330 3.616,331 2.63,332 3.632,333 0.4,334 7.511,335 2.595,336 4.012,337 2.82,338 5.42,339 3.607,340 2.62,341 3.614,342 0.4,343 7.172,344 2.586,345 3.727,346 5.359,347 2.4,348 3.068,350 6.966,351 3.424,352 4.959,353 3.076,354 2.11,355 2.706,357 5.724,358 2.027,359 3.367,360 4.886,361 3.017,362 2.055,363 2.609,365 5.671,366 1.97,367 3.102,368 2.715,369 1.746,370 2.267,372 4.836,373 1.682,374 2.726,375 1.511,376 3.968,377 1.797,378 3.258,379 1.262,380 2.648,381 1.431,382 3.481,383 2.161,384 1.173,385 1.716,386 2.587,387 1.157,388 2.5,389 1.296,390 3.456,391 2.106,392 1.156,393 1.5,394 2.524,395 1.095,396 2.28,397 1.201,398 3.414,399 2,400 1,401 1.262,402 2.275,403 1,404 2.081,405 1,406 3.067,407 1.845,408 0.853,409 0.987,410 1.464,411 0.838,412 1.451,413 0.538,414 2.858,415 1.136,416 0.185,417 0.217,418 0.424,419 0.174,420 1.326,421 0.324,422 2.72,423 1,424 0.06,425 0.074,426 0.158,427 0.057,428 1.022,429 0.059,430 2.281,431 -0.284,432 -0.341,433 -0.641,434 -0.264,435 13.667,436 0.471,437 0.626,438 0.022,439 39.5,440 1.362,441 21,442 0.724,443 18.5,444 0.638,445 22.097,446 0.762,447 0.58,448 30.101,449 1.038,450 7.919,451 0.273,452 6.127,453 0.211,454 0.122,456 0.293,458 0.923,459 1.324,460 0.854,461 1.057,462 0.783,463 0.957,464 0.615,465 1.067,466 0.85,467 1.052,468 0.539,469 0.994,470 1.07,471 1.258,472 0.985,473 1.094,474 0.97,475 1.032,476 0.94,477 0.973,478 0.992,479 0.983,480 1.081,481 0.998,482 6.42}
{0 CHEMBL389647,1 0.949,2 66.713,3 27.003,4 1.127,5 2.357,7 0.694,8 1,9 303.626,10 3,11 9,12 11,13 6.47,14 45.606,15 28.207,16 0.408,18 4.227,19 0.571,20 41.235,21 1.414,22 1.414,23 0.331,24 41.915,25 5,26 8,27 4.74,28 429.808,29 1.107,30 1.313,31 2.035,32 34.729,33 7.146,34 0.72,35 4.655,36 4.901,37 1.668,38 1.667,39 1.218,40 4.257,41 5.651,42 16.043,43 10.949,44 5.217,45 6.167,46 2.1,47 5.902,48 4.137,49 2.708,50 0.965,51 13.996,52 0.146,53 0.215,54 0.101,55 10.286,56 11.893,57 4.779,58 2.864,59 4.072,60 4.741,61 2.558,62 10.4,63 4.573,64 1304,65 3.315,66 2.205,67 0.586,68 29.2,69 1.709,70 19364.9,71 142.674,72 28.714,73 27.115,74 3.718,75 2.053,76 16.824,77 113.968,78 31.776,79 0.241,80 2.044,81 -0.16,82 1.523,83 2.313,84 32224,85 0.034,86 1.7,87 4.344,88 18.873,89 9.216,90 0.6,91 3.971,92 4.093,93 3.703,94 3.529,95 5.174,96 3.511,97 4.433,98 4.594,99 4.101,100 3.901,101 3.851,102 4.681,103 4.866,104 4.011,105 5.848,106 3.942,107 4.973,108 3.941,109 3.835,110 3.869,111 3.861,112 5.675,113 3.766,114 4.562,115 4.774,116 3.946,117 3.823,118 5.713,119 3.756,120 4.587,121 4.799,122 3.88,123 3.81,124 5.78,125 3.752,126 4.562,127 4.78,128 3.937,129 3.766,130 5.714,131 3.681,132 0.094,133 7.304,134 3.928,135 14.325,136 4.791,137 1.099,138 14.492,139 6.898,140 30.156,141 8.733,142 0.309,143 27.213,144 8.84,145 10.826,146 1.351,147 33.351,148 9.45,149 12.227,150 1.25,151 8.096,152 10.458,153 0.327,154 1.149,155 28.019,156 7.744,157 38.672,158 10.113,159 0.448,160 1.179,161 23.437,162 6.805,163 57.668,164 8.502,165 0.331,166 22.889,167 7.296,168 49.14,169 9.63,170 27,171 41,172 0.288,173 0.68,174 0.831,175 0.901,176 0.908,177 0.908,178 3.374,179 0.943,180 -4.37,181 -4.3,182 -4.06,183 1,184 41.7,185 1,186 1,189 1,192 7,193 3,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 3,214 1,215 4,216 6,217 1,222 6,223 7,225 2,226 4,227 2,228 4,229 2,230 6,231 1,232 5,235 4,239 2,240 2,242 10,244 1,245 1,246 6,247 1,248 3,249 2,251 6,253 1,254 5,255 1,257 2,259 7,263 7,265 4,267 3,270 1,272 2,274 2,276 5,277 1,278 18.516,279 18.516,280 18.516,281 18.516,282 18.516,283 18.907,284 14.795,285 14.795,286 14.795,287 14.795,288 14.795,289 11.131,290 15.539,291 3.885,292 1.569,293 0.675,294 0.266,295 0.224,296 0.224,297 4.055,300 1,301 701,302 3.317,305 1.773,308 1,309 1,310 1,311 0.6,313 1,314 1,315 0.8,316 60.25,317 333,318 4.378,319 3.542,320 6.437,321 3.99,322 3.021,323 4.021,324 0.98,325 9.916,326 2.931,327 4.214,328 3.19,329 5.95,330 3.762,331 2.829,332 3.869,333 0.4,334 8.322,335 2.631,336 4.023,337 2.918,338 5.525,339 3.61,340 2.623,341 3.631,342 0.4,343 7.463,344 2.591,345 3.701,346 5.345,347 2.382,348 3.042,350 6.894,351 3.514,352 5.202,353 3.156,354 2.199,355 2.819,357 6.402,358 2.062,359 3.354,360 4.889,361 3.007,362 2.035,363 2.597,365 5.556,366 1.968,367 3.054,368 2.629,369 1.652,370 2.208,372 4.54,373 1.603,374 2.82,375 1.903,376 4.043,377 1.949,378 3.527,379 1.203,380 2.686,381 1.43,382 3.704,383 2.212,384 1.246,385 1.74,386 2.831,387 1.177,388 2.642,389 1.292,390 3.481,391 2.15,392 1.171,393 1.685,394 2.585,395 1.14,396 2.266,397 1.202,398 3.453,399 2.025,400 1.054,401 1.234,402 2.426,403 1.016,404 1.512,405 0.675,406 2.945,407 1.185,408 0.272,409 0.32,410 0.618,411 0.23,412 1.381,413 0.4,414 2.831,415 1.015,416 0.081,417 0.1,418 0.213,419 0.074,420 1.116,421 0.217,422 2.38,423 0.762,424 -0.116,425 -0.135,426 -0.282,427 -0.087,428 0.92,429 0.067,430 2.327,431 -0.406,432 -0.509,433 -0.912,434 -0.381,435 14,436 0.5,437 0.753,438 0.027,439 38.75,440 1.384,441 21,442 0.75,443 17.75,444 0.634,445 22.517,446 0.804,447 0.608,448 27.839,449 0.994,450 7.576,451 0.271,452 5.843,453 0.209,454 0.207,456 0.321,458 0.934,459 1.182,460 0.518,461 0.781,462 0.859,463 0.803,464 0.557,465 1.001,466 0.586,467 0.864,468 0.48,469 0.903,470 1,471 1.331,472 0.9,473 1.12,474 0.926,475 1.091,476 0.781,477 0.976,478 0.92,479 0.981,480 0.765,481 1.04,482 7.081}
{0 CHEMBL427436,1 0.94,2 71.191,3 24.18,4 1.138,5 2.202,7 1.261,9 279.808,10 1,11 9,12 10,13 6.471,14 42.263,15 27.265,16 0.326,18 4.227,19 0.578,20 45.495,21 1.224,22 1.224,23 0.354,24 37.451,25 5,26 7,27 2.647,28 363.153,29 1.112,30 1.436,31 1.578,32 26.948,33 6.834,34 0.774,35 4.737,36 5.016,37 1.676,38 1.676,39 1.25,40 3.852,41 5.631,42 15.924,43 10.663,44 5.114,45 5.806,47 5.896,48 4.069,49 2.592,50 1.109,51 12.614,52 0.156,53 0.23,54 0.108,55 9.621,56 11.692,57 4.67,58 2.783,59 3.762,60 4.87,61 2.418,62 9.8,63 3.716,64 1076,65 3.3,66 2.195,67 0.326,68 29.233,69 1.689,70 15492.4,71 129.263,72 26.462,73 25.55,74 3.662,75 2.063,76 14.741,77 104.025,78 30.805,79 0.219,80 2.068,81 -0.082,82 1.488,83 2.171,84 21265,85 -0.172,86 1.547,87 3.227,88 10.411,89 6.97,90 0.429,91 4.017,92 4.157,93 3.507,94 3.505,95 5.106,96 3.481,97 4.553,98 4.744,99 3.835,100 3.901,101 3.834,102 4.872,103 5.122,104 4.012,105 5.826,106 3.912,107 5.146,108 3.913,109 3.794,110 3.664,111 3.83,112 5.634,113 3.733,114 4.642,115 4.868,116 3.739,117 3.827,118 5.688,119 3.753,120 4.733,121 4.976,122 3.68,123 3.814,124 5.819,125 3.737,126 4.701,127 4.97,128 3.469,129 3.735,130 5.693,131 3.616,132 0.056,133 11.539,134 4.325,135 11.335,136 6.247,137 1.204,138 20.653,139 7.759,140 32.118,141 11.193,142 0.258,143 30.166,144 9.299,145 14.565,146 1.369,147 31.059,148 8.859,149 14.11,150 1.237,151 7.128,152 11.934,153 0.285,154 1.196,155 23.698,156 7.025,157 39.929,158 11.005,159 0.451,160 1.226,161 26.913,162 6.626,163 63.972,164 10.85,165 0.392,166 26.365,167 7.057,168 61.387,169 11.267,170 11,171 37,172 0.262,173 0.622,174 0.761,175 0.823,176 0.841,177 0.841,178 3.303,179 0.972,180 -4.04,181 -3.99,182 -3.78,184 37.3,186 6,189 1,190 1,192 4,193 2,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 3,214 1,215 4,216 7,217 1,222 5,223 6,225 2,226 4,227 2,228 4,229 2,230 5,231 1,232 2,235 4,239 3,240 2,242 9,244 1,245 1,246 5,247 1,248 2,249 2,251 8,253 1,254 5,255 1,257 2,259 3,263 5,265 4,267 2,270 1,272 2,274 3,276 6,277 1,278 17.568,279 17.568,280 17.568,281 17.568,282 17.568,283 17.83,284 13.844,285 13.844,286 13.844,287 13.844,288 13.844,289 11.362,290 14.304,291 4.126,292 1.997,293 1.176,294 0.814,295 0.706,296 0.706,297 3.988,299 1,300 1,301 645,302 3.162,305 1.74,307 1,308 1,309 1,310 1,311 1,312 1,313 1,314 1,315 1,316 56.5,317 304,318 4.369,319 3.541,320 6.437,321 3.987,322 3.019,323 4.008,324 0.98,325 9.913,326 2.929,327 4.012,328 2.894,329 5.422,330 3.608,331 2.621,332 3.614,333 0.4,334 7.167,335 2.587,336 3.698,337 2.815,338 5.403,339 3.464,340 2.486,341 3.041,342 0.4,343 7.052,344 2.43,345 3.533,346 5.313,347 2.367,348 2.706,350 6.863,351 3.42,352 4.888,353 3.062,354 2.098,355 2.583,357 5.691,358 2.011,359 3.09,360 4.705,361 2.76,362 1.792,363 2.187,365 4.809,366 1.721,367 2.679,368 2.389,369 1.4,370 1.7,372 3.035,373 1.38,374 2.5,375 1.33,376 3.576,377 1.5,378 2.798,379 1.154,380 2.424,381 1.291,382 3.436,383 2.025,384 1.054,385 1.421,386 2.418,387 1.016,388 2.265,389 1,390 3.414,391 2,392 1,393 1.233,394 2.275,395 1,396 2,397 1,398 3.247,399 2,400 1,401 1,402 2.136,403 1,404 1.433,405 0.543,406 2.865,407 1.138,408 0.189,409 0.221,410 0.445,411 0.178,412 1.255,413 0.343,414 2.763,415 1,416 0.061,417 0.069,418 0.158,419 0.057,420 0.96,421 0.078,422 2.27,423 0.648,424 -0.291,425 -0.345,426 -0.673,427 -0.27,428 0.59,429 -0.094,430 2.112,431 -0.625,432 -0.697,433 -1.446,434 -0.588,435 12.167,436 0.468,437 0.558,438 0.021,439 31.75,440 1.221,441 15,442 0.577,443 16.75,444 0.644,445 21.891,446 0.842,447 0.573,448 22.246,449 0.856,450 5.851,451 0.225,452 6.763,453 0.26,454 0.088,456 0.288,458 0.941,459 1.344,460 0.897,461 1.094,462 0.81,463 0.996,464 0.547,465 1.17,466 0.917,467 1.214,468 0.428,469 1.138,470 0.929,471 1.235,472 0.955,473 1.099,474 0.789,475 1.039,476 0.737,477 0.921,478 0.951,479 0.953,480 0.692,481 0.978,482 7}
{0 CHEMBL458325,1 1.015,2 69.067,3 32.09,4 1.132,5 2.418,7 0.947,9 322.365,10 2,11 8,12 8,13 6.449,14 45.253,15 28.087,16 0.325,18 4.227,19 0.58,20 48.777,21 1.473,22 1.473,23 0.299,24 54.359,25 6,26 8,27 3.918,28 440.799,29 1.215,30 1.563,31 2.067,32 27.874,33 7.621,34 0.847,35 4.813,36 5.065,37 1.761,38 1.778,39 0.954,40 4.008,41 5.745,42 18.059,43 12.163,44 5.823,45 6.583,47 5.98,48 4.198,49 2.765,50 1.144,51 14.581,52 0.132,53 0.195,54 0.091,55 11.069,56 13.1,57 4.876,58 2.687,59 3.938,60 4.879,61 2.571,62 11.1,63 4.75,64 1610,65 3.506,66 2.444,67 1.079,68 32.133,69 1.726,70 24172.7,71 156.711,72 34.956,73 28.847,74 3.839,75 2.055,76 16.454,77 118.143,78 34.299,79 0.276,80 2.043,81 -0.133,82 1.514,83 2.467,84 34294,85 -0.052,86 1.576,87 2.588,88 6.7,89 7.491,90 0.545,91 4.096,92 4.228,93 3.658,94 3.605,95 5.236,96 3.598,97 4.603,98 4.776,99 4.005,100 3.991,101 3.956,102 4.877,103 5.093,104 4.091,105 5.932,106 4.023,107 5.128,108 4.028,109 3.94,110 3.855,111 3.99,112 5.814,113 3.903,114 4.74,115 4.982,116 3.825,117 3.916,118 5.821,119 3.844,120 4.633,121 4.858,122 3.815,123 3.856,124 5.746,125 3.801,126 4.626,127 4.848,128 3.784,129 3.824,130 5.794,131 3.767,132 0.074,133 11.085,134 4.362,135 14.978,136 5.914,137 1.325,138 19.894,139 7.466,140 34.941,141 10.305,142 0.364,143 28.69,144 9.393,145 13.559,146 1.53,147 30.039,148 9.454,149 14.03,150 1.433,151 8.903,152 13.293,153 0.401,154 1.321,155 26.054,156 8.078,157 53.891,158 11.862,159 0.303,160 1.231,161 22.674,162 7.27,163 38.765,164 10.497,165 0.286,166 22.365,167 6.952,168 44.067,169 10.222,170 11,171 45,172 0.26,173 0.63,174 0.774,175 0.849,176 0.869,177 0.869,178 3.44,179 0.894,180 -3.73,181 -3.69,182 -3.51,184 40.7,186 1,189 3,190 1,192 9,193 2,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 6,214 1,215 4,216 6,217 1,219 2,221 1,222 4,223 5,225 2,226 5,227 2,228 4,229 2,230 3,231 1,232 3,235 6,237 1,239 3,240 4,242 4,244 1,245 1,246 6,247 1,248 4,249 1,250 2,251 5,254 7,255 3,257 2,259 6,262 1,263 6,265 2,267 4,270 7,272 1,274 4,276 6,277 3,278 20.378,279 20.378,280 20.378,281 20.378,282 20.378,283 20.733,284 16.315,285 16.315,286 16.315,287 16.315,288 16.315,289 12.853,290 16.943,291 4.179,292 1.931,293 1.061,294 0.607,295 0.481,296 0.481,297 4.138,300 1,301 853,302 3.162,303 97.077,305 2.04,308 1,309 1,310 1,311 0.8,312 0.5,313 1,314 1,315 0.9,316 65,317 393,318 4.369,319 3.54,320 6.425,321 3.978,322 3.01,323 4.012,324 0.98,325 9.852,326 2.921,327 4.158,328 3.174,329 6.178,330 3.867,331 2.92,332 3.697,333 0.8,334 9.196,335 2.766,336 3.894,337 2.908,338 5.565,339 3.53,340 2.578,341 3.442,342 0.657,343 7.614,344 2.5,345 3.822,346 5.347,347 2.511,348 3.119,349 0.4,350 6.975,351 3.564,352 5.138,353 3.224,354 2.27,355 2.836,357 6.313,358 2.152,359 3.283,360 5,361 3.006,362 2.045,363 2.385,365 5.861,366 1.954,367 3.157,368 2.772,369 1.826,370 2.314,372 4.986,373 1.717,374 2.905,375 1.658,376 4.116,377 2.066,378 3.488,379 1.463,380 2.663,381 1.503,382 3.715,383 2.21,384 1.271,385 1.674,386 3.132,387 1.187,388 2.5,389 1.438,390 3.623,391 2.117,392 1.145,393 1.5,394 2.735,395 1.103,396 2.5,397 1,398 3.414,399 2,400 1,401 1.5,402 2.275,403 1,404 2.415,405 1,406 3.269,407 2,408 1,409 1.405,410 2.136,411 1,412 1.849,413 0.817,414 3.247,415 1.669,416 0.696,417 0.733,418 1.681,419 0.675,420 1.713,421 0.806,422 3.122,423 1.55,424 0.614,425 0.704,426 1.441,427 0.573,428 1.415,429 0.416,430 2.977,431 0.138,432 0.168,433 0.368,434 0.129,435 14.067,436 0.469,437 0.677,438 0.023,439 41,440 1.367,441 21,442 0.7,443 20,444 0.667,445 22.349,446 0.745,447 0.595,448 31.282,449 1.043,450 8.207,451 0.274,452 6.373,453 0.212,454 0.076,456 0.313,458 0.959,459 1.325,460 0.821,461 1.012,462 0.843,463 0.905,464 0.765,465 1.112,466 0.907,467 1.07,468 0.595,469 1.019,470 1.111,471 1.253,472 1.055,473 1.117,474 1.013,475 1.086,476 0.767,477 0.922,478 0.968,479 0.957,480 0.726,481 0.987,482 7.009}
{0 CHEMBL461303,1 1.016,2 61.063,3 31.702,4 1.131,5 2.13,7 0.919,9 309.068,10 2,11 9,12 8,13 5.018,14 37.907,15 21.788,16 0.277,18 4.227,19 0.504,20 32.731,21 1.471,22 1.471,23 0.308,24 52.466,25 6,26 7,27 4.258,28 402.649,29 1.198,30 1.541,31 1.807,32 27.1,33 7.361,34 0.837,35 4.784,36 5.038,37 1.751,38 1.793,39 0.931,40 3.946,41 5.679,42 17.612,43 12.026,44 5.745,45 6.417,47 5.914,48 4.161,49 2.757,50 1.144,51 14.187,52 0.137,53 0.201,54 0.094,55 10.694,56 12.379,57 4.827,58 2.687,59 3.905,60 4.827,61 2.536,62 11.3,63 4.442,64 1459,65 3.489,66 2.399,67 1.068,68 30.667,69 1.718,70 21600.5,71 149.531,72 32.48,73 28.025,74 3.782,75 2.055,76 16.136,77 116.824,78 33.584,79 0.25,80 2.043,81 -0.075,82 1.489,83 2.465,84 28515,85 -0.095,86 1.508,87 3.679,88 13.536,89 7.331,90 0.563,91 4.068,92 4.206,93 3.622,94 3.598,95 5.171,96 3.58,97 4.582,98 4.765,99 3.955,100 3.981,101 3.931,102 4.837,103 5.069,104 4.072,105 5.817,106 3.989,107 5.075,108 4.004,109 3.911,110 3.799,111 3.975,112 5.744,113 3.876,114 4.71,115 4.966,116 3.76,117 3.897,118 5.716,119 3.808,120 4.586,121 4.816,122 3.778,123 3.83,124 5.667,125 3.77,126 4.595,127 4.815,128 3.748,129 3.808,130 5.745,131 3.75,132 0.043,133 11.038,134 4.302,135 9.274,136 6.023,137 1.313,138 19.958,139 7.419,140 29.71,141 10.527,142 0.214,143 27.757,144 9.282,145 13.746,146 1.494,147 28.335,148 9.14,149 13.631,150 1.419,151 8.75,152 13.106,153 0.332,154 1.307,155 25.435,156 8.03,157 42.35,158 12.031,159 0.235,160 1.204,161 21.664,162 7.016,163 30.918,164 10.29,165 0.205,166 21.77,167 6.737,168 39.993,169 9.868,170 6,171 43,172 0.249,173 0.601,174 0.738,175 0.802,176 0.823,177 0.823,178 3.408,179 0.915,180 -4.48,181 -4.41,182 -4.15,184 41.5,186 2,189 3,192 9,193 2,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 7,214 1,215 4,216 5,217 1,219 2,222 4,223 5,225 2,226 5,227 2,228 4,229 2,230 3,231 1,232 5,235 6,237 1,239 1,240 6,242 4,244 1,245 1,246 4,247 1,248 4,249 1,250 2,251 5,254 8,255 3,257 2,259 6,263 6,265 2,267 4,270 9,272 1,274 4,276 6,277 3,278 19.93,279 19.93,280 19.93,281 19.93,282 19.93,283 20.253,284 15.832,285 15.832,286 15.832,287 15.832,288 15.832,289 12.37,290 16.388,291 4.22,292 2.094,293 1.27,294 0.882,295 0.755,296 0.755,297 4.107,300 1,301 783,302 3.082,303 93.777,305 1.979,308 1,309 1,310 1,311 0.8,312 0.5,313 1,314 1,315 0.9,316 62,317 359,318 4.369,319 3.54,320 6.425,321 3.977,322 3.009,323 4.012,324 0.98,325 9.852,326 2.921,327 4.147,328 3.118,329 6.146,330 3.828,331 2.878,332 3.695,333 0.8,334 9.065,335 2.737,336 3.894,337 2.903,338 5.562,339 3.51,340 2.55,341 3.442,342 0.657,343 7.599,344 2.5,345 3.803,346 5.347,347 2.509,348 3.114,349 0.4,350 6.975,351 3.525,352 5.095,353 3.121,354 2.162,355 2.814,357 6.142,358 2.061,359 3.182,360 4.761,361 2.823,362 1.862,363 2.344,365 5.018,366 1.783,367 2.948,368 2.688,369 1.72,370 2.069,372 4.474,373 1.658,374 2.901,375 1.649,376 3.716,377 2.006,378 3.133,379 1.46,380 2.659,381 1.442,382 3.623,383 2.131,384 1.158,385 1.668,386 2.741,387 1.117,388 2.5,389 1.013,390 3.414,391 2,392 1,393 1.5,394 2.275,395 1,396 2.5,397 1,398 3.299,399 2,400 1,401 1.5,402 2.136,403 1,404 1.99,405 1,406 3.247,407 1.861,408 0.895,409 0.959,410 2.093,411 0.862,412 1.849,413 0.806,414 3.121,415 1.591,416 0.618,417 0.733,418 1.441,419 0.6,420 1.618,421 0.744,422 3,423 1.55,424 0.614,425 0.618,426 1.372,427 0.573,428 1.405,429 0.404,430 2.941,431 0.126,432 0.154,433 0.336,434 0.118,435 13.733,436 0.474,437 0.571,438 0.02,439 40.25,440 1.388,441 21,442 0.724,443 19.25,444 0.664,445 21.146,446 0.729,447 0.579,448 29.534,449 1.018,450 7.939,451 0.274,452 6.248,453 0.215,454 0.053,456 0.284,458 0.914,459 1.335,460 0.823,461 1.029,462 0.728,463 0.923,464 0.706,465 1.094,466 0.916,467 1.058,468 0.458,469 1.018,470 1.047,471 1.244,472 1.002,473 1.102,474 0.839,475 1.053,476 0.756,477 0.941,478 0.962,479 0.977,480 0.731,481 0.992,482 6.187}
{0 CHEMBL461304,1 0.962,2 64.143,3 31.702,4 1.131,5 2.128,7 0.925,9 434.285,10 2,11 10,12 9,13 5.018,14 40.527,15 22.108,16 0.302,18 4.227,19 0.541,20 34.842,21 1.472,22 1.472,23 0.299,24 52.466,25 6,26 7,27 4.272,28 406.649,29 1.261,30 1.659,31 1.828,32 30.075,33 7.622,34 0.875,35 4.872,36 5.137,37 1.864,38 1.871,39 0.966,40 4.012,41 5.71,42 18.319,43 12.526,44 5.995,45 6.667,47 5.973,48 4.162,49 2.757,50 1.153,51 14.687,52 0.132,53 0.195,54 0.091,55 11.073,56 13.1,57 4.876,58 2.866,59 3.942,60 4.935,61 2.535,62 10.7,63 4.427,64 1612,65 3.486,66 2.394,67 1.096,68 31.967,69 1.727,70 24182.8,71 156.72,72 35.031,73 28.87,74 3.839,75 2.076,76 16.843,77 121.425,78 35.111,79 0.263,80 2.076,81 -0.063,82 1.491,83 2.466,84 30477,85 -0.045,86 1.49,87 4.135,88 17.101,89 7.188,90 0.545,91 4.116,92 4.256,93 3.653,94 3.645,95 5.2,96 3.622,97 4.638,98 4.826,99 3.98,100 4.029,101 3.972,102 4.917,103 5.153,104 4.15,105 5.867,106 4.062,107 5.191,108 4.093,109 3.984,110 3.848,111 4.046,112 5.798,113 3.938,114 4.777,115 5.028,116 3.817,117 3.98,118 5.771,119 3.884,120 4.685,121 4.924,122 3.812,123 3.911,124 5.725,125 3.834,126 4.659,127 4.89,128 3.78,129 3.851,130 5.78,131 3.786,132 0.05,133 11.967,134 4.634,135 9.779,136 6.576,137 1.377,138 21.64,139 8.018,140 31.278,141 11.498,142 0.233,143 30.441,144 10.169,145 15.233,146 1.636,147 31.971,148 10.306,149 15.526,150 1.518,151 9.748,152 14.767,153 0.333,154 1.4,155 27.084,156 8.774,157 43.305,158 13.166,159 0.252,160 1.303,161 24.324,162 7.987,163 34.162,164 11.848,165 0.223,166 23.718,167 7.218,168 42.181,169 10.813,170 6,171 44,172 0.244,173 0.59,174 0.732,175 0.808,176 0.828,177 0.828,178 3.44,179 0.932,180 -4.69,181 -4.61,182 -4.33,184 41.1,186 3,189 3,192 9,193 2,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 7,214 1,215 4,216 5,217 1,219 3,222 4,223 5,225 2,226 5,227 2,228 4,229 2,230 3,231 1,232 5,235 6,237 1,239 1,240 8,242 4,244 1,245 1,246 4,247 1,248 6,249 1,250 2,251 5,254 8,255 3,257 2,259 6,263 7,265 2,267 4,270 9,272 1,274 4,276 6,277 3,278 20.637,279 20.637,280 20.637,281 20.637,282 20.637,283 20.96,284 16.332,285 16.332,286 16.332,287 16.332,288 16.332,289 12.87,290 16.888,291 4.317,292 2.206,293 1.336,294 0.871,295 0.75,296 0.75,297 4.141,300 1,301 854,302 3.082,305 2.04,308 1,309 1,310 1,311 0.8,312 0.5,313 1,314 1,315 0.9,316 64,317 393,318 4.369,319 3.54,320 6.425,321 3.977,322 3.009,323 4.012,324 0.98,325 9.852,326 2.921,327 4.144,328 3.109,329 6.143,330 3.821,331 2.87,332 3.695,333 0.8,334 9.057,335 2.731,336 3.894,337 2.902,338 5.562,339 3.51,340 2.547,341 3.442,342 0.657,343 7.598,344 2.5,345 3.8,346 5.347,347 2.509,348 3.112,349 0.4,350 6.975,351 3.522,352 5.094,353 3.119,354 2.16,355 2.811,357 6.14,358 2.06,359 3.181,360 4.761,361 2.833,362 1.866,363 2.344,365 5.015,366 1.801,367 2.954,368 2.72,369 1.753,370 2.069,372 4.443,373 1.685,374 2.902,375 1.651,376 3.716,377 2.006,378 3.133,379 1.461,380 2.66,381 1.443,382 3.623,383 2.154,384 1.187,385 1.669,386 2.764,387 1.141,388 2.5,389 1.268,390 3.504,391 2.095,392 1.123,393 1.5,394 2.673,395 1.085,396 2.5,397 1.077,398 3.414,399 2,400 1,401 1.5,402 2.275,403 1,404 2.257,405 1,406 3.247,407 2,408 1,409 1.242,410 2.136,411 1,412 2,413 1,414 3.247,415 1.984,416 1,417 1,418 2.136,419 0.983,420 1.849,421 0.806,422 3.122,423 1.55,424 0.614,425 0.733,426 1.441,427 0.573,428 1.43,429 0.421,430 2.971,431 0.153,432 0.186,433 0.404,434 0.144,435 14.233,436 0.474,437 0.571,438 0.019,439 40.75,440 1.358,441 21,442 0.7,443 19.75,444 0.658,445 23.03,446 0.768,447 0.571,448 30.121,449 1.004,450 7.939,451 0.265,452 6.748,453 0.225,454 0.052,456 0.274,458 0.91,459 1.342,460 0.842,461 1.049,462 0.724,463 0.946,464 0.701,465 1.111,466 0.932,467 1.08,468 0.454,469 1.04,470 1.022,471 1.233,472 0.974,473 1.081,474 0.807,475 1.029,476 0.77,477 0.952,478 0.996,479 1.002,480 0.694,481 1.022,482 6.921}
{0 CHEMBL461720,1 1.013,2 59.076,3 25.254,4 1.13,5 2.04,7 0.908,9 290.766,10 1,11 11,12 12,13 6.456,14 50.461,15 25.745,16 0.339,18 4.227,19 0.484,20 39.464,21 1.169,22 1.169,23 0.34,24 40.615,25 5,26 7,27 3.859,28 399.153,29 1.095,30 1.31,31 1.655,32 24.578,33 6.952,34 0.73,35 4.667,36 4.922,37 1.655,38 1.658,39 0.895,40 3.866,41 5.632,42 16.096,43 11.278,44 5.314,45 6.139,47 5.887,48 4.171,49 2.685,50 0.886,51 13.152,52 0.151,53 0.222,54 0.104,55 9.919,56 12.148,57 4.72,58 2.687,59 3.821,60 4.709,61 2.471,62 10.4,63 3.716,64 1242,65 3.346,66 2.277,67 0.528,68 28.733,69 1.701,70 17268,71 135.707,72 28.889,73 26.322,74 3.702,75 2.057,76 14.722,77 106.426,78 30.751,79 0.252,80 2.049,81 -0.15,82 1.491,83 2.137,84 25705,85 -0.158,86 1.579,87 2.773,88 7.687,89 7.572,90 0.621,91 3.966,92 4.095,93 3.527,94 3.489,95 5.157,96 3.48,97 4.431,98 4.597,99 3.834,100 3.844,101 3.802,102 4.675,103 4.883,104 3.937,105 5.762,106 3.873,107 4.947,108 3.864,109 3.785,110 3.718,111 3.794,112 5.726,113 3.727,114 4.537,115 4.768,116 3.696,117 3.747,118 5.668,119 3.695,120 4.481,121 4.695,122 3.717,123 3.756,124 5.631,125 3.703,126 4.527,127 4.742,128 3.663,129 3.729,130 5.733,131 3.674,132 0.075,133 9.544,134 3.896,135 14.564,136 5.131,137 1.105,138 16.412,139 6.642,140 35.095,141 8.879,142 0.218,143 22.725,144 7.997,145 11.325,146 1.324,147 24.686,148 7.916,149 11.598,150 1.226,151 7.143,152 10.644,153 0.38,154 1.117,155 20.871,156 6.232,157 49.394,158 8.986,159 0.233,160 1.081,161 18.809,162 6.37,163 32.287,164 9.133,165 0.264,166 20.083,167 6.284,168 43.932,169 8.87,170 15,171 38,172 0.267,173 0.631,174 0.765,175 0.837,176 0.861,177 0.861,178 3.339,179 0.886,180 -4.04,181 -3.99,182 -3.78,184 41.7,186 1,189 2,192 9,193 3,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 3,214 1,215 4,216 6,217 1,222 5,223 7,225 2,226 5,227 2,228 4,229 2,230 6,231 1,232 1,235 6,239 4,240 2,242 6,244 1,245 1,246 4,247 1,248 4,249 1,251 7,253 1,254 6,255 3,257 2,259 6,263 7,265 3,267 4,270 4,272 2,274 5,276 7,277 3,278 18.438,279 18.438,280 18.438,281 18.438,282 18.438,283 18.689,284 14.31,285 14.31,286 14.31,287 14.31,288 14.31,289 10.817,290 14.74,291 4.006,292 1.86,293 1.068,294 0.641,295 0.5,296 0.5,297 4.025,299 1,300 1,301 691,302 3.317,305 1.868,307 1,308 1,309 1,310 1,311 0.6,313 1,314 1,315 0.8,316 58.5,317 328,318 4.369,319 3.54,320 6.425,321 3.977,322 3.009,323 4.012,324 0.98,325 9.852,326 2.921,327 4.054,328 2.93,329 5.608,330 3.665,331 2.686,332 3.642,333 0.657,334 7.738,335 2.634,336 3.893,337 2.81,338 5.351,339 3.508,340 2.512,341 3.442,342 0.4,343 6.975,344 2.5,345 3.712,346 5.327,347 2.387,348 3.065,350 6.914,351 3.405,352 5.013,353 3.019,354 2.045,355 2.683,357 5.904,358 1.979,359 3.163,360 4.739,361 2.767,362 1.82,363 2.335,365 4.971,366 1.715,367 2.905,368 2.467,369 1.472,370 2.066,372 3.133,373 1.462,374 2.661,375 1.506,376 3.623,377 1.672,378 2.743,379 1.122,380 2.5,381 1.441,382 3.414,383 2.031,384 1.093,385 1.5,386 2.275,387 1.015,388 2.5,389 1,390 3.247,391 2,392 1,393 1.5,394 2.136,395 1,396 2.192,397 1,398 3.216,399 2,400 1,401 1.174,402 1.928,403 1,404 1.849,405 0.806,406 3.121,407 1.55,408 0.614,409 0.733,410 1.441,411 0.573,412 1.467,413 0.55,414 2.895,415 1.148,416 0.211,417 0.252,418 0.485,419 0.196,420 1.101,421 0.257,422 2.417,423 0.74,424 -0.208,425 -0.251,426 -0.44,427 -0.195,428 0.862,429 -0.026,430 2.251,431 -0.416,432 -0.494,433 -0.96,434 -0.39,435 12.667,436 0.469,437 0.52,438 0.019,439 37.75,440 1.398,441 20.5,442 0.759,443 17.25,444 0.639,445 18.301,446 0.678,447 0.599,448 28.301,449 1.048,450 7.774,451 0.288,452 5.378,453 0.199,454 0.084,456 0.276,458 0.955,459 1.214,460 0.829,461 0.959,462 0.858,463 0.878,464 0.687,465 1.039,466 0.904,467 1.066,468 0.646,469 1.035,470 0.957,471 1.323,472 0.976,473 1.143,474 0.889,475 1.078,476 0.689,477 1.033,478 0.983,479 1.067,480 0.653,481 1.069,482 7.022}
{0 CHEMBL461721,1 1.041,2 66.304,3 26.74,4 1.13,5 2.039,7 0.937,9 305.296,10 1,11 12,12 13,13 6.456,14 43.947,15 25.854,16 0.28,18 4.227,19 0.524,20 41.261,21 1.414,22 1.414,23 0.328,24 41.923,25 5,26 7,27 4.019,28 403.153,29 1.151,30 1.39,31 1.704,32 25.783,33 7.313,34 0.768,35 4.722,36 4.979,37 1.744,38 1.759,39 0.937,40 3.894,41 5.664,42 16.803,43 11.802,44 5.608,45 6.389,47 5.918,48 4.172,49 2.682,50 0.978,51 13.652,52 0.146,53 0.214,54 0.1,55 10.297,56 12.929,57 4.771,58 2.687,59 3.844,60 4.784,61 2.469,62 9.8,63 3.716,64 1362,65 3.35,66 2.283,67 0.655,68 30.033,69 1.71,70 19709.1,71 143.052,72 32.306,73 27.257,74 3.787,75 2.058,76 15.429,77 111.027,78 32.278,79 0.246,80 2.053,81 -0.133,82 1.481,83 2.374,84 27904,85 -0.12,86 1.557,87 3.229,88 10.425,89 7.402,90 0.6,91 4.019,92 4.151,93 3.561,94 3.541,95 5.187,96 3.526,97 4.496,98 4.668,99 3.862,100 3.9,101 3.848,102 4.749,103 4.968,104 3.996,105 5.798,106 3.921,107 5.028,108 3.929,109 3.84,110 3.77,111 3.877,112 5.741,113 3.798,114 4.637,115 4.868,116 3.764,117 3.838,118 5.765,119 3.777,120 4.586,121 4.809,122 3.752,123 3.821,124 5.701,125 3.76,126 4.576,127 4.8,128 3.698,129 3.774,130 5.762,131 3.711,132 0.065,133 10.475,134 4.231,135 14.158,136 5.691,137 1.169,138 18.129,139 7.25,140 35.559,141 9.86,142 0.208,143 25.162,144 8.771,145 12.663,146 1.401,147 27.273,148 8.65,149 12.775,150 1.308,151 7.807,152 11.851,153 0.37,154 1.215,155 23.287,156 7.107,157 51.416,158 10.341,159 0.219,160 1.165,161 21.678,162 7.142,163 37.743,164 10.312,165 0.289,166 21.519,167 6.599,168 45.239,169 9.661,170 16,171 39,172 0.26,173 0.628,174 0.774,175 0.842,176 0.864,177 0.864,178 3.374,179 0.907,180 -4.26,181 -4.2,182 -3.97,184 41.2,186 2,189 2,192 9,193 3,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 3,214 1,215 4,216 6,217 1,222 5,223 9,225 2,226 5,227 2,228 4,229 2,230 5,231 1,232 3,235 6,239 4,240 2,242 6,244 1,245 1,246 7,247 1,248 4,249 1,251 7,254 6,255 3,257 2,259 8,262 1,263 7,265 3,267 4,270 4,274 5,276 7,277 3,278 19.146,279 19.146,280 19.146,281 19.146,282 19.146,283 19.396,284 14.81,285 14.81,286 14.81,287 14.81,288 14.81,289 11.317,290 15.244,291 4.115,292 1.917,293 1.045,294 0.642,295 0.51,296 0.51,297 4.06,300 1,301 761,302 3.464,305 2.005,307 1,308 1,309 1,310 0.83,311 0.6,312 0.5,313 1,314 1,315 0.85,316 60.5,317 362,318 4.369,319 3.54,320 6.425,321 3.977,322 3.009,323 4.012,324 0.98,325 9.852,326 2.921,327 4.054,328 2.929,329 5.608,330 3.666,331 2.687,332 3.643,333 0.657,334 7.739,335 2.637,336 3.893,337 2.808,338 5.351,339 3.508,340 2.512,341 3.442,342 0.4,343 6.975,344 2.5,345 3.713,346 5.328,347 2.39,348 3.065,350 6.923,351 3.408,352 5.014,353 3.025,354 2.051,355 2.684,357 5.91,358 1.985,359 3.163,360 4.739,361 2.77,362 1.822,363 2.335,365 4.972,366 1.718,367 2.905,368 2.468,369 1.474,370 2.066,372 3.134,373 1.463,374 2.662,375 1.65,376 3.623,377 1.672,378 2.755,379 1.35,380 2.5,381 1.442,382 3.447,383 2.129,384 1.155,385 1.5,386 2.639,387 1.114,388 2.5,389 1,390 3.414,391 2,392 1,393 1.5,394 2.275,395 1,396 2.473,397 1,398 3.247,399 2,400 1,401 1.472,402 2.136,403 1,404 1.849,405 0.807,406 3.122,407 1.55,408 0.614,409 0.733,410 1.442,411 0.573,412 1.593,413 0.78,414 2.972,415 1.365,416 0.427,417 0.474,418 0.825,419 0.396,420 1.281,421 0.377,422 2.463,423 0.99,424 0.057,425 0.067,426 0.122,427 0.053,428 0.991,429 0.128,430 2.416,431 -0.3,432 -0.366,433 -0.693,434 -0.285,435 13.167,436 0.47,437 0.52,438 0.019,439 38.25,440 1.366,441 20.5,442 0.732,443 17.75,444 0.634,445 19.955,446 0.713,447 0.589,448 28.803,449 1.029,450 7.774,451 0.278,452 5.878,453 0.21,454 0.081,456 0.266,458 0.949,459 1.227,460 0.847,461 0.985,462 0.849,463 0.906,464 0.678,465 1.061,466 0.922,467 1.091,468 0.633,469 1.059,470 0.928,471 1.297,472 0.96,473 1.127,474 0.864,475 1.063,476 0.765,477 0.982,478 0.99,479 1.005,480 0.748,481 1.028,482 7.092}
{0 CHEMBL469910,1 1.048,2 65.125,3 35.306,4 1.134,5 2.326,7 0.837,9 463.703,10 3,11 6,12 6,13 5.02,14 50.053,15 29.199,16 0.444,18 4.227,19 0.643,20 37.573,21 1.57,22 1.57,23 0.282,24 56.933,25 6,26 9,27 4.578,28 506.12,29 1.319,30 1.606,31 2.147,32 33.928,33 7.879,34 0.889,35 4.994,36 5.25,37 1.831,38 1.832,39 0.88,40 4.119,41 5.807,42 19.689,43 13.185,44 6.167,45 7.194,47 6.059,48 4.391,49 2.875,50 1.164,51 15.635,52 0.125,53 0.184,54 0.086,55 11.787,56 13.313,57 4.97,58 2.893,59 4.066,60 4.956,61 2.602,62 10.3,63 4.429,64 1890,65 3.485,66 2.387,67 1.313,68 34.9,69 1.744,70 29205.8,71 170.448,72 37.629,73 30.363,74 3.88,75 2.068,76 17.875,77 124.821,78 36.541,79 0.439,80 2.057,81 -0.087,82 1.506,83 2.52,84 41199,85 -0.028,86 1.608,87 2.889,88 8.349,89 7.492,90 0.514,91 4.169,92 4.295,93 3.735,94 3.64,95 5.298,96 3.644,97 4.689,98 4.864,99 4.057,100 4.003,101 3.985,102 4.896,103 5.096,104 4.142,105 5.932,106 4.098,107 5.174,108 4.153,109 4.071,110 3.953,111 4.135,112 5.936,113 4.031,114 4.918,115 5.181,116 3.919,117 4.025,118 5.907,119 3.94,120 4.731,121 4.958,122 3.941,123 3.927,124 5.798,125 3.888,126 4.717,127 4.914,128 3.983,129 3.92,130 5.962,131 3.89,132 0.077,133 11.967,134 4.725,135 11.017,136 6.361,137 1.352,138 22.868,139 7.806,140 39.514,141 10.545,142 0.429,143 28.864,144 9.352,145 13.388,146 1.666,147 31.221,148 10.447,149 15.042,150 1.651,151 10.864,152 16.314,153 0.567,154 1.492,155 32.321,156 9.628,157 57.283,158 14.608,159 0.366,160 1.318,161 25.362,162 7.901,163 34.06,164 11.51,165 0.563,166 24.268,167 7.258,168 55.229,169 10.654,170 14,171 47,172 0.261,173 0.626,174 0.777,175 0.833,176 0.85,177 0.85,178 3.502,179 0.888,180 -3.21,181 -3.2,182 -3.07,184 39.7,188 1,189 5,192 8,193 2,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 7,214 1,215 4,216 5,217 1,218 1,219 4,222 3,223 4,225 2,226 6,227 2,228 5,229 2,230 3,231 1,232 1,235 7,237 1,239 1,240 1,241 1,242 7,244 1,245 1,246 4,247 1,248 4,249 1,250 2,251 3,254 4,255 3,257 1,258 2,259 6,260 1,261 3,263 6,265 2,267 4,270 5,272 1,274 4,276 4,277 3,278 22.007,279 22.007,280 22.007,281 22.007,282 22.007,283 22.661,284 17.231,285 17.231,286 17.231,287 17.231,288 17.231,289 13.681,290 18.189,291 4.25,292 2.011,293 1.082,294 0.737,295 0.634,296 0.634,297 4.201,300 1,301 918,302 3.317,305 2.125,308 1,309 0.83,310 1,311 0.8,312 0.5,313 1,314 1,315 0.88,316 70,317 426,318 4.371,319 3.54,320 6.426,321 3.981,322 3.013,323 4.013,324 0.98,325 9.856,326 2.923,327 4.188,328 3.139,329 6.143,330 3.82,331 2.871,332 3.797,333 0.86,334 9.057,335 2.739,336 4.143,337 3.126,338 6.128,339 3.795,340 2.826,341 3.694,342 0.86,343 8.974,344 2.725,345 3.8,346 5.562,347 2.543,348 3.112,349 0.8,350 7.598,351 3.522,352 5.1,353 3.117,354 2.161,355 2.811,356 0.657,357 6.144,358 2.052,359 3.191,360 4.783,361 2.842,362 1.899,363 2.35,364 0.4,365 5.105,366 1.779,367 2.955,368 2.689,369 1.764,370 2.093,372 4.453,373 1.627,374 2.917,375 2.002,376 4.378,377 2.041,378 4.169,379 1.487,380 2.899,381 1.603,382 3.706,383 2.447,384 1.458,385 2.004,386 3.052,387 1.434,388 2.66,389 1.516,390 3.627,391 2.136,392 1.187,393 1.669,394 2.766,395 1.119,396 2.5,397 1.438,398 3.504,399 2.03,400 1.123,401 1.5,402 2.674,403 1.004,404 2.257,405 1.256,406 3.414,407 2,408 1,409 1.242,410 2.275,411 1,412 2,413 1,414 3.247,415 1.952,416 1,417 1,418 2.136,419 0.946,420 1.941,421 0.942,422 3.19,423 1.627,424 0.687,425 0.836,426 1.552,427 0.642,428 1.604,429 0.811,430 2.971,431 0.435,432 0.491,433 0.696,434 0.379,435 14.9,436 0.466,437 0.623,438 0.019,439 43.25,440 1.352,441 21.5,442 0.672,443 21.75,444 0.68,445 24.602,446 0.769,447 0.602,448 34.483,449 1.078,450 8.937,451 0.279,452 6.698,453 0.209,454 0.083,456 0.295,458 0.924,459 1.437,460 0.796,461 1.149,462 0.762,463 0.969,464 1.152,465 1.012,466 0.935,467 0.929,468 0.661,469 0.904,470 1.104,471 1.236,472 1.008,473 1.057,474 0.92,475 1.019,476 0.76,477 1.066,478 1.073,479 1.139,480 0.744,481 1.164,482 8.086}
{0 CHEMBL470949,1 0.891,2 66.746,3 34.13,4 1.135,5 2.509,7 0.978,9 452.944,10 2,11 8,12 8,13 5.018,14 46.198,15 22.97,16 0.368,18 4.227,19 0.532,20 33.645,21 1.478,22 1.478,23 0.29,24 57.68,25 7,26 8,27 4.209,28 432.294,29 1.335,30 1.706,31 2.092,32 34.016,33 7.911,34 0.925,35 4.969,36 5.255,37 1.869,38 1.87,39 0.969,40 4.06,41 5.747,42 18.766,43 12.613,44 6.032,45 6.833,47 6.027,48 4.168,49 2.766,50 1.153,51 15.081,52 0.128,53 0.189,54 0.089,55 11.429,56 13.806,57 4.923,58 2.866,59 3.98,60 5.018,61 2.637,62 12.1,63 4.756,64 1770,65 3.501,66 2.411,67 1.137,68 33.367,69 1.734,70 27034.2,71 164.048,72 37.396,73 29.706,74 3.9,75 2.076,76 17.583,77 125.334,78 36.133,79 0.324,80 2.07,81 -0.079,82 1.506,83 2.47,84 34482,85 -0.059,86 1.512,87 3.175,88 10.083,89 7.199,90 0.529,91 4.155,92 4.298,93 3.693,94 3.652,95 5.246,96 3.636,97 4.678,98 4.878,99 4.023,100 4.032,101 3.99,102 4.927,103 5.15,104 4.186,105 5.901,106 4.105,107 5.278,108 4.16,109 4.039,110 3.88,111 4.079,112 5.857,113 3.965,114 4.791,115 5.042,116 3.866,117 3.991,118 5.795,119 3.907,120 4.709,121 4.938,122 3.866,123 3.956,124 5.77,125 3.885,126 4.738,127 4.973,128 3.818,129 3.92,130 5.838,131 3.842,132 0.045,133 12.505,134 4.567,135 10.479,136 6.669,137 1.432,138 22.986,139 7.527,140 33.103,141 11.208,142 0.265,143 30.295,144 9.934,145 14.965,146 1.727,147 34.796,148 11.37,149 17.283,150 1.595,151 10.317,152 16.168,153 0.351,154 1.417,155 27.494,156 8.465,157 43.279,158 12.99,159 0.254,160 1.349,161 24.634,162 7.966,163 34.071,164 11.93,165 0.251,166 25.726,167 7.98,168 44.956,169 12.042,170 11,171 46,172 0.246,173 0.588,174 0.728,175 0.808,176 0.827,177 0.827,178 3.471,179 0.912,180 -3.94,181 -3.9,182 -3.7,184 39.7,188 1,189 5,192 9,193 2,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 5,214 1,215 4,216 5,217 1,218 1,219 2,222 4,223 5,225 2,226 5,227 2,228 4,229 2,230 3,231 1,232 1,235 8,237 1,239 1,240 2,242 6,244 1,245 1,246 4,247 1,248 4,249 1,250 2,251 5,254 6,255 3,257 2,259 6,261 1,263 6,265 2,267 4,270 5,272 1,274 4,276 6,277 3,278 21.085,279 21.085,280 21.085,281 21.085,282 21.085,283 21.526,284 16.798,285 16.798,286 16.798,287 16.798,288 16.798,289 13.336,290 17.525,291 4.346,292 2.239,293 1.38,294 0.888,295 0.772,296 0.772,297 4.17,300 1,301 926,302 3.162,305 2.148,308 1,309 1,310 1,311 0.8,312 0.5,313 1,314 1,315 0.9,316 66.5,317 428,318 4.369,319 3.54,320 6.425,321 3.977,322 3.01,323 4.012,324 0.98,325 9.852,326 2.921,327 4.147,328 3.14,329 6.148,330 3.833,331 2.886,332 3.695,333 0.8,334 9.075,335 2.737,336 3.894,337 2.906,338 5.562,339 3.514,340 2.565,341 3.442,342 0.8,343 7.602,344 2.5,345 3.807,346 5.347,347 2.51,348 3.114,349 0.657,350 6.975,351 3.545,352 5.113,353 3.241,354 2.312,355 2.819,356 0.4,357 6.236,358 2.145,359 3.323,360 5.019,361 3.052,362 2.1,363 2.386,365 5.972,366 1.988,367 3.168,368 2.782,369 1.835,370 2.327,372 4.999,373 1.727,374 2.906,375 1.666,376 4.288,377 2.066,378 3.967,379 1.465,380 2.673,381 1.582,382 3.715,383 2.363,384 1.414,385 1.692,386 3.133,387 1.337,388 2.602,389 1.44,390 3.623,391 2.125,392 1.151,393 1.608,394 2.737,395 1.111,396 2.5,397 1.146,398 3.414,399 2,400 1,401 1.5,402 2.275,403 1,404 2.5,405 1,406 3.414,407 2,408 1,409 1.5,410 2.275,411 1,412 2,413 1,414 3.247,415 1.967,416 1,417 1,418 2.136,419 0.965,420 1.849,421 0.806,422 3.122,423 1.55,424 0.614,425 0.733,426 1.442,427 0.573,428 1.452,429 0.444,430 2.993,431 0.192,432 0.229,433 0.491,434 0.181,435 14.633,436 0.472,437 0.677,438 0.022,439 42,440 1.355,441 21,442 0.677,443 21,444 0.677,445 23.706,446 0.765,447 0.575,448 32.386,449 1.045,450 8.549,451 0.276,452 6.531,453 0.211,454 0.084,456 0.294,458 0.94,459 1.478,460 0.839,461 1.113,462 0.743,463 0.977,464 0.91,465 1.024,466 0.929,467 0.934,468 0.483,469 0.924,470 1.072,471 1.234,472 1.064,473 1.139,474 0.857,475 1.104,476 0.667,477 1.015,478 0.987,479 1.09,480 0.662,481 1.085,482 8.208}
{0 CHEMBL470963,1 0.902,2 83.664,3 32.755,4 1.139,5 2.325,6 13.898,7 0.869,8 1,9 448.615,10 3,11 6,12 6,13 7.437,14 62,15 35.807,16 0.523,17 1,18 19.187,19 0.744,20 50.594,21 1.495,22 1.495,23 0.29,24 53.056,25 6,26 9,27 2.672,28 544.495,29 1.385,30 1.69,31 2.131,32 30.26,33 7.728,34 0.909,35 4.874,36 5.132,37 1.831,38 1.831,39 0.842,40 4.094,41 5.806,42 18.766,43 12.665,44 6.019,45 6.861,46 1.9,47 6.092,48 4.578,49 2.877,50 1.153,51 14.687,52 0.129,53 0.189,54 0.089,55 11.466,56 13.194,57 4.924,58 2.866,59 4.014,60 4.892,61 2.603,62 11.1,63 4.428,64 1743,65 3.485,66 2.387,67 1.095,68 33.648,69 1.735,70 26541.4,71 163.477,72 36.183,73 29.6,74 3.854,75 2.067,76 16.845,77 118.575,78 34.682,79 0.409,80 2.056,81 -0.073,82 1.512,83 2.477,84 41086,85 0.014,86 1.687,87 3.111,88 9.68,89 7.824,90 0.529,91 4.105,92 4.232,93 3.703,94 3.594,95 5.27,96 3.603,97 4.621,98 4.792,99 4.042,100 3.961,101 3.949,102 4.863,103 5.07,104 4.083,105 5.976,106 4.047,107 5.121,108 4.053,109 3.981,110 3.894,111 4.011,112 5.881,113 3.928,114 4.765,115 5.007,116 3.894,117 3.92,118 5.874,119 3.861,120 4.639,121 4.857,122 3.907,123 3.844,124 5.809,125 3.82,126 4.639,127 4.845,128 3.939,129 3.811,130 6.092,131 3.791,132 0.106,133 10.302,134 4.383,135 13.401,136 5.63,137 1.395,138 19.831,139 7.369,140 38.682,141 9.548,142 0.518,143 27.528,144 9.075,145 12.346,146 1.707,147 29.382,148 9.691,149 13.361,150 1.532,151 9.512,152 13.819,153 0.566,154 1.4,155 26.708,156 8.245,157 61.982,158 11.907,159 0.404,160 1.343,161 22.373,162 7.228,163 39.06,164 9.871,165 0.678,166 22.26,167 6.734,168 96.359,169 9.452,170 11,171 46,172 0.278,173 0.638,174 0.772,175 0.833,176 0.851,177 0.851,178 3.471,179 0.877,180 -3.84,181 -3.8,182 -3.61,184 40.7,189 5,192 8,193 2,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 5,214 1,215 4,216 5,217 1,218 1,219 2,222 3,223 4,225 2,226 5,227 2,228 4,229 2,230 3,231 1,232 1,235 7,237 1,239 1,240 1,242 6,244 1,245 1,246 4,247 1,248 4,249 1,250 2,251 3,254 4,255 3,257 1,259 6,261 1,263 6,265 2,267 4,270 5,272 1,274 4,276 4,277 3,278 21.137,279 21.137,280 21.137,281 21.137,282 21.137,283 21.67,284 16.793,285 16.793,286 16.793,287 16.793,288 16.793,289 13.254,290 17.68,291 4.068,292 1.884,293 1.074,294 0.704,295 0.593,296 0.593,297 4.17,300 1,301 885,302 3.162,305 2.071,308 1,309 1,310 1,311 0.8,312 0.5,313 1,314 1,315 0.9,316 68.5,317 409,318 4.371,319 3.541,320 6.426,321 3.98,322 3.012,323 4.013,324 0.98,325 9.854,326 2.922,327 4.158,328 3.189,329 6.143,330 3.819,331 2.87,332 3.771,333 0.86,334 9.057,335 2.726,336 4.142,337 3.127,338 6.02,339 3.751,340 2.783,341 3.694,342 0.8,343 8.543,344 2.687,345 3.8,346 5.562,347 2.543,348 3.112,349 0.657,350 7.598,351 3.522,352 5.099,353 3.116,354 2.161,355 2.811,356 0.4,357 6.144,358 2.052,359 3.189,360 4.777,361 2.833,362 1.889,363 2.348,365 5.075,366 1.772,367 2.954,368 2.685,369 1.76,370 2.076,372 4.447,373 1.623,374 2.903,375 1.975,376 4.199,377 2.008,378 3.844,379 1.465,380 2.842,381 1.576,382 3.704,383 2.378,384 1.414,385 1.971,386 2.983,387 1.345,388 2.659,389 1.515,390 3.603,391 2.136,392 1.187,393 1.669,394 2.766,395 1.119,396 2.5,397 1.438,398 3.504,399 2.03,400 1.123,401 1.5,402 2.674,403 1.004,404 2.257,405 1.256,406 3.414,407 2,408 1,409 1.242,410 2.275,411 1,412 2,413 1,414 3.247,415 1.952,416 1,417 1,418 2.136,419 0.946,420 1.901,421 0.834,422 3.189,423 1.596,424 0.656,425 0.791,426 1.527,427 0.614,428 1.437,429 0.461,430 2.971,431 0.155,432 0.189,433 0.408,434 0.145,435 14.352,436 0.463,437 0.661,438 0.021,439 42,440 1.355,441 21,442 0.677,443 21,444 0.677,445 23.228,446 0.749,447 0.623,448 33.276,449 1.073,450 8.656,451 0.279,452 6.441,453 0.208,454 0.071,456 0.307,458 0.789,459 1.256,460 0.747,461 1.081,462 0.636,463 0.926,464 0.895,465 1.021,466 0.891,467 1.002,468 0.569,469 0.959,470 1.065,471 1.202,472 1.004,473 1.053,474 0.9,475 1.021,476 0.854,477 1.021,478 1.085,479 1.099,480 0.98,481 1.138,482 8.854}
{0 CHEMBL470964,1 0.846,2 70.998,3 34.106,4 1.139,5 2.497,6 13.092,7 0.933,8 1,9 452.561,10 3,11 6,12 6,13 7.437,14 54.181,15 34.63,16 0.47,17 1,18 19.187,19 0.637,20 53.438,21 1.735,22 1.735,23 0.29,24 54.668,25 6,26 9,27 3.271,28 544.495,29 1.281,30 1.667,31 2.312,32 29.848,33 7.867,34 0.909,35 4.866,36 5.128,37 1.831,38 1.831,39 0.835,40 4.071,41 5.814,42 18.741,43 12.613,44 6.03,45 6.833,46 1.9,47 6.014,48 4.577,49 2.878,50 1.153,51 14.687,52 0.129,53 0.189,54 0.089,55 11.443,56 13.677,57 4.922,58 2.866,59 3.977,60 4.88,61 2.675,62 11.1,63 4.746,64 1777,65 3.485,66 2.387,67 1.095,68 33.648,69 1.735,70 26940.5,71 163.923,72 37.386,73 29.694,74 3.892,75 2.067,76 16.845,77 118.575,78 34.682,79 0.409,80 2.057,81 -0.074,82 1.506,83 2.663,84 42494,85 -0.035,86 1.687,87 3.111,88 9.68,89 7.824,90 0.529,91 4.105,92 4.232,93 3.703,94 3.594,95 5.269,96 3.603,97 4.621,98 4.792,99 4.042,100 3.961,101 3.949,102 4.863,103 5.071,104 4.084,105 5.972,106 4.042,107 5.113,108 4.054,109 3.972,110 3.889,111 4.012,112 5.838,113 3.924,114 4.769,115 5.011,116 3.868,117 3.92,118 5.873,119 3.858,120 4.634,121 4.855,122 3.848,123 3.846,124 5.765,125 3.806,126 4.621,127 4.834,128 3.855,129 3.812,130 5.864,131 3.778,132 0.106,133 10.302,134 4.383,135 13.397,136 5.63,137 1.395,138 19.831,139 7.369,140 38.984,141 9.548,142 0.539,143 27.607,144 9.071,145 12.338,146 1.608,147 28.783,148 9.654,149 13.688,150 1.485,151 9.477,152 14.103,153 0.614,154 1.4,155 26.993,156 8.259,157 67.181,158 11.757,159 0.42,160 1.272,161 22.326,162 7.203,163 42.132,164 9.997,165 0.433,166 21.559,167 6.72,168 49.23,169 9.574,170 11,171 46,172 0.278,173 0.638,174 0.766,175 0.814,176 0.827,177 0.827,178 3.471,179 0.876,180 -3.84,181 -3.8,182 -3.61,184 40.7,189 5,192 8,193 2,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 5,214 1,215 4,216 5,217 1,218 1,219 2,222 4,223 4,225 2,226 5,227 2,228 4,229 2,230 3,231 1,232 1,235 8,237 1,240 2,242 6,244 1,245 1,246 4,247 1,248 4,249 1,250 2,251 4,254 6,255 2,257 2,259 6,261 1,263 6,265 2,267 4,270 3,272 1,274 2,276 6,277 2,278 21.085,279 21.085,280 21.085,281 21.085,282 21.085,283 21.629,284 16.798,285 16.798,286 16.798,287 16.798,288 16.798,289 13.275,290 17.703,291 4.068,292 1.884,293 1.111,294 0.815,295 0.741,296 0.741,297 4.17,300 1,301 918,302 3.162,305 2.139,308 1,309 1,310 1,311 0.8,312 0.5,313 1,314 1,315 0.9,316 68.5,317 424,318 4.369,319 3.54,320 6.425,321 3.978,322 3.01,323 4.012,324 0.98,325 9.852,326 2.921,327 4.144,328 3.127,329 6.143,330 3.819,331 2.87,332 3.695,333 0.86,334 9.057,335 2.726,336 4.009,337 2.966,338 5.562,339 3.592,340 2.613,341 3.613,342 0.8,343 7.598,344 2.558,345 3.8,346 5.416,347 2.542,348 3.112,349 0.657,350 7.159,351 3.523,352 5.098,353 3.123,354 2.166,355 2.811,356 0.4,357 6.144,358 2.057,359 3.428,360 4.9,361 3.05,362 2.111,363 2.711,365 5.715,366 1.964,367 3.152,368 2.779,369 1.833,370 2.311,372 4.979,373 1.723,374 2.949,375 2.056,376 4.427,377 2.008,378 4.442,379 1.603,380 2.662,381 1.551,382 3.706,383 2.141,384 1.19,385 1.67,386 2.771,387 1.124,388 2.5,389 1.493,390 3.504,391 2.03,392 1.124,393 1.5,394 2.675,395 1.004,396 2.5,397 1.256,398 3.414,399 2,400 1,401 1.5,402 2.275,403 1,404 2.257,405 1,406 3.414,407 2,408 1,409 1.242,410 2.275,411 1,412 2,413 1,414 3.247,415 1.952,416 1,417 1,418 2.136,419 0.946,420 1.914,421 0.988,422 3.226,423 1.63,424 0.702,425 0.82,426 1.645,427 0.647,428 1.437,429 0.478,430 2.971,431 0.155,432 0.189,433 0.409,434 0.145,435 14.352,436 0.463,437 0.677,438 0.022,439 42,440 1.355,441 21,442 0.677,443 21,444 0.677,445 23.055,446 0.744,447 0.623,448 33.08,449 1.067,450 8.641,451 0.279,452 6.44,453 0.208,454 0.071,456 0.307,458 0.789,459 1.256,460 0.747,461 1.081,462 0.637,463 0.926,464 0.895,465 1.021,466 0.891,467 1.002,468 0.554,469 0.959,470 1.085,471 1.167,472 1.047,473 1.049,474 0.917,475 1.04,476 0.672,477 0.95,478 1.031,479 1.097,480 0.711,481 1.136,482 6.187}
{0 CHEMBL471113,1 0.986,2 62.004,3 33.938,4 1.135,5 2.155,7 0.931,9 434.285,10 2,11 8,12 8,13 5.018,14 41.971,15 23.415,16 0.302,18 4.227,19 0.507,20 35.06,21 1.472,22 1.472,23 0.299,24 57.466,25 7,26 8,27 4.189,28 420.982,29 1.228,30 1.613,31 1.951,32 29.952,33 7.622,34 0.885,35 4.867,36 5.134,37 1.853,38 1.856,39 0.966,40 4.013,41 5.72,42 18.319,43 12.526,44 5.995,45 6.667,47 5.962,48 4.168,49 2.757,50 1.153,51 14.687,52 0.132,53 0.195,54 0.091,55 11.056,56 13.1,57 4.876,58 2.866,59 3.943,60 4.902,61 2.537,62 12.7,63 4.427,64 1612,65 3.485,66 2.39,67 1.094,68 32.067,69 1.727,70 24182.8,71 156.72,72 35.031,73 28.87,74 3.839,75 2.073,76 16.636,77 120.039,78 34.606,79 0.278,80 2.066,81 -0.09,82 1.491,83 2.466,84 32427,85 -0.062,86 1.529,87 2.64,88 6.967,89 7.337,90 0.545,91 4.109,92 4.252,93 3.659,94 3.611,95 5.214,96 3.6,97 4.62,98 4.81,99 3.984,100 3.989,101 3.947,102 4.883,103 5.115,104 4.115,105 5.865,106 4.04,107 5.151,108 4.073,109 3.971,110 3.853,111 4.026,112 5.805,113 3.923,114 4.766,115 5.021,116 3.821,117 3.946,118 5.777,119 3.861,120 4.655,121 4.892,122 3.813,123 3.876,124 5.718,125 3.811,126 4.635,127 4.861,128 3.782,129 3.832,130 5.776,131 3.773,132 0.047,133 11.595,134 4.261,135 10.008,136 6.124,137 1.366,138 20.98,139 7.213,140 31.828,141 10.507,142 0.271,143 29.117,144 9.292,145 14.014,146 1.578,147 30.476,148 9.856,149 14.842,150 1.491,151 9.42,152 14.444,153 0.35,154 1.372,155 26.858,156 8.188,157 44.544,158 12.521,159 0.256,160 1.265,161 23.422,162 7.351,163 33.243,164 11.022,165 0.233,166 22.828,167 6.934,168 41.496,169 10.352,170 6,171 44,172 0.251,173 0.596,174 0.725,175 0.81,176 0.83,177 0.83,178 3.44,179 0.906,180 -3.73,181 -3.69,182 -3.51,184 40,189 5,192 9,193 2,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 5,214 1,215 4,216 5,217 1,219 2,221 1,222 4,223 5,225 2,226 5,227 2,228 4,229 2,230 3,231 1,232 1,235 6,237 1,239 3,240 2,242 4,244 1,245 1,246 6,247 1,248 4,249 1,250 2,251 5,254 6,255 3,257 2,259 6,262 1,263 6,265 2,267 4,270 5,272 1,274 4,276 6,277 3,278 20.637,279 20.637,280 20.637,281 20.637,282 20.637,283 21.036,284 16.332,285 16.332,286 16.332,287 16.332,288 16.332,289 12.87,290 16.994,291 4.252,292 2.156,293 1.369,294 0.85,295 0.727,296 0.727,297 4.141,300 1,301 854,302 3.082,305 2.04,308 1,309 1,310 1,311 0.8,312 0.5,313 1,314 1,315 0.9,316 64.5,317 393,318 4.369,319 3.54,320 6.425,321 3.977,322 3.009,323 4.012,324 0.98,325 9.852,326 2.921,327 4.144,328 3.115,329 6.143,330 3.82,331 2.87,332 3.695,333 0.8,334 9.057,335 2.728,336 3.894,337 2.903,338 5.562,339 3.509,340 2.547,341 3.442,342 0.657,343 7.598,344 2.5,345 3.8,346 5.347,347 2.509,348 3.112,349 0.4,350 6.975,351 3.522,352 5.094,353 3.117,354 2.16,355 2.811,356 0.4,357 6.14,358 2.054,359 3.181,360 4.761,361 2.822,362 1.866,363 2.344,365 5.015,366 1.773,367 2.954,368 2.7,369 1.753,370 2.069,372 4.443,373 1.656,374 2.902,375 1.655,376 3.716,377 2.006,378 3.133,379 1.461,380 2.66,381 1.45,382 3.623,383 2.142,384 1.187,385 1.669,386 2.764,387 1.126,388 2.5,389 1.415,390 3.504,391 2.067,392 1.123,393 1.5,394 2.673,395 1.054,396 2.5,397 1.146,398 3.414,399 2,400 1,401 1.5,402 2.275,403 1,404 2.257,405 1,406 3.247,407 2,408 1,409 1.242,410 2.136,411 1,412 2,413 1,414 3.247,415 1.967,416 1,417 1,418 2.136,419 0.965,420 1.849,421 0.806,422 3.122,423 1.55,424 0.614,425 0.733,426 1.441,427 0.573,428 1.43,429 0.425,430 2.971,431 0.153,432 0.186,433 0.404,434 0.144,435 14.133,436 0.471,437 0.571,438 0.019,439 41.25,440 1.375,441 21,442 0.7,443 20.25,444 0.675,445 21.951,446 0.732,447 0.583,448 31.2,449 1.04,450 8.38,451 0.279,452 6.307,453 0.21,454 0.052,456 0.276,458 0.968,459 1.396,460 0.832,461 1.049,462 0.752,463 0.93,464 0.829,465 1.097,466 0.945,467 1.031,468 0.507,469 1.002,470 1.066,471 1.171,472 1.003,473 1.056,474 0.854,475 1.023,476 0.724,477 0.99,478 1.006,479 1.067,480 0.701,481 1.076,482 8.155}
{0 CHEMBL471114,1 0.973,2 59.911,3 32.478,4 1.132,5 2.315,7 0.939,9 434.285,10 2,11 8,12 8,13 5.018,14 44.038,15 25.176,16 0.348,18 4.227,19 0.509,20 36.491,21 1.472,22 1.472,23 0.299,24 54.006,25 6,26 8,27 4.106,28 450.384,29 1.206,30 1.544,31 2.064,32 29.824,33 7.622,34 0.844,35 4.862,36 5.126,37 1.83,38 1.832,39 0.938,40 4.014,41 5.733,42 18.319,43 12.526,44 5.995,45 6.667,47 5.951,48 4.171,49 2.759,50 1.153,51 14.687,52 0.132,53 0.195,54 0.091,55 11.053,56 13.1,57 4.876,58 2.866,59 3.944,60 4.868,61 2.544,62 11.1,63 4.427,64 1612,65 3.484,66 2.387,67 1.092,68 32.133,69 1.727,70 24182.8,71 156.72,72 35.031,73 28.87,74 3.839,75 2.067,76 16.545,77 118.358,78 34.299,79 0.339,80 2.057,81 -0.092,82 1.491,83 2.466,84 34377,85 -0.082,86 1.576,87 2.906,88 8.444,89 7.491,90 0.545,91 4.096,92 4.227,93 3.665,94 3.595,95 5.217,96 3.592,97 4.611,98 4.786,99 3.988,100 3.963,101 3.934,102 4.847,103 5.061,104 4.087,105 5.862,106 4.024,107 5.106,108 4.056,109 3.961,110 3.858,111 4.013,112 5.812,113 3.916,114 4.755,115 5.002,116 3.825,117 3.922,118 5.783,119 3.847,120 4.624,121 4.849,122 3.813,123 3.848,124 5.71,125 3.795,126 4.61,127 4.828,128 3.784,129 3.815,130 5.773,131 3.763,132 0.056,133 11.031,134 4.355,135 9.89,136 5.916,137 1.301,138 20.582,139 7.323,140 34.258,141 9.992,142 0.367,143 27.693,144 9.006,145 13.025,146 1.552,147 28.859,148 9.609,149 14.181,150 1.477,151 9.476,152 14.258,153 0.408,154 1.332,155 26.636,156 8.238,157 46.985,158 12.139,159 0.303,160 1.221,161 22.471,162 7.175,163 33.199,164 10.361,165 0.287,166 21.873,167 6.708,168 41.168,169 9.856,170 6,171 44,172 0.26,173 0.61,174 0.743,175 0.806,176 0.827,177 0.827,178 3.44,179 0.894,180 -3.73,181 -3.69,182 -3.51,184 40.7,189 5,192 9,193 2,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 5,214 1,215 4,216 5,217 1,218 1,219 2,222 4,223 5,225 2,226 5,227 2,228 4,229 2,230 3,231 1,232 1,235 8,237 1,239 1,240 2,242 6,244 1,245 1,246 4,247 1,248 4,249 1,250 2,251 5,254 6,255 3,257 2,259 6,261 1,263 6,265 2,267 4,270 5,272 1,274 4,276 6,277 3,278 20.637,279 20.637,280 20.637,281 20.637,282 20.637,283 21.119,284 16.332,285 16.332,286 16.332,287 16.332,288 16.332,289 12.87,290 17.111,291 4.179,292 2.055,293 1.246,294 0.866,295 0.741,296 0.741,297 4.141,300 1,301 854,302 3.082,305 2.04,308 1,309 1,310 1,311 0.8,312 0.5,313 1,314 1,315 0.9,316 65,317 393,318 4.369,319 3.54,320 6.425,321 3.977,322 3.009,323 4.012,324 0.98,325 9.852,326 2.921,327 4.144,328 3.127,329 6.143,330 3.819,331 2.87,332 3.695,333 0.86,334 9.057,335 2.726,336 3.894,337 2.904,338 5.562,339 3.509,340 2.547,341 3.442,342 0.8,343 7.598,344 2.5,345 3.8,346 5.347,347 2.509,348 3.112,349 0.657,350 6.975,351 3.522,352 5.094,353 3.114,354 2.16,355 2.811,356 0.4,357 6.14,358 2.05,359 3.181,360 4.761,361 2.815,362 1.866,363 2.344,365 5.015,366 1.759,367 2.954,368 2.679,369 1.753,370 2.069,372 4.443,373 1.619,374 2.902,375 1.659,376 3.716,377 2.006,378 3.133,379 1.46,380 2.66,381 1.517,382 3.623,383 2.136,384 1.187,385 1.669,386 2.764,387 1.12,388 2.5,389 1.438,390 3.504,391 2.03,392 1.123,393 1.5,394 2.673,395 1.004,396 2.5,397 1.256,398 3.414,399 2,400 1,401 1.5,402 2.275,403 1,404 2.257,405 1,406 3.247,407 2,408 1,409 1.242,410 2.136,411 1,412 2,413 1,414 3.247,415 1.952,416 1,417 1,418 2.136,419 0.946,420 1.849,421 0.806,422 3.122,423 1.55,424 0.614,425 0.733,426 1.441,427 0.573,428 1.43,429 0.429,430 2.971,431 0.153,432 0.186,433 0.404,434 0.143,435 14.067,436 0.469,437 0.571,438 0.019,439 41.25,440 1.375,441 21,442 0.7,443 20.25,444 0.675,445 21.813,446 0.727,447 0.595,448 31.339,449 1.045,450 8.437,451 0.281,452 6.25,453 0.208,454 0.052,456 0.277,458 0.92,459 1.384,460 0.799,461 1.082,462 0.752,463 0.936,464 1.033,465 1.06,466 0.953,467 1,468 0.596,469 0.974,470 1.11,471 1.215,472 1.037,473 1.05,474 0.911,475 1.035,476 0.627,477 1.031,478 1.014,479 1.102,480 0.692,481 1.115,482 8.187}
{0 CHEMBL471130,1 0.954,2 75.762,3 33.149,4 1.134,5 2.322,7 0.9,9 448.615,10 3,11 6,12 6,13 6.469,14 57.414,15 32.431,16 0.485,18 4.227,19 0.665,20 44.959,21 1.495,22 1.495,23 0.29,24 53.738,25 6,26 9,27 3.554,28 490.534,29 1.231,30 1.561,31 2.092,32 31.699,33 7.728,34 0.854,35 4.913,36 5.175,37 1.831,38 1.831,39 0.938,40 4.084,41 5.789,42 18.766,43 12.665,44 6.019,45 6.861,47 6.068,48 4.578,49 2.869,50 1.153,51 15.097,52 0.129,53 0.189,54 0.089,55 11.432,56 13.194,57 4.924,58 2.866,59 4.007,60 4.913,61 2.592,62 10.9,63 4.428,64 1743,65 3.485,66 2.387,67 1.095,68 33.6,69 1.735,70 26541.4,71 163.477,72 36.183,73 29.6,74 3.854,75 2.067,76 16.914,77 120.052,78 35.014,79 0.381,80 2.056,81 -0.125,82 1.512,83 2.479,84 39382,85 -0.019,86 1.628,87 2.638,88 6.961,89 7.646,90 0.529,91 4.123,92 4.248,93 3.7,94 3.602,95 5.284,96 3.609,97 4.628,98 4.796,99 4.035,100 3.973,101 3.957,102 4.873,103 5.077,104 4.104,105 5.952,106 4.06,107 5.137,108 4.082,109 4.001,110 3.893,111 4.037,112 5.885,113 3.944,114 4.786,115 5.03,116 3.885,117 3.938,118 5.858,119 3.872,120 4.655,121 4.871,122 3.896,123 3.865,124 5.791,125 3.835,126 4.659,127 4.856,128 3.92,129 3.844,130 6.023,131 3.814,132 0.108,133 11.069,134 4.408,135 14.922,136 5.807,137 1.311,138 20.419,139 7.38,140 36.808,141 9.878,142 0.46,143 27.982,144 9.06,145 12.837,146 1.58,147 29.927,148 9.825,149 14.129,150 1.512,151 9.757,152 14.664,153 0.518,154 1.347,155 27.461,156 8.407,157 57.328,158 12.399,159 0.373,160 1.239,161 22.897,162 7.171,163 36.245,164 10.202,165 0.55,166 22.591,167 6.913,168 77.443,169 10.001,170 11,171 46,172 0.268,173 0.646,174 0.776,175 0.836,176 0.854,177 0.854,178 3.471,179 0.88,180 -2.99,181 -2.99,182 -2.89,184 40,189 5,192 8,193 2,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 5,214 1,215 4,216 7,217 1,218 1,219 2,222 5,223 4,225 2,226 5,227 2,228 4,229 3,230 4,231 1,232 1,235 7,237 1,239 1,240 1,242 6,244 2,245 1,246 5,247 1,248 4,249 1,250 2,251 3,254 4,255 3,257 1,259 6,261 3,262 2,263 6,264 1,265 2,267 4,270 5,272 1,274 4,276 4,277 3,278 21.137,279 21.137,280 21.137,281 21.137,282 21.137,283 21.652,284 16.793,285 16.793,286 16.793,287 16.793,288 16.793,289 13.254,290 17.642,291 4.153,292 1.85,293 1.055,294 0.691,295 0.582,296 0.582,297 4.17,300 1,301 885,302 3.162,305 2.071,308 1,309 0.83,310 1,311 0.8,313 1,314 1,315 0.8,316 68,317 409,318 4.371,319 3.54,320 6.426,321 3.98,322 3.012,323 4.013,324 0.98,325 9.854,326 2.923,327 4.158,328 3.127,329 6.143,330 3.819,331 2.87,332 3.771,333 0.86,334 9.057,335 2.727,336 4.142,337 3.061,338 6.02,339 3.76,340 2.783,341 3.694,342 0.8,343 8.543,344 2.715,345 3.8,346 5.562,347 2.543,348 3.112,349 0.657,350 7.598,351 3.522,352 5.099,353 3.116,354 2.161,355 2.811,356 0.4,357 6.144,358 2.052,359 3.189,360 4.777,361 2.834,362 1.889,363 2.348,365 5.075,366 1.774,367 2.954,368 2.685,369 1.76,370 2.076,372 4.447,373 1.624,374 2.903,375 1.862,376 4.199,377 2.008,378 3.844,379 1.468,380 2.842,381 1.535,382 3.704,383 2.39,384 1.414,385 1.971,386 2.983,387 1.372,388 2.659,389 1.506,390 3.603,391 2.136,392 1.187,393 1.669,394 2.766,395 1.119,396 2.5,397 1.438,398 3.504,399 2.03,400 1.123,401 1.5,402 2.674,403 1.004,404 2.257,405 1.256,406 3.414,407 2,408 1,409 1.242,410 2.275,411 1,412 2,413 1,414 3.247,415 1.952,416 1,417 1,418 2.136,419 0.946,420 1.901,421 0.831,422 3.189,423 1.597,424 0.656,425 0.791,426 1.527,427 0.615,428 1.437,429 0.442,430 2.971,431 0.155,432 0.189,433 0.408,434 0.145,435 14.4,436 0.465,437 0.661,438 0.021,439 42.5,440 1.371,441 21.5,442 0.694,443 21,444 0.677,445 22.976,446 0.741,447 0.611,448 33.529,449 1.082,450 8.693,451 0.28,452 6.404,453 0.207,454 0.074,456 0.306,458 0.963,459 1.375,460 0.799,461 1.065,462 0.838,463 0.917,464 0.954,465 1.078,466 0.913,467 1.012,468 0.577,469 0.965,470 1.087,471 1.235,472 1.018,473 1.068,474 0.905,475 1.034,476 0.76,477 1.049,478 1.07,479 1.126,480 0.867,481 1.157,482 7.658}
{0 CHEMBL471131,1 0.976,2 66.826,3 32.734,4 1.131,5 2.326,7 0.811,8 1,9 448.615,10 3,11 6,12 8,13 5.023,14 49.837,15 29.243,16 0.448,18 4.227,19 0.632,20 40.709,21 1.495,22 1.495,23 0.29,24 53.02,25 6,26 9,27 4.387,28 484.588,29 1.174,30 1.521,31 2.137,32 32.178,33 7.728,34 0.834,35 4.87,36 5.124,37 1.83,38 1.831,39 0.942,40 4.162,41 5.762,42 18.766,43 12.665,44 6.019,45 6.861,46 1.9,47 6.014,48 4.348,49 2.877,50 1.153,51 15.386,52 0.129,53 0.189,54 0.089,55 11.415,56 13.194,57 4.924,58 2.893,59 4.074,60 4.883,61 2.604,62 11.1,63 4.428,64 1743,65 3.485,66 2.387,67 1.094,68 33.219,69 1.735,70 26541.4,71 163.477,72 36.183,73 29.6,74 3.854,75 2.066,76 17.601,77 123.163,78 35.127,79 0.38,80 2.056,81 -0.095,82 1.512,83 2.473,84 41086,85 0.068,86 1.687,87 3.57,88 12.746,89 8.129,90 0.529,91 4.102,92 4.226,93 3.736,94 3.619,95 5.236,96 3.615,97 4.618,98 4.785,99 4.089,100 3.995,101 3.966,102 4.857,103 5.06,104 4.135,105 5.91,106 4.072,107 5.104,108 4.102,109 4.004,110 3.926,111 4.04,112 5.841,113 3.941,114 4.761,115 5.001,116 3.952,117 3.949,118 5.822,119 3.878,120 4.634,121 4.848,122 3.987,123 3.901,124 5.745,125 3.849,126 4.629,127 4.825,128 4.062,129 3.865,130 5.925,131 3.823,132 0.086,133 9.95,134 4.344,135 11.011,136 5.608,137 1.286,138 19.752,139 7.441,140 35.602,141 9.65,142 0.454,143 28.878,144 9.498,145 12.808,146 1.525,147 33.025,148 10.167,149 14.124,150 1.468,151 10,152 14.274,153 0.5,154 1.321,155 27.551,156 8.561,157 52.322,158 12.046,159 0.362,160 1.203,161 23.197,162 7.562,163 33.317,164 10.228,165 0.498,166 25.236,167 7.038,168 58.078,169 9.671,170 11,171 46,172 0.278,173 0.638,174 0.772,175 0.833,176 0.851,177 0.851,178 3.471,179 0.91,180 -3.94,181 -3.9,182 -3.7,184 40.7,189 5,192 8,193 2,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 5,214 1,215 4,216 5,217 1,218 1,219 2,222 3,223 6,225 2,226 5,227 2,228 4,229 2,230 4,231 1,232 2,235 7,237 1,239 1,240 1,242 7,244 1,245 1,246 4,247 1,248 5,249 1,250 2,251 3,254 4,255 3,257 1,259 8,261 1,263 8,265 2,267 5,270 5,272 1,274 4,276 4,277 3,278 21.137,279 21.137,280 21.137,281 21.137,282 21.137,283 21.73,284 16.793,285 16.793,286 16.793,287 16.793,288 16.793,289 13.254,290 17.808,291 4.068,292 1.884,293 1.074,294 0.704,295 0.593,296 0.593,297 4.17,298 1,300 1,301 885,302 3.162,305 2.071,308 1,309 1,310 1,311 0.8,312 0.5,313 1,314 1,315 0.9,316 67.333,317 409,318 4.371,319 3.541,320 6.426,321 3.98,322 3.012,323 4.013,324 0.98,325 9.854,326 2.921,327 4.158,328 3.202,329 6.143,330 3.819,331 2.87,332 3.771,333 0.86,334 9.057,335 2.726,336 4.142,337 3.127,338 6.02,339 3.727,340 2.783,341 3.694,342 0.8,343 8.543,344 2.602,345 3.8,346 5.562,347 2.543,348 3.112,349 0.657,350 7.598,351 3.522,352 5.099,353 3.116,354 2.161,355 2.811,356 0.4,357 6.144,358 2.051,359 3.189,360 4.777,361 2.831,362 1.889,363 2.348,365 5.075,366 1.766,367 2.954,368 2.684,369 1.76,370 2.076,372 4.447,373 1.621,374 2.903,375 1.982,376 4.199,377 2.008,378 3.844,379 1.462,380 2.842,381 1.579,382 3.704,383 2.342,384 1.414,385 1.971,386 2.983,387 1.234,388 2.659,389 1.515,390 3.603,391 2.135,392 1.187,393 1.669,394 2.766,395 1.119,396 2.5,397 1.438,398 3.504,399 2.03,400 1.123,401 1.5,402 2.674,403 1.004,404 2.257,405 1.256,406 3.414,407 2,408 1,409 1.242,410 2.275,411 1,412 2,413 1,414 3.247,415 1.952,416 1,417 1,418 2.136,419 0.946,420 1.901,421 0.834,422 3.189,423 1.592,424 0.656,425 0.791,426 1.527,427 0.607,428 1.437,429 0.464,430 2.971,431 0.155,432 0.189,433 0.408,434 0.145,435 14.781,436 0.477,437 0.661,438 0.021,439 42,440 1.355,441 21,442 0.677,443 21,444 0.677,445 24.126,446 0.778,447 0.615,448 32.379,449 1.044,450 8.525,451 0.275,452 6.572,453 0.212,454 0.098,456 0.298,458 0.868,459 1.381,460 0.654,461 0.996,462 0.725,463 0.889,464 0.979,465 1.052,466 0.779,467 0.912,468 0.583,469 0.92,470 1.102,471 1.206,472 0.953,473 0.987,474 0.909,475 0.995,476 0.732,477 1.041,478 1.171,479 1.175,480 0.775,481 1.172,482 8.102}
{0 CHEMBL471559,1 0.987,2 62.024,3 34.079,4 1.131,5 2.453,7 0.752,8 1,9 450.446,10 3,11 6,12 8,13 5.023,14 52.318,15 28.922,16 0.487,18 4.227,19 0.568,20 41.757,21 1.727,22 1.727,23 0.29,24 55.618,25 6,26 9,27 4.505,28 484.588,29 1.187,30 1.524,31 2.308,32 33.455,33 7.795,34 0.834,35 4.872,36 5.124,37 1.83,38 1.831,39 0.939,40 4.12,41 5.766,42 18.741,43 12.646,44 6.044,45 6.833,46 1.9,47 5.982,48 4.362,49 2.879,50 1.153,51 15.369,52 0.129,53 0.189,54 0.089,55 11.412,56 13.226,57 4.923,58 2.889,59 4.053,60 4.876,61 2.647,62 11.1,63 4.693,64 1760,65 3.485,66 2.387,67 1.092,68 33.219,69 1.735,70 26742.8,71 163.705,72 36.785,73 29.645,74 3.87,75 2.067,76 17.601,77 123.163,78 35.127,79 0.38,80 2.056,81 -0.097,82 1.506,83 2.655,84 41790,85 0.017,86 1.687,87 3.57,88 12.746,89 8.129,90 0.529,91 4.102,92 4.226,93 3.736,94 3.619,95 5.236,96 3.615,97 4.618,98 4.785,99 4.089,100 3.995,101 3.966,102 4.857,103 5.06,104 4.126,105 5.907,106 4.061,107 5.105,108 4.091,109 3.996,110 3.941,111 4.04,112 5.859,113 3.942,114 4.761,115 5.001,116 3.891,117 3.945,118 5.804,119 3.869,120 4.631,121 4.848,122 3.941,123 3.877,124 5.751,125 3.827,126 4.62,127 4.826,128 3.963,129 3.87,130 5.806,131 3.819,132 0.086,133 9.95,134 4.344,135 10.969,136 5.608,137 1.286,138 19.752,139 7.441,140 35.881,141 9.65,142 0.465,143 29.331,144 9.492,145 12.81,146 1.539,147 29.754,148 10.003,149 14.075,150 1.462,151 10.008,152 14.282,153 0.484,154 1.326,155 27.725,156 8.625,157 51.24,158 12.06,159 0.386,160 1.208,161 22.933,162 7.408,163 36.902,164 10.196,165 0.347,166 22.296,167 7.111,168 40.065,169 9.686,170 11,171 46,172 0.278,173 0.638,174 0.778,175 0.839,176 0.851,177 0.851,178 3.471,179 0.91,180 -3.94,181 -3.9,182 -3.7,184 40.7,189 5,192 8,193 2,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 5,214 1,215 4,216 5,217 1,218 1,219 2,222 4,223 6,225 2,226 5,227 2,228 4,229 2,230 2,231 1,232 2,235 8,237 1,239 2,240 2,242 5,244 1,245 1,246 4,247 1,248 3,249 1,250 2,251 6,254 6,255 4,257 2,259 4,261 1,263 4,265 2,267 3,270 7,272 1,274 6,276 6,277 4,278 21.085,279 21.085,280 21.085,281 21.085,282 21.085,283 21.703,284 16.815,285 16.815,286 16.815,287 16.815,288 16.815,289 13.281,290 17.861,291 4.068,292 1.884,293 1.037,294 0.667,295 0.593,296 0.593,297 4.17,298 1,300 1,301 887,302 3.162,305 2.104,308 1,309 1,310 1,311 0.8,312 0.5,313 1,314 1,315 0.9,316 67.333,317 410,318 4.369,319 3.54,320 6.425,321 3.978,322 3.01,323 4.012,324 0.98,325 9.852,326 2.921,327 4.144,328 3.127,329 6.143,330 3.819,331 2.87,332 3.695,333 0.86,334 9.057,335 2.726,336 4.039,337 3.021,338 5.562,339 3.608,340 2.647,341 3.645,342 0.8,343 7.599,344 2.54,345 3.8,346 5.504,347 2.543,348 3.112,349 0.657,350 7.44,351 3.522,352 5.099,353 3.118,354 2.162,355 2.811,356 0.4,357 6.144,358 2.051,359 3.327,360 4.814,361 2.933,362 2.026,363 2.569,365 5.397,366 1.798,367 3.139,368 2.755,369 1.818,370 2.302,372 4.918,373 1.665,374 2.949,375 2.053,376 4.427,377 2.008,378 4.441,379 1.585,380 2.678,381 1.554,382 3.706,383 2.188,384 1.213,385 1.75,386 2.773,387 1.156,388 2.654,389 1.495,390 3.504,391 2.133,392 1.181,393 1.669,394 2.676,395 1.116,396 2.5,397 1.291,398 3.488,399 2.03,400 1.122,401 1.5,402 2.617,403 1.004,404 2.257,405 1.256,406 3.414,407 2,408 1,409 1.242,410 2.275,411 1,412 2,413 1,414 3.247,415 1.952,416 1,417 1,418 2.136,419 0.946,420 1.851,421 0.815,422 3.197,423 1.554,424 0.62,425 0.736,426 1.486,427 0.577,428 1.43,429 0.43,430 2.971,431 0.153,432 0.186,433 0.404,434 0.143,435 14.781,436 0.477,437 0.677,438 0.022,439 42,440 1.355,441 21,442 0.677,443 21,444 0.677,445 23.961,446 0.773,447 0.615,448 32.333,449 1.043,450 8.51,451 0.275,452 6.571,453 0.212,454 0.098,456 0.298,458 0.868,459 1.381,460 0.654,461 0.996,462 0.727,463 0.889,464 0.979,465 1.052,466 0.779,467 0.912,468 0.571,469 0.92,470 1.118,471 1.214,472 1.016,473 1.035,474 0.931,475 1.036,476 0.647,477 1.028,478 0.896,479 1.05,480 0.696,481 1.093,482 7.444}
{0 CHEMBL471560,1 0.95,2 109.247,3 36.933,4 1.151,5 2.555,6 38.919,7 0.892,9 500.93,10 2,11 8,12 8,13 7.999,14 95.974,15 53.218,16 0.836,18 4.227,19 1.008,20 55.379,21 1.756,22 1.756,23 0.316,24 59.63,25 6,26 11,27 1.766,28 734.718,29 1.525,30 1.885,31 2.317,32 32.201,33 8.326,34 1.085,35 4.959,36 5.205,37 1.831,38 1.832,39 0.744,40 4.202,41 6.291,42 20.304,43 13.287,44 6.328,45 7.333,46 5.3,47 6.253,48 4.742,49 2.906,50 1.153,51 15.081,52 0.12,53 0.192,54 0.09,55 13.015,56 14.029,57 5.057,58 2.891,59 4.156,60 4.992,61 2.773,62 10.5,63 4.769,64 2340,65 3.486,66 2.387,67 1.553,68 37.976,69 1.759,70 35530.3,71 185.037,72 41.46,73 31.955,74 3.965,75 2.069,76 18.101,77 124.332,78 36.976,79 1.09,80 2.058,81 -0.101,82 1.513,83 2.679,84 61335,85 0.027,86 1.792,87 3.848,88 14.808,89 8.29,90 0.486,91 4.167,92 4.29,93 3.801,94 3.638,95 5.362,96 3.663,97 4.713,98 4.877,99 4.22,100 4.01,101 4.021,102 4.915,103 5.113,104 4.146,105 6.103,106 4.122,107 5.22,108 4.125,109 4.079,110 4.07,111 4.072,112 6.093,113 4.021,114 4.896,115 5.142,116 3.981,117 3.971,118 6.122,119 3.928,120 4.705,121 4.923,122 3.959,123 3.896,124 5.901,125 3.876,126 4.701,127 4.905,128 4.043,129 3.887,130 6.061,131 3.885,132 0.217,133 9.741,134 4.769,135 30.861,136 5.618,137 1.981,138 21.215,139 8.084,140 157.148,141 9.635,142 0.729,143 26.997,144 9.713,145 12.72,146 1.969,147 31.898,148 10.86,149 14.009,150 1.82,151 10.383,152 14.183,153 1.178,154 1.636,155 31.945,156 9.046,157 132.687,158 12.017,159 0.68,160 1.438,161 23.561,162 7.766,163 69.925,164 10.183,165 0.722,166 22.184,167 7.088,168 71.772,169 9.623,170 30,171 52,172 0.292,173 0.641,174 0.772,175 0.829,176 0.846,177 0.846,178 3.56,179 0.856,180 -4.26,181 -4.2,182 -3.97,184 40.4,189 5,191 1,192 8,193 3,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 5,214 1,215 4,216 5,217 1,218 1,219 2,222 4,223 5,225 2,226 5,227 2,228 4,229 2,230 3,231 1,232 1,235 8,237 1,239 1,240 2,242 6,244 1,245 1,246 4,247 1,248 4,249 1,250 2,251 5,254 6,255 3,257 2,259 6,261 1,263 6,265 2,267 4,270 5,272 1,274 4,276 6,277 3,278 22.557,279 22.557,280 22.557,281 22.557,282 22.557,283 23.29,284 18.29,285 18.29,286 18.29,287 18.29,288 18.29,289 14.819,290 19.554,291 4.041,292 1.904,293 1.101,294 0.75,295 0.645,296 0.645,297 4.254,300 1,301 1021,302 4,305 2.268,308 1,309 0.83,310 1,311 0.8,312 0.5,313 1,314 1,315 0.88,316 77.5,317 477,318 4.453,319 4.46,320 7.116,321 4.181,322 3.319,323 4.013,324 3.825,325 11.689,326 2.928,327 4.367,328 3.54,329 6.425,330 3.976,331 3.009,332 3.863,333 0.98,334 9.852,335 2.894,336 4.144,337 3.127,338 6.143,339 3.819,340 2.87,341 3.694,342 0.86,343 9.057,344 2.726,345 3.801,346 5.562,347 2.545,348 3.114,349 0.8,350 7.598,351 3.783,352 5.39,353 3.441,354 2.474,355 3.083,356 0.657,357 7.116,358 2.351,359 3.521,360 5.096,361 3.114,362 2.16,363 2.811,364 0.4,365 6.141,366 2.048,367 3.178,368 2.812,369 1.869,370 2.335,372 5.056,373 1.749,374 2.954,375 2.079,376 4.499,377 2.055,378 4.467,379 1.615,380 2.917,381 1.915,382 4.427,383 2.504,384 1.556,385 2.006,386 4.391,387 1.447,388 2.66,389 1.536,390 3.706,391 2.139,392 1.189,393 1.67,394 2.771,395 1.121,396 2.571,397 1.481,398 3.504,399 2.094,400 1.125,401 1.602,402 2.675,403 1.079,404 2.5,405 1.256,406 3.499,407 2.03,408 1.115,409 1.5,410 2.558,411 1.004,412 2.257,413 1.2,414 3.414,415 2,416 1,417 1.242,418 2.275,419 1,420 2,421 1,422 3.247,423 1.952,424 1,425 1,426 2.136,427 0.946,428 1.85,429 0.812,430 3.203,431 0.617,432 0.735,433 1.481,434 0.576,435 15.424,436 0.454,437 0.966,438 0.028,439 44,440 1.294,441 21,442 0.618,443 23,444 0.676,445 27.4,446 0.806,447 0.666,448 38.567,449 1.134,450 9.116,451 0.268,452 7.176,453 0.211,454 0.103,455 0.032,456 0.285,457 3,458 0.689,459 1.131,460 0.684,461 1.097,462 0.624,463 0.929,464 0.617,465 0.791,466 0.789,467 0.951,468 0.386,469 0.94,470 0.755,471 1.026,472 0.912,473 1.098,474 0.574,475 1.071,476 0.819,477 0.981,478 1.021,479 1.08,480 0.838,481 1.114,482 6.886}
{0 CHEMBL471743,1 0.975,2 62.333,3 36.791,4 1.134,5 2.444,7 0.852,9 467.274,10 3,11 6,12 6,13 5.02,14 51.489,15 28.898,16 0.506,18 4.227,19 0.556,20 38.685,21 1.734,22 1.734,23 0.281,24 59.965,25 6,26 9,27 4.666,28 506.12,29 1.285,30 1.606,31 2.308,32 33.64,33 8.006,34 0.889,35 4.975,36 5.234,37 1.831,38 1.832,39 1.009,40 4.1,41 5.81,42 19.664,43 13.148,44 6.19,45 7.167,47 6.033,48 4.396,49 2.87,50 1.154,51 15.619,52 0.125,53 0.184,54 0.086,55 11.784,56 13.781,57 4.969,58 2.889,59 4.041,60 4.947,61 2.635,62 10.3,63 4.746,64 1922,65 3.485,66 2.387,67 1.292,68 34.9,69 1.744,70 29610.7,71 170.879,72 38.691,73 30.448,74 3.914,75 2.068,76 17.875,77 124.821,78 36.541,79 0.439,80 2.057,81 -0.089,82 1.499,83 2.663,84 41903,85 0.005,86 1.608,87 2.889,88 8.349,89 7.492,90 0.514,91 4.169,92 4.295,93 3.735,94 3.64,95 5.297,96 3.644,97 4.689,98 4.864,99 4.057,100 4.003,101 3.985,102 4.896,103 5.096,104 4.142,105 5.932,106 4.092,107 5.175,108 4.143,109 4.054,110 3.947,111 4.111,112 5.922,113 4.011,114 4.862,115 5.108,116 3.895,117 4.009,118 5.87,119 3.927,120 4.753,121 4.995,122 3.9,123 3.92,124 5.81,125 3.866,126 4.694,127 4.907,128 3.916,129 3.887,130 5.847,131 3.854,132 0.077,133 11.967,134 4.725,135 10.931,136 6.361,137 1.352,138 22.868,139 7.806,140 39.784,141 10.545,142 0.444,143 28.892,144 9.357,145 13.389,146 1.658,147 30.982,148 10.461,149 15.282,150 1.605,151 10.634,152 15.957,153 0.479,154 1.451,155 29.695,156 9.177,157 51.218,158 13.643,159 0.442,160 1.328,161 26.47,162 8.001,163 40.973,164 11.908,165 0.338,166 23.889,167 7.198,168 40.433,169 10.613,170 14,171 47,172 0.261,173 0.626,174 0.782,175 0.838,176 0.85,177 0.85,178 3.502,179 0.888,180 -3.21,181 -3.2,182 -3.07,184 39.7,188 1,189 5,192 8,193 2,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 7,214 1,215 4,216 5,217 1,218 1,219 4,222 4,223 4,225 2,226 6,227 2,228 4,229 2,230 2,231 1,232 1,235 8,237 2,239 1,240 2,242 5,244 1,245 1,246 4,247 1,248 3,249 1,250 3,251 6,254 6,255 3,257 2,259 4,261 1,263 4,265 2,267 3,269 2,270 5,271 1,272 3,274 4,276 6,277 3,278 21.955,279 21.955,280 21.955,281 21.955,282 21.955,283 22.616,284 17.243,285 17.243,286 17.243,287 17.243,288 17.243,289 13.703,290 18.21,291 4.25,292 2.011,293 1.047,294 0.703,295 0.634,296 0.634,297 4.201,300 1,301 951,302 3.317,305 2.17,308 1,309 0.83,310 1,311 0.8,312 0.5,313 1,314 1,315 0.88,316 70,317 441,318 4.369,319 3.54,320 6.425,321 3.978,322 3.01,323 4.013,324 0.98,325 9.852,326 2.921,327 4.144,328 3.127,329 6.143,330 3.819,331 2.87,332 3.695,333 0.86,334 9.057,335 2.726,336 4.064,337 2.971,338 5.588,339 3.657,340 2.683,341 3.667,342 0.86,343 7.688,344 2.616,345 3.8,346 5.561,347 2.543,348 3.112,349 0.8,350 7.598,351 3.523,352 5.103,353 3.123,354 2.166,355 2.811,356 0.657,357 6.15,358 2.06,359 3.38,360 4.97,361 3.041,362 2.098,363 2.624,364 0.4,365 5.865,366 1.969,367 3.147,368 2.777,369 1.83,370 2.308,372 4.971,373 1.722,374 2.949,375 2.054,376 4.427,377 2.008,378 4.441,379 1.603,380 2.692,381 1.561,382 3.706,383 2.225,384 1.24,385 1.771,386 2.776,387 1.218,388 2.656,389 1.499,390 3.506,391 2.134,392 1.184,393 1.669,394 2.68,395 1.118,396 2.5,397 1.34,398 3.504,399 2.03,400 1.122,401 1.5,402 2.654,403 1.004,404 2.257,405 1.256,406 3.414,407 2,408 1,409 1.242,410 2.275,411 1,412 2,413 1,414 3.247,415 1.952,416 1,417 1,418 2.136,419 0.946,420 1.852,421 0.938,422 3.204,423 1.558,424 0.624,425 0.74,426 1.492,427 0.581,428 1.583,429 0.808,430 2.971,431 0.426,432 0.479,433 0.621,434 0.365,435 14.9,436 0.466,437 0.639,438 0.02,439 43.25,440 1.352,441 21.5,442 0.672,443 21.75,444 0.68,445 24.433,446 0.764,447 0.602,448 34.325,449 1.073,450 8.921,451 0.279,452 6.697,453 0.209,454 0.083,456 0.295,458 0.924,459 1.437,460 0.796,461 1.149,462 0.764,463 0.969,464 1.152,465 1.012,466 0.935,467 0.929,468 0.65,469 0.904,470 1.122,471 1.236,472 1.044,473 1.061,474 0.94,475 1.041,476 0.642,477 1.079,478 1.023,479 1.152,480 0.704,481 1.155,482 7.602}
{0 CHEMBL486643,1 1.028,2 58.844,3 33.537,4 1.129,5 2.584,7 0.782,9 463.703,10 3,11 6,12 8,13 5.018,14 46.118,15 26.148,16 0.353,18 4.227,19 0.509,20 34.145,21 1.57,22 1.57,23 0.282,24 53.374,25 6,26 9,27 5.312,28 477.245,29 1.42,30 1.678,31 2.324,32 35.739,33 7.879,34 0.909,35 4.989,36 5.245,37 1.83,38 1.831,39 0.861,40 4.183,41 5.773,42 19.689,43 13.185,44 6.167,45 7.194,47 6.026,48 4.171,49 2.907,50 1.164,51 16.193,52 0.125,53 0.184,54 0.086,55 11.801,56 13.313,57 4.97,58 2.893,59 4.122,60 4.945,61 2.805,62 10.3,63 4.429,64 1890,65 3.485,66 2.387,67 1.261,68 34.4,69 1.744,70 29205.8,71 170.448,72 37.629,73 30.363,74 3.88,75 2.066,76 18.692,77 131.265,78 37.013,79 0.359,80 2.056,81 -0.093,82 1.506,83 2.505,84 41199,85 0.035,86 1.655,87 3.448,88 11.886,89 7.769,90 0.514,91 4.161,92 4.287,93 3.797,94 3.701,95 5.267,96 3.669,97 4.678,98 4.852,99 4.108,100 4.069,101 4.009,102 4.888,103 5.089,104 4.204,105 5.903,106 4.123,107 5.162,108 4.211,109 4.094,110 3.983,111 4.168,112 5.919,113 4.043,114 4.914,115 5.178,116 3.975,117 4.059,118 5.885,119 3.956,120 4.724,121 4.952,122 4.016,123 3.995,124 5.771,125 3.916,126 4.704,127 4.901,128 4.099,129 3.982,130 5.883,131 3.921,132 0.052,133 12.142,134 5.098,135 10.057,136 6.52,137 1.418,138 25.265,139 8.948,140 35.228,141 11.214,142 0.358,143 30.281,144 10.494,145 13.891,146 1.772,147 34.675,148 11.768,149 15.837,150 1.724,151 11.955,152 16.801,153 0.476,154 1.567,155 33.504,156 10.351,157 53.373,158 14.829,159 0.318,160 1.387,161 26.423,162 8.875,163 32.432,164 11.937,165 0.318,166 27.297,167 7.933,168 38.326,169 10.888,170 14,171 47,172 0.269,173 0.626,174 0.777,175 0.833,176 0.85,177 0.85,178 3.502,179 0.993,180 -3.94,181 -3.9,182 -3.7,184 39.7,188 1,189 5,192 8,193 2,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 5,214 1,215 4,216 5,217 1,218 1,219 2,222 3,223 6,225 2,226 5,227 2,228 4,229 2,230 4,231 1,232 2,235 7,237 1,239 1,240 1,242 7,244 1,245 1,246 4,247 1,248 5,249 1,250 2,251 3,254 4,255 3,257 1,259 8,261 1,263 8,265 2,267 5,270 5,272 1,274 4,276 4,277 3,278 22.007,279 22.007,280 22.007,281 22.007,282 22.007,283 22.767,284 17.231,285 17.231,286 17.231,287 17.231,288 17.231,289 13.681,290 18.297,291 4.203,292 2.011,293 1.082,294 0.737,295 0.634,296 0.634,297 4.201,301 918,302 3.317,305 2.125,308 1,309 0.83,310 1,311 0.8,312 0.5,313 1,314 1,315 0.88,316 69,317 426,318 4.371,319 4.36,320 6.426,321 3.981,322 3.013,323 4.013,324 2.95,325 9.856,326 2.923,327 4.188,328 3.54,329 6.143,330 3.819,331 2.871,332 3.797,333 0.98,334 9.057,335 2.727,336 4.143,337 3.127,338 6.128,339 3.783,340 2.826,341 3.694,342 0.86,343 8.974,344 2.701,345 3.8,346 5.562,347 2.543,348 3.112,349 0.8,350 7.598,351 3.522,352 5.1,353 3.117,354 2.161,355 2.811,356 0.657,357 6.144,358 2.052,359 3.191,360 4.783,361 2.839,362 1.899,363 2.35,364 0.4,365 5.105,366 1.775,367 2.955,368 2.688,369 1.764,370 2.093,372 4.453,373 1.625,374 2.917,375 2.154,376 4.378,377 2.041,378 4.169,379 1.471,380 2.899,381 2.015,382 3.706,383 2.44,384 1.458,385 2.004,386 3.052,387 1.402,388 2.66,389 1.603,390 3.627,391 2.136,392 1.187,393 1.669,394 2.766,395 1.119,396 2.5,397 1.516,398 3.504,399 2.03,400 1.123,401 1.5,402 2.674,403 1.004,404 2.257,405 1.438,406 3.414,407 2,408 1,409 1.242,410 2.275,411 1,412 2,413 1.256,414 3.247,415 1.952,416 1,417 1,418 2.136,419 0.946,420 1.941,421 1,422 3.19,423 1.619,424 0.687,425 0.836,426 1.552,427 0.635,428 1.604,429 0.841,430 2.971,431 0.435,432 0.491,433 0.696,434 0.351,435 15.4,436 0.481,437 0.623,438 0.019,439 42.75,440 1.336,441 21.5,442 0.672,443 21.25,444 0.664,445 26.263,446 0.821,447 0.593,448 32.822,449 1.026,450 8.382,451 0.262,452 7.253,453 0.227,454 0.08,456 0.286,458 0.917,459 1.317,460 0.773,461 0.985,462 0.761,463 0.922,464 1.042,465 1.023,466 1.066,467 1.023,468 0.589,469 0.938,470 1.133,471 1.164,472 0.965,473 0.963,474 0.92,475 0.992,476 0.633,477 1.127,478 1.148,479 1.228,480 0.695,481 1.194,482 7.638}
{0 CHEMBL487450,1 0.825,2 105.949,3 35.733,4 1.145,5 2.592,6 26.856,7 0.809,8 2,9 466.608,10 4,11 4,12 5,13 8.191,14 96.691,15 45.119,16 0.859,17 2,18 34.147,19 0.875,20 74.38,21 1.816,22 1.816,23 0.281,24 57.967,25 6,26 10,27 1.275,28 638.607,29 1.454,30 1.788,31 2.427,32 31.031,33 7.937,34 0.976,35 4.894,36 5.145,37 1.831,38 1.831,39 0.807,40 4.125,41 5.889,42 19.164,43 12.822,44 6.141,45 7,46 3.7,47 6.199,48 4.582,49 2.885,50 1.153,51 14.687,52 0.125,53 0.184,54 0.086,55 11.871,56 13.344,57 4.97,58 2.899,59 4.096,60 4.893,61 2.646,62 11.1,63 4.728,64 1900,65 3.486,66 2.387,67 1.092,68 35.162,69 1.744,70 29380.2,71 170.645,72 37.961,73 30.396,74 3.892,75 2.068,76 17.146,77 118.791,78 35.066,79 0.5,80 2.056,81 -0.066,82 1.514,83 2.762,84 49443,85 0.026,86 1.76,87 3.317,88 11.001,89 8.157,90 0.514,91 4.113,92 4.237,93 3.739,94 3.592,95 5.32,96 3.613,97 4.631,98 4.797,99 4.093,100 3.959,101 3.964,102 4.878,103 5.08,104 4.081,105 6.047,106 4.058,107 5.12,108 4.051,109 3.996,110 3.944,111 4.009,112 6.015,113 3.94,114 4.772,115 5.012,116 3.894,117 3.919,118 5.883,119 3.868,120 4.646,121 4.861,122 3.947,123 3.843,124 5.896,125 3.825,126 4.64,127 4.844,128 3.97,129 3.806,130 5.952,131 3.815,132 0.166,133 9.532,134 4.411,135 18.258,136 5.344,137 1.498,138 18.974,139 7.415,140 42.307,141 9.103,142 0.74,143 27.312,144 9.137,145 11.624,146 1.831,147 28.47,148 9.71,149 13.343,150 1.626,151 9.545,152 13.246,153 0.687,154 1.413,155 26.729,156 8.283,157 75.712,158 11.465,159 0.594,160 1.379,161 22.023,162 7.202,163 55.571,164 9.833,165 0.513,166 21.203,167 6.813,168 52.757,169 8.84,170 18,171 48,172 0.29,173 0.653,174 0.773,175 0.814,176 0.827,177 0.827,178 3.502,179 0.86,180 -3.94,181 -3.9,182 -3.7,184 40.7,189 5,192 7,193 2,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 5,214 1,215 4,216 5,217 1,218 1,219 2,222 4,223 3,225 2,226 5,227 2,228 4,229 2,230 1,231 1,232 1,235 8,237 1,239 1,240 2,242 4,244 1,245 1,246 4,247 1,248 2,249 1,250 2,251 5,254 6,255 3,257 2,259 2,261 1,263 2,265 2,267 2,270 5,272 1,274 4,276 6,277 3,278 21.532,279 21.532,280 21.532,281 21.532,282 21.532,283 22.139,284 17.315,285 17.315,286 17.315,287 17.315,288 17.315,289 13.697,290 18.33,291 3.995,292 1.794,293 1.068,294 0.815,295 0.741,296 0.741,297 4.199,300 1,301 920,302 3.24,305 2.156,308 1,309 1,310 1,311 0.8,312 0.5,313 1,314 1,315 0.9,316 72,317 427,318 4.37,319 3.54,320 6.425,321 3.978,322 3.011,323 4.013,324 0.98,325 9.852,326 2.921,327 4.159,328 3.152,329 6.143,330 3.819,331 2.87,332 3.808,333 0.86,334 9.057,335 2.726,336 4.143,337 3.127,338 5.663,339 3.729,340 2.763,341 3.694,342 0.8,343 7.92,344 2.662,345 3.8,346 5.562,347 2.543,348 3.112,349 0.657,350 7.598,351 3.523,352 5.102,353 3.122,354 2.165,355 2.811,356 0.4,357 6.147,358 2.059,359 3.352,360 4.893,361 3.009,362 2.061,363 2.593,365 5.673,366 1.937,367 3.232,368 2.787,369 1.879,370 2.481,372 4.963,373 1.709,374 3.134,375 2.304,376 4.618,377 2.296,378 4.942,379 1.678,380 2.949,381 2.048,382 4.427,383 2.655,384 1.722,385 2.007,386 4.441,387 1.598,388 2.661,389 1.541,390 3.705,391 2.139,392 1.189,393 1.67,394 2.77,395 1.122,396 2.5,397 1.485,398 3.504,399 2.03,400 1.123,401 1.5,402 2.674,403 1.004,404 2.257,405 1.256,406 3.414,407 2,408 1,409 1.242,410 2.275,411 1,412 2,413 1,414 3.247,415 1.952,416 1,417 1,418 2.136,419 0.946,420 1.853,421 0.857,422 3.233,423 1.561,424 0.629,425 0.742,426 1.523,427 0.584,428 1.43,429 0.432,430 2.971,431 0.153,432 0.186,433 0.404,434 0.143,435 14.638,436 0.457,437 0.784,438 0.024,439 42.75,440 1.336,441 21,442 0.656,443 21.75,444 0.68,445 24.523,446 0.766,447 0.651,448 35.087,449 1.096,450 8.844,451 0.276,452 6.63,453 0.207,454 0.089,456 0.335,458 0.727,459 1.175,460 0.703,461 1.08,462 0.596,463 0.916,464 0.831,465 1,466 0.839,467 1.003,468 0.542,469 0.944,470 1.084,471 1.139,472 1.063,473 1.048,474 0.963,475 1.046,476 0.543,477 0.91,478 0.905,479 1.098,480 0.531,481 1.111,482 8.26}
{0 CHEMBL487451,1 0.789,2 202.06,3 34.659,4 1.151,5 2.592,6 41.013,7 0.817,8 3,9 481.221,10 5,11 2,12 5,13 8.191,14 103.643,15 56.344,16 0.883,17 3,18 49.107,19 1.508,20 101.848,21 1.858,22 1.858,23 0.275,24 54.381,25 6,26 11,27 -1.749,28 732.718,29 1.595,30 1.973,31 2.591,32 30.408,33 8.004,34 1.047,35 4.889,36 5.141,37 1.831,38 1.831,39 0.734,40 4.217,41 5.946,42 19.636,43 13.003,44 6.169,45 7.222,46 5.6,47 6.511,48 4.742,49 2.883,50 1.153,51 14.687,52 0.122,53 0.179,54 0.084,55 12.337,56 13.818,57 5.015,58 2.909,59 4.213,60 4.931,61 2.737,62 11.1,63 4.879,64 2083,65 3.486,66 2.387,67 1.113,68 36.676,69 1.752,70 31883.1,71 177.327,72 38.321,73 31.092,74 3.908,75 2.068,76 17.446,77 119.007,78 35.449,79 0.609,80 2.056,81 -0.059,82 1.531,83 2.787,84 56632,85 0.12,86 1.818,87 3.522,88 12.407,89 8.491,90 0.5,91 4.121,92 4.242,93 3.774,94 3.59,95 5.368,96 3.623,97 4.641,98 4.803,99 4.142,100 3.956,101 3.978,102 4.893,103 5.089,104 4.077,105 6.139,106 4.085,107 5.144,108 4.048,109 4.02,110 3.958,111 4.008,112 5.97,113 3.947,114 4.787,115 5.021,116 3.995,117 3.916,118 6.033,119 3.886,120 4.663,121 4.871,122 4.023,123 3.838,124 5.945,125 3.856,126 4.678,127 4.867,128 4.127,129 3.805,130 6.387,131 3.834,132 0.235,133 8.729,134 4.439,135 25.785,136 5.068,137 1.61,138 18.031,139 7.462,140 52.366,141 8.676,142 0.926,143 26.641,144 9.21,145 10.961,146 2.224,147 29.185,148 9.83,149 12.413,150 1.592,151 9.548,152 13.2,153 0.939,154 1.526,155 26.758,156 8.273,157 100.634,158 11.295,159 0.687,160 1.541,161 21.744,162 7.312,163 71.831,164 9.027,165 1.123,166 21.483,167 6.771,168 150.079,169 8.791,170 27,171 50,172 0.3,173 0.662,174 0.777,175 0.814,176 0.827,177 0.827,178 3.531,179 0.845,180 -4.05,181 -4,182 -3.79,184 40.7,189 5,192 6,193 2,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 5,214 1,215 4,216 5,217 1,218 1,219 2,222 2,223 2,225 2,226 5,227 2,228 4,229 2,230 3,231 1,232 1,235 6,237 1,242 6,244 1,245 1,246 4,247 1,248 4,249 1,250 2,254 2,255 2,259 6,261 1,263 6,265 2,267 4,270 3,272 1,274 2,276 2,277 2,278 22.085,279 22.085,280 22.085,281 22.085,282 22.085,283 22.731,284 17.76,285 17.76,286 17.76,287 17.76,288 17.76,289 14.058,290 18.864,291 3.937,292 1.739,293 1.042,294 0.815,295 0.741,296 0.741,297 4.226,300 1,301 980,302 3.317,305 2.138,308 1,309 0.83,310 1,311 0.8,312 0.5,313 1,314 1,315 0.88,316 75.5,317 456,318 4.398,319 3.542,320 6.443,321 4.003,322 3.041,323 4.075,324 0.98,325 9.893,326 2.93,327 4.349,328 3.426,329 6.398,330 3.936,331 2.973,332 4.005,333 0.86,334 9.721,335 2.849,336 4.144,337 3.127,338 6.143,339 3.818,340 2.869,341 3.694,342 0.8,343 9.057,344 2.726,345 3.8,346 5.562,347 2.544,348 3.112,349 0.657,350 7.598,351 3.524,352 5.101,353 3.123,354 2.168,355 2.812,356 0.4,357 6.147,358 2.058,359 3.474,360 5.016,361 3.066,362 2.133,363 2.791,365 5.946,366 1.971,367 3.232,368 2.8,369 1.879,370 2.481,372 5.225,373 1.738,374 3.168,375 2.322,376 4.77,377 2.324,378 5.036,379 1.678,380 2.95,381 2.088,382 4.427,383 2.672,384 1.749,385 2.008,386 4.444,387 1.609,388 2.664,389 1.767,390 3.72,391 2.151,392 1.196,393 1.672,394 2.785,395 1.133,396 2.5,397 1.516,398 3.543,399 2.03,400 1.126,401 1.5,402 2.677,403 1.004,404 2.257,405 1.391,406 3.504,407 2,408 1,409 1.242,410 2.32,411 1,412 2.114,413 1.256,414 3.414,415 1.952,416 1,417 1.069,418 2.275,419 0.946,420 2,421 1,422 3.247,423 1.858,424 0.953,425 1,426 2.136,427 0.851,428 1.465,429 0.6,430 2.971,431 0.177,432 0.215,433 0.455,434 0.164,435 14.924,436 0.452,437 0.856,438 0.026,439 43.5,440 1.318,441 21,442 0.636,443 22.5,444 0.682,445 26.122,446 0.792,447 0.679,448 37.235,449 1.128,450 9.079,451 0.275,452 6.823,453 0.207,454 0.107,456 0.362,458 0.695,459 1.12,460 0.667,461 1.079,462 0.578,463 0.907,464 0.798,465 0.987,466 0.796,467 1.004,468 0.559,469 0.93,470 1.068,471 1.175,472 1.002,473 1.055,474 0.965,475 1.012,476 0.64,477 0.846,478 0.987,479 1.089,480 0.678,481 1.158,482 9.155}
{0 CHEMBL487460,1 0.986,2 66.161,3 34.635,4 1.134,5 2.349,7 0.883,9 450.446,10 3,11 6,12 6,13 6.471,14 60.377,15 31.915,16 0.513,18 4.227,19 0.583,20 46.708,21 1.727,22 1.727,23 0.29,24 56.477,25 6,26 9,27 3.798,28 490.534,29 1.223,30 1.561,31 2.281,32 30.794,33 7.795,34 0.854,35 4.895,36 5.148,37 1.831,38 1.831,39 0.918,40 4.065,41 5.795,42 18.741,43 12.646,44 6.044,45 6.833,47 6.017,48 4.577,49 2.837,50 1.153,51 15.081,52 0.129,53 0.189,54 0.089,55 11.424,56 13.226,57 4.923,58 2.866,59 3.996,60 4.905,61 2.596,62 10.9,63 4.693,64 1760,65 3.485,66 2.387,67 1.092,68 33.6,69 1.735,70 26742.8,71 163.705,72 36.785,73 29.645,74 3.87,75 2.067,76 16.914,77 120.052,78 35.014,79 0.381,80 2.056,81 -0.127,82 1.506,83 2.659,84 39910,85 -0.048,86 1.628,87 2.638,88 6.961,89 7.646,90 0.529,91 4.123,92 4.248,93 3.7,94 3.602,95 5.283,96 3.609,97 4.628,98 4.796,99 4.035,100 3.973,101 3.957,102 4.873,103 5.077,104 4.103,105 5.946,106 4.054,107 5.138,108 4.077,109 3.993,110 3.898,111 4.032,112 5.901,113 3.942,114 4.793,115 5.041,116 3.857,117 3.937,118 5.835,119 3.868,120 4.65,121 4.87,122 3.873,123 3.861,124 5.787,125 3.82,126 4.641,127 4.85,128 3.87,129 3.833,130 5.849,131 3.804,132 0.108,133 11.069,134 4.408,135 14.896,136 5.807,137 1.311,138 20.419,139 7.38,140 37.326,141 9.878,142 0.474,143 28.009,144 9.065,145 12.834,146 1.575,147 29.77,148 9.847,149 14.391,150 1.494,151 9.612,152 14.298,153 0.512,154 1.354,155 27.862,156 8.381,157 56.504,158 12.373,159 0.4,160 1.233,161 22.882,162 7.287,163 40.681,164 10.475,165 0.358,166 22.232,167 6.7,168 42.472,169 9.694,170 11,171 46,172 0.268,173 0.646,174 0.782,175 0.842,176 0.854,177 0.854,178 3.471,179 0.879,180 -2.99,181 -2.99,182 -2.89,184 40,189 5,192 8,193 2,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 5,214 1,215 4,216 7,217 1,218 1,219 2,222 6,223 4,225 2,226 5,227 2,228 4,229 2,230 3,231 1,232 1,235 8,237 1,238 1,239 1,240 2,242 5,244 1,245 1,246 4,247 1,248 3,249 1,250 2,251 5,252 1,254 7,255 3,257 2,259 4,261 1,263 4,265 2,267 3,270 5,272 3,273 2,274 4,275 1,276 6,277 3,278 21.085,279 21.085,280 21.085,281 21.085,282 21.085,283 21.607,284 16.815,285 16.815,286 16.815,287 16.815,288 16.815,289 13.281,290 17.673,291 4.153,292 1.85,293 1.018,294 0.655,295 0.582,296 0.582,297 4.17,300 1,301 887,302 3.162,305 2.104,308 1,309 0.83,310 1,311 0.8,313 1,314 1,315 0.8,316 68,317 410,318 4.369,319 3.54,320 6.425,321 3.978,322 3.01,323 4.012,324 0.98,325 9.852,326 2.921,327 4.144,328 3.127,329 6.143,330 3.819,331 2.87,332 3.695,333 0.86,334 9.057,335 2.726,336 4.039,337 2.928,338 5.562,339 3.63,340 2.647,341 3.645,342 0.8,343 7.599,344 2.6,345 3.8,346 5.504,347 2.543,348 3.112,349 0.657,350 7.44,351 3.522,352 5.099,353 3.119,354 2.162,355 2.811,356 0.4,357 6.144,358 2.056,359 3.327,360 4.814,361 2.978,362 2.026,363 2.569,365 5.397,366 1.92,367 3.139,368 2.766,369 1.818,370 2.302,372 4.918,373 1.714,374 2.949,375 2.047,376 4.427,377 2.008,378 4.441,379 1.601,380 2.678,381 1.547,382 3.706,383 2.201,384 1.213,385 1.75,386 2.773,387 1.196,388 2.654,389 1.491,390 3.504,391 2.133,392 1.181,393 1.669,394 2.676,395 1.117,396 2.5,397 1.261,398 3.488,399 2.03,400 1.122,401 1.5,402 2.617,403 1.004,404 2.257,405 1.256,406 3.414,407 2,408 1,409 1.242,410 2.275,411 1,412 2,413 1,414 3.247,415 1.952,416 1,417 1,418 2.136,419 0.946,420 1.851,421 0.814,422 3.197,423 1.555,424 0.62,425 0.736,426 1.486,427 0.577,428 1.43,429 0.429,430 2.971,431 0.153,432 0.186,433 0.404,434 0.143,435 14.4,436 0.465,437 0.677,438 0.022,439 42.5,440 1.371,441 21.5,442 0.694,443 21,444 0.677,445 22.895,446 0.739,447 0.611,448 33.4,449 1.077,450 8.677,451 0.28,452 6.403,453 0.207,454 0.074,456 0.306,458 0.963,459 1.375,460 0.799,461 1.065,462 0.839,463 0.917,464 0.954,465 1.078,466 0.913,467 1.012,468 0.562,469 0.965,470 1.105,471 1.235,472 1.055,473 1.072,474 0.934,475 1.056,476 0.639,477 1.036,478 0.992,479 1.106,480 0.681,481 1.112,482 7.721}
{0 CHEMBL487634,1 0.928,2 68.18,3 33.809,4 1.136,5 2.32,7 0.928,9 448.615,10 3,11 6,12 6,13 5.109,14 53.079,15 29.055,16 0.433,18 4.227,19 0.568,20 39.482,21 1.495,22 1.495,23 0.29,24 54.828,25 7,26 9,27 4.436,28 467.697,29 1.299,30 1.611,31 2.083,32 33.15,33 7.728,34 0.889,35 4.95,36 5.224,37 1.831,38 1.832,39 0.925,40 4.078,41 5.775,42 18.766,43 12.665,44 6.019,45 6.861,47 6.043,48 4.522,49 2.862,50 1.153,51 15.097,52 0.129,53 0.189,54 0.089,55 11.415,56 13.194,57 4.924,58 2.875,59 4.004,60 4.933,61 2.586,62 12.5,63 4.428,64 1743,65 3.485,66 2.387,67 1.096,68 33.533,69 1.735,70 26541.4,71 163.477,72 36.183,73 29.6,74 3.854,75 2.068,76 17.045,77 123.059,78 35.321,79 0.355,80 2.058,81 -0.139,82 1.512,83 2.482,84 37678,85 -0.047,86 1.596,87 2.159,88 4.662,89 7.492,90 0.529,91 4.135,92 4.273,93 3.698,94 3.615,95 5.277,96 3.616,97 4.642,98 4.819,99 4.03,100 3.99,101 3.964,102 4.883,103 5.094,104 4.126,105 5.928,106 4.071,107 5.17,108 4.112,109 4.019,110 3.893,111 4.063,112 5.888,113 3.96,114 4.805,115 5.057,116 3.879,117 3.956,118 5.842,119 3.882,120 4.669,121 4.893,122 3.89,123 3.889,124 5.773,125 3.848,126 4.677,127 4.888,128 3.908,129 3.878,130 5.948,131 3.834,132 0.084,133 11.616,134 4.322,135 13.472,136 6.016,137 1.348,138 21.279,139 7.44,140 35.436,141 10.332,142 0.395,143 28.509,144 9.006,145 13.299,146 1.643,147 30.667,148 9.914,149 14.84,150 1.556,151 9.975,152 15.451,153 0.457,154 1.376,155 28.209,156 8.562,157 52.493,158 12.866,159 0.339,160 1.283,161 23.466,162 7.082,163 33.647,164 10.515,165 0.381,166 23.098,167 7.08,168 57.867,169 10.535,170 11,171 46,172 0.261,173 0.617,174 0.753,175 0.823,176 0.851,177 0.851,178 3.471,179 0.886,180 -2.99,181 -2.99,182 -2.89,184 39.3,189 5,192 8,193 2,194 1,196 1,197 1,201 1,204 2,205 2,206 2,211 1,212 5,214 1,215 4,216 7,217 3,218 1,219 2,222 5,223 4,224 2,225 2,226 5,227 2,228 4,229 3,230 4,231 2,232 1,233 1,235 7,237 1,239 1,240 1,242 6,243 1,244 2,245 1,246 5,247 1,248 4,249 2,250 2,251 3,254 4,255 3,257 1,259 6,260 2,261 3,262 2,263 6,264 3,265 2,267 4,268 1,270 5,272 1,274 4,276 4,277 3,278 21.137,279 21.137,280 21.137,281 21.137,282 21.137,283 21.635,284 16.793,285 16.793,286 16.793,287 16.793,288 16.793,289 13.254,290 17.606,291 4.212,292 2.036,293 1.207,294 0.779,295 0.607,296 0.607,297 4.17,300 1,301 885,302 3.162,305 2.071,308 0.75,309 0.67,310 0.83,311 0.7,313 0.83,314 1,315 0.68,316 67.5,317 409,318 4.371,319 3.54,320 6.426,321 3.98,322 3.012,323 4.013,324 0.98,325 9.854,326 2.924,327 4.158,328 3.127,329 6.143,330 3.819,331 2.87,332 3.771,333 0.86,334 9.057,335 2.747,336 4.142,337 3.01,338 6.02,339 3.77,340 2.783,341 3.694,342 0.8,343 8.543,344 2.726,345 3.8,346 5.562,347 2.543,348 3.112,349 0.657,350 7.598,351 3.522,352 5.099,353 3.116,354 2.161,355 2.811,356 0.4,357 6.144,358 2.052,359 3.189,360 4.777,361 2.835,362 1.889,363 2.348,365 5.075,366 1.777,367 2.954,368 2.686,369 1.76,370 2.076,372 4.447,373 1.625,374 2.903,375 1.797,376 4.199,377 2.008,378 3.844,379 1.471,380 2.842,381 1.522,382 3.704,383 2.402,384 1.414,385 1.971,386 2.983,387 1.396,388 2.659,389 1.468,390 3.603,391 2.136,392 1.187,393 1.669,394 2.766,395 1.119,396 2.5,397 1.436,398 3.504,399 2.03,400 1.123,401 1.5,402 2.674,403 1.004,404 2.257,405 1.256,406 3.414,407 2,408 1,409 1.242,410 2.275,411 1,412 2,413 1,414 3.247,415 1.952,416 1,417 1,418 2.136,419 0.946,420 1.901,421 0.829,422 3.189,423 1.599,424 0.656,425 0.791,426 1.527,427 0.617,428 1.437,429 0.438,430 2.971,431 0.155,432 0.189,433 0.408,434 0.145,435 14.467,436 0.467,437 0.661,438 0.021,439 42.5,440 1.371,441 21.5,442 0.694,443 21,444 0.677,445 23.099,446 0.745,447 0.599,448 33.405,449 1.078,450 8.675,451 0.28,452 6.422,453 0.207,454 0.078,456 0.304,458 0.983,459 1.366,460 0.819,461 1.054,462 0.857,463 0.916,464 1.008,465 1.088,466 0.919,467 1.006,468 0.582,469 0.962,470 1.108,471 1.262,472 1.03,473 1.078,474 0.909,475 1.048,476 0.655,477 1.056,478 1.064,479 1.156,480 0.754,481 1.173,482 6.509}
{0 CHEMBL488307,1 0.789,2 202.06,3 34.659,4 1.151,5 2.592,6 41.013,7 0.817,8 3,9 481.221,10 5,11 2,12 5,13 8.191,14 103.643,15 56.344,16 0.883,17 3,18 49.107,19 1.508,20 101.848,21 1.858,22 1.858,23 0.275,24 54.381,25 6,26 11,27 -1.749,28 732.718,29 1.595,30 1.973,31 2.591,32 30.408,33 8.004,34 1.047,35 4.889,36 5.141,37 1.831,38 1.831,39 0.734,40 4.217,41 5.946,42 19.636,43 13.003,44 6.169,45 7.222,46 5.6,47 6.511,48 4.742,49 2.883,50 1.153,51 14.687,52 0.122,53 0.179,54 0.084,55 12.337,56 13.818,57 5.015,58 2.909,59 4.213,60 4.931,61 2.737,62 11.1,63 4.879,64 2083,65 3.486,66 2.387,67 1.113,68 36.676,69 1.752,70 31883.1,71 177.327,72 38.321,73 31.092,74 3.908,75 2.068,76 17.446,77 119.007,78 35.449,79 0.609,80 2.056,81 -0.059,82 1.531,83 2.787,84 56632,85 0.12,86 1.818,87 3.522,88 12.407,89 8.491,90 0.5,91 4.121,92 4.242,93 3.774,94 3.59,95 5.368,96 3.623,97 4.641,98 4.803,99 4.142,100 3.956,101 3.978,102 4.893,103 5.089,104 4.077,105 6.139,106 4.085,107 5.144,108 4.048,109 4.02,110 3.958,111 4.008,112 5.97,113 3.947,114 4.787,115 5.021,116 3.995,117 3.916,118 6.033,119 3.886,120 4.663,121 4.871,122 4.023,123 3.838,124 5.945,125 3.856,126 4.678,127 4.867,128 4.127,129 3.805,130 6.387,131 3.834,132 0.235,133 8.729,134 4.439,135 25.785,136 5.068,137 1.61,138 18.031,139 7.462,140 52.366,141 8.676,142 0.926,143 26.641,144 9.21,145 10.961,146 2.224,147 29.185,148 9.83,149 12.413,150 1.592,151 9.548,152 13.2,153 0.939,154 1.526,155 26.758,156 8.273,157 100.634,158 11.295,159 0.687,160 1.541,161 21.744,162 7.312,163 71.831,164 9.027,165 1.123,166 21.483,167 6.771,168 150.079,169 8.791,170 27,171 50,172 0.3,173 0.662,174 0.777,175 0.814,176 0.827,177 0.827,178 3.531,179 0.845,180 -4.05,181 -4,182 -3.79,184 40.7,189 5,192 6,193 2,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 5,214 1,215 4,216 5,217 1,218 1,219 2,222 2,223 2,225 2,226 5,227 2,228 4,229 2,230 3,231 1,232 1,235 6,237 1,242 6,244 1,245 1,246 4,247 1,248 4,249 1,250 2,254 2,255 2,259 6,261 1,263 6,265 2,267 4,270 3,272 1,274 2,276 2,277 2,278 22.085,279 22.085,280 22.085,281 22.085,282 22.085,283 22.731,284 17.76,285 17.76,286 17.76,287 17.76,288 17.76,289 14.058,290 18.864,291 3.937,292 1.739,293 1.042,294 0.815,295 0.741,296 0.741,297 4.226,300 1,301 980,302 3.317,305 2.138,308 1,309 0.83,310 1,311 0.8,312 0.5,313 1,314 1,315 0.88,316 75.5,317 456,318 4.398,319 3.542,320 6.443,321 4.003,322 3.041,323 4.075,324 0.98,325 9.893,326 2.93,327 4.349,328 3.426,329 6.398,330 3.936,331 2.973,332 4.005,333 0.86,334 9.721,335 2.849,336 4.144,337 3.127,338 6.143,339 3.818,340 2.869,341 3.694,342 0.8,343 9.057,344 2.726,345 3.8,346 5.562,347 2.544,348 3.112,349 0.657,350 7.598,351 3.524,352 5.101,353 3.123,354 2.168,355 2.812,356 0.4,357 6.147,358 2.058,359 3.474,360 5.016,361 3.066,362 2.133,363 2.791,365 5.946,366 1.971,367 3.232,368 2.8,369 1.879,370 2.481,372 5.225,373 1.738,374 3.168,375 2.322,376 4.77,377 2.324,378 5.036,379 1.678,380 2.95,381 2.088,382 4.427,383 2.672,384 1.749,385 2.008,386 4.444,387 1.609,388 2.664,389 1.767,390 3.72,391 2.151,392 1.196,393 1.672,394 2.785,395 1.133,396 2.5,397 1.516,398 3.543,399 2.03,400 1.126,401 1.5,402 2.677,403 1.004,404 2.257,405 1.391,406 3.504,407 2,408 1,409 1.242,410 2.32,411 1,412 2.114,413 1.256,414 3.414,415 1.952,416 1,417 1.069,418 2.275,419 0.946,420 2,421 1,422 3.247,423 1.858,424 0.953,425 1,426 2.136,427 0.851,428 1.465,429 0.6,430 2.971,431 0.177,432 0.215,433 0.455,434 0.164,435 14.924,436 0.452,437 0.856,438 0.026,439 43.5,440 1.318,441 21,442 0.636,443 22.5,444 0.682,445 26.122,446 0.792,447 0.679,448 37.235,449 1.128,450 9.079,451 0.275,452 6.823,453 0.207,454 0.107,456 0.362,458 0.695,459 1.12,460 0.667,461 1.079,462 0.578,463 0.907,464 0.798,465 0.987,466 0.796,467 1.004,468 0.559,469 0.93,470 1.068,471 1.175,472 1.002,473 1.055,474 0.965,475 1.012,476 0.64,477 0.846,478 0.987,479 1.089,480 0.678,481 1.158,482 7.056}
{0 CHEMBL488649,1 0.811,2 123.768,3 34.382,4 1.145,5 2.591,6 27.032,7 0.871,8 2,9 466.891,10 4,11 4,12 5,13 8.191,14 75.498,15 45.392,16 0.665,17 2,18 34.147,19 1.02,20 70.568,21 1.751,22 1.751,23 0.282,24 54.38,25 6,26 10,27 1.12,28 638.607,29 1.449,30 1.816,31 2.324,32 30.197,33 7.943,34 0.976,35 4.878,36 5.134,37 1.831,38 1.831,39 0.775,40 4.147,41 5.882,42 19.189,43 12.799,44 6.091,45 7.028,46 3.7,47 6.247,48 4.582,49 2.883,50 1.153,51 14.687,52 0.125,53 0.184,54 0.086,55 11.876,56 13.75,57 4.969,58 2.866,59 4.083,60 4.904,61 2.732,62 11.1,63 4.769,64 1900,65 3.486,66 2.387,67 1.1,68 35.162,69 1.743,70 29376.4,71 170.636,72 37.961,73 30.4,74 3.901,75 2.068,76 17.146,77 118.791,78 35.066,79 0.5,80 2.056,81 -0.065,82 1.519,83 2.674,84 49443,85 0.05,86 1.76,87 3.317,88 11.001,89 8.157,90 0.514,91 4.113,92 4.237,93 3.739,94 3.592,95 5.32,96 3.613,97 4.631,98 4.797,99 4.093,100 3.959,101 3.964,102 4.878,103 5.08,104 4.081,105 6.064,106 4.063,107 5.129,108 4.051,109 3.995,110 3.924,111 4.01,112 5.906,113 3.935,114 4.778,115 5.016,116 3.934,117 3.918,118 5.957,119 3.872,120 4.649,121 4.863,122 3.939,123 3.842,124 5.859,125 3.831,126 4.65,127 4.851,128 4,129 3.809,130 6.16,131 3.806,132 0.166,133 9.532,134 4.411,135 18.292,136 5.344,137 1.498,138 18.974,139 7.415,140 43.099,141 9.103,142 0.72,143 27.228,144 9.14,145 11.638,146 1.867,147 29.155,148 9.74,149 12.978,150 1.54,151 9.513,152 13.652,153 0.775,154 1.462,155 26.93,156 8.266,157 82.698,158 11.516,159 0.542,160 1.4,161 22.104,162 7.257,163 52.822,164 9.5,165 0.8,166 21.693,167 6.746,168 100.643,169 9.173,170 18,171 48,172 0.29,173 0.653,174 0.785,175 0.839,176 0.851,177 0.851,178 3.502,179 0.86,180 -3.94,181 -3.9,182 -3.7,184 40.7,189 5,192 7,193 2,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 5,214 1,215 4,216 5,217 1,218 1,219 2,222 3,223 3,225 2,226 5,227 2,228 4,229 2,230 3,231 1,232 1,235 7,237 1,240 1,242 6,244 1,245 1,246 4,247 1,248 4,249 1,250 2,251 2,254 4,255 2,257 1,259 6,261 1,263 6,265 2,267 4,270 3,272 1,274 2,276 4,277 2,278 21.585,279 21.585,280 21.585,281 21.585,282 21.585,283 22.18,284 17.276,285 17.276,286 17.276,287 17.276,288 17.276,289 13.665,290 18.282,291 3.995,292 1.794,293 0.994,294 0.667,295 0.593,296 0.593,297 4.199,300 1,301 949,302 3.24,305 2.141,308 1,309 1,310 1,311 0.8,312 0.5,313 1,314 1,315 0.9,316 72,317 440,318 4.371,319 3.541,320 6.426,321 3.981,322 3.014,323 4.014,324 0.98,325 9.854,326 2.923,327 4.224,328 3.252,329 6.143,330 3.821,331 2.872,332 3.876,333 0.86,334 9.057,335 2.732,336 4.144,337 3.127,338 6.056,339 3.804,340 2.842,341 3.694,342 0.8,343 8.697,344 2.724,345 3.8,346 5.562,347 2.543,348 3.112,349 0.657,350 7.598,351 3.523,352 5.1,353 3.123,354 2.167,355 2.812,356 0.4,357 6.146,358 2.058,359 3.467,360 4.963,361 3.063,362 2.13,363 2.779,365 5.834,366 1.969,367 3.169,368 2.8,369 1.859,370 2.327,372 5.033,373 1.737,374 2.95,375 2.126,376 4.427,377 2.009,378 4.445,379 1.61,380 2.843,381 1.974,382 4.17,383 2.407,384 1.457,385 1.971,386 3.745,387 1.365,388 2.661,389 1.534,390 3.705,391 2.139,392 1.189,393 1.67,394 2.77,395 1.123,396 2.5,397 1.479,398 3.504,399 2.03,400 1.123,401 1.5,402 2.674,403 1.004,404 2.257,405 1.256,406 3.414,407 2,408 1,409 1.242,410 2.275,411 1,412 2,413 1,414 3.27,415 1.952,416 1,417 1,418 2.136,419 0.946,420 1.979,421 0.991,422 3.247,423 1.685,424 0.751,425 0.891,426 1.752,427 0.697,428 1.448,429 0.511,430 2.971,431 0.16,432 0.195,433 0.418,434 0.149,435 14.638,436 0.457,437 0.767,438 0.024,439 42.75,440 1.336,441 21,442 0.656,443 21.75,444 0.68,445 24.549,446 0.767,447 0.651,448 35.111,449 1.097,450 8.86,451 0.277,452 6.631,453 0.207,454 0.089,456 0.335,458 0.727,459 1.175,460 0.703,461 1.08,462 0.596,463 0.916,464 0.831,465 1,466 0.839,467 1.003,468 0.554,469 0.944,470 1.068,471 1.169,472 1.021,473 1.052,474 0.934,475 1.026,476 0.714,477 0.912,478 1.038,479 1.093,480 0.764,481 1.152,482 6.509}
{0 CHEMBL488814,1 0.795,2 96.186,3 34.382,4 1.145,5 2.602,6 27.332,7 0.809,8 2,9 464.776,10 4,11 4,12 4,13 8.196,14 116.834,15 45.834,16 0.913,17 2,18 34.147,19 0.877,20 69.522,21 1.758,22 1.758,23 0.282,24 54.705,25 6,26 10,27 1.151,28 638.607,29 1.498,30 1.816,31 2.325,32 30.892,33 7.877,34 0.976,35 4.891,36 5.143,37 1.831,38 1.831,39 0.794,40 4.147,41 5.882,42 19.189,43 12.802,44 6.096,45 7.028,46 3.7,47 6.147,48 4.581,49 2.88,50 1.153,51 14.687,52 0.125,53 0.184,54 0.086,55 11.881,56 13.313,57 4.97,58 2.883,59 4.069,60 4.903,61 2.744,62 11.1,63 4.776,64 1886,65 3.485,66 2.387,67 1.099,68 35.162,69 1.744,70 29185.5,71 170.433,72 37.496,73 30.357,74 3.88,75 2.068,76 17.146,77 118.791,78 35.066,79 0.5,80 2.056,81 -0.065,82 1.519,83 2.682,84 48803,85 0.059,86 1.76,87 3.317,88 11.001,89 8.157,90 0.514,91 4.113,92 4.237,93 3.739,94 3.592,95 5.32,96 3.613,97 4.631,98 4.797,99 4.093,100 3.959,101 3.964,102 4.878,103 5.08,104 4.081,105 6.069,106 4.063,107 5.127,108 4.05,109 3.997,110 3.98,111 4.009,112 6.098,113 3.942,114 4.773,115 5.012,116 3.926,117 3.918,118 5.921,119 3.872,120 4.65,121 4.863,122 3.971,123 3.841,124 5.898,125 3.835,126 4.654,127 4.853,128 4.023,129 3.807,130 6.161,131 3.817,132 0.166,133 9.532,134 4.411,135 18.292,136 5.344,137 1.498,138 18.974,139 7.415,140 43.099,141 9.103,142 0.72,143 27.228,144 9.14,145 11.638,146 1.78,147 28.976,148 9.74,149 12.845,150 1.72,151 9.55,152 13.448,153 0.707,154 1.441,155 26.695,156 8.268,157 76.338,158 11.571,159 0.562,160 1.428,161 22.071,162 7.242,163 53.448,164 9.606,165 0.768,166 21.741,167 6.786,168 98.52,169 8.946,170 18,171 48,172 0.29,173 0.653,174 0.779,175 0.833,176 0.851,177 0.851,178 3.502,179 0.86,180 -3.94,181 -3.9,182 -3.7,184 40.7,189 5,192 7,193 2,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 5,214 1,215 4,216 5,217 1,218 1,219 2,222 3,223 4,225 2,226 5,227 2,228 4,229 2,230 2,231 1,232 1,235 7,237 1,239 1,240 1,242 5,244 1,245 1,246 4,247 1,248 3,249 1,250 2,251 3,254 4,255 3,257 1,259 4,261 1,263 4,265 2,267 3,270 5,272 1,274 4,276 4,277 3,278 21.585,279 21.585,280 21.585,281 21.585,282 21.585,283 22.18,284 17.276,285 17.276,286 17.276,287 17.276,288 17.276,289 13.665,290 18.285,291 3.995,292 1.794,293 1.031,294 0.704,295 0.593,296 0.593,297 4.199,300 1,301 918,302 3.24,305 2.125,308 1,309 1,310 1,311 0.8,312 0.5,313 1,314 1,315 0.9,316 72,317 426,318 4.372,319 3.541,320 6.426,321 3.981,322 3.014,323 4.014,324 0.98,325 9.855,326 2.923,327 4.226,328 3.246,329 6.143,330 3.821,331 2.872,332 3.877,333 0.86,334 9.057,335 2.737,336 4.144,337 3.127,338 6.062,339 3.808,340 2.844,341 3.694,342 0.8,343 8.732,344 2.725,345 3.8,346 5.562,347 2.543,348 3.112,349 0.657,350 7.598,351 3.522,352 5.099,353 3.119,354 2.163,355 2.811,356 0.4,357 6.144,358 2.054,359 3.447,360 4.92,361 3.026,362 2.103,363 2.759,365 5.675,366 1.92,367 3.181,368 2.818,369 1.878,370 2.34,372 5.067,373 1.75,374 2.952,375 2.128,376 4.428,377 2.018,378 4.448,379 1.617,380 2.871,381 1.958,382 4.228,383 2.46,384 1.492,385 1.995,386 3.909,387 1.431,388 2.659,389 1.527,390 3.704,391 2.136,392 1.187,393 1.669,394 2.767,395 1.119,396 2.5,397 1.464,398 3.504,399 2.03,400 1.123,401 1.5,402 2.674,403 1.004,404 2.257,405 1.256,406 3.414,407 2,408 1,409 1.242,410 2.275,411 1,412 2,413 1,414 3.247,415 1.952,416 1,417 1,418 2.136,419 0.946,420 1.911,421 0.886,422 3.242,423 1.601,424 0.662,425 0.8,426 1.576,427 0.618,428 1.449,429 0.755,430 2.971,431 0.163,432 0.199,433 0.418,434 0.151,435 14.638,436 0.457,437 0.767,438 0.024,439 42.75,440 1.336,441 21,442 0.656,443 21.75,444 0.68,445 24.608,446 0.769,447 0.651,448 35.181,449 1.099,450 8.86,451 0.277,452 6.631,453 0.207,454 0.089,456 0.335,458 0.727,459 1.175,460 0.703,461 1.08,462 0.596,463 0.916,464 0.831,465 1,466 0.839,467 1.003,468 0.554,469 0.944,470 1.068,471 1.169,472 1.021,473 1.052,474 0.927,475 1.026,476 0.831,477 0.988,478 1.064,479 1.097,480 0.915,481 1.142,482 8.796}
{0 CHEMBL512519,1 0.92,2 93.135,3 35.365,4 1.151,5 2.567,6 39.866,7 0.774,9 493.879,10 2,11 8,12 8,13 7.999,14 150.348,15 54.714,16 1.311,18 4.227,19 0.912,20 62.58,21 1.754,22 1.754,23 0.331,24 56.57,25 6,26 11,27 1.176,28 734.718,29 1.724,30 1.894,31 2.318,32 37.74,33 8.103,34 1.085,35 5.046,36 5.301,37 1.831,38 1.832,39 0.836,40 4.215,41 6.291,42 20.329,43 13.356,44 6.34,45 7.361,46 5.3,47 6.293,48 4.742,49 2.917,50 1.153,51 15.097,52 0.123,53 0.196,54 0.091,55 13.069,56 13.529,57 5.058,58 2.893,59 4.227,60 4.995,61 2.808,62 10.5,63 4.772,64 2284,65 3.486,66 2.387,67 1.575,68 37.976,69 1.76,70 34702.5,71 184.237,72 39.716,73 31.811,74 3.913,75 2.069,76 18.101,77 124.332,78 36.976,79 1.09,80 2.058,81 -0.101,82 1.519,83 2.679,84 59047,85 0.057,86 1.792,87 3.848,88 14.808,89 8.29,90 0.486,91 4.167,92 4.29,93 3.801,94 3.638,95 5.362,96 3.663,97 4.713,98 4.877,99 4.22,100 4.01,101 4.021,102 4.915,103 5.113,104 4.152,105 6.083,106 4.131,107 5.21,108 4.142,109 4.11,110 4.1,111 4.085,112 6.287,113 4.039,114 4.859,115 5.101,116 3.977,117 3.974,118 6.021,119 3.934,120 4.714,121 4.925,122 4.066,123 3.918,124 6.015,125 3.914,126 4.736,127 4.924,128 4.139,129 3.91,130 6.114,131 3.937,132 0.217,133 9.741,134 4.769,135 30.972,136 5.618,137 1.981,138 21.215,139 8.084,140 156.787,141 9.635,142 0.732,143 27.085,144 9.718,145 12.722,146 2.096,147 30.516,148 10.966,149 13.977,150 2.007,151 10.903,152 14.193,153 0.933,154 1.588,155 29.916,156 9.068,157 111.699,158 12.026,159 0.74,160 1.552,161 23.171,162 7.565,163 72.64,164 10.161,165 0.588,166 22.049,167 7.722,168 56.12,169 9.636,170 30,171 52,172 0.292,173 0.641,174 0.766,175 0.818,176 0.841,177 0.846,178 3.56,179 0.857,180 -4.26,181 -4.2,182 -3.97,184 40.4,189 5,191 1,192 8,193 3,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 5,214 1,215 4,216 5,217 1,218 1,219 2,222 4,223 5,225 2,226 5,227 2,228 4,229 2,230 3,231 1,232 1,235 8,237 1,239 1,240 2,242 6,244 1,245 1,246 4,247 1,248 4,249 1,250 2,251 5,254 6,255 3,257 2,259 6,261 1,263 6,265 2,267 4,270 5,272 1,274 4,276 6,277 3,278 22.609,279 22.609,280 22.609,281 22.609,282 22.609,283 23.342,284 18.288,285 18.288,286 18.288,287 18.288,288 18.288,289 14.801,290 19.548,291 4.041,292 1.904,293 1.136,294 0.82,295 0.68,296 0.645,297 4.254,300 1,301 984,302 4,305 2.204,308 1,309 0.83,310 1,311 0.8,312 0.5,313 1,314 1,315 0.88,316 77.5,317 460,318 4.536,319 4.471,320 7.247,321 4.256,322 3.375,323 4.022,324 3.825,325 12.232,326 3.028,327 4.366,328 3.54,329 6.425,330 3.974,331 3.007,332 3.982,333 0.98,334 9.851,335 2.914,336 4.144,337 3.127,338 6.143,339 3.819,340 2.87,341 3.694,342 0.86,343 9.057,344 2.726,345 3.8,346 5.59,347 2.544,348 3.112,349 0.8,350 7.598,351 3.658,352 5.561,353 3.332,354 2.412,355 2.858,356 0.657,357 7.349,358 2.15,359 3.521,360 5.098,361 3.113,362 2.159,363 2.811,364 0.4,365 6.142,366 2.044,367 3.18,368 2.813,369 1.868,370 2.343,372 5.045,373 1.753,374 2.954,375 2.072,376 4.427,377 2.069,378 4.445,379 1.618,380 2.902,381 1.714,382 4.155,383 2.466,384 1.473,385 2.006,386 3.511,387 1.46,388 2.66,389 1.519,390 3.705,391 2.139,392 1.188,393 1.67,394 2.828,395 1.121,396 2.584,397 1.439,398 3.616,399 2.117,400 1.157,401 1.617,402 2.765,403 1.093,404 2.5,405 1.335,406 3.504,407 2.03,408 1.122,409 1.5,410 2.674,411 1.004,412 2.257,413 1.256,414 3.414,415 2,416 1,417 1.242,418 2.275,419 1,420 2,421 1,422 3.247,423 1.952,424 1,425 1,426 2.136,427 0.946,428 1.873,429 0.825,430 3.19,431 0.638,432 0.762,433 1.505,434 0.596,435 15.424,436 0.454,437 0.949,438 0.028,439 44,440 1.294,441 21,442 0.618,443 23,444 0.676,445 27.713,446 0.815,447 0.666,448 38.915,449 1.145,450 9.132,451 0.269,452 7.177,453 0.211,454 0.103,455 0.032,456 0.285,457 3,458 0.689,459 1.131,460 0.684,461 1.097,462 0.623,463 0.929,464 0.617,465 0.791,466 0.789,467 0.951,468 0.387,469 0.94,470 0.753,471 1.01,472 0.888,473 1.064,474 0.588,475 1.034,476 0.784,477 1.115,478 0.975,479 1.202,480 0.799,481 1.175,482 7.602}
{0 CHEMBL512533,1 0.917,2 61.31,3 33.336,4 1.133,5 2.321,7 0.955,9 448.615,10 2,11 9,12 10,13 5.018,14 49.476,15 25.823,16 0.387,18 4.227,19 0.483,20 35.011,21 1.495,22 1.495,23 0.29,24 54.054,25 6,26 8,27 5.317,28 458.384,29 1.33,30 1.63,31 2.087,32 34.503,33 7.728,34 0.883,35 4.985,36 5.265,37 1.831,38 1.832,39 0.933,40 4.072,41 5.763,42 18.766,43 12.665,44 6.019,45 6.861,47 6.018,48 4.171,49 2.867,50 1.164,51 15.097,52 0.129,53 0.189,54 0.089,55 11.43,56 13.194,57 4.924,58 2.891,59 4.001,60 4.953,61 2.59,62 10.5,63 4.428,64 1743,65 3.485,66 2.387,67 1.096,68 33.433,69 1.735,70 26541.4,71 163.477,72 36.183,73 29.6,74 3.854,75 2.069,76 17.467,77 123.399,78 35.826,79 0.337,80 2.06,81 -0.093,82 1.512,83 2.486,84 35974,85 -0.074,86 1.556,87 3.392,88 11.506,89 7.343,90 0.529,91 4.143,92 4.276,93 3.695,94 3.643,95 5.249,96 3.633,97 4.665,98 4.847,99 4.026,100 4.016,101 3.981,102 4.892,103 5.101,104 4.158,105 5.903,106 4.093,107 5.187,108 4.152,109 4.046,110 3.893,111 4.094,112 5.891,113 3.981,114 4.824,115 5.079,116 3.874,117 3.98,118 5.825,119 3.899,120 4.684,121 4.907,122 3.883,123 3.924,124 5.754,125 3.873,126 4.694,127 4.901,128 3.897,129 3.921,130 5.867,131 3.868,132 0.045,133 11.977,134 4.684,135 10.029,136 6.468,137 1.363,138 22.371,139 7.896,140 35.038,141 10.969,142 0.339,143 29.02,144 9.615,145 13.975,146 1.691,147 31.382,148 10.751,149 15.884,150 1.624,151 10.704,152 16.434,153 0.399,154 1.411,155 28.899,156 8.955,157 48.189,158 13.401,159 0.312,160 1.309,161 24.018,162 7.518,163 32.149,164 11,165 0.218,166 23.589,167 7.56,168 38.149,169 11.179,170 11,171 46,172 0.254,173 0.612,174 0.766,175 0.818,176 0.841,177 0.846,178 3.471,179 0.904,180 -3.94,181 -3.9,182 -3.7,184 40.4,185 1,189 5,192 8,193 3,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 5,214 1,215 4,216 5,217 1,218 1,219 2,222 4,223 7,225 2,226 5,227 2,228 4,229 2,230 4,231 1,232 2,235 8,237 1,239 1,240 2,242 7,244 1,245 1,246 4,247 1,248 5,249 1,250 2,251 5,254 6,255 3,257 2,259 8,261 1,263 8,265 2,267 5,270 5,272 1,274 4,276 6,277 3,278 21.137,279 21.137,280 21.137,281 21.137,282 21.137,283 21.619,284 16.793,285 16.793,286 16.793,287 16.793,288 16.793,289 13.254,290 17.571,291 4.277,292 2.081,293 1.136,294 0.82,295 0.68,296 0.645,297 4.17,300 1,301 885,302 3.162,305 2.071,308 1,309 1,310 1,311 0.8,312 0.5,313 1,314 1,315 0.9,316 67,317 409,318 4.371,319 3.54,320 6.426,321 3.981,322 3.012,323 4.013,324 0.98,325 9.854,326 2.925,327 4.158,328 3.127,329 6.143,330 3.819,331 2.87,332 3.771,333 0.86,334 9.057,335 2.776,336 4.142,337 3.038,338 6.02,339 3.78,340 2.783,341 3.694,342 0.8,343 8.543,344 2.726,345 3.8,346 5.562,347 2.543,348 3.112,349 0.657,350 7.598,351 3.522,352 5.099,353 3.116,354 2.161,355 2.811,356 0.4,357 6.144,358 2.052,359 3.189,360 4.777,361 2.837,362 1.889,363 2.348,365 5.075,366 1.779,367 2.954,368 2.686,369 1.76,370 2.076,372 4.447,373 1.626,374 2.903,375 1.834,376 4.199,377 2.008,378 3.844,379 1.476,380 2.842,381 1.527,382 3.704,383 2.414,384 1.414,385 1.971,386 2.983,387 1.414,388 2.659,389 1.495,390 3.603,391 2.136,392 1.187,393 1.669,394 2.766,395 1.119,396 2.5,397 1.438,398 3.504,399 2.03,400 1.123,401 1.5,402 2.674,403 1.004,404 2.257,405 1.256,406 3.414,407 2,408 1,409 1.242,410 2.275,411 1,412 2,413 1,414 3.247,415 1.952,416 1,417 1,418 2.136,419 0.946,420 1.901,421 0.83,422 3.189,423 1.601,424 0.656,425 0.791,426 1.527,427 0.618,428 1.437,429 0.44,430 2.971,431 0.155,432 0.189,433 0.408,434 0.145,435 14.567,436 0.47,437 0.661,438 0.021,439 41.75,440 1.347,441 21,442 0.677,443 20.75,444 0.669,445 24.237,446 0.782,447 0.587,448 32.267,449 1.041,450 8.493,451 0.274,452 6.604,453 0.213,454 0.085,456 0.302,458 0.915,459 1.39,460 0.817,461 1.099,462 0.761,463 0.958,464 1.012,465 1.028,466 0.915,467 0.96,468 0.581,469 0.933,470 1.107,471 1.227,472 1.043,473 1.068,474 0.91,475 1.05,476 0.604,477 1.123,478 1.059,479 1.2,480 0.681,481 1.2,482 7.959}
{0 CHEMBL512874,1 0.882,2 68.461,3 34.106,4 1.139,5 2.447,6 13.407,7 0.869,8 1,9 450.446,10 3,11 6,12 6,13 7.437,14 69.384,15 35.084,16 0.598,17 1,18 19.187,19 0.615,20 53.132,21 1.727,22 1.727,23 0.29,24 55.655,25 6,26 9,27 3.049,28 544.495,29 1.324,30 1.667,31 2.308,32 30.527,33 7.795,34 0.909,35 4.878,36 5.135,37 1.831,38 1.831,39 0.858,40 4.071,41 5.814,42 18.741,43 12.646,44 6.044,45 6.833,46 1.9,47 6.025,48 4.577,49 2.877,50 1.153,51 14.687,52 0.129,53 0.189,54 0.089,55 11.452,56 13.226,57 4.923,58 2.866,59 4.002,60 4.88,61 2.642,62 11.1,63 4.693,64 1760,65 3.485,66 2.387,67 1.092,68 33.648,69 1.735,70 26742.8,71 163.705,72 36.785,73 29.645,74 3.87,75 2.067,76 16.845,77 118.575,78 34.682,79 0.409,80 2.057,81 -0.074,82 1.506,83 2.658,84 41790,85 -0.024,86 1.687,87 3.111,88 9.68,89 7.824,90 0.529,91 4.105,92 4.232,93 3.703,94 3.594,95 5.269,96 3.603,97 4.621,98 4.792,99 4.042,100 3.961,101 3.949,102 4.863,103 5.071,104 4.084,105 5.965,106 4.042,107 5.113,108 4.054,109 3.977,110 3.902,111 4.011,112 5.918,113 3.928,114 4.764,115 5.007,116 3.86,117 3.92,118 5.834,119 3.857,120 4.635,121 4.855,122 3.882,123 3.845,124 5.807,125 3.81,126 4.625,127 4.836,128 3.881,129 3.811,130 5.866,131 3.789,132 0.106,133 10.302,134 4.383,135 13.397,136 5.63,137 1.395,138 19.831,139 7.369,140 38.988,141 9.548,142 0.539,143 27.607,144 9.071,145 12.338,146 1.632,147 28.704,148 9.658,149 13.696,150 1.56,151 9.511,152 13.768,153 0.539,154 1.372,155 26.727,156 8.26,157 59.797,158 11.808,159 0.448,160 1.3,161 22.307,162 7.188,163 44.317,164 10.096,165 0.388,166 21.625,167 6.76,168 43.974,169 9.35,170 11,171 46,172 0.278,173 0.638,174 0.778,175 0.839,176 0.851,177 0.851,178 3.471,179 0.876,180 -3.84,181 -3.8,182 -3.61,184 40.7,189 5,192 8,193 2,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 5,214 1,215 4,216 5,217 1,218 1,219 2,222 4,223 4,225 2,226 5,227 2,228 4,229 2,230 2,231 1,232 1,235 8,237 1,239 1,240 2,242 5,244 1,245 1,246 4,247 1,248 3,249 1,250 2,251 5,254 6,255 3,257 2,259 4,261 1,263 4,265 2,267 3,270 5,272 1,274 4,276 6,277 3,278 21.085,279 21.085,280 21.085,281 21.085,282 21.085,283 21.629,284 16.815,285 16.815,286 16.815,287 16.815,288 16.815,289 13.281,290 17.715,291 4.068,292 1.884,293 1.037,294 0.667,295 0.593,296 0.593,297 4.17,300 1,301 887,302 3.162,305 2.104,308 1,309 1,310 1,311 0.8,312 0.5,313 1,314 1,315 0.9,316 68.5,317 410,318 4.369,319 3.54,320 6.425,321 3.978,322 3.01,323 4.012,324 0.98,325 9.852,326 2.921,327 4.144,328 3.127,329 6.143,330 3.819,331 2.87,332 3.695,333 0.86,334 9.057,335 2.726,336 4.039,337 3.007,338 5.562,339 3.624,340 2.647,341 3.645,342 0.8,343 7.599,344 2.583,345 3.8,346 5.504,347 2.543,348 3.112,349 0.657,350 7.44,351 3.522,352 5.099,353 3.119,354 2.162,355 2.811,356 0.4,357 6.144,358 2.054,359 3.327,360 4.814,361 2.966,362 2.026,363 2.569,365 5.397,366 1.886,367 3.139,368 2.764,369 1.818,370 2.302,372 4.918,373 1.708,374 2.949,375 2.053,376 4.427,377 2.008,378 4.441,379 1.599,380 2.678,381 1.553,382 3.706,383 2.198,384 1.213,385 1.75,386 2.773,387 1.189,388 2.654,389 1.495,390 3.504,391 2.133,392 1.181,393 1.669,394 2.676,395 1.117,396 2.5,397 1.289,398 3.488,399 2.03,400 1.122,401 1.5,402 2.617,403 1.004,404 2.257,405 1.256,406 3.414,407 2,408 1,409 1.242,410 2.275,411 1,412 2,413 1,414 3.247,415 1.952,416 1,417 1,418 2.136,419 0.946,420 1.851,421 0.815,422 3.197,423 1.554,424 0.62,425 0.736,426 1.486,427 0.577,428 1.43,429 0.43,430 2.971,431 0.153,432 0.186,433 0.404,434 0.143,435 14.352,436 0.463,437 0.677,438 0.022,439 42,440 1.355,441 21,442 0.677,443 21,444 0.677,445 23.129,446 0.746,447 0.623,448 33.166,449 1.07,450 8.641,451 0.279,452 6.44,453 0.208,454 0.071,456 0.307,458 0.789,459 1.256,460 0.747,461 1.081,462 0.637,463 0.926,464 0.895,465 1.021,466 0.891,467 1.002,468 0.553,469 0.959,470 1.085,471 1.167,472 1.047,473 1.049,474 0.929,475 1.04,476 0.653,477 0.985,478 0.989,479 1.1,480 0.683,481 1.118,482 8.745}
{0 CHEMBL512894,1 0.992,2 78.823,3 34.36,4 1.132,5 2.595,7 0.747,9 493.88,10 3,11 6,12 6,13 7.437,14 101.465,15 44.846,16 0.779,18 4.227,19 0.656,20 73.144,21 1.754,22 1.754,23 0.331,24 54.502,25 6,26 11,27 3.206,28 572.716,29 1.473,30 1.751,31 2.325,32 39.802,33 8.103,34 0.951,35 5.091,36 5.332,37 1.832,38 1.834,39 0.863,40 4.271,41 6.03,42 19.989,43 13.356,44 6.34,45 7.361,47 6.209,48 4.696,49 2.974,50 1.164,51 17.203,52 0.131,53 0.196,54 0.091,55 12.769,56 13.529,57 5.058,58 2.893,59 4.247,60 5.017,61 2.861,62 10,63 4.772,64 2284,65 3.486,66 2.387,67 1.576,68 37.333,69 1.76,70 34702.5,71 184.237,72 39.716,73 31.811,74 3.913,75 2.073,76 19.508,77 132.113,78 38.443,79 0.546,80 2.094,81 -0.138,82 1.519,83 2.68,84 52875,85 0.058,86 1.744,87 2.432,88 5.914,89 8.044,90 0.486,91 4.205,92 4.317,93 3.945,94 3.737,95 5.315,96 3.711,97 4.742,98 4.9,99 4.218,100 4.103,101 4.069,102 4.98,103 5.169,104 4.246,105 6.117,106 4.186,107 5.219,108 4.255,109 4.169,110 4.1,111 4.211,112 6.19,113 4.111,114 4.968,115 5.223,116 4.032,117 4.086,118 6.008,119 3.997,120 4.774,121 4.99,122 4.115,123 4.022,124 5.944,125 3.965,126 4.774,127 4.953,128 4.223,129 4.032,130 6.035,131 4.003,132 0.146,133 13.979,134 5.581,135 23.081,136 6.542,137 1.466,138 25.821,139 9.297,140 71.943,141 11.263,142 0.636,143 32.676,144 11.11,145 14.105,146 1.832,147 36.086,148 12.264,149 16.01,150 1.798,151 12.471,152 17.085,153 0.707,154 1.592,155 35.466,156 10.584,157 85.235,158 14.99,159 0.528,160 1.425,161 27.093,162 8.978,163 56.046,164 11.977,165 0.43,166 27.796,167 8.279,168 51.398,169 10.997,170 30,171 52,172 0.28,173 0.631,174 0.775,175 0.829,176 0.845,177 0.845,178 3.56,179 1.021,180 -3.14,181 -3.14,182 -3.02,184 38.3,188 1,189 5,192 8,193 2,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 2,212 5,214 1,215 4,216 5,217 1,218 1,219 6,222 3,223 4,225 2,226 9,227 2,228 4,229 2,230 3,231 1,232 1,235 9,237 3,239 1,240 1,242 6,244 1,245 1,246 4,247 1,248 4,249 1,250 4,251 5,254 4,255 3,257 1,259 6,261 1,263 6,265 2,267 4,269 4,270 5,271 2,272 5,274 4,276 4,277 3,278 22.609,279 22.609,280 22.609,281 22.609,282 22.609,283 23.324,284 18.288,285 18.288,286 18.288,287 18.288,288 18.288,289 14.251,290 19.482,291 4.163,292 1.977,293 1.079,294 0.746,295 0.646,296 0.646,297 4.254,301 984,302 4,305 2.204,308 1,309 0.67,310 1,311 0.8,312 0.5,313 0.83,314 0.5,315 0.76,316 75,317 460,318 4.842,319 5.19,320 7.247,321 4.254,322 3.375,323 4.704,324 2.95,325 12.232,326 2.965,327 4.368,328 3.54,329 6.425,330 3.975,331 3.007,332 4.012,333 0.98,334 9.851,335 2.909,336 4.144,337 3.127,338 6.143,339 3.819,340 2.87,341 3.695,342 0.86,343 9.057,344 2.726,345 3.862,346 5.59,347 2.544,348 3.405,349 0.8,350 7.598,351 3.8,352 5.561,353 3.379,354 2.412,355 3.112,356 0.657,357 7.349,358 2.295,359 3.522,360 5.098,361 3.114,362 2.159,363 2.811,364 0.4,365 6.142,366 2.049,367 3.183,368 2.816,369 1.868,370 2.345,372 5.045,373 1.759,374 2.954,375 2.159,376 4.427,377 2.07,378 4.445,379 1.619,380 2.902,381 2.015,382 4.155,383 2.466,384 1.473,385 2.006,386 3.511,387 1.46,388 2.668,389 1.605,390 3.705,391 2.146,392 1.188,393 1.718,394 2.828,395 1.134,396 2.655,397 1.516,398 3.616,399 2.13,400 1.157,401 1.669,402 2.765,403 1.116,404 2.5,405 1.438,406 3.504,407 2.03,408 1.122,409 1.5,410 2.674,411 1.004,412 2.257,413 1.256,414 3.414,415 2,416 1,417 1.242,418 2.275,419 1,420 2,421 1,422 3.247,423 1.952,424 1,425 1,426 2.136,427 0.946,428 1.88,429 0.848,430 3.19,431 0.638,432 0.765,433 1.505,434 0.596,435 16.067,436 0.473,437 0.949,438 0.028,439 46.75,440 1.375,441 24,442 0.706,443 22.75,444 0.669,445 27.249,446 0.801,447 0.622,448 39.379,449 1.158,450 9.247,451 0.272,452 7.062,453 0.208,454 0.118,455 0.052,456 0.274,458 0.727,459 1.401,460 0.827,461 1.199,462 0.697,463 0.952,464 0.89,465 1.056,466 1.008,467 1.049,468 0.55,469 0.937,470 1.177,471 1.148,472 0.993,473 0.954,474 1.059,475 0.998,476 0.716,477 1.154,478 1.11,479 1.244,480 0.761,481 1.192,482 5.699}
{0 CHEMBL513401,1 0.958,2 69.431,3 33.39,4 1.132,5 2.508,7 0.987,9 452.944,10 1,11 13,12 15,13 5.018,14 45.863,15 22.928,16 0.317,18 4.227,19 0.552,20 35.364,21 1.478,22 1.478,23 0.29,24 53.206,25 6,26 7,27 4.436,28 412.649,29 1.37,30 1.757,31 2.077,32 34.505,33 7.911,34 0.914,35 4.99,36 5.276,37 1.869,38 1.87,39 0.943,40 4.055,41 5.739,42 18.766,43 12.613,44 6.032,45 6.833,47 6.047,48 4.168,49 2.762,50 1.153,51 15.081,52 0.128,53 0.189,54 0.089,55 11.447,56 13.806,57 4.923,58 2.866,59 3.979,60 5.068,61 2.649,62 10.2,63 4.756,64 1770,65 3.504,66 2.442,67 1.144,68 33.267,69 1.734,70 27034.2,71 164.048,72 37.396,73 29.706,74 3.9,75 2.085,76 17.714,77 125.57,78 36.638,79 0.301,80 2.094,81 -0.065,82 1.506,83 2.472,84 33046,85 -0.081,86 1.473,87 3.747,88 14.042,89 7.061,90 0.529,91 4.162,92 4.303,93 3.682,94 3.69,95 5.237,96 3.662,97 4.693,98 4.886,99 4.015,100 4.088,101 4.026,102 4.969,103 5.193,104 4.244,105 5.909,106 4.144,107 5.335,108 4.205,109 4.07,110 3.879,111 4.108,112 5.862,113 3.985,114 4.819,115 5.075,116 3.865,117 4.013,118 5.807,119 3.921,120 4.722,121 4.952,122 3.86,123 3.974,124 5.765,125 3.899,126 4.754,127 4.99,128 3.815,129 3.944,130 5.848,131 3.861,132 0.056,133 12.883,134 4.968,135 10.94,136 7.124,137 1.442,138 23.406,139 8.57,140 33.581,141 12.377,142 0.211,143 31.75,144 11.371,145 16.795,146 1.812,147 36.846,148 12.443,149 18.731,150 1.647,151 10.97,152 16.98,153 0.361,154 1.458,155 28.526,156 8.918,157 44.75,158 13.62,159 0.213,160 1.368,161 25.139,162 8.171,163 34.727,164 12.288,165 0.276,166 26.375,167 8.23,168 46.903,169 12.345,170 11,171 46,172 0.239,173 0.593,174 0.756,175 0.812,176 0.83,177 0.83,178 3.471,179 0.934,180 -4.9,181 -4.81,182 -4.51,184 40.7,186 2,187 1,188 1,189 3,192 9,193 3,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 5,214 1,215 4,216 5,217 1,219 1,222 4,223 11,225 2,226 6,227 2,228 4,229 2,230 4,231 1,232 5,235 8,239 2,240 2,242 8,244 1,245 1,246 6,247 1,248 4,249 1,251 7,254 6,255 3,257 2,259 10,261 1,263 7,265 3,267 4,270 4,274 5,276 7,277 3,278 21.085,279 21.085,280 21.085,281 21.085,282 21.085,283 21.413,284 16.798,285 16.798,286 16.798,287 16.798,288 16.798,289 13.336,290 17.338,291 4.409,292 2.221,293 1.221,294 0.873,295 0.759,296 0.759,297 4.17,300 1,301 926,302 3.162,305 2.148,308 1,309 1,310 1,311 0.8,312 0.5,313 1,314 1,315 0.9,316 66,317 428,318 4.369,319 3.54,320 6.425,321 3.978,322 3.01,323 4.012,324 0.98,325 9.852,326 2.922,327 4.147,328 3.111,329 6.148,330 3.879,331 2.886,332 3.695,333 0.8,334 9.075,335 2.868,336 3.894,337 2.903,338 5.562,339 3.52,340 2.565,341 3.442,342 0.657,343 7.602,344 2.5,345 3.807,346 5.347,347 2.51,348 3.114,349 0.4,350 6.975,351 3.545,352 5.113,353 3.244,354 2.312,355 2.819,357 6.236,358 2.151,359 3.323,360 5.019,361 3.059,362 2.1,363 2.386,365 5.972,366 2,367 3.168,368 2.784,369 1.835,370 2.327,372 4.999,373 1.732,374 2.906,375 1.658,376 4.288,377 2.066,378 3.967,379 1.468,380 2.673,381 1.476,382 3.715,383 2.392,384 1.414,385 1.692,386 3.133,387 1.38,388 2.602,389 1.434,390 3.623,391 2.126,392 1.151,393 1.608,394 2.737,395 1.112,396 2.5,397 1.077,398 3.414,399 2,400 1,401 1.5,402 2.275,403 1,404 2.5,405 1,406 3.414,407 2,408 1,409 1.5,410 2.275,411 1,412 2,413 1,414 3.247,415 1.984,416 1,417 1,418 2.136,419 0.983,420 1.849,421 0.806,422 3.122,423 1.55,424 0.614,425 0.733,426 1.442,427 0.573,428 1.452,429 0.452,430 2.993,431 0.192,432 0.229,433 0.491,434 0.182,435 14.733,436 0.475,437 0.677,438 0.022,439 40.75,440 1.315,441 20.5,442 0.661,443 20.25,444 0.653,445 25.138,446 0.811,447 0.564,448 30.954,449 0.999,450 8.031,451 0.259,452 7.049,453 0.227,454 0.084,456 0.299,458 0.908,459 1.349,460 0.86,461 1.067,462 0.737,463 0.967,464 0.754,465 0.992,466 0.933,467 0.99,468 0.463,469 0.98,470 0.942,471 1.272,472 1.035,473 1.187,474 0.813,475 1.133,476 0.64,477 0.976,478 0.97,479 1.05,480 0.638,481 1.051,482 7.77}
{0 CHEMBL517122,1 0.937,2 77.641,3 33.859,4 1.133,5 2.491,7 0.951,9 452.944,10 2,11 8,12 9,13 6.449,14 46.373,15 28.587,16 0.346,18 4.227,19 0.662,20 49.259,21 1.478,22 1.478,23 0.29,24 57.038,25 6,26 8,27 4.011,28 444.799,29 1.287,30 1.68,31 2.093,32 31.506,33 7.911,34 0.886,35 4.91,36 5.18,37 1.865,38 1.868,39 0.982,40 4.066,41 5.775,42 18.766,43 12.613,44 6.032,45 6.833,47 6.063,48 4.208,49 2.761,50 1.153,51 15.081,52 0.128,53 0.189,54 0.089,55 11.448,56 13.806,57 4.923,58 2.866,59 3.981,60 4.986,61 2.582,62 10.5,63 4.756,64 1770,65 3.503,66 2.426,67 1.134,68 33.433,69 1.734,70 27034.2,71 164.048,72 37.396,73 29.706,74 3.9,75 2.076,76 17.161,77 123.008,78 35.826,79 0.269,80 2.073,81 -0.12,82 1.506,83 2.47,84 36842,85 -0.075,86 1.556,87 2.651,88 7.027,89 7.343,90 0.529,91 4.143,92 4.276,93 3.687,94 3.651,95 5.263,96 3.639,97 4.658,98 4.835,99 4.029,100 4.039,101 3.996,102 4.953,103 5.176,104 4.168,105 5.97,106 4.095,107 5.236,108 4.118,109 4.014,110 3.877,111 4.062,112 5.838,113 3.956,114 4.791,115 5.036,116 3.872,117 3.99,118 5.833,119 3.908,120 4.715,121 4.942,122 3.874,123 3.93,124 5.829,125 3.869,126 4.703,127 4.929,128 3.816,129 3.876,130 5.851,131 3.816,132 0.064,133 12.023,134 4.693,135 14.456,136 6.47,137 1.388,138 21.626,139 8.062,140 35.146,141 11.288,142 0.311,143 31.431,144 10.254,145 15.005,146 1.669,147 33.845,148 10.67,149 15.879,150 1.544,151 9.983,152 15.239,153 0.348,154 1.404,155 27.314,156 8.776,157 48.046,158 13.082,159 0.292,160 1.319,161 24.904,162 8.051,163 42.002,164 11.694,165 0.271,166 24.732,167 7.452,168 48.544,169 11.025,170 11,171 46,172 0.254,173 0.62,174 0.759,175 0.818,176 0.837,177 0.837,178 3.471,179 0.912,180 -3.94,181 -3.9,182 -3.7,184 40.4,186 2,189 3,190 1,192 9,193 2,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 7,214 1,215 4,216 7,217 1,219 2,222 4,223 5,225 2,226 5,227 2,228 5,229 2,230 3,231 1,232 5,235 6,237 1,239 1,240 6,242 4,244 1,245 1,246 6,247 1,248 4,249 1,250 2,251 5,254 10,255 3,257 2,259 6,263 6,265 2,267 4,270 9,272 1,273 1,274 4,276 6,277 3,278 21.085,279 21.085,280 21.085,281 21.085,282 21.085,283 21.448,284 16.798,285 16.798,286 16.798,287 16.798,288 16.798,289 13.336,290 17.432,291 4.277,292 2.032,293 1.18,294 0.82,295 0.702,296 0.702,297 4.17,300 1,301 926,302 3.162,305 2.148,308 1,309 1,310 1,311 0.8,312 0.5,313 1,314 1,315 0.9,316 67,317 428,318 4.369,319 3.54,320 6.425,321 3.977,322 3.01,323 4.012,324 0.98,325 9.852,326 2.921,327 4.147,328 3.127,329 6.148,330 3.835,331 2.886,332 3.695,333 0.8,334 9.075,335 2.743,336 3.894,337 2.904,338 5.562,339 3.516,340 2.565,341 3.442,342 0.657,343 7.602,344 2.5,345 3.807,346 5.347,347 2.51,348 3.114,349 0.4,350 6.975,351 3.545,352 5.113,353 3.265,354 2.312,355 2.819,357 6.236,358 2.193,359 3.323,360 5.019,361 3.058,362 2.1,363 2.386,365 5.972,366 2.001,367 3.168,368 2.783,369 1.835,370 2.327,372 4.999,373 1.728,374 2.906,375 1.668,376 4.288,377 2.066,378 3.967,379 1.465,380 2.673,381 1.591,382 3.715,383 2.364,384 1.414,385 1.692,386 3.133,387 1.336,388 2.602,389 1.44,390 3.623,391 2.125,392 1.151,393 1.608,394 2.737,395 1.111,396 2.5,397 1.077,398 3.414,399 2,400 1,401 1.5,402 2.275,403 1,404 2.5,405 1,406 3.414,407 2,408 1,409 1.5,410 2.275,411 1,412 2,413 1,414 3.247,415 1.984,416 1,417 1,418 2.136,419 0.983,420 1.849,421 0.806,422 3.122,423 1.55,424 0.614,425 0.733,426 1.442,427 0.573,428 1.452,429 0.457,430 2.993,431 0.192,432 0.229,433 0.491,434 0.18,435 14.567,436 0.47,437 0.677,438 0.022,439 41.5,440 1.339,441 21,442 0.677,443 20.5,444 0.661,445 24.27,446 0.783,447 0.587,448 31.823,449 1.027,450 8.22,451 0.265,452 6.86,453 0.221,454 0.073,456 0.302,458 0.954,459 1.333,460 0.838,461 1.033,462 0.837,463 0.929,464 0.756,465 1.128,466 0.922,467 1.091,468 0.586,469 1.04,470 1.135,471 1.243,472 1.029,473 1.093,474 0.988,475 1.053,476 0.822,477 0.945,478 1.031,479 1,480 0.814,481 1.044,482 7.796}
{0 CHEMBL518350,1 1.024,2 77.312,3 25.136,4 1.127,5 2.559,7 0.801,8 2,9 322.273,10 3,11 9,12 11,13 6.47,14 61.447,15 34.18,16 0.543,18 4.227,19 0.726,20 61.177,21 1.479,22 1.479,23 0.318,24 38.021,25 5,26 9,27 3.062,28 467.56,29 1.081,30 1.26,31 2.303,32 30.69,33 7.483,34 0.709,35 4.672,36 4.911,37 1.666,38 1.664,39 0.994,40 4.2,41 5.692,42 16.774,43 11.467,44 5.444,45 6.444,46 4.2,47 5.973,48 4.632,49 2.706,50 0.886,51 14.513,52 0.141,53 0.207,54 0.097,55 10.654,56 12.483,57 4.83,58 2.892,59 4.147,60 4.743,61 2.623,62 10.4,63 4.798,64 1470,65 3.323,66 2.217,67 0.605,68 30.905,69 1.718,70 22017.5,71 150.144,72 30.942,73 28.045,74 3.788,75 2.043,76 16.835,77 117.234,78 32.406,79 0.303,80 2.035,81 -0.147,82 1.511,83 2.474,84 39847,85 0.039,86 1.777,87 4.281,88 18.324,89 9.007,90 0.581,91 3.978,92 4.093,93 3.683,94 3.54,95 5.202,96 3.53,97 4.445,98 4.596,99 4.058,100 3.914,101 3.873,102 4.709,103 4.889,104 4.021,105 5.953,106 3.961,107 4.961,108 3.948,109 3.855,110 3.807,111 3.848,112 5.703,113 3.751,114 4.575,115 4.787,116 3.854,117 3.792,118 5.745,119 3.729,120 4.546,121 4.753,122 3.867,123 3.809,124 5.738,125 3.757,126 4.574,127 4.779,128 3.937,129 3.783,130 5.834,131 3.731,132 0.136,133 7.283,134 3.783,135 17.249,136 4.463,137 1.076,138 13.856,139 6.57,140 33.269,141 8.166,142 0.512,143 25.526,144 8.901,145 10.969,146 1.286,147 31.399,148 8.876,149 11.291,150 1.184,151 8.202,152 10.619,153 0.583,154 1.095,155 25.412,156 7.145,157 63.511,158 9.03,159 0.45,160 1.098,161 21.373,162 6.973,163 51.926,164 8.799,165 0.538,166 21.632,167 6.914,168 66.06,169 8.701,170 27,171 42,172 0.301,173 0.673,174 0.796,175 0.851,176 0.861,177 0.861,178 3.407,179 0.924,180 -4.48,181 -4.41,182 -4.15,184 41.7,186 1,189 2,192 7,193 3,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 3,214 1,215 4,216 4,217 1,222 7,223 5,225 2,226 3,227 2,228 4,229 2,230 6,231 1,232 6,235 4,239 2,240 2,242 8,244 1,245 1,246 5,247 1,248 3,249 1,251 5,253 1,254 5,255 2,257 2,259 9,263 7,265 3,267 3,270 3,272 2,274 3,276 3,277 2,278 19.275,279 19.275,280 19.275,281 19.275,282 19.275,283 19.749,284 15.269,285 15.269,286 15.269,287 15.269,288 15.269,289 11.566,290 16.185,291 3.807,292 1.608,293 0.883,294 0.557,295 0.5,296 0.5,297 4.088,298 2,300 1,301 761,302 3.464,305 1.95,308 1,309 1,310 1,311 0.6,313 1,314 1,315 0.8,316 63.167,317 362,318 4.366,319 3.54,320 6.424,321 3.973,322 3.004,323 4.057,324 0.98,325 9.846,326 2.919,327 4.36,328 3.402,329 6.31,330 3.9,331 2.982,332 4.006,333 0.657,334 9.299,335 2.709,336 3.893,337 2.875,338 5.364,339 3.508,340 2.513,341 3.443,342 0.4,343 6.976,344 2.5,345 3.703,346 5.335,347 2.386,348 3.043,350 6.901,351 3.53,352 5.253,353 3.18,354 2.215,355 2.841,357 6.567,358 2.101,359 3.232,360 4.879,361 2.825,362 1.879,363 2.481,365 5.225,366 1.774,367 3.2,368 2.707,369 1.869,370 2.359,372 5.066,373 1.47,374 2.908,375 1.668,376 3.725,377 2.069,378 3.14,379 1.441,380 2.68,381 1.48,382 3.623,383 2.202,384 1.25,385 1.701,386 2.844,387 1.184,388 2.5,389 1.444,390 3.521,391 2.028,392 1.058,393 1.5,394 2.465,395 1.019,396 2.27,397 1.24,398 3.247,399 2,400 1,401 1.238,402 2.136,403 1,404 1.849,405 1,406 3.122,407 1.55,408 0.614,409 0.733,410 1.441,411 0.573,412 1.637,413 0.806,414 3.05,415 1.295,416 0.476,417 0.527,418 1.1,419 0.347,420 1.222,421 0.373,422 2.653,423 0.883,424 -0.017,425 -0.019,426 -0.04,427 -0.014,428 1,429 0.173,430 2.537,431 -0.337,432 -0.403,433 -0.839,434 -0.229,435 14.095,436 0.486,437 0.736,438 0.025,439 39.75,440 1.371,441 21,442 0.724,443 18.75,444 0.647,445 22.57,446 0.778,447 0.644,448 30.053,449 1.036,450 8.025,451 0.277,452 5.911,453 0.204,454 0.177,456 0.319,458 0.86,459 1.205,460 0.586,461 0.799,462 0.811,463 0.78,464 0.614,465 1.007,466 0.649,467 0.896,468 0.528,469 0.92,470 0.851,471 1.328,472 0.87,473 1.138,474 0.81,475 1.064,476 0.829,477 0.974,478 0.878,479 0.95,480 0.808,481 1.047,482 7.215}
{0 CHEMBL519249,1 0.76,2 139.642,3 34.958,4 1.151,5 2.643,6 40.855,7 0.757,8 3,9 480.938,10 5,11 3,12 3,13 8.199,14 147.748,15 56.106,16 1.176,17 3,18 49.107,19 1.148,20 123.87,21 1.819,22 1.819,23 0.274,24 55.675,25 6,26 11,27 -1.864,28 732.718,29 1.623,30 2.056,31 2.462,32 31.184,33 7.999,34 1.047,35 4.907,36 5.153,37 1.831,38 1.831,39 0.762,40 4.23,41 5.94,42 19.636,43 12.991,44 6.17,45 7.222,46 5.6,47 6.303,48 4.742,49 2.885,50 1.153,51 14.687,52 0.122,53 0.179,54 0.084,55 12.338,56 13.424,57 5.015,58 2.899,59 4.156,60 4.916,61 2.752,62 11.1,63 4.971,64 2083,65 3.486,66 2.387,67 1.164,68 36.676,69 1.752,70 31886.6,71 177.335,72 38.253,73 31.088,74 3.899,75 2.068,76 17.446,77 119.007,78 35.449,79 0.609,80 2.056,81 -0.059,82 1.529,83 2.764,84 56632,85 0.098,86 1.818,87 3.522,88 12.407,89 8.491,90 0.5,91 4.121,92 4.242,93 3.774,94 3.59,95 5.368,96 3.623,97 4.641,98 4.803,99 4.142,100 3.956,101 3.978,102 4.895,103 5.09,104 4.078,105 6.244,106 4.082,107 5.135,108 4.048,109 4.016,110 4.019,111 4.007,112 6.179,113 3.954,114 4.782,115 5.017,116 3.958,117 3.917,118 5.966,119 3.882,120 4.66,121 4.869,122 4.03,123 3.839,124 5.979,125 3.85,126 4.668,127 4.861,128 4.1,129 3.803,130 6.225,131 3.842,132 0.235,133 8.729,134 4.439,135 25.785,136 5.068,137 1.61,138 18.031,139 7.462,140 54.166,141 8.676,142 1.055,143 26.788,144 9.21,145 11.089,146 1.972,147 28.461,148 9.793,149 12.498,150 1.776,151 9.584,152 12.93,153 0.865,154 1.483,155 26.6,156 8.29,157 95.781,158 11.241,159 0.72,160 1.514,161 21.671,162 7.256,163 70.87,164 9.363,165 0.881,166 21.075,167 6.839,168 110.481,169 8.462,170 27,171 50,172 0.3,173 0.662,174 0.789,175 0.839,176 0.851,177 0.851,178 3.531,179 0.845,180 -4.05,181 -4,182 -3.79,184 40.7,189 5,192 6,193 2,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 5,214 1,215 4,216 5,217 1,218 1,219 2,222 3,223 3,225 2,226 5,227 2,228 4,229 2,230 1,231 1,232 1,235 7,237 1,239 1,240 1,242 4,244 1,245 1,246 4,247 1,248 2,249 1,250 2,251 3,254 4,255 3,257 1,259 2,261 1,263 2,265 2,267 2,270 5,272 1,274 4,276 4,277 3,278 22.085,279 22.085,280 22.085,281 22.085,282 22.085,283 22.723,284 17.75,285 17.75,286 17.75,287 17.75,288 17.75,289 14.054,290 18.857,291 3.937,292 1.739,293 0.968,294 0.667,295 0.593,296 0.593,297 4.226,300 1,301 951,302 3.317,305 2.169,308 1,309 0.83,310 1,311 0.8,312 0.5,313 1,314 1,315 0.88,316 75.5,317 443,318 4.392,319 3.541,320 6.43,321 3.994,322 3.033,323 4.07,324 0.98,325 9.863,326 2.926,327 4.349,328 3.448,329 6.364,330 3.93,331 2.973,332 4.006,333 0.86,334 9.555,335 2.828,336 4.144,337 3.127,338 6.143,339 3.818,340 2.87,341 3.694,342 0.8,343 9.057,344 2.726,345 3.8,346 5.562,347 2.544,348 3.112,349 0.657,350 7.598,351 3.523,352 5.114,353 3.122,354 2.165,355 2.811,356 0.4,357 6.15,358 2.059,359 3.448,360 5.054,361 3.032,362 2.104,363 2.765,365 5.876,366 1.945,367 3.326,368 2.949,369 2.023,370 2.567,372 5.692,373 1.836,374 3.139,375 2.313,376 4.758,377 2.302,378 4.977,379 1.708,380 2.949,381 2.069,382 4.427,383 2.658,384 1.727,385 2.008,386 4.442,387 1.599,388 2.662,389 1.761,390 3.71,391 2.142,392 1.19,393 1.67,394 2.773,395 1.124,396 2.5,397 1.521,398 3.504,399 2.03,400 1.124,401 1.5,402 2.675,403 1.004,404 2.257,405 1.444,406 3.426,407 2,408 1,409 1.242,410 2.275,411 1,412 2,413 1.256,414 3.414,415 1.952,416 1,417 1,418 2.136,419 0.946,420 1.977,421 1,422 3.247,423 1.695,424 0.799,425 0.907,426 1.922,427 0.705,428 1.526,429 0.768,430 2.971,431 0.304,432 0.351,433 0.714,434 0.254,435 14.924,436 0.452,437 0.856,438 0.026,439 43.5,440 1.318,441 21,442 0.636,443 22.5,444 0.682,445 26.105,446 0.791,447 0.679,448 37.22,449 1.128,450 9.078,451 0.275,452 6.824,453 0.207,454 0.107,456 0.362,458 0.695,459 1.12,460 0.667,461 1.079,462 0.578,463 0.907,464 0.798,465 0.987,466 0.796,467 1.004,468 0.566,469 0.93,470 0.969,471 1.107,472 0.976,473 1.051,474 0.836,475 1.022,476 0.716,477 0.926,478 0.987,479 1.095,480 0.753,481 1.137,482 8.745}
{0 CHEMBL519410,1 0.858,2 135.616,3 33.032,4 1.145,5 2.592,6 27.838,7 0.809,8 2,9 462.945,10 4,11 4,12 5,13 8.191,14 83.971,15 46.609,16 0.722,17 2,18 34.147,19 1.125,20 68.409,21 1.76,22 1.76,23 0.282,24 52.394,25 6,26 10,27 0.521,28 638.607,29 1.542,30 1.844,31 2.324,32 30.563,33 7.815,34 0.976,35 4.885,36 5.139,37 1.831,38 1.831,39 0.781,40 4.168,41 5.875,42 19.213,43 12.822,44 6.063,45 7.056,46 3.7,47 6.309,48 4.582,49 2.879,50 1.153,51 14.687,52 0.125,53 0.184,54 0.086,55 11.901,56 13.281,57 4.971,58 2.895,59 4.117,60 4.916,61 2.604,62 11.1,63 4.777,64 1868,65 3.485,66 2.387,67 1.101,68 35.162,69 1.744,70 28972,71 170.204,72 36.898,73 30.314,74 3.864,75 2.068,76 17.146,77 118.791,78 35.066,79 0.5,80 2.056,81 -0.064,82 1.524,83 2.684,84 48035,85 0.093,86 1.76,87 3.317,88 11.001,89 8.157,90 0.514,91 4.113,92 4.237,93 3.739,94 3.592,95 5.321,96 3.613,97 4.631,98 4.797,99 4.093,100 3.959,101 3.964,102 4.878,103 5.079,104 4.08,105 6.068,106 4.068,107 5.136,108 4.049,109 4.004,110 3.929,111 4.009,112 5.947,113 3.939,114 4.774,115 5.013,116 3.958,117 3.918,118 5.957,119 3.875,120 4.654,121 4.865,122 3.994,123 3.84,124 5.9,125 3.845,126 4.667,127 4.861,128 4.073,129 3.807,130 6.334,131 3.819,132 0.166,133 9.532,134 4.411,135 18.326,136 5.344,137 1.498,138 18.974,139 7.415,140 43.96,141 9.103,142 0.699,143 27.143,144 9.144,145 11.651,146 1.959,147 29.672,148 9.777,149 12.641,150 1.583,151 9.548,152 13.357,153 0.726,154 1.469,155 26.662,156 8.252,157 76.963,158 11.678,159 0.53,160 1.477,161 22.118,162 7.282,163 51.325,164 9.379,165 1.023,166 22.279,167 6.76,168 144.283,169 9.051,170 18,171 48,172 0.29,173 0.653,174 0.773,175 0.814,176 0.827,177 0.827,178 3.502,179 0.861,180 -3.94,181 -3.9,182 -3.7,184 40.7,189 5,192 7,193 2,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 5,214 1,215 4,216 5,217 1,218 1,219 2,222 2,223 3,225 2,226 5,227 2,228 4,229 2,230 3,231 1,232 1,235 6,237 1,239 1,242 6,244 1,245 1,246 4,247 1,248 4,249 1,250 2,251 1,254 2,255 3,259 6,261 1,263 6,265 2,267 4,270 5,272 1,274 4,276 2,277 3,278 21.637,279 21.637,280 21.637,281 21.637,282 21.637,283 22.221,284 17.26,285 17.26,286 17.26,287 17.26,288 17.26,289 13.642,290 18.253,291 3.995,292 1.794,293 1.068,294 0.815,295 0.741,296 0.741,297 4.199,300 1,301 916,302 3.24,305 2.094,308 1,309 1,310 1,311 0.8,312 0.5,313 1,314 1,315 0.9,316 72,317 425,318 4.379,319 3.541,320 6.436,321 3.991,322 3.026,323 4.023,324 0.98,325 9.875,326 2.927,327 4.312,328 3.376,329 6.378,330 3.901,331 2.94,332 3.973,333 0.86,334 9.607,335 2.815,336 4.144,337 3.127,338 6.143,339 3.818,340 2.869,341 3.694,342 0.8,343 9.057,344 2.726,345 3.8,346 5.562,347 2.543,348 3.112,349 0.657,350 7.598,351 3.522,352 5.099,353 3.117,354 2.161,355 2.811,356 0.4,357 6.144,358 2.052,359 3.232,360 4.841,361 2.834,362 1.889,363 2.481,365 5.104,366 1.773,367 3.188,368 2.787,369 1.879,370 2.348,372 5.075,373 1.678,374 2.954,375 2.098,376 4.427,377 2.071,378 4.446,379 1.623,380 2.903,381 1.835,382 4.039,383 2.47,384 1.478,385 2.006,386 3.553,387 1.463,388 2.661,389 1.52,390 3.703,391 2.14,392 1.189,393 1.67,394 2.767,395 1.123,396 2.5,397 1.439,398 3.504,399 2.03,400 1.123,401 1.5,402 2.674,403 1.004,404 2.257,405 1.256,406 3.414,407 2,408 1,409 1.242,410 2.275,411 1,412 2.01,413 1.23,414 3.274,415 1.952,416 1,417 1,418 2.136,419 0.946,420 2,421 1,422 3.247,423 1.725,424 0.806,425 0.938,426 1.83,427 0.733,428 1.447,429 0.599,430 2.971,431 0.162,432 0.197,433 0.422,434 0.151,435 14.638,436 0.457,437 0.75,438 0.023,439 42.75,440 1.336,441 21,442 0.656,443 21.75,444 0.68,445 24.722,446 0.773,447 0.651,448 35.307,449 1.103,450 8.875,451 0.277,452 6.633,453 0.207,454 0.089,456 0.335,458 0.727,459 1.175,460 0.703,461 1.08,462 0.595,463 0.916,464 0.831,465 1,466 0.839,467 1.003,468 0.564,469 0.944,470 1.053,471 1.199,472 0.979,473 1.056,474 0.921,475 1.006,476 0.856,477 0.971,478 1.09,479 1.095,480 0.956,481 1.154,482 8.658}
{0 CHEMBL520234,1 0.927,2 75.109,3 35.6,4 1.137,5 2.562,7 0.834,9 478.791,10 3,11 6,12 6,13 7.437,14 100.653,15 41.019,16 0.844,18 4.227,19 0.743,20 49.635,21 1.743,22 1.743,23 0.274,24 57.162,25 7,26 11,27 2.807,28 581.501,29 1.3,30 1.612,31 2.317,32 33.741,33 8.002,34 0.89,35 4.982,36 5.225,37 1.833,38 1.833,39 0.924,40 4.159,41 5.947,42 19.721,43 13.344,44 6.311,45 7.306,47 6.179,48 4.697,49 2.907,50 1.164,51 16.008,52 0.122,53 0.179,54 0.084,55 12.176,56 13.424,57 5.015,58 2.893,59 4.136,60 4.955,61 2.785,62 12.5,63 4.741,64 2091,65 3.486,66 2.387,67 1.568,68 35.867,69 1.752,70 31926.8,71 177.365,72 38.639,73 31.098,74 3.899,75 2.102,76 17.731,77 125.683,78 36.223,79 0.55,80 2.073,81 -0.043,82 1.523,83 2.674,84 51022,85 0.032,86 1.704,87 2.8,88 7.841,89 8.027,90 0.5,91 4.15,92 4.273,93 3.767,94 3.617,95 5.359,96 3.635,97 4.658,98 4.819,99 4.103,100 3.993,101 3.99,102 4.894,103 5.094,104 4.13,105 6.007,106 4.101,107 5.17,108 4.121,109 4.07,110 4.013,111 4.071,112 6.121,113 4.007,114 4.823,115 5.057,116 3.938,117 3.961,118 5.938,119 3.91,120 4.685,121 4.893,122 3.994,123 3.894,124 5.905,125 3.881,126 4.698,127 4.888,128 4.048,129 3.887,130 6.021,131 3.891,132 0.219,133 10.295,134 4.304,135 15.514,136 5.586,137 1.349,138 19.793,139 7.349,140 67.118,141 9.563,142 0.582,143 27.226,144 8.936,145 12.505,146 1.644,147 29.687,148 9.749,149 13.709,150 1.557,151 9.815,152 14.191,153 0.691,154 1.376,155 28.173,156 8.472,157 79.255,158 12.075,159 0.548,160 1.284,161 22.724,162 7.053,163 54.106,164 9.991,165 0.517,166 21.945,167 6.953,168 41.053,169 9.614,170 21,171 49,172 0.277,173 0.635,174 0.76,175 0.818,176 0.846,177 0.846,178 3.531,179 0.862,180 -3.63,181 -3.6,182 -3.43,184 39.3,189 5,192 8,193 2,194 1,196 1,197 1,201 1,204 1,205 1,206 1,207 2,211 2,212 7,214 1,215 4,216 5,217 1,218 1,219 8,222 3,223 4,225 2,226 10,227 2,228 5,229 2,230 3,231 1,232 1,235 9,237 3,239 1,240 1,241 1,242 7,244 1,245 1,246 4,247 1,248 4,249 1,250 4,251 5,254 4,255 3,257 1,258 2,259 6,260 1,261 3,263 6,265 2,267 4,269 4,270 5,271 2,272 5,274 4,276 4,277 3,278 22.344,279 22.344,280 22.344,281 22.344,282 22.344,283 22.879,284 17.777,285 17.777,286 17.777,287 17.777,288 17.777,289 13.835,290 18.631,291 4.104,292 1.902,293 1.136,294 0.779,295 0.607,296 0.607,297 4.228,300 1,301 951,302 3.606,305 2.169,308 0.75,309 0.83,310 0.83,311 0.7,313 0.67,314 0.5,315 0.61,316 73.5,317 443,318 4.397,319 3.806,320 6.435,321 3.991,322 3.022,323 4.096,324 2.612,325 9.878,326 2.934,327 4.353,328 3.54,329 6.393,330 3.919,331 2.942,332 4.008,333 0.98,334 9.71,335 2.875,336 4.144,337 3.127,338 6.143,339 3.818,340 2.869,341 3.694,342 0.86,343 9.057,344 2.726,345 3.8,346 5.562,347 2.544,348 3.113,349 0.8,350 7.598,351 3.562,352 5.103,353 3.12,354 2.163,355 2.973,356 0.657,357 6.146,358 2.059,359 3.519,360 4.93,361 2.992,362 2.025,363 2.811,364 0.4,365 5.433,366 1.954,367 3.179,368 2.787,369 1.832,370 2.343,372 4.894,373 1.739,374 2.954,375 2.071,376 4.427,377 2.069,378 4.44,379 1.616,380 2.902,381 1.71,382 3.76,383 2.464,384 1.47,385 2.006,386 3.203,387 1.459,388 2.66,389 1.519,390 3.694,391 2.136,392 1.187,393 1.669,394 2.766,395 1.119,396 2.609,397 1.439,398 3.504,399 2.03,400 1.123,401 1.596,402 2.674,403 1.004,404 2.5,405 1.325,406 3.466,407 2,408 1,409 1.5,410 2.305,411 1,412 2.257,413 1.256,414 3.414,415 2,416 1,417 1.242,418 2.275,419 1,420 2,421 1,422 3.247,423 1.952,424 1,425 1,426 2.136,427 0.946,428 1.878,429 1,430 3.187,431 0.629,432 0.758,433 1.481,434 0.589,435 15.133,436 0.459,437 0.75,438 0.023,439 46.5,440 1.409,441 24,442 0.727,443 22.5,444 0.682,445 24.135,446 0.731,447 0.64,448 38.419,449 1.164,450 9.479,451 0.287,452 6.529,453 0.198,454 0.093,456 0.317,458 0.677,459 1.364,460 0.723,461 1.064,462 0.59,463 0.92,464 0.809,465 1.088,466 0.868,467 1.012,468 0.442,469 0.963,470 0.929,471 1.262,472 0.962,473 1.079,474 0.667,475 1.03,476 0.749,477 1.057,478 1.021,479 1.152,480 0.774,481 1.147,482 7.42}
{0 CHEMBL520539,1 1.019,2 65.495,3 37.486,4 1.136,5 2.588,7 0.888,9 495.124,10 3,11 6,12 6,13 7.429,14 60.758,15 34.884,16 0.482,18 4.227,19 0.605,20 57.411,21 1.757,22 1.757,23 0.266,24 61.108,25 7,26 10,27 4.236,28 540.453,29 1.451,30 1.724,31 2.321,32 35.603,33 8.229,34 0.954,35 5.052,36 5.302,37 1.831,38 1.832,39 0.984,40 4.159,41 5.894,42 20.473,43 13.843,44 6.597,45 7.528,47 6.118,48 4.579,49 3.002,50 1.165,51 16.491,52 0.118,53 0.174,54 0.081,55 12.539,56 13.971,57 5.057,58 2.894,59 4.137,60 5.005,61 2.862,62 11.5,63 4.717,64 2336,65 3.486,66 2.387,67 1.603,68 37,69 1.76,70 35234.1,71 184.72,72 41.336,73 31.909,74 3.949,75 2.069,76 18.875,77 131.44,78 38.562,79 0.438,80 2.058,81 -0.086,82 1.508,83 2.684,84 49940,85 0.068,86 1.622,87 2.026,88 4.105,89 7.567,90 0.486,91 4.216,92 4.347,93 3.784,94 3.692,95 5.361,96 3.695,97 4.731,98 4.909,99 4.121,100 4.057,101 4.037,102 4.967,103 5.173,104 4.196,105 6.042,106 4.15,107 5.233,108 4.215,109 4.134,110 4.078,111 4.209,112 6.065,113 4.122,114 4.992,115 5.233,116 4.027,117 4.124,118 6.077,119 4.044,120 4.869,121 5.114,122 3.993,123 4.026,124 5.927,125 3.971,126 4.794,127 5.007,128 4.059,129 3.999,130 6.024,131 3.964,132 0.094,133 12.326,134 4.801,135 12.921,136 6.556,137 1.449,138 23.222,139 8.082,140 42.9,141 11.197,142 0.548,143 31.196,144 9.57,145 13.829,146 1.782,147 32.501,148 10.879,149 15.965,150 1.759,151 11.332,152 16.926,153 0.639,154 1.623,155 33.935,156 10.49,157 77.762,158 15.372,159 0.491,160 1.489,161 29.81,162 8.804,163 52.172,164 13.17,165 0.483,166 26.086,167 8.084,168 52.522,169 11.956,170 22,171 50,172 0.26,173 0.618,174 0.772,175 0.83,176 0.855,177 0.855,178 3.56,179 0.888,180 -3.02,181 -3.02,182 -2.91,184 39.3,185 1,189 5,192 8,193 2,194 1,196 1,197 1,201 2,204 1,205 1,206 1,211 1,212 6,214 1,215 5,216 8,217 1,218 1,219 2,222 5,223 4,225 2,226 7,227 2,228 4,229 3,230 4,231 1,232 3,235 9,237 1,239 1,240 3,242 7,244 3,245 1,246 6,247 1,248 5,249 1,250 2,251 3,254 4,255 3,257 1,258 1,259 8,261 3,262 2,263 6,264 1,265 3,267 4,270 5,272 1,274 4,276 4,277 3,278 22.999,279 22.999,280 22.999,281 22.999,282 22.999,283 23.499,284 18.303,285 18.303,286 18.303,287 18.303,288 18.303,289 14.482,290 19.113,291 4.309,292 2.082,293 1.121,294 0.76,295 0.603,296 0.603,297 4.257,301 1017,302 3.742,305 2.209,308 1,309 0.67,310 1,311 0.8,312 0.5,313 1,314 1,315 0.85,316 74.5,317 475,318 4.371,319 3.545,320 6.426,321 3.982,322 3.014,323 4.014,324 1.907,325 9.856,326 2.925,327 4.21,328 3.537,329 6.154,330 3.84,331 2.873,332 3.811,333 0.98,334 9.107,335 2.804,336 4.144,337 3.127,338 6.143,339 3.817,340 2.854,341 3.694,342 0.86,343 9.057,344 2.726,345 3.8,346 5.562,347 2.543,348 3.112,349 0.8,350 7.598,351 3.523,352 5.1,353 3.157,354 2.166,355 2.811,356 0.657,357 6.145,358 2.156,359 3.498,360 4.815,361 3.112,362 2.134,363 2.681,364 0.4,365 5.412,366 2.05,367 3.186,368 2.827,369 1.875,370 2.346,371 0.149,372 4.989,373 1.771,374 2.954,375 2.087,376 4.427,377 2.073,378 4.445,379 1.624,380 2.903,381 1.842,382 4.146,383 2.476,384 1.484,385 2.007,386 3.76,387 1.467,388 2.827,389 1.534,390 3.705,391 2.381,392 1.383,393 1.936,394 2.998,395 1.376,396 2.659,397 1.505,398 3.612,399 2.136,400 1.187,401 1.669,402 2.766,403 1.119,404 2.5,405 1.438,406 3.504,407 2.03,408 1.123,409 1.5,410 2.674,411 1.004,412 2.257,413 1.256,414 3.414,415 2,416 1,417 1.242,418 2.275,419 1,420 2,421 1,422 3.247,423 1.952,424 1,425 1,426 2.136,427 0.946,428 1.909,429 0.834,430 3.189,431 0.658,432 0.795,433 1.535,434 0.62,435 15.8,436 0.465,437 0.767,438 0.023,439 46,440 1.353,441 23,442 0.676,443 23,444 0.676,445 26.936,446 0.792,447 0.607,448 37.998,449 1.118,450 9.419,451 0.277,452 7.072,453 0.208,454 0.099,456 0.31,458 0.877,459 1.433,460 0.795,461 1.112,462 0.678,463 0.951,464 0.898,465 1.109,466 0.884,467 1.01,468 0.54,469 0.957,470 1.22,471 1.195,472 1.079,473 1.003,474 1.065,475 1.011,476 0.616,477 1.035,478 0.996,479 1.115,480 0.594,481 1.119,482 5.284}
{0 CHEMBL529443,1 0.842,2 94.28,3 33.33,4 1.145,5 2.462,6 27.38,7 0.809,8 2,9 464.776,10 4,11 5,12 4,13 8.161,14 90.331,15 45.929,16 0.79,17 2,18 34.147,19 0.877,20 95.991,21 1.728,22 1.728,23 0.282,24 53.363,25 6,26 10,27 0.375,28 638.607,29 1.498,30 1.932,31 2.313,32 30.797,33 7.875,34 0.976,35 4.889,36 5.142,37 1.831,38 1.831,39 0.794,40 4.182,41 5.869,42 19.213,43 12.808,44 6.059,45 7.056,46 3.7,47 6.157,48 4.585,49 2.885,50 1.153,51 14.687,52 0.125,53 0.184,54 0.086,55 11.897,56 13.313,57 4.97,58 2.873,59 4.069,60 4.903,61 2.643,62 11.1,63 4.756,64 1882,65 3.486,66 2.387,67 1.1,68 35.162,69 1.744,70 29166.1,71 170.417,72 37.363,73 30.353,74 3.879,75 2.068,76 17.146,77 118.791,78 35.066,79 0.5,80 2.056,81 -0.064,82 1.524,83 2.658,84 48675,85 0.059,86 1.76,87 3.317,88 11.001,89 8.157,90 0.514,91 4.113,92 4.237,93 3.739,94 3.592,95 5.321,96 3.613,97 4.631,98 4.797,99 4.093,100 3.959,101 3.964,102 4.88,103 5.08,104 4.081,105 6.176,106 4.066,107 5.127,108 4.05,109 3.997,110 3.937,111 4.009,112 5.981,113 3.94,114 4.773,115 5.012,116 3.926,117 3.918,118 5.921,119 3.872,120 4.65,121 4.863,122 3.971,123 3.841,124 5.898,125 3.835,126 4.654,127 4.853,128 4.023,129 3.807,130 6.161,131 3.817,132 0.166,133 9.532,134 4.411,135 18.326,136 5.344,137 1.498,138 18.974,139 7.415,140 45.006,141 9.103,142 0.842,143 27.322,144 9.144,145 11.785,146 1.78,147 28.976,148 9.74,149 12.845,150 1.604,151 9.546,152 13.301,153 0.707,154 1.441,155 26.695,156 8.268,157 76.338,158 11.571,159 0.562,160 1.428,161 22.071,162 7.242,163 53.448,164 9.606,165 0.768,166 21.741,167 6.786,168 98.52,169 8.946,170 18,171 48,172 0.29,173 0.653,174 0.785,175 0.839,176 0.851,177 0.851,178 3.502,179 0.861,180 -3.94,181 -3.9,182 -3.7,184 40.7,189 5,192 7,193 2,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 5,214 1,215 4,216 5,217 1,218 1,219 2,222 3,223 3,225 2,226 5,227 2,228 4,229 2,230 2,231 1,232 1,235 7,237 1,239 1,240 1,242 5,244 1,245 1,246 4,247 1,248 3,249 1,250 2,251 3,254 4,255 3,257 1,259 4,261 1,263 4,265 2,267 3,270 5,272 1,274 4,276 4,277 3,278 21.637,279 21.637,280 21.637,281 21.637,282 21.637,283 22.213,284 17.25,285 17.25,286 17.25,287 17.25,288 17.25,289 13.638,290 18.243,291 3.995,292 1.794,293 0.994,294 0.667,295 0.593,296 0.593,297 4.199,300 1,301 918,302 3.24,305 2.125,308 1,309 1,310 1,311 0.8,312 0.5,313 1,314 1,315 0.9,316 72,317 426,318 4.376,319 3.541,320 6.428,321 3.985,322 3.02,323 4.02,324 0.98,325 9.859,326 2.924,327 4.307,328 3.406,329 6.332,330 3.886,331 2.933,332 3.97,333 0.86,334 9.387,335 2.785,336 4.144,337 3.127,338 6.143,339 3.818,340 2.869,341 3.694,342 0.8,343 9.057,344 2.726,345 3.8,346 5.562,347 2.544,348 3.112,349 0.657,350 7.598,351 3.523,352 5.109,353 3.12,354 2.163,355 2.811,356 0.4,357 6.148,358 2.056,359 3.33,360 5.029,361 2.978,362 2.036,363 2.57,365 5.715,366 1.901,367 3.139,368 2.764,369 1.819,370 2.302,372 4.963,373 1.708,374 2.949,375 2.07,376 4.427,377 2.029,378 4.442,379 1.6,380 2.867,381 1.869,382 3.881,383 2.384,384 1.414,385 2.008,386 3.184,387 1.36,388 2.662,389 1.547,390 3.706,391 2.142,392 1.19,393 1.67,394 2.772,395 1.124,396 2.5,397 1.494,398 3.504,399 2.03,400 1.124,401 1.5,402 2.675,403 1.004,404 2.257,405 1.256,406 3.414,407 2,408 1,409 1.242,410 2.275,411 1,412 2,413 1.224,414 3.298,415 1.952,416 1,417 1,418 2.136,419 0.946,420 1.953,421 1,422 3.247,423 1.675,424 0.766,425 0.877,426 1.802,427 0.689,428 1.447,429 0.676,430 2.971,431 0.171,432 0.206,433 0.431,434 0.155,435 14.638,436 0.457,437 0.75,438 0.023,439 42.75,440 1.336,441 21,442 0.656,443 21.75,444 0.68,445 24.647,446 0.77,447 0.651,448 35.222,449 1.101,450 8.875,451 0.277,452 6.633,453 0.207,454 0.089,456 0.335,458 0.727,459 1.175,460 0.703,461 1.08,462 0.595,463 0.916,464 0.831,465 1,466 0.839,467 1.003,468 0.574,469 0.944,470 0.932,471 1.12,472 0.952,473 1.052,474 0.765,475 1.016,476 0.831,477 0.988,478 1.064,479 1.097,480 0.9,481 1.142,482 8.678}
{0 CHEMBL593171,1 0.774,2 154.216,3 33.607,4 1.151,5 2.603,6 41.346,7 0.757,8 3,9 479.106,10 5,11 3,12 3,13 8.199,14 142.239,15 56.851,16 1.114,17 3,18 49.107,19 1.269,20 120.802,21 1.765,22 1.765,23 0.282,24 52.701,25 6,26 11,27 -2.241,28 732.718,29 1.65,30 2.089,31 2.33,32 30.985,33 7.942,34 1.047,35 4.902,36 5.15,37 1.831,38 1.831,39 0.751,40 4.25,41 5.933,42 19.66,43 12.98,44 6.126,45 7.25,46 5.6,47 6.354,48 4.742,49 2.894,50 1.153,51 14.687,52 0.123,53 0.182,54 0.085,55 12.354,56 13.394,57 5.015,58 2.896,59 4.166,60 4.927,61 2.842,62 11.1,63 4.778,64 2068,65 3.486,66 2.387,67 1.101,68 36.676,69 1.752,70 31679.9,71 177.122,72 37.778,73 31.05,74 3.886,75 2.068,76 17.446,77 119.007,78 35.449,79 0.609,80 2.056,81 -0.058,82 1.533,83 2.691,84 55928,85 0.127,86 1.818,87 3.522,88 12.407,89 8.491,90 0.5,91 4.121,92 4.242,93 3.774,94 3.59,95 5.369,96 3.623,97 4.641,98 4.803,99 4.142,100 3.956,101 3.978,102 4.895,103 5.089,104 4.077,105 6.252,106 4.087,107 5.142,108 4.047,109 4.02,110 4.012,111 4.007,112 6.151,113 3.954,114 4.783,115 5.018,116 3.988,117 3.916,118 6.001,119 3.885,120 4.664,121 4.871,122 4.052,123 3.837,124 5.981,125 3.86,126 4.682,127 4.869,128 4.147,129 3.803,130 6.388,131 3.844,132 0.235,133 8.729,134 4.439,135 25.896,136 5.068,137 1.61,138 18.031,139 7.462,140 55.522,141 8.676,142 1.036,143 26.705,144 9.214,145 11.108,146 2.026,147 28.975,148 9.826,149 12.139,150 1.761,151 9.585,152 12.988,153 0.877,154 1.511,155 26.558,156 8.275,157 95.124,158 11.353,159 0.699,160 1.569,161 21.703,162 7.296,163 71.174,164 9.138,165 1.103,166 21.515,167 6.812,168 150.383,169 8.567,170 27,171 50,172 0.3,173 0.662,174 0.783,175 0.833,176 0.851,177 0.851,178 3.532,179 0.846,180 -4.05,181 -4,182 -3.79,184 40.7,189 5,192 6,193 2,194 1,196 1,197 1,201 1,204 1,205 1,206 1,211 1,212 5,214 1,215 4,216 5,217 1,218 1,219 2,222 2,223 3,225 2,226 5,227 2,228 4,229 2,230 2,231 1,232 1,235 6,237 1,239 1,242 5,244 1,245 1,246 4,247 1,248 3,249 1,250 2,251 1,254 2,255 3,259 4,261 1,263 4,265 2,267 3,270 5,272 1,274 4,276 2,277 3,278 22.137,279 22.137,280 22.137,281 22.137,282 22.137,283 22.764,284 17.718,285 17.718,286 17.718,287 17.718,288 17.718,289 14.025,290 18.816,291 3.937,292 1.739,293 1.005,294 0.704,295 0.593,296 0.593,297 4.226,300 1,301 949,302 3.317,305 2.14,308 1,309 0.83,310 1,311 0.8,312 0.5,313 1,314 1,315 0.88,316 75.5,317 442,318 4.436,319 3.545,320 6.56,321 4.029,322 3.076,323 4.128,324 0.98,325 10.16,326 2.937,327 4.359,328 3.503,329 6.422,330 3.956,331 2.991,332 4.008,333 0.86,334 9.834,335 2.875,336 4.144,337 3.127,338 6.143,339 3.818,340 2.87,341 3.694,342 0.8,343 9.057,344 2.726,345 3.8,346 5.562,347 2.544,348 3.112,349 0.657,350 7.598,351 3.533,352 5.438,353 3.132,354 2.204,355 2.855,356 0.4,357 6.525,358 2.058,359 3.518,360 5.099,361 3.1,362 2.158,363 2.811,365 6.142,366 1.984,367 3.192,368 2.829,369 1.888,370 2.362,372 5.078,373 1.761,374 3.04,375 2.25,376 4.496,377 2.228,378 4.457,379 1.628,380 2.948,381 2.07,382 4.427,383 2.594,384 1.642,385 2.008,386 4.348,387 1.55,388 2.662,389 1.72,390 3.712,391 2.144,392 1.191,393 1.671,394 2.775,395 1.126,396 2.5,397 1.515,398 3.504,399 2.03,400 1.124,401 1.5,402 2.675,403 1.004,404 2.257,405 1.381,406 3.451,407 2,408 1,409 1.242,410 2.275,411 1,412 2.02,413 1.256,414 3.414,415 1.952,416 1,417 1,418 2.136,419 0.946,420 2,421 1,422 3.247,423 1.752,424 0.845,425 0.959,426 2.029,427 0.756,428 1.459,429 0.863,430 2.971,431 0.213,432 0.253,433 0.456,434 0.174,435 14.924,436 0.452,437 0.839,438 0.025,439 43.5,440 1.318,441 21,442 0.636,443 22.5,444 0.682,445 26.204,446 0.794,447 0.679,448 37.33,449 1.131,450 9.094,451 0.276,452 6.825,453 0.207,454 0.107,456 0.362,458 0.695,459 1.12,460 0.667,461 1.079,462 0.578,463 0.907,464 0.798,465 0.987,466 0.796,467 1.004,468 0.575,469 0.93,470 0.956,471 1.133,472 0.935,473 1.054,474 0.82,475 1.002,476 0.845,477 0.953,478 1.076,479 1.093,480 0.92,481 1.159,482 9.155}
{0 CHEMBL593392,1 1.002,2 28.832,3 28.323,4 1.124,5 2.143,7 0.951,9 364.141,10 2,11 9,12 8,13 4.767,14 29.828,15 14.791,16 0.207,18 13.67,19 0.266,20 28.021,21 1.437,22 1.437,23 0.315,24 45.919,25 5,26 6,27 4.038,28 404.649,29 1.055,30 1.561,31 1.925,32 26.851,33 7.49,34 0.803,35 4.784,36 5.039,37 1.824,38 1.828,39 0.966,40 3.978,41 5.611,42 17.798,43 12.317,44 5.94,45 6.333,47 5.699,48 3.853,49 2.643,50 1.115,51 14.348,52 0.138,53 0.199,54 0.094,55 10.689,56 13.034,57 4.827,58 2.831,59 3.848,60 4.839,61 2.341,62 9.6,63 4.432,64 1406,65 3.449,66 2.371,67 1.086,68 29.967,69 1.715,70 21696.4,71 149.742,72 32.323,73 28.061,74 3.823,75 2.073,76 16.161,77 115.206,78 33.563,79 0.283,80 2.061,81 0.005,82 1.49,83 2.424,84 29602,85 -0.112,86 1.476,87 4.115,88 16.93,89 7.414,90 0.667,91 4.067,92 4.19,93 3.654,94 3.612,95 5.115,96 3.598,97 4.605,98 4.779,99 3.99,100 4,101 3.965,102 4.827,103 5.044,104 4.112,105 5.741,106 4.032,107 5.088,108 4.077,109 3.962,110 3.826,111 4.018,112 5.664,113 3.91,114 4.705,115 4.951,116 3.748,117 3.934,118 5.613,119 3.839,120 4.54,121 4.778,122 3.652,123 3.799,124 5.451,125 3.71,126 4.432,127 4.663,128 3.538,129 3.697,130 5.359,131 3.605,132 0.025,133 10.634,134 4.428,135 7.603,136 5.94,137 1.317,138 20.394,139 7.326,140 22.588,141 9.844,142 0.291,143 26.904,144 9.368,145 13.284,146 1.553,147 28.011,148 9.99,149 14.518,150 1.434,151 9.831,152 14.26,153 0.243,154 1.329,155 24.806,156 8.46,157 30.289,158 12.141,159 0.229,160 1.149,161 20.712,162 7.315,163 23.118,164 10.427,165 0.199,166 18.188,167 6.163,168 21.006,169 9.017,171 45,172 0.243,173 0.567,174 0.718,175 0.798,176 0.819,177 0.819,178 3.408,179 0.901,180 -4.78,181 -4.69,182 -4.41,184 44.2,189 5,192 10,193 2,194 1,197 1,198 1,203 1,211 2,212 7,215 2,216 2,218 1,219 6,222 2,223 5,225 1,226 7,228 1,230 1,232 2,235 9,237 1,239 1,240 4,242 7,246 1,248 6,250 2,251 5,254 2,255 6,259 2,261 1,263 2,265 4,269 1,270 2,274 1,276 6,278 20.378,279 20.378,280 20.378,281 20.378,282 20.378,283 20.92,284 16.369,285 16.369,286 16.369,287 16.369,288 16.369,289 12.554,290 17.258,291 4.225,292 2.259,293 1.346,294 0.861,295 0.731,296 0.731,297 4.126,300 1,301 851,302 2.449,303 69.176,304 121.937,305 2.04,308 1,309 1,310 1,311 0.8,312 0.5,313 1,314 1,315 0.9,316 61.5,317 378,318 4.558,319 3.183,320 6.556,321 4.05,322 3.106,323 4.507,324 0.86,325 10.405,326 2.936,327 4.149,328 3.124,329 6.143,330 3.82,331 2.873,332 3.703,333 0.8,334 9.057,335 2.726,336 3.915,337 2.8,338 5.564,339 3.538,340 2.586,341 3.457,342 0.522,343 7.638,344 2.501,345 3.795,346 5.431,347 2.476,348 3.166,349 0.4,350 7.181,351 3.505,352 5.031,353 3.066,354 2.132,355 2.832,357 6.03,358 1.981,359 3.298,360 4.96,361 2.833,362 1.878,363 2.632,365 5.571,366 1.789,367 2.955,368 2.691,369 1.763,370 2.057,372 4.462,373 1.63,374 2.888,375 1.525,376 4.124,377 2.011,378 3.455,379 1.417,380 2.689,381 1.505,382 3.587,383 2.165,384 1.223,385 1.777,386 2.977,387 1.149,388 2.5,389 1.256,390 3.505,391 2.036,392 1.149,393 1.5,394 2.7,395 1.009,396 2.5,397 1.235,398 3.414,399 2,400 1,401 1.5,402 2.275,403 1,404 2.265,405 1,406 3.271,407 2,408 1,409 1.249,410 2.136,411 1,412 2.171,413 1,414 3.247,415 1.952,416 1,417 1.038,418 2.136,419 0.946,420 2,421 0.794,422 3.247,423 1.683,424 0.737,425 1,426 1.759,427 0.695,428 1.419,429 0.326,430 2.96,431 0.147,432 0.179,433 0.385,434 0.137,435 13.833,436 0.477,437 0.496,438 0.017,439 41,440 1.414,441 21,442 0.724,443 20,444 0.69,445 20.488,446 0.706,447 0.576,448 28.61,449 0.987,450 8.208,451 0.283,452 6.14,453 0.212,456 0.275,458 0.939,459 1.418,460 0.77,461 1.095,462 0.832,463 0.941,464 1.35,465 1.02,466 0.994,467 0.929,468 1.041,469 0.926,470 1.18,471 1.18,472 1.071,473 1.037,474 1.042,475 1.04,476 0.794,477 1.019,478 1.032,479 1.031,480 0.937,481 1.046,482 6.398}
{0 CHEMBL594344,1 0.852,2 79.583,3 33.038,4 1.14,5 2.477,6 27.066,7 0.867,8 2,9 394.14,10 4,11 5,12 5,13 8.191,14 62.057,15 32.458,16 0.578,17 2,18 43.59,19 0.601,20 48.444,21 1.776,22 1.776,23 0.297,24 53.339,25 6,26 8,27 1.906,28 563.468,29 1.288,30 1.888,31 2.203,32 28.236,33 7.825,34 0.99,35 4.823,36 5.069,37 1.847,38 1.852,39 0.902,40 4.092,41 5.774,42 18.643,43 12.613,44 6.088,45 6.667,46 3.8,47 6.02,48 4.336,49 2.759,50 1.118,51 14.348,52 0.13,53 0.187,54 0.089,55 11.5,56 13.29,57 4.924,58 2.866,59 4.013,60 4.899,61 2.592,62 11.3,63 4.759,64 1670,65 3.483,66 2.381,67 1.088,68 32.929,69 1.733,70 26579.3,71 163.589,72 35.979,73 29.607,74 3.882,75 2.077,76 16.854,77 117.32,78 34.636,79 0.306,80 2.067,81 -0.028,82 1.516,83 2.727,84 41262,85 -0.073,86 1.583,87 4.259,88 18.142,89 7.934,90 0.629,91 4.097,92 4.226,93 3.723,94 3.624,95 5.225,96 3.626,97 4.634,98 4.814,99 4.092,100 4.02,101 4.006,102 4.894,103 5.117,104 4.134,105 5.951,106 4.08,107 5.147,108 4.088,109 4.007,110 3.91,111 4.026,112 5.868,113 3.94,114 4.734,115 4.98,116 3.876,117 3.953,118 5.763,119 3.885,120 4.616,121 4.848,122 3.877,123 3.821,124 5.827,125 3.782,126 4.496,127 4.722,128 3.703,129 3.709,130 5.616,131 3.663,132 0.071,133 9.714,134 4.41,135 8.395,136 5.577,137 1.589,138 19.154,139 7.315,140 23.449,141 9.461,142 0.461,143 28.238,144 9.823,145 12.946,146 1.88,147 29.925,148 10.377,149 14.419,150 1.654,151 9.879,152 13.426,153 0.342,154 1.519,155 24.924,156 8.475,157 36.178,158 11.868,159 0.47,160 1.502,161 22.239,162 7.62,163 50.411,164 10.072,165 0.314,166 19.115,167 6.518,168 34.334,169 8.537,170 5,171 49,172 0.26,173 0.605,174 0.73,175 0.811,176 0.823,177 0.823,178 3.472,179 0.877,180 -5.26,181 -5.15,182 -4.81,184 43.4,189 5,192 8,193 2,194 1,197 1,198 1,203 1,211 2,212 7,215 2,216 2,219 6,221 1,222 2,223 3,225 1,226 5,228 1,230 1,232 2,235 7,237 1,239 3,240 4,242 3,246 3,248 2,250 2,251 5,254 2,255 6,262 1,265 4,269 1,270 2,274 1,276 6,278 21.273,279 21.273,280 21.273,281 21.273,282 21.273,283 21.858,284 17.352,285 17.352,286 17.352,287 17.352,288 17.352,289 13.381,290 18.36,291 4.145,292 2.046,293 1.283,294 0.792,295 0.717,296 0.717,297 4.185,300 1,301 917,302 2.646,303 74.281,304 131.625,305 2.189,308 1,309 1,310 1,311 0.8,312 0.5,313 1,314 1,315 0.9,316 68,317 412,318 4.559,319 3.222,320 6.556,321 4.053,322 3.109,323 4.508,324 0.8,325 10.407,326 2.939,327 4.162,328 3.117,329 6.143,330 3.822,331 2.873,332 3.81,333 0.522,334 9.057,335 2.729,336 4.144,337 3.082,338 5.69,339 3.721,340 2.759,341 3.703,342 0.4,343 8.002,344 2.651,345 3.813,346 5.546,347 2.549,348 3.178,349 0.4,350 7.576,351 3.537,352 5.177,353 3.13,354 2.192,355 2.856,357 6.322,358 2.045,359 3.391,360 4.997,361 2.988,362 2.035,363 2.705,365 5.914,366 1.927,367 3.232,368 2.787,369 1.879,370 2.481,372 5.131,373 1.685,374 3.16,375 1.973,376 4.618,377 2.43,378 4.963,379 1.678,380 2.955,381 1.829,382 4.432,383 2.678,384 1.722,385 2.012,386 4.462,387 1.638,388 2.699,389 1.432,390 4.107,391 2.174,392 1.234,393 1.79,394 3.368,395 1.158,396 2.5,397 1.249,398 3.505,399 2.077,400 1.15,401 1.5,402 2.7,403 1.063,404 2.265,405 1.146,406 3.414,407 2,408 1,409 1.249,410 2.275,411 1,412 2.173,413 1,414 3.289,415 1.967,416 1,417 1.042,418 2.136,419 0.965,420 2,421 0.806,422 3.247,423 1.686,424 0.741,425 1,426 1.778,427 0.699,428 1.419,429 0.337,430 2.978,431 0.147,432 0.18,433 0.391,434 0.138,435 14.471,436 0.467,437 0.708,438 0.023,439 42.5,440 1.371,441 21,442 0.677,443 21.5,444 0.694,445 23.277,446 0.751,447 0.621,448 32.104,449 1.036,450 8.559,451 0.276,452 6.577,453 0.212,454 0.039,456 0.332,458 0.672,459 1.189,460 0.698,461 1.059,462 0.52,463 0.917,464 0.769,465 0.978,466 0.857,467 0.961,468 0.525,469 0.926,470 1.021,471 1.058,472 1.049,473 1.038,474 0.905,475 1.04,476 0.625,477 0.856,478 0.901,479 0.994,480 0.487,481 1.003,482 7.921}
{0 CHEMBL594821,1 0.828,2 86.159,3 34.348,4 1.143,5 2.592,6 27.156,7 0.847,8 2,9 448.866,10 4,11 5,12 5,13 8.191,14 77.897,15 35.223,16 0.678,17 2,18 43.59,19 0.617,20 51.424,21 1.879,22 1.879,23 0.274,24 54.804,25 7,26 9,27 1.873,28 592.093,29 1.513,30 2.109,31 2.471,32 38.099,33 8.78,34 1.114,35 5.074,36 5.347,37 1.88,38 1.877,39 0.799,40 4.194,41 5.866,42 20.668,43 13.803,44 6.558,45 7.417,46 3.3,47 6.14,48 4.384,49 2.8,50 1.153,51 15.78,52 0.12,53 0.173,54 0.082,55 12.614,56 15.441,57 5.055,58 2.913,59 4.132,60 5.093,61 2.695,62 11.5,63 4.991,64 2236,65 3.518,66 2.417,67 1.688,68 36.929,69 1.755,70 36765.2,71 186.255,72 44.972,73 32.161,74 4.069,75 2.082,76 18.793,77 130.564,78 38.711,79 0.338,80 2.074,81 -0.045,82 1.525,83 2.787,84 52265,85 -0.096,86 1.568,87 3.966,88 15.731,89 7.6,90 0.579,91 4.225,92 4.362,93 3.81,94 3.725,95 5.334,96 3.722,97 4.771,98 4.965,99 4.173,100 4.125,101 4.102,102 5.038,103 5.269,104 4.268,105 6.055,106 4.204,107 5.348,108 4.263,109 4.162,110 4.026,111 4.203,112 6.043,113 4.093,114 4.96,115 5.235,116 3.982,117 4.107,118 5.922,119 4.018,120 4.782,121 5.023,122 3.992,123 3.987,124 5.931,125 3.933,126 4.691,127 4.917,128 3.85,129 3.918,130 5.78,131 3.851,132 0.068,133 12.244,134 5.04,135 11.171,136 6.793,137 1.768,138 23.866,139 8.313,140 28.732,141 11.478,142 0.5,143 33.918,144 11.29,145 15.7,146 2.16,147 37.194,148 12.642,149 18.297,150 1.943,151 12.216,152 17.811,153 0.457,154 1.755,155 33.405,156 10.382,157 49.785,158 15.493,159 0.491,160 1.695,161 27.086,162 9.055,163 53.404,164 12.546,165 0.299,166 23.696,167 8.196,168 37.03,169 11.294,170 12,171 53,172 0.251,173 0.585,174 0.708,175 0.809,176 0.834,177 0.834,178 3.56,179 0.899,180 -4.91,181 -4.82,182 -4.52,184 41,189 7,192 8,193 2,194 1,197 1,198 1,203 1,204 1,205 1,206 1,211 2,212 7,215 2,216 2,218 1,219 6,220 1,221 1,222 2,223 3,225 1,226 5,228 1,230 1,232 2,235 9,237 1,239 1,240 4,242 5,243 1,244 1,246 1,248 2,250 2,251 5,254 2,255 6,261 1,263 2,265 4,267 2,269 1,270 2,274 3,276 6,277 2,278 23.298,279 23.298,280 23.298,281 23.298,282 23.298,283 23.945,284 18.784,285 18.784,286 18.784,287 18.784,288 18.784,289 14.813,290 19.905,291 4.363,292 2.275,293 1.504,294 0.877,295 0.721,296 0.721,297 4.27,301 1155,302 3.082,303 86.53,304 152.825,305 2.5,308 1,309 0.83,310 1,311 0.8,312 0.5,313 1,314 1,315 0.88,316 74.5,317 525,318 4.559,319 3.223,320 6.556,321 4.053,322 3.109,323 4.508,324 0.8,325 10.407,326 2.939,327 4.163,328 3.149,329 6.15,330 3.838,331 2.893,332 3.81,333 0.8,334 9.083,335 2.739,336 4.146,337 3.085,338 5.69,339 3.722,340 2.759,341 3.703,342 0.522,343 8.002,344 2.652,345 3.823,346 5.548,347 2.58,348 3.179,349 0.4,350 7.584,351 3.574,352 5.323,353 3.323,354 2.402,355 2.865,357 6.903,358 2.211,359 3.442,360 5.175,361 3.107,362 2.166,363 2.711,365 6.314,366 2.026,367 3.358,368 2.958,369 2.009,370 2.481,372 5.895,373 1.894,374 3.232,375 2.159,376 4.759,377 2.472,378 5.131,379 1.678,380 3.16,381 1.837,382 4.618,383 2.684,384 1.728,385 2.43,386 4.963,387 1.642,388 2.719,389 1.643,390 4.337,391 2.45,392 1.492,393 1.802,394 4.11,395 1.425,396 2.669,397 1.29,398 4.106,399 2.167,400 1.225,401 1.702,402 3.363,403 1.151,404 2.5,405 1.248,406 3.414,407 2,408 1.053,409 1.5,410 2.275,411 1,412 2.181,413 1.146,414 3.414,415 1.997,416 1,417 1.078,418 2.275,419 0.991,420 2.074,421 1,422 3.293,423 1.967,424 1,425 1.038,426 1.857,427 0.965,428 2,429 0.808,430 3.171,431 0.742,432 1,433 1.769,434 0.7,435 15.871,436 0.467,437 0.776,438 0.023,439 44.5,440 1.309,441 21,442 0.618,443 23.5,444 0.691,445 28.006,446 0.824,447 0.605,448 34.978,449 1.029,450 8.982,451 0.264,452 7.586,453 0.223,454 0.061,456 0.328,458 0.71,459 1.257,460 0.747,461 1.107,462 0.585,463 0.963,464 0.817,465 0.993,466 0.88,467 0.949,468 0.541,469 0.92,470 1.009,471 1.038,472 1.047,473 1.032,474 0.873,475 1.038,476 0.597,477 0.902,478 0.909,479 1.055,480 0.455,481 1.048,482 7.469}
{0 CHEMBL595058,1 0.834,2 96.133,3 35.025,4 1.142,5 2.633,6 27.16,7 0.823,8 2,9 467.614,10 4,11 5,12 5,13 8.191,14 103.214,15 41.347,16 0.843,17 2,18 43.59,19 0.729,20 74.264,21 1.906,22 1.906,23 0.267,24 54.756,25 7,26 10,27 1.663,28 651.828,29 1.498,30 2.087,31 2.592,32 36.627,33 9.065,34 1.101,35 5.054,36 5.307,37 1.876,38 1.871,39 0.816,40 4.22,41 5.941,42 20.746,43 13.848,44 6.678,45 7.5,46 3.3,47 6.175,48 4.538,49 3.084,50 1.153,51 16.136,52 0.117,53 0.168,54 0.08,55 12.976,56 15.571,57 5.097,58 2.913,59 4.169,60 5.086,61 2.777,62 11.7,63 4.993,64 2415,65 3.547,66 2.463,67 1.688,68 37.795,69 1.761,70 40573.9,71 193.851,72 47.371,73 32.978,74 4.111,75 2.082,76 18.994,77 130.671,78 38.899,79 0.423,80 2.073,81 -0.046,82 1.529,83 2.886,84 64145,85 -0.058,86 1.676,87 3.863,88 14.919,89 7.959,90 0.564,91 4.216,92 4.346,93 3.835,94 3.718,95 5.379,96 3.726,97 4.754,98 4.935,99 4.211,100 4.115,101 4.107,102 5.02,103 5.23,104 4.259,105 6.124,106 4.209,107 5.337,108 4.254,109 4.168,110 4.073,111 4.187,112 6.125,113 4.102,114 4.941,115 5.194,116 4.014,117 4.096,118 6,119 4.024,120 4.778,121 5.015,122 4.014,123 3.981,124 5.955,125 3.937,126 4.681,127 4.899,128 3.898,129 3.905,130 5.842,131 3.859,132 0.113,133 11.007,134 4.882,135 14.624,136 6.22,137 1.744,138 21.839,139 8.074,140 36.645,141 10.601,142 0.68,143 31.572,144 10.918,145 14.224,146 2.148,147 36.389,148 12.498,149 17.714,150 1.918,151 11.706,152 16.223,153 0.635,154 1.735,155 32,156 10.065,157 71.115,158 14.298,159 0.568,160 1.689,161 26.425,162 8.986,163 58.162,164 12.172,165 0.384,166 22.631,167 7.993,168 42.007,169 10.595,170 19,171 55,172 0.268,173 0.617,174 0.743,175 0.823,176 0.833,177 0.833,178 3.588,179 0.871,180 -4.5,181 -4.42,182 -4.17,184 41.7,189 6,192 8,193 2,194 1,197 1,198 1,201 1,203 1,204 1,205 1,206 1,211 2,212 7,214 1,215 3,216 2,218 2,219 6,220 1,221 1,222 2,223 3,225 1,226 5,228 1,230 1,232 2,235 9,237 1,239 1,240 4,241 1,242 5,243 1,244 1,246 1,248 2,250 2,251 5,254 2,255 6,259 2,261 1,263 2,265 4,267 2,269 1,270 4,274 3,276 6,277 2,278 23.582,279 23.582,280 23.582,281 23.582,282 23.582,283 24.177,284 19.319,285 19.319,286 19.319,287 19.319,288 19.319,289 15.037,290 20.357,291 4.231,292 2.05,293 1.267,294 0.767,295 0.7,296 0.7,297 4.296,301 1194,302 3.391,303 90.665,304 159.996,305 2.555,308 1,309 0.83,310 1,311 0.8,312 0.5,313 1,314 1,315 0.88,316 77.5,317 545,318 4.559,319 3.555,320 6.556,321 4.053,322 3.109,323 4.508,324 1.94,325 10.407,326 2.939,327 4.163,328 3.223,329 6.15,330 3.841,331 2.896,332 3.81,333 0.809,334 9.085,335 2.742,336 4.147,337 3.136,338 5.69,339 3.722,340 2.759,341 3.703,342 0.8,343 8.002,344 2.652,345 3.829,346 5.549,347 2.601,348 3.18,349 0.522,350 7.588,351 3.686,352 5.418,353 3.415,354 2.473,355 2.88,356 0.4,357 7.188,358 2.331,359 3.527,360 5.176,361 3.124,362 2.179,363 2.796,365 6.317,366 2.045,367 3.392,368 2.997,369 2.03,370 2.701,372 5.903,373 1.95,374 3.232,375 2.469,376 4.759,377 2.481,378 5.131,379 1.842,380 3.196,381 2.155,382 4.618,383 2.787,384 1.879,385 2.43,386 4.963,387 1.678,388 3.159,389 1.836,390 4.493,391 2.683,392 1.727,393 2.258,394 4.703,395 1.642,396 2.706,397 1.613,398 4.251,399 2.358,400 1.407,401 1.797,402 3.923,403 1.333,404 2.612,405 1.252,406 4.106,407 2.164,408 1.223,409 1.621,410 3.361,411 1.148,412 2.5,413 1.146,414 3.414,415 2,416 1,417 1.5,418 2.275,419 1,420 2.179,421 1,422 3.414,423 1.967,424 1,425 1.046,426 2.275,427 0.965,428 2,429 0.815,430 3.292,431 0.743,432 1,433 1.782,434 0.7,435 16.205,436 0.463,437 0.92,438 0.026,439 46.75,440 1.336,441 22.5,442 0.643,443 24.25,444 0.693,445 28.187,446 0.805,447 0.63,448 37.891,449 1.083,450 9.539,451 0.273,452 7.385,453 0.211,454 0.081,456 0.352,458 0.686,459 1.242,460 0.707,461 1.088,462 0.564,463 0.933,464 0.74,465 0.995,466 0.83,467 0.951,468 0.482,469 0.909,470 1.045,471 1.058,472 1.129,473 1.07,474 0.973,475 1.108,476 0.573,477 0.888,478 0.876,479 1.041,480 0.449,481 1.032,482 8.721}
{0 CHEMBL595488,1 0.813,2 99.905,3 34.832,4 1.14,5 2.637,6 27.151,7 0.835,8 2,9 467.614,10 4,11 5,12 5,13 8.191,14 116.833,15 43.838,16 0.962,17 2,18 43.59,19 0.775,20 77.765,21 1.906,22 1.906,23 0.267,24 54.5,25 6,26 10,27 1.587,28 674.666,29 1.471,30 2.058,31 2.592,32 36.615,33 9.065,34 1.064,35 5.048,36 5.292,37 1.872,38 1.868,39 0.834,40 4.22,41 5.978,42 20.746,43 13.848,44 6.678,45 7.5,46 3.4,47 6.179,48 4.538,49 3.085,50 1.153,51 16.136,52 0.117,53 0.168,54 0.08,55 12.987,56 15.571,57 5.097,58 2.913,59 4.172,60 5.07,61 2.778,62 10.2,63 4.993,64 2415,65 3.544,66 2.45,67 1.688,68 37.862,69 1.761,70 40573.9,71 193.851,72 47.371,73 32.978,74 4.111,75 2.081,76 18.864,77 128.849,78 38.593,79 0.505,80 2.072,81 -0.045,82 1.529,83 2.875,84 67189,85 -0.049,86 1.719,87 4.465,88 19.934,89 8.111,90 0.564,91 4.205,92 4.324,93 3.837,94 3.706,95 5.385,96 3.72,97 4.741,98 4.914,99 4.216,100 4.102,101 4.1,102 5.009,103 5.214,104 4.248,105 6.123,106 4.201,107 5.314,108 4.242,109 4.161,110 4.077,111 4.166,112 6.149,113 4.091,114 4.908,115 5.145,116 4.015,117 4.067,118 6.012,119 4.008,120 4.739,121 4.965,122 4.014,123 3.963,124 5.948,125 3.927,126 4.675,127 4.889,128 3.903,129 3.891,130 5.861,131 3.852,132 0.143,133 10.416,134 4.962,135 16.443,136 6.016,137 1.708,138 20.892,139 7.98,140 46.601,141 10.135,142 0.763,143 30.729,144 10.878,145 13.881,146 2.121,147 35.294,148 12.465,149 17.312,150 1.877,151 11.866,152 15.831,153 0.74,154 1.674,155 30.561,156 9.778,157 78.486,158 13.305,159 0.581,160 1.657,161 24.583,162 8.717,163 57.476,164 11.476,165 0.435,166 22.22,167 8.023,168 43.569,169 10.361,170 19,171 55,172 0.276,173 0.623,174 0.743,175 0.825,176 0.836,177 0.836,178 3.588,179 0.866,180 -4.9,181 -4.81,182 -4.51,184 42.4,189 6,192 8,193 2,194 1,197 1,198 1,201 1,203 1,208 1,210 1,211 2,212 7,213 1,215 3,216 2,218 2,219 6,221 1,222 2,223 3,225 1,226 5,228 1,230 1,232 2,235 9,236 1,237 1,239 1,240 4,241 1,242 5,244 1,246 1,248 2,250 2,251 5,254 2,255 6,256 2,259 2,261 1,263 2,265 4,266 2,269 1,270 4,274 3,276 6,278 23.582,279 23.582,280 23.582,281 23.582,282 23.582,283 24.206,284 19.319,285 19.319,286 19.319,287 19.319,288 19.319,289 15.037,290 20.402,291 4.163,292 2.004,293 1.254,294 0.746,295 0.678,296 0.678,297 4.296,300 1,301 1194,302 3.391,303 90.665,304 159.996,305 2.555,308 1,309 0.83,310 1,311 0.8,312 0.5,313 1,314 1,315 0.88,316 78,317 545,318 4.559,319 3.631,320 6.556,321 4.053,322 3.109,323 4.508,324 2.376,325 10.407,326 2.939,327 4.163,328 3.223,329 6.15,330 3.841,331 2.896,332 3.81,333 0.823,334 9.085,335 2.741,336 4.147,337 3.137,338 5.69,339 3.722,340 2.759,341 3.703,342 0.8,343 8.002,344 2.652,345 3.829,346 5.549,347 2.601,348 3.18,349 0.522,350 7.588,351 3.686,352 5.418,353 3.409,354 2.473,355 2.88,356 0.4,357 7.188,358 2.313,359 3.527,360 5.176,361 3.122,362 2.179,363 2.796,365 6.317,366 2.041,367 3.392,368 2.992,369 2.03,370 2.701,372 5.903,373 1.936,374 3.232,375 2.47,376 4.759,377 2.481,378 5.131,379 1.823,380 3.196,381 2.156,382 4.618,383 2.787,384 1.879,385 2.43,386 4.963,387 1.678,388 3.159,389 1.836,390 4.493,391 2.683,392 1.727,393 2.258,394 4.703,395 1.642,396 2.706,397 1.613,398 4.251,399 2.356,400 1.407,401 1.797,402 3.923,403 1.329,404 2.612,405 1.252,406 4.106,407 2.164,408 1.223,409 1.621,410 3.361,411 1.148,412 2.5,413 1.146,414 3.414,415 2,416 1,417 1.5,418 2.275,419 1,420 2.179,421 1,422 3.414,423 1.967,424 1,425 1.046,426 2.275,427 0.965,428 2,429 0.823,430 3.292,431 0.743,432 1,433 1.782,434 0.7,435 16.138,436 0.461,437 0.92,438 0.026,439 46.75,440 1.336,441 22.5,442 0.643,443 24.25,444 0.693,445 28.031,446 0.801,447 0.642,448 38.047,449 1.087,450 9.563,451 0.273,452 7.361,453 0.21,454 0.077,456 0.353,458 0.702,459 1.243,460 0.691,461 1.099,462 0.583,463 0.936,464 0.695,465 0.994,466 0.825,467 0.946,468 0.453,469 0.911,470 0.974,471 1.067,472 1.115,473 1.056,474 0.9,475 1.106,476 0.551,477 0.892,478 0.874,479 1.06,480 0.447,481 1.053,482 7.585}
{0 CHEMBL596223,1 0.835,2 78.288,3 31.578,4 1.137,5 2.482,6 27.06,7 0.88,8 2,9 394.14,10 4,11 5,12 5,13 8.191,14 64.254,15 34.188,16 0.632,17 2,18 43.59,19 0.623,20 51.446,21 1.776,22 1.776,23 0.297,24 49.88,25 5,26 8,27 1.829,28 592.871,29 1.262,30 1.821,31 2.329,32 27.974,33 7.825,34 0.945,35 4.818,36 5.061,37 1.825,38 1.827,39 0.879,40 4.092,41 5.786,42 18.643,43 12.613,44 6.088,45 6.667,46 3.8,47 6.009,48 4.371,49 2.763,50 1.11,51 14.348,52 0.13,53 0.187,54 0.089,55 11.498,56 13.29,57 4.924,58 2.866,59 4.014,60 4.865,61 2.592,62 9.6,63 4.759,64 1670,65 3.482,66 2.377,67 1.087,68 32.995,69 1.733,70 26579.3,71 163.589,72 35.979,73 29.607,74 3.882,75 2.073,76 16.762,77 115.639,78 34.33,79 0.392,80 2.059,81 -0.029,82 1.516,83 2.706,84 43576,85 -0.098,86 1.664,87 4.526,88 20.481,89 8.106,90 0.629,91 4.084,92 4.2,93 3.728,94 3.608,95 5.228,96 3.619,97 4.625,98 4.79,99 4.095,100 3.996,101 3.994,102 4.858,103 5.063,104 4.106,105 5.948,106 4.065,107 5.102,108 4.072,109 3.997,110 3.915,111 4.014,112 5.874,113 3.933,114 4.724,115 4.961,116 3.88,117 3.929,118 5.769,119 3.871,120 4.584,121 4.803,122 3.877,123 3.791,124 5.82,125 3.765,126 4.467,127 4.684,128 3.705,129 3.689,130 5.611,131 3.651,132 0.089,133 9.075,134 4.488,135 9.197,136 5.375,137 1.518,138 18.675,139 7.42,140 26.581,141 8.922,142 0.571,143 26.482,144 9.509,145 11.863,146 1.85,147 28.045,148 10.092,149 13.692,150 1.639,151 9.922,152 13.234,153 0.422,154 1.471,155 24.637,156 8.517,157 39.379,158 11.481,159 0.522,160 1.458,161 21.153,162 7.425,163 51.412,164 9.403,165 0.367,166 18.016,167 6.269,168 34.882,169 8.021,170 5,171 49,172 0.274,173 0.615,174 0.75,175 0.807,176 0.819,177 0.819,178 3.472,179 0.866,180 -5.26,181 -5.15,182 -4.81,184 44.2,189 5,192 8,193 2,194 1,197 1,198 1,203 1,211 2,212 7,215 2,216 2,218 1,219 6,222 2,223 3,225 1,226 5,228 1,230 1,232 2,235 9,237 1,239 1,240 4,242 5,246 1,248 2,250 2,251 5,254 2,255 6,261 1,265 4,269 1,270 2,274 1,276 6,278 21.273,279 21.273,280 21.273,281 21.273,282 21.273,283 21.941,284 17.352,285 17.352,286 17.352,287 17.352,288 17.352,289 13.381,290 18.477,291 4.036,292 1.97,293 1.154,294 0.808,295 0.731,296 0.731,297 4.185,300 1,301 917,302 2.646,303 74.281,304 131.625,305 2.189,308 1,309 1,310 1,311 0.8,312 0.5,313 1,314 1,315 0.9,316 68.5,317 412,318 4.559,319 3.223,320 6.556,321 4.053,322 3.109,323 4.508,324 0.86,325 10.407,326 2.939,327 4.162,328 3.127,329 6.143,330 3.821,331 2.873,332 3.81,333 0.8,334 9.057,335 2.727,336 4.144,337 3.084,338 5.69,339 3.721,340 2.759,341 3.703,342 0.522,343 8.002,344 2.651,345 3.813,346 5.546,347 2.549,348 3.178,349 0.4,350 7.576,351 3.537,352 5.177,353 3.129,354 2.192,355 2.856,357 6.322,358 2.042,359 3.391,360 4.997,361 2.986,362 2.035,363 2.705,365 5.914,366 1.922,367 3.232,368 2.787,369 1.879,370 2.481,372 5.131,373 1.678,374 3.16,375 2.117,376 4.618,377 2.43,378 4.963,379 1.651,380 2.955,381 1.833,382 4.432,383 2.673,384 1.722,385 2.012,386 4.462,387 1.624,388 2.699,389 1.525,390 4.107,391 2.172,392 1.234,393 1.79,394 3.368,395 1.155,396 2.5,397 1.256,398 3.505,399 2.036,400 1.15,401 1.5,402 2.7,403 1.009,404 2.265,405 1.251,406 3.414,407 2,408 1,409 1.249,410 2.275,411 1,412 2.173,413 1,414 3.289,415 1.952,416 1,417 1.042,418 2.136,419 0.946,420 2,421 0.807,422 3.247,423 1.686,424 0.741,425 1,426 1.778,427 0.698,428 1.419,429 0.34,430 2.978,431 0.147,432 0.18,433 0.391,434 0.138,435 14.405,436 0.465,437 0.708,438 0.023,439 42.5,440 1.371,441 21,442 0.677,443 21.5,444 0.694,445 23.138,446 0.746,447 0.635,448 32.243,449 1.04,450 8.616,451 0.278,452 6.52,453 0.21,454 0.04,456 0.333,458 0.677,459 1.174,460 0.669,461 1.092,462 0.527,463 0.925,464 0.902,465 0.95,466 0.868,467 0.932,468 0.575,469 0.899,470 1.068,471 1.091,472 1.089,473 1.034,474 0.951,475 1.055,476 0.582,477 0.883,478 0.912,479 1.027,480 0.491,481 1.043,482 6.921}
{0 CHEMBL596410,1 0.956,2 48.947,3 28.6,4 1.13,5 2.231,6 14.047,7 0.933,8 1,9 377.581,10 3,11 7,12 6,13 5.1,14 36.267,15 24.683,16 0.287,17 1,18 28.63,19 0.472,20 34.801,21 1.444,22 1.444,23 0.307,24 44.969,25 5,26 7,27 3.015,28 498.76,29 1.177,30 1.709,31 2.06,32 27.161,33 7.606,34 0.872,35 4.797,36 5.046,37 1.825,38 1.828,39 0.96,40 4.061,41 5.693,42 18.245,43 12.46,44 5.971,45 6.528,46 1.9,47 5.866,48 4.011,49 2.745,50 1.115,51 14.348,52 0.134,53 0.193,54 0.092,55 11.096,56 13.133,57 4.877,58 2.846,59 3.924,60 4.863,61 2.359,62 9.6,63 4.432,64 1526,65 3.478,66 2.376,67 1.136,68 31.481,69 1.724,70 23908.9,71 156.458,72 33.84,73 28.801,74 3.84,75 2.073,76 16.461,77 115.422,78 33.946,79 0.308,80 2.06,81 -0.024,82 1.513,83 2.425,84 35813,85 -0.076,86 1.59,87 4.32,88 18.663,89 7.76,90 0.647,91 4.076,92 4.195,93 3.692,94 3.61,95 5.174,96 3.608,97 4.615,98 4.784,99 4.044,100 3.998,101 3.979,102 4.843,103 5.053,104 4.108,105 5.87,106 4.053,107 5.103,108 4.073,109 3.982,110 3.892,111 4.015,112 5.763,113 3.927,114 4.724,115 4.962,116 3.857,117 3.93,118 5.787,119 3.864,120 4.556,121 4.787,122 3.73,123 3.796,124 5.574,125 3.731,126 4.452,127 4.676,128 3.638,129 3.694,130 5.55,131 3.624,132 0.035,133 9.876,134 4.458,135 6.343,136 5.654,137 1.413,138 19.59,139 7.373,140 22.16,141 9.377,142 0.369,143 26.727,144 9.44,145 12.59,146 1.731,147 28.759,148 10.078,149 13.674,150 1.527,151 9.876,152 13.825,153 0.386,154 1.476,155 25.183,156 8.51,157 44.06,158 11.616,159 0.294,160 1.249,161 20.855,162 7.367,163 27.454,164 9.949,165 0.369,166 18.315,167 6.182,168 36.742,169 8.702,170 2,171 47,172 0.262,173 0.598,174 0.748,175 0.826,176 0.845,177 0.845,178 3.44,179 0.883,180 -5.15,181 -5.05,182 -4.72,184 44.2,189 5,192 9,193 2,194 1,197 1,198 1,203 1,211 2,212 7,215 2,216 2,218 1,219 5,222 2,223 4,225 1,226 7,228 1,230 1,232 2,235 8,237 1,239 1,240 2,242 7,246 1,248 6,250 2,251 4,254 1,255 6,259 2,261 1,263 2,265 4,269 1,270 2,274 1,276 4,278 20.878,279 20.878,280 20.878,281 20.878,282 20.878,283 21.472,284 16.83,285 16.83,286 16.83,287 16.83,288 16.83,289 12.938,290 17.828,291 4.111,292 2.073,293 1.164,294 0.692,295 0.577,296 0.577,297 4.156,300 1,301 882,302 2.55,303 71.129,304 125.761,305 2.084,308 1,309 1,310 1,311 0.8,312 0.5,313 1,314 1,315 0.9,316 65,317 394,318 4.561,319 3.267,320 6.561,321 4.059,322 3.114,323 4.508,324 0.86,325 10.424,326 2.944,327 4.163,328 3.127,329 6.143,330 3.821,331 2.874,332 3.775,333 0.8,334 9.057,335 2.728,336 4.141,337 3.058,338 6.027,339 3.738,340 2.774,341 3.702,342 0.522,343 8.596,344 2.67,345 3.809,346 5.549,347 2.543,348 3.173,349 0.4,350 7.584,351 3.513,352 5.13,353 3.08,354 2.15,355 2.836,357 6.141,358 1.991,359 3.313,360 4.99,361 2.866,362 1.915,363 2.642,365 5.774,366 1.815,367 2.955,368 2.692,369 1.765,370 2.068,372 4.463,373 1.63,374 2.892,375 1.745,376 4.246,377 2.012,378 3.834,379 1.417,380 2.838,381 1.525,382 4.029,383 2.374,384 1.414,385 1.971,386 3.278,387 1.339,388 2.685,389 1.491,390 3.598,391 2.162,392 1.22,393 1.77,394 2.955,395 1.147,396 2.5,397 1.256,398 3.505,399 2.036,400 1.149,401 1.5,402 2.7,403 1.009,404 2.265,405 1.233,406 3.414,407 2,408 1,409 1.249,410 2.275,411 1,412 2.175,413 1,414 3.282,415 1.952,416 1,417 1.045,418 2.136,419 0.946,420 2,421 0.804,422 3.247,423 1.69,424 0.743,425 1,426 1.771,427 0.702,428 1.473,429 0.507,430 2.967,431 0.197,432 0.243,433 0.495,434 0.183,435 14.119,436 0.471,437 0.585,438 0.019,439 41.75,440 1.392,441 21,442 0.7,443 20.75,444 0.692,445 21.873,446 0.729,447 0.605,448 30.487,449 1.016,450 8.428,451 0.281,452 6.332,453 0.211,454 0.02,456 0.305,458 0.749,459 1.268,460 0.715,461 1.094,462 0.566,463 0.932,464 1.029,465 0.975,466 0.925,467 0.931,468 0.664,469 0.913,470 1.067,471 1.159,472 1.031,473 1.039,474 0.889,475 1.028,476 0.987,477 0.999,478 1.102,479 1.027,480 1.2,481 1.069,482 6.658}
{0 CHEMBL596420,1 0.776,2 84.382,3 33.23,4 1.14,5 2.592,6 27.103,7 0.912,8 2,9 411.836,10 4,11 5,12 5,13 8.191,14 67.104,15 32.005,16 0.633,17 2,18 43.59,19 0.604,20 43.744,21 1.879,22 1.879,23 0.289,24 53.554,25 6,26 8,27 1.925,28 574.781,29 1.393,30 1.984,31 2.468,32 33.011,33 8.119,34 1.029,35 4.929,36 5.199,37 1.863,38 1.865,39 0.913,40 4.135,41 5.8,42 19.091,43 12.699,44 6.124,45 6.833,46 3.6,47 6.082,48 4.329,49 2.776,50 1.153,51 14.742,52 0.127,53 0.182,54 0.086,55 11.874,56 14,57 4.969,58 2.913,59 4.048,60 5.015,61 2.616,62 10.7,63 4.968,64 1848,65 3.503,66 2.403,67 1.127,68 34.229,69 1.74,70 29643.3,71 171.006,72 38.781,73 30.442,74 3.943,75 2.08,76 17.801,77 122.614,78 36.163,79 0.33,80 2.071,81 -0.023,82 1.533,83 2.787,84 43691,85 -0.06,86 1.565,87 4.795,88 22.994,89 7.76,90 0.611,91 4.144,92 4.274,93 3.754,94 3.664,95 5.257,96 3.662,97 4.692,98 4.882,99 4.127,100 4.062,101 4.046,102 4.937,103 5.151,104 4.203,105 5.984,106 4.143,107 5.275,108 4.174,109 4.072,110 3.935,111 4.08,112 5.917,113 3.982,114 4.76,115 5.002,116 3.919,117 3.998,118 5.781,119 3.93,120 4.672,121 4.897,122 3.927,123 3.905,124 5.874,125 3.858,126 4.613,127 4.85,128 3.742,129 3.808,130 5.687,131 3.74,132 0.051,133 10.672,134 4.732,135 7.489,136 6.139,137 1.654,138 21.44,139 7.661,140 23.964,141 10.21,142 0.414,143 29.27,144 10.435,145 13.83,146 2.023,147 34.585,148 11.951,149 16.993,150 1.751,151 10.88,152 15.338,153 0.313,154 1.567,155 25.587,156 8.745,157 33.637,158 12.319,159 0.443,160 1.589,161 23.316,162 8.21,163 49.082,164 10.89,165 0.312,166 22.19,167 7.603,168 36.43,169 10.272,170 10,171 51,172 0.254,173 0.592,174 0.733,175 0.809,176 0.82,177 0.82,178 3.502,179 0.884,180 -5.47,181 -5.34,182 -4.99,184 42.9,188 1,189 5,192 8,193 2,194 1,197 1,198 1,203 1,211 2,212 7,215 2,216 2,218 1,219 6,222 2,223 3,225 1,226 5,228 1,230 1,232 2,235 9,237 1,239 1,240 4,242 5,246 1,248 2,250 2,251 5,254 2,255 6,261 1,265 4,269 1,270 2,274 1,276 6,278 21.72,279 21.72,280 21.72,281 21.72,282 21.72,283 22.347,284 17.819,285 17.819,286 17.819,287 17.819,288 17.819,289 13.848,290 18.891,291 4.243,292 2.167,293 1.299,294 0.835,295 0.763,296 0.763,297 4.212,300 1,301 993,302 2.739,303 78.311,304 138.583,305 2.25,308 0.75,309 1,310 1,311 0.8,312 0.5,313 1,314 1,315 0.86,316 70,317 448,318 4.559,319 3.223,320 6.556,321 4.053,322 3.109,323 4.508,324 0.8,325 10.407,326 2.939,327 4.163,328 3.141,329 6.148,330 3.834,331 2.888,332 3.81,333 0.8,334 9.075,335 2.737,336 4.146,337 3.085,338 5.69,339 3.722,340 2.759,341 3.703,342 0.522,343 8.002,344 2.652,345 3.821,346 5.547,347 2.567,348 3.179,349 0.4,350 7.58,351 3.557,352 5.178,353 3.238,354 2.315,355 2.862,357 6.341,358 2.132,359 3.41,360 5.061,361 3.093,362 2.151,363 2.709,365 6.118,366 2.015,367 3.3,368 2.947,369 2,370 2.481,372 5.838,373 1.881,374 3.232,375 2.153,376 4.759,377 2.431,378 5.131,379 1.678,380 3.16,381 1.836,382 4.618,383 2.683,384 1.728,385 2.37,386 4.963,387 1.642,388 2.706,389 1.597,390 4.292,391 2.369,392 1.422,393 1.798,394 3.981,395 1.343,396 2.612,397 1.252,398 4.106,399 2.164,400 1.223,401 1.628,402 3.361,403 1.148,404 2.5,405 1.146,406 3.414,407 2,408 1,409 1.5,410 2.275,411 1,412 2.179,413 1,414 3.414,415 1.967,416 1,417 1.046,418 2.275,419 0.965,420 2,421 0.808,422 3.291,423 1.688,424 0.743,425 1,426 1.781,427 0.7,428 1.439,429 0.362,430 2.995,431 0.182,432 0.218,433 0.469,434 0.171,435 14.971,436 0.468,437 0.814,438 0.025,439 43.25,440 1.352,441 21,442 0.656,443 22.25,444 0.695,445 25.045,446 0.783,447 0.611,448 33.288,449 1.04,450 8.728,451 0.273,452 6.802,453 0.213,454 0.072,456 0.347,458 0.657,459 1.253,460 0.708,461 1.119,462 0.515,463 0.963,464 0.811,465 0.932,466 0.842,467 0.871,468 0.51,469 0.85,470 1.026,471 1.107,472 1.1,473 1.117,474 0.908,475 1.118,476 0.577,477 0.863,478 0.888,479 1.02,480 0.457,481 1.02,482 8.495}
{0 CHEMBL596421,1 0.816,2 90.331,3 34.121,4 1.145,5 2.592,6 27.116,7 0.85,8 2,9 448.866,10 4,11 4,12 5,13 8.191,14 92.279,15 39.636,16 0.855,17 2,18 31.819,19 0.706,20 62.896,21 1.879,22 1.879,23 0.274,24 54.55,25 7,26 10,27 1.646,28 634.575,29 1.4,30 2.034,31 2.472,32 37.337,33 8.78,34 1.084,35 5.049,36 5.311,37 1.872,38 1.865,39 0.832,40 4.2,41 5.887,42 20.668,43 13.803,44 6.558,45 7.417,46 3.4,47 6.138,48 4.451,49 2.802,50 1.153,51 15.78,52 0.12,53 0.173,54 0.082,55 12.61,56 15.441,57 5.055,58 2.913,59 4.137,60 5.056,61 2.698,62 11.9,63 4.991,64 2236,65 3.516,66 2.414,67 1.655,68 37.095,69 1.755,70 36765.2,71 186.255,72 44.972,73 32.161,74 4.069,75 2.081,76 18.532,77 126.731,78 37.899,79 0.455,80 2.073,81 -0.044,82 1.525,83 2.787,84 56903,85 -0.037,86 1.683,87 3.478,88 12.095,89 7.891,90 0.579,91 4.204,92 4.331,93 3.817,94 3.686,95 5.346,96 3.697,97 4.749,98 4.936,99 4.18,100 4.08,101 4.075,102 5.003,103 5.224,104 4.225,105 6.07,106 4.174,107 5.304,108 4.221,109 4.134,110 4.036,111 4.151,112 6.072,113 4.059,114 4.913,115 5.175,116 3.988,117 4.034,118 5.939,119 3.971,120 4.704,121 4.929,122 4.007,123 3.911,124 5.961,125 3.882,126 4.64,127 4.864,128 3.852,129 3.85,130 5.752,131 3.804,132 0.119,133 11.152,134 4.833,135 14.17,136 6.223,137 1.717,138 22.451,139 7.801,140 32.994,141 10.355,142 0.679,143 31.864,144 10.654,145 14.363,146 2.08,147 35.17,148 12.025,149 17.159,150 1.842,151 11.775,152 16.673,153 0.637,154 1.656,155 31.909,156 9.316,157 61.419,158 13.704,159 0.639,160 1.617,161 24.039,162 7.754,163 64.351,164 10.736,165 0.35,166 21.77,167 7.28,168 32.89,169 10.151,170 12,171 53,172 0.271,173 0.609,174 0.743,175 0.822,176 0.833,177 0.833,178 3.56,179 0.881,180 -4.77,181 -4.68,182 -4.4,184 40.7,189 7,192 7,193 1,194 1,195 1,197 1,202 1,203 1,211 3,212 3,215 2,216 2,218 3,219 4,221 1,222 2,223 3,225 1,226 6,228 1,235 11,237 2,242 5,244 1,246 1,250 2,251 8,254 2,259 2,261 1,263 2,265 2,269 1,270 1,274 3,276 6,278 23.298,279 23.298,280 23.298,281 23.298,282 23.298,283 24.024,284 18.784,285 18.784,286 18.784,287 18.784,288 18.784,289 14.813,290 20.037,291 4.2,292 2.099,293 1.269,294 0.78,295 0.712,296 0.712,297 4.27,300 1,301 1155,302 3.082,303 86.53,304 152.825,305 2.5,308 1,309 0.83,310 1,311 0.8,312 0.5,313 1,314 1,315 0.88,316 75.5,317 525,318 4.559,319 3.223,320 6.556,321 4.041,322 3.109,323 4.508,324 0.8,325 10.407,326 2.899,327 4.163,328 3.149,329 6.15,330 3.838,331 2.893,332 3.81,333 0.8,334 9.083,335 2.739,336 4.146,337 3.085,338 5.69,339 3.721,340 2.759,341 3.703,342 0.522,343 8.002,344 2.646,345 3.823,346 5.548,347 2.58,348 3.179,349 0.4,350 7.584,351 3.574,352 5.323,353 3.322,354 2.402,355 2.865,357 6.903,358 2.208,359 3.442,360 5.175,361 3.104,362 2.166,363 2.711,365 6.314,366 2.022,367 3.358,368 2.95,369 2.009,370 2.481,372 5.895,373 1.879,374 3.232,375 2.16,376 4.759,377 2.472,378 5.131,379 1.678,380 3.16,381 1.837,382 4.618,383 2.674,384 1.728,385 2.43,386 4.963,387 1.626,388 2.719,389 1.684,390 4.337,391 2.445,392 1.492,393 1.802,394 4.11,395 1.417,396 2.669,397 1.484,398 4.106,399 2.14,400 1.225,401 1.702,402 3.363,403 1.12,404 2.5,405 1.251,406 3.414,407 2,408 1.053,409 1.5,410 2.275,411 1,412 2.181,413 1.146,414 3.414,415 1.968,416 1,417 1.078,418 2.275,419 0.965,420 2.074,421 1,422 3.293,423 1.967,424 1,425 1.038,426 1.857,427 0.955,428 2,429 0.808,430 3.171,431 0.742,432 1,433 1.769,434 0.676,435 15.705,436 0.462,437 0.776,438 0.023,439 45,440 1.324,441 21,442 0.618,443 24,444 0.706,445 27.517,446 0.809,447 0.629,448 35.467,449 1.043,450 9.101,451 0.268,452 7.467,453 0.22,454 0.058,456 0.331,458 0.735,459 1.313,460 0.714,461 1.149,462 0.607,463 0.971,464 0.842,465 0.984,466 0.876,467 0.927,468 0.597,469 0.901,470 0.954,471 1.026,472 1.047,473 1.023,474 0.862,475 1.046,476 0.57,477 0.924,478 0.892,479 1.092,480 0.453,481 1.075,482 8.252}
{0 CHEMBL603203,1 0.899,2 36.234,3 29.951,4 1.13,5 2.332,6 13.509,7 0.911,8 1,9 379.141,10 3,11 7,12 6,13 5.1,14 44.48,15 23.758,16 0.391,17 1,18 28.63,19 0.341,20 36.534,21 1.735,22 1.735,23 0.306,24 47.568,25 5,26 7,27 3.292,28 498.76,29 1.157,30 1.691,31 2.124,32 27.511,33 7.674,34 0.872,35 4.801,36 5.05,37 1.825,38 1.828,39 0.911,40 4.037,41 5.702,42 18.221,43 12.437,44 5.99,45 6.5,46 1.9,47 5.794,48 4.009,49 2.757,50 1.113,51 14.348,52 0.134,53 0.193,54 0.091,55 11.083,56 13.167,57 4.876,58 2.85,59 3.912,60 4.851,61 2.497,62 9.6,63 4.687,64 1542,65 3.475,66 2.375,67 1.086,68 31.481,69 1.724,70 24099.5,71 156.689,72 34.48,73 28.846,74 3.857,75 2.073,76 16.461,77 115.422,78 33.946,79 0.308,80 2.06,81 -0.025,82 1.507,83 2.679,84 36469,85 -0.101,86 1.59,87 4.32,88 18.663,89 7.76,90 0.647,91 4.076,92 4.195,93 3.692,94 3.61,95 5.173,96 3.608,97 4.615,98 4.784,99 4.044,100 3.998,101 3.979,102 4.843,103 5.053,104 4.109,105 5.857,106 4.049,107 5.095,108 4.074,109 3.978,110 3.871,111 4.016,112 5.775,113 3.922,114 4.714,115 4.956,116 3.816,117 3.932,118 5.694,119 3.855,120 4.562,121 4.791,122 3.771,123 3.795,124 5.652,125 3.738,126 4.45,127 4.674,128 3.625,129 3.693,130 5.493,131 3.629,132 0.035,133 9.876,134 4.458,135 6.245,136 5.654,137 1.413,138 19.59,139 7.373,140 23.875,141 9.377,142 0.391,143 26.805,144 9.438,145 12.574,146 1.642,147 28.066,148 10.039,149 14.029,150 1.546,151 9.877,152 13.752,153 0.302,154 1.396,155 24.778,156 8.488,157 32.349,158 11.805,159 0.353,160 1.303,161 21.049,162 7.37,163 35.499,164 9.909,165 0.255,166 18.19,167 6.216,168 25.826,169 8.516,170 2,171 47,172 0.262,173 0.598,174 0.754,175 0.832,176 0.845,177 0.845,178 3.44,179 0.883,180 -5.15,181 -5.05,182 -4.72,184 44.2,189 5,192 9,193 2,194 1,197 1,198 1,203 1,211 2,212 7,215 2,216 2,218 1,219 6,222 2,223 4,225 1,226 6,228 1,230 1,232 2,235 9,237 1,239 1,240 4,242 6,246 1,248 4,250 2,251 5,254 2,255 6,259 1,261 1,263 1,265 4,269 1,270 2,274 1,276 6,278 20.825,279 20.825,280 20.825,281 20.825,282 20.825,283 21.431,284 16.852,285 16.852,286 16.852,287 16.852,288 16.852,289 12.965,290 17.863,291 4.111,292 2.073,293 1.126,294 0.654,295 0.577,296 0.577,297 4.156,300 1,301 884,302 2.55,303 71.728,304 126.781,305 2.122,308 1,309 1,310 1,311 0.8,312 0.5,313 1,314 1,315 0.9,316 65,317 395,318 4.558,319 3.193,320 6.556,321 4.051,322 3.108,323 4.507,324 0.86,325 10.406,326 2.937,327 4.149,328 3.124,329 6.143,330 3.82,331 2.873,332 3.704,333 0.8,334 9.057,335 2.727,336 4.042,337 2.964,338 5.587,339 3.624,340 2.655,341 3.649,342 0.522,343 7.7,344 2.577,345 3.81,346 5.515,347 2.537,348 3.175,349 0.4,350 7.462,351 3.526,352 5.112,353 3.103,354 2.171,355 2.848,357 6.154,358 2.012,359 3.376,360 4.991,361 2.965,362 2.017,363 2.69,365 5.838,366 1.898,367 3.171,368 2.711,369 1.779,370 2.439,372 5.013,373 1.654,374 2.955,375 1.86,376 4.432,377 2.012,378 4.462,379 1.625,380 2.715,381 1.525,382 4.107,383 2.205,384 1.252,385 1.812,386 3.375,387 1.192,388 2.649,389 1.307,390 3.505,391 2.148,392 1.178,393 1.72,394 2.701,395 1.138,396 2.5,397 1.256,398 3.482,399 2.036,400 1.146,401 1.5,402 2.592,403 1.009,404 2.265,405 1.212,406 3.414,407 2,408 1,409 1.249,410 2.275,411 1,412 2.172,413 1,414 3.284,415 1.952,416 1,417 1.04,418 2.136,419 0.946,420 2,421 0.797,422 3.247,423 1.684,424 0.738,425 1,426 1.769,427 0.696,428 1.419,429 0.329,430 2.967,431 0.147,432 0.18,433 0.388,434 0.137,435 14.119,436 0.471,437 0.602,438 0.02,439 41.75,440 1.392,441 21,442 0.7,443 20.75,444 0.692,445 21.774,446 0.726,447 0.605,448 30.38,449 1.013,450 8.412,451 0.28,452 6.33,453 0.211,454 0.02,456 0.305,458 0.749,459 1.268,460 0.715,461 1.094,462 0.568,463 0.932,464 1.029,465 0.975,466 0.925,467 0.931,468 0.641,469 0.913,470 1.091,471 1.124,472 1.077,473 1.035,474 0.935,475 1.047,476 0.743,477 0.963,478 1.002,479 1.029,480 0.721,481 1.049,482 7.432}
{0 CHEMBL605087,1 1.017,2 29.712,3 31.724,4 1.127,5 2.184,7 0.931,9 364.141,10 2,11 9,12 8,13 4.749,14 29.445,15 15.606,16 0.228,18 4.227,19 0.305,20 26.594,21 1.437,22 1.437,23 0.315,24 51.163,25 5,26 6,27 6.415,28 394.649,29 1.12,30 1.64,31 2.094,32 29.094,33 7.49,34 0.835,35 4.852,36 5.114,37 1.815,38 1.82,39 0.979,40 3.988,41 5.62,42 18.228,43 12.317,44 5.94,45 6.333,47 5.731,48 3.817,49 2.685,50 1.137,51 14.348,52 0.133,53 0.199,54 0.094,55 10.717,56 13.034,57 4.827,58 2.855,59 3.86,60 4.906,61 2.349,62 9.3,63 4.432,64 1406,65 3.449,66 2.371,67 1.086,68 30.567,69 1.715,70 21696.4,71 149.742,72 32.323,73 28.061,74 3.823,75 2.059,76 16.42,77 117.322,78 34.09,79 0.305,80 2.052,81 0.045,82 1.49,83 2.424,84 28465,85 -0.105,86 1.463,87 4.332,88 18.764,89 7.176,90 0.545,91 4.099,92 4.226,93 3.658,94 3.632,95 5.105,96 3.612,97 4.66,98 4.844,99 3.997,100 4.03,101 3.986,102 4.893,103 5.118,104 4.153,105 5.757,106 4.062,107 5.164,108 4.115,109 3.992,110 3.838,111 4.063,112 5.69,113 3.944,114 4.773,115 5.025,116 3.761,117 3.978,118 5.64,119 3.873,120 4.642,121 4.895,122 3.664,123 3.859,124 5.488,125 3.752,126 4.516,127 4.757,128 3.551,129 3.753,130 5.389,131 3.646,132 0.033,133 11.668,134 4.705,135 7.041,136 6.507,137 1.378,138 22.569,139 7.854,140 22.898,141 10.955,142 0.314,143 29.552,144 10.041,145 14.693,146 1.631,147 30.579,148 10.47,149 15.611,150 1.508,151 10.446,152 15.433,153 0.268,154 1.399,155 26.946,156 8.926,157 30.318,158 13.183,159 0.249,160 1.232,161 23.559,162 8.224,163 23.887,164 12.039,165 0.213,166 20.329,167 6.834,168 20.819,169 10.261,171 45,172 0.241,173 0.552,174 0.72,175 0.8,176 0.82,177 0.82,178 3.408,179 0.927,180 -5.12,181 -5.02,182 -4.7,184 42.6,186 1,189 6,192 9,193 2,194 1,196 1,197 1,211 2,212 7,215 2,216 2,218 1,219 6,222 2,223 5,225 1,226 7,228 1,230 1,232 2,235 9,237 1,239 1,240 4,242 7,246 1,248 6,250 2,251 5,254 2,255 6,259 2,261 1,263 2,265 4,269 1,270 2,274 1,276 6,278 20.378,279 20.378,280 20.378,281 20.378,282 20.378,283 20.92,284 16.369,285 16.369,286 16.369,287 16.369,288 16.369,289 13.167,290 17.258,291 4.292,292 2.404,293 1.385,294 0.903,295 0.778,296 0.778,297 4.126,300 1,301 851,302 2.449,303 69.176,304 121.937,305 2.04,308 1,309 1,310 1,311 0.8,312 0.5,313 1,314 1,315 0.9,316 61.5,317 378,318 4.389,319 3.353,320 6.556,321 4.05,322 3.106,323 3.987,324 0.916,325 10.405,326 2.936,327 4.144,328 3.126,329 6.143,330 3.82,331 2.873,332 3.692,333 0.86,334 9.057,335 2.726,336 3.907,337 2.809,338 5.564,339 3.538,340 2.586,341 3.448,342 0.8,343 7.638,344 2.501,345 3.768,346 5.431,347 2.476,348 3.058,349 0.4,350 7.181,351 3.46,352 5.031,353 3.066,354 2.132,355 2.742,356 0.172,357 6.03,358 1.981,359 3.141,360 4.96,361 2.833,362 1.878,363 2.303,365 5.571,366 1.789,367 2.95,368 2.691,369 1.763,370 2.02,372 4.462,373 1.63,374 2.868,375 1.548,376 4.124,377 2.006,378 3.455,379 1.417,380 2.5,381 1.524,382 3.587,383 2.165,384 1.223,385 1.5,386 2.977,387 1.149,388 2.5,389 1.334,390 3.505,391 2.036,392 1.149,393 1.5,394 2.7,395 1.009,396 2.488,397 1.256,398 3.414,399 2,400 1,401 1.485,402 2.275,403 1,404 2.26,405 1,406 3.271,407 2,408 1,409 1.246,410 2.136,411 1,412 2,413 1,414 3.247,415 1.952,416 1,417 1,418 2.136,419 0.946,420 1.943,421 0.862,422 3.247,423 1.683,424 0.737,425 0.866,426 1.759,427 0.695,428 1.372,429 0.349,430 2.96,431 0.147,432 0.173,433 0.385,434 0.137,435 13.833,436 0.477,437 0.496,438 0.017,439 39.5,440 1.362,441 19.5,442 0.672,443 20,444 0.69,445 22.063,446 0.761,447 0.566,448 27.035,449 0.932,450 7.772,451 0.268,452 6.576,453 0.227,456 0.275,458 0.935,459 1.452,460 0.801,461 1.134,462 0.81,463 0.979,464 1.344,465 1.031,466 1.007,467 0.943,468 1.018,469 0.941,470 1.163,471 1.186,472 1.078,473 1.052,474 1.056,475 1.054,476 0.851,477 1.013,478 1.051,479 1.019,480 1.037,481 1.042,482 5.081}
{0 CHEMBL606152,1 0.861,2 37.968,3 29.951,4 1.13,5 2.336,6 13.165,7 0.883,8 1,9 380.896,10 3,11 7,12 6,13 5.1,14 31.767,15 23.26,16 0.26,17 1,18 28.63,19 0.364,20 38.25,21 1.753,22 1.753,23 0.306,24 46.582,25 5,26 7,27 3.447,28 498.76,29 1.211,30 1.691,31 2.129,32 26.818,33 7.748,34 0.872,35 4.788,36 5.041,37 1.825,38 1.828,39 0.849,40 4.037,41 5.702,42 18.221,43 12.404,44 5.976,45 6.5,46 1.9,47 5.78,48 4.006,49 2.766,50 1.109,51 14.348,52 0.134,53 0.193,54 0.091,55 11.075,56 13.633,57 4.875,58 2.854,59 3.884,60 4.851,61 2.558,62 9.6,63 4.816,64 1558,65 3.473,66 2.375,67 1.138,68 31.481,69 1.724,70 24286.6,71 156.91,72 35.12,73 28.896,74 3.88,75 2.073,76 16.461,77 115.422,78 33.946,79 0.308,80 2.06,81 -0.025,82 1.508,83 2.687,84 37125,85 -0.062,86 1.59,87 4.32,88 18.663,89 7.76,90 0.647,91 4.076,92 4.195,93 3.692,94 3.61,95 5.173,96 3.608,97 4.615,98 4.784,99 4.044,100 3.998,101 3.979,102 4.843,103 5.053,104 4.109,105 5.864,106 4.049,107 5.095,108 4.075,109 3.973,110 3.858,111 4.016,112 5.695,113 3.918,114 4.719,115 4.96,116 3.794,117 3.932,118 5.706,119 3.849,120 4.551,121 4.784,122 3.727,123 3.796,124 5.545,125 3.729,126 4.457,127 4.678,128 3.67,129 3.692,130 5.578,131 3.636,132 0.035,133 9.876,134 4.458,135 6.245,136 5.654,137 1.413,138 19.59,139 7.373,140 23.777,141 9.377,142 0.391,143 26.805,144 9.438,145 12.574,146 1.624,147 28.144,148 10.037,149 14.013,150 1.457,151 9.838,152 14.107,153 0.406,154 1.414,155 25.129,156 8.488,157 40.562,158 11.733,159 0.269,160 1.222,161 20.645,162 7.348,163 23.788,164 10.099,165 0.315,166 18.385,167 6.219,168 33.871,169 8.476,170 2,171 47,172 0.262,173 0.598,174 0.741,175 0.807,176 0.819,177 0.819,178 3.44,179 0.883,180 -5.15,181 -5.05,182 -4.72,184 44.2,189 5,192 9,193 2,194 1,197 1,198 1,203 1,211 2,212 7,215 2,216 2,218 1,219 6,222 2,223 4,225 1,226 7,228 1,230 1,232 2,235 8,237 1,239 1,240 4,242 7,246 1,248 6,250 2,251 4,254 2,255 4,259 2,261 1,263 2,265 4,269 1,270 1,276 6,278 20.825,279 20.825,280 20.825,281 20.825,282 20.825,283 21.431,284 16.835,285 16.835,286 16.835,287 16.835,288 16.835,289 12.959,290 17.85,291 4.111,292 2.073,293 1.202,294 0.808,295 0.731,296 0.731,297 4.156,300 1,301 915,302 2.55,303 72.458,304 127.996,305 2.209,308 1,309 1,310 1,311 0.8,312 0.5,313 1,314 1,315 0.9,316 65,317 409,318 4.558,319 3.187,320 6.556,321 4.051,322 3.107,323 4.507,324 0.86,325 10.405,326 2.936,327 4.149,328 3.124,329 6.143,330 3.82,331 2.873,332 3.704,333 0.8,334 9.057,335 2.726,336 4.014,337 2.933,338 5.568,339 3.597,340 2.628,341 3.617,342 0.522,343 7.647,344 2.554,345 3.81,346 5.466,347 2.531,348 3.176,349 0.4,350 7.288,351 3.542,352 5.097,353 3.131,354 2.196,355 2.864,357 6.144,358 2.038,359 3.425,360 4.993,361 3.009,362 2.066,363 2.74,365 5.886,366 1.935,367 3.219,368 2.742,369 1.8,370 2.523,372 5.302,373 1.689,374 2.955,375 1.871,376 4.432,377 2.012,378 4.462,379 1.628,380 2.703,381 1.525,382 4.112,383 2.176,384 1.24,385 1.796,386 3.382,387 1.159,388 2.5,389 1.261,390 3.505,391 2.036,392 1.151,393 1.5,394 2.7,395 1.01,396 2.5,397 1.256,398 3.414,399 2,400 1,401 1.5,402 2.275,403 1,404 2.266,405 1,406 3.414,407 2,408 1,409 1.249,410 2.275,411 1,412 2.18,413 1,414 3.289,415 1.952,416 1,417 1.054,418 2.136,419 0.946,420 2,421 0.859,422 3.247,423 1.7,424 0.754,425 1,426 1.798,427 0.711,428 1.473,429 0.579,430 2.971,431 0.201,432 0.246,433 0.507,434 0.186,435 14.119,436 0.471,437 0.602,438 0.02,439 41.75,440 1.392,441 21,442 0.7,443 20.75,444 0.692,445 21.701,446 0.723,447 0.605,448 30.297,449 1.01,450 8.412,451 0.28,452 6.33,453 0.211,454 0.02,456 0.305,458 0.749,459 1.268,460 0.715,461 1.094,462 0.568,463 0.932,464 1.029,465 0.975,466 0.925,467 0.931,468 0.642,469 0.913,470 1.091,471 1.124,472 1.077,473 1.035,474 0.917,475 1.047,476 0.766,477 0.928,478 1.046,479 1.025,480 0.765,481 1.067,482 5.387}
{0 CHEMBL606350,1 0.796,2 103.532,3 36.572,4 1.142,5 2.637,6 27.191,7 0.817,8 2,9 486.746,10 4,11 5,12 5,13 8.191,14 95.986,15 40.527,16 0.863,17 2,18 43.59,19 0.743,20 65.993,21 1.973,22 1.973,23 0.26,24 55.552,25 7,26 10,27 1.71,28 660.849,29 1.59,30 2.145,31 2.592,32 39.406,33 9.373,34 1.139,35 5.108,36 5.369,37 1.882,38 1.874,39 0.867,40 4.255,41 5.942,42 21.668,43 14.323,44 6.823,45 7.833,46 3.2,47 6.225,48 4.386,49 3.085,50 1.153,51 16.674,52 0.114,53 0.164,54 0.078,55 13.36,56 16.278,57 5.137,58 2.933,59 4.197,60 5.127,61 2.778,62 11.1,63 4.996,64 2604,65 3.564,66 2.489,67 1.688,68 39.095,69 1.768,70 44749.1,71 201.575,72 50.667,73 33.81,74 4.164,75 2.082,76 19.916,77 135.568,78 40.426,79 0.444,80 2.073,81 -0.025,82 1.531,83 2.925,84 67320,85 0.062,86 1.656,87 4.068,88 16.552,89 7.803,90 0.55,91 4.258,92 4.389,93 3.863,94 3.754,95 5.393,96 3.758,97 4.804,98 4.995,99 4.23,100 4.147,101 4.135,102 5.057,103 5.27,104 4.293,105 6.147,106 4.242,107 5.371,108 4.289,109 4.203,110 4.109,111 4.228,112 6.135,113 4.143,114 4.983,115 5.226,116 4.061,117 4.168,118 6.017,119 4.09,120 4.908,121 5.16,122 4.049,123 4.077,124 6.016,125 4.007,126 4.803,127 5.051,128 3.924,129 3.965,130 5.881,131 3.904,132 0.092,133 11.961,134 5.194,135 10.571,136 6.783,137 1.801,138 24.07,139 8.397,140 31.59,141 11.346,142 0.643,143 33.455,144 11.449,145 15.246,146 2.212,147 38.008,148 12.931,149 18.231,150 1.997,151 12.172,152 17.254,153 0.588,154 1.833,155 32.688,156 10.677,157 61.375,158 15.127,159 0.582,160 1.829,161 31.074,162 10.542,163 62.932,164 14.729,165 0.446,166 27.608,167 8.973,168 48.029,169 12.538,170 20,171 56,172 0.263,173 0.606,174 0.75,175 0.825,176 0.836,177 0.836,178 3.615,179 0.884,180 -4.7,181 -4.61,182 -4.34,184 41.3,188 1,189 6,192 8,193 2,194 1,197 1,198 1,201 1,203 1,211 2,212 7,215 3,216 2,218 2,219 6,221 1,222 2,223 3,225 1,226 5,228 1,230 1,232 2,235 9,237 1,239 1,240 4,241 1,242 5,244 1,246 1,248 2,250 2,251 5,254 2,255 6,259 2,261 1,263 2,265 4,269 1,270 4,274 3,276 6,278 24.452,279 24.452,280 24.452,281 24.452,282 24.452,283 25.124,284 19.729,285 19.729,286 19.729,287 19.729,288 19.729,289 15.444,290 20.817,291 4.321,292 2.156,293 1.25,294 0.774,295 0.71,296 0.71,297 4.323,301 1281,302 3.536,303 94.843,304 167.258,305 2.682,308 1,309 0.83,310 1,311 0.8,312 0.5,313 1,314 1,315 0.88,316 79.5,317 586,318 4.559,319 3.605,320 6.556,321 4.053,322 3.109,323 4.508,324 1.959,325 10.407,326 2.939,327 4.163,328 3.223,329 6.151,330 3.842,331 2.897,332 3.81,333 0.815,334 9.085,335 2.742,336 4.147,337 3.137,338 5.69,339 3.722,340 2.76,341 3.703,342 0.8,343 8.002,344 2.652,345 3.833,346 5.55,347 2.612,348 3.18,349 0.522,350 7.592,351 3.731,352 5.462,353 3.439,354 2.495,355 2.908,356 0.4,357 7.308,358 2.354,359 3.536,360 5.176,361 3.136,362 2.19,363 2.838,364 0.163,365 6.319,366 2.058,367 3.396,368 3.034,369 2.067,370 2.705,372 5.91,373 1.98,374 3.234,375 2.47,376 4.77,377 2.481,378 5.295,379 1.864,380 3.232,381 2.156,382 4.759,383 2.787,384 1.879,385 2.43,386 5.13,387 1.678,388 3.16,389 1.836,390 4.618,391 2.683,392 1.727,393 2.298,394 4.963,395 1.642,396 2.707,397 1.613,398 4.31,399 2.371,400 1.422,401 1.797,402 4.013,403 1.344,404 2.618,405 1.252,406 4.106,407 2.164,408 1.223,409 1.631,410 3.361,411 1.149,412 2.5,413 1.146,414 3.414,415 2,416 1,417 1.5,418 2.275,419 1,420 2.179,421 1.105,422 3.414,423 1.967,424 1,425 1.046,426 2.275,427 0.965,428 2,429 1,430 3.292,431 0.743,432 1,433 1.782,434 0.701,435 16.705,436 0.464,437 0.882,438 0.025,439 47.5,440 1.319,441 22.5,442 0.625,443 25,444 0.694,445 29.618,446 0.823,447 0.621,448 38.901,449 1.081,450 9.736,451 0.27,452 7.725,453 0.215,454 0.084,456 0.341,458 0.673,459 1.3,460 0.715,461 1.143,462 0.516,463 0.975,464 0.777,465 0.971,466 0.846,467 0.909,468 0.519,469 0.881,470 1.032,471 1.064,472 1.087,473 1.066,474 0.961,475 1.081,476 0.677,477 0.925,478 0.935,479 1.07,480 0.612,481 1.066,482 8.328}