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{1 -0.099,2 5.234,3 5.234,4 14.478,5 23.38,6 25.006,7 8.234,8 4.262,9 4.276,10 5.234,11 8.289,12 0.095,13 0.057,14 11,15 4,16 1.317,17 0.888,18 0.17,19 -0.1,21 14.693,22 0.212,23 0.034,24 1.668,25 0.536,26 4.637,27 4.847,28 0.498,29 63.204,30 1.818,31 2.122,32 86,33 -1.2,34 -1.29,35 -1.36,36 4,37 1,40 10,41 8,42 4,43 1,44 1,45 9,46 7,47 2,48 11,49 5,50 3,51 11,52 18,53 6,54 21,55 2,56 8,57 14,58 6,59 2,60 15,61 5,62 5,63 17,64 28.245,65 184.997,66 459.484,67 557.54,68 436.901,69 0.5,70 5.063,71 4.65,72 4.433,73 4.012,74 3.018,75 4.149,76 6.659,77 4.057,78 3.075,79 3.637,80 10.479,81 2.97,82 4.036,83 6.041,84 3.616,85 8.452,86 6.006,87 3.282,88 8.311,89 5.818,90 3.161,91 7.643,92 5.798,93 7.613,94 3.483,95 5.48,96 2.774,97 7.309,98 3.424,99 2.556,100 5.37,101 2.164,102 2.763,103 6.381,104 2.094,105 3.373,106 2.535,107 5.202,108 2.996,109 2.033,110 2.66,111 6.237,112 1.965,113 3.353,114 2.486,115 5.18,116 2.957,117 1.983,118 2.427,119 5.896,120 1.897,121 3.182,122 2.139,123 5.101,124 2.928,125 1.967,126 2.334,127 5.777,128 1.878,129 3.034,130 4.983,131 2.707,132 1.719,133 2.135,134 5.602,135 1.685,136 2.949,137 4.838,138 2.513,139 1.528,140 2.045,141 4.716,142 1.501,143 61.5,144 28.5,145 67.447,146 1.376,147 12.413,149 0.507,150 0.781,151 0.81,152 0.766,153 0.838,154 0.875,155 5.451,156 4.201,157 3.207,158 2.314,159 1.656,160 1.504,161 1.054,162 1,163 9,164 5.206,165 1.668,166 1.491,167 0.072,168 0.438,169 0.5,170 -0.076,171 -0.028,172 -0.094,173 0.145,174 0.172,175 7.328,176 -0.032,177 4.466,178 4.868,179 5.257,180 5.635,181 5.945,182 6.28,183 6.612,184 6.88,185 7.132,186 5.652,187 6.572,188 7.516,189 8.461,190 9.419,191 10.38,192 11.348,193 12.318,194 13.293,195 1,196 2,197 8,198 10,199 1,200 1,201 30,202 2,203 32,204 4,205 24,206 14,207 10,208 2,209 8,210 27,211 4,212 26,215 2,216 9,217 1,218 2,219 3,220 2,221 3,222 5,223 3,226 5,227 1,228 3,229 7,230 5,231 2,232 6.186,233 1.584,234 16.785,235 4.304,236 5.014,237 5.752,238 6.516,239 7.258,240 7.904,241 8.595,242 9.263,243 9.821,244 10.373,245 99,246 371.292,247 5.107,248 326.427,249 20.348,250 371.292,251 224.417,252 0.36,253 135.782,254 413.481,255 371.292,256 413.481,257 47,258 23,259 626.299,260 35,261 2.583,262 392.182,263 3.232,264 1.2,265 333.457,266 73,268 5.608,269 6.608,270 7.643,271 5.153,272 5.704,273 7.546,274 5.099,275 6.862,276 8.247,277 7.613,278 4.934,279 5.76,280 8.665,281 4.853,282 8.221,283 2.164,284 9.983,285 7.309,286 6.872,287 8.07,288 11.867,289 6.773,290 9.617,291 2.033,292 11.776,293 6.381,294 7.462,295 8.979,296 7.337,297 11.049,298 1.983,299 13.606,300 6.237,301 8.91,302 10.821,303 8.771,304 12.508,305 1.967,306 15.462,307 5.896,308 9.862,309 12.129,310 9.702,311 13.989,312 1.719,313 17.34,314 5.777,315 11.149,316 13.813,317 10.976,318 1.528,319 5.602,320 12.263,321 15.305,322 12.074,323 4.716,324 13.505,325 16.942,326 13.304,327 18.515,328 3.075,329 4.65,330 20.142,331 15.703,332 10.479,333 4.012,334 21.75,335 16.914,336 8.452,337 3.637,338 18.146,339 8.311,340 3.616,341 19.377,342 37.052,343 87.077,344 92.608,345 92.772,346 86.736,347 86.855,348 112.889,349 276.33,350 84.225,351 6.063,352 4.34,353 4.36,354 4.02,355 4.042,356 3.99,357 3.943,358 3.951,359 3.942,360 3.974,361 3.876,362 3.854,363 3.868,364 3.778,365 3.682,366 0.078,367 5.063,368 1.929,369 1.904,370 1.918,371 1.9,372 2.022,373 2.011,374 1.866,375 1.839,376 2.008,377 2.002,378 6.125,379 3.434,380 7.721,381 6.009,382 9.413,383 11.162,384 71.699,385 -0.736,386 11.822,387 -8.129,388 10.6,389 45,390 13.768,391 5.044,392 4.17,393 0.137,394 703380,395 20.763,396 20.763,397 18.062,398 18.062,399 6.789,400 15.86,401 15.86,402 5.015,403 0.208,404 0.164,405 0.398,406 284,407 919.946,408 1169.86,409 804,410 357,411 856.709,412 397.087,413 852.406,414 1291.28,415 807,416 4.832,417 0.995,418 1.071,419 1.118,420 7.25,421 12.15,422 18.369,423 22.68,424 18,425 14,426 4.612,427 3.625,428 3.578,429 3.499,430 1.084,431 0.158,432 -0.023,433 0.181,434 0.002,435 3.625,436 5.625,437 5.578,438 4.612,439 3.625,440 3.578,441 15,442 -0.017,443 1.918,444 6,445 2,453 9.811,455 7.408,456 1.918,457 8.49,459 27.435,460 27.435,461 27.435,462 27.435,463 27.435,464 3.97,465 3.769,466 2.963,467 2.658,468 2.261,469 3.137,470 33,471 0.675,472 0.939,474 0.056,475 4.043,476 4.043,477 56,480 102.278,481 15.759,482 2.261,483 3.54,484 4.68,485 5.93,486 7.215,487 8.511,488 2.016,489 3.872,490 3.767,491 3.737,492 3.631,493 3.65,494 4.727,496 0.519,497 0.018,498 20.538,499 86,500 0.614,501 0.762,503 2.199,504 1.21,505 4.062,506 7.502,507 13.921,508 0.904,509 0.885,510 0.925,511 1.077,512 0.055,513 0.003,514 0.012,515 -0.04,516 -0.044,517 -0.134,518 30,521 0.081,522 0.808,523 21.565,524 24.057,525 13.921,526 26.658,527 29.218,528 15.929,529 31.818,530 26.938,531 17.151,532 34.408,533 28.887,534 37.015,535 30.843,536 39.622,537 21.921,538 7.447,539 7.502,540 13.921,541 12,542 0.004,543 14.286,544 170.07,545 4.54,546 4.62,547 4.187,548 4.029,549 5.78,550 4.065,551 5.066,552 5.166,553 4.48,554 6.297,555 4.509,556 4.644,557 4.668,558 5.506,559 5.663,560 4.675,561 6.837,562 4.693,563 4.878,564 4.667,565 4.703,566 4.73,567 4.764,568 5.557,569 5.689,570 4.957,571 4.802,572 6.908,573 4.825,574 4.818,575 4.823,576 1.141,577 0.911,578 1.888,579 93.998,580 2.428,581 16.315,582 196.039,583 2.657,584 49.848,585 17.695,586 252.069,587 2.066,588 49.524,589 215.692,590 2.669,591 41.974,592 16.716,593 1.88,594 2.851,595 47.286,596 19.006,597 194.997,598 20.563,599 2.129,600 50.694,601 20.31,602 251.973,603 3.916,604 0.823,607 6.222}
{0 CHEMBL289665,1 -0.053,2 4.713,3 4.713,4 14.382,5 21.935,6 23.451,7 7.713,8 4.084,9 4.095,10 4.713,11 7.081,12 0.096,13 0.059,14 8,15 2,16 1.349,17 1.445,18 0.176,19 -0.058,20 1,21 14.697,22 0.402,23 0.071,24 1.591,25 0.297,26 4.234,27 4.419,28 0.105,29 14.181,30 0.661,31 0.822,32 58,33 -3.01,34 -3.01,35 -2.9,38 1,39 2,40 2,41 3,45 3,46 3,48 5,49 1,51 3,52 9,53 2,54 8,56 1,57 2,58 1,60 5,63 2,64 18.765,65 28.882,66 224.744,67 110.6,69 0.8,70 4.84,71 4.186,72 4.374,73 3.81,74 2.989,75 4.035,76 6.369,77 3.699,78 2.718,79 3.347,80 9.517,81 2.665,82 3.713,83 5.946,84 3.061,85 8.117,86 5.613,87 3.02,88 7.122,89 5.556,90 2.444,91 6.646,92 5.131,93 5.533,94 2.944,95 4.778,96 1.966,97 4.701,98 2.769,99 1.792,100 4.491,101 1.478,102 1.793,103 3.999,104 1.403,105 2.459,106 1.728,107 4.178,108 2.275,109 1.326,110 1.454,111 2.999,112 1.249,113 2.249,114 1.652,115 3.676,116 2.016,117 1.032,118 1.162,119 2.891,120 1.009,121 1.973,122 1.475,123 3.64,124 1.703,125 0.773,126 0.874,127 1.771,128 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