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0.864,112 0.891,113 0.901,114 3.471,115 0.882,116 -4.34,117 -4.28,118 -4.03,120 46.8,126 1,135 11,136 2,137 5,148 3,156 1,158 1,159 9,160 1,162 3,163 3,165 6,166 12,167 1,169 1,170 6,172 1,174 7,175 1,176 7,177 2,180 8,183 1,184 1,185 6,187 4,188 1,191 9,192 1,196 2,198 6,199 1,202 1,203 8,205 2,206 1,207 4,210 9,211 2,214 3,218 2,219 8,220 2,222 1,223 3,226 1,228 5,231 10,234 1,237 1,239 2,240 1,241 7,243 1654,244 20.43,245 20.43,246 20.43,247 20.43,248 20.43,249 17.736,250 22.569,251 12.067,252 20.855,253 16.25,254 16.25,255 16.25,256 16.25,257 16.25,258 12.18,259 28.501,260 5.716,261 17.03,262 3.781,263 2.018,264 1.182,265 0.431,266 0.271,267 0.213,268 4.15,269 2,271 1,272 1,273 925,274 4.062,276 365.096,279 2.412,280 47.202,282 1,283 0.83,284 1,285 0.4,287 1,288 1,289 0.75,290 68.667,291 441,292 4.348,293 3.637,294 6.425,295 3.99,296 3,297 3.949,298 2.03,299 9.841,300 2.962,301 4.232,302 3.624,303 6.06,304 3.791,305 2.86,306 3.88,307 1.437,308 8.709,309 2.785,310 4.164,311 3.538,312 6.019,313 3.759,314 2.784,315 3.755,316 1.058,317 8.551,318 2.551,319 3.827,320 3.281,321 5.464,322 3.505,323 2.522,324 3.138,325 0.892,326 7.306,327 2.455,328 3.509,329 2.767,330 4.972,331 3.107,332 2.163,333 2.797,334 0.141,335 5.867,336 2.076,337 3.419,338 2.628,339 4.928,340 2.958,341 2.035,342 2.655,344 5.502,345 1.897,346 3.338,347 2.542,348 4.781,349 2.905,350 1.918,351 2.568,352 5.235,353 1.717,354 2.951,355 2.2,356 4.165,357 2.507,358 1.522,359 2.118,360 3.753,361 1.496,362 2.846,363 1.887,364 4.076,365 2.355,366 1.461,367 1.975,368 3.529,369 1.236,370 2.705,371 1.538,372 3.679,373 2.199,374 1.181,375 1.702,376 2.887,377 1.192,378 2.532,379 1.371,380 3.466,381 4.318} {0 CHEMBL1336680,1 1.139,2 0.196,3 1.659,4 12.824,5 5.45,6 29.706,7 127.962,8 8.859,9 0.632,10 4.096,11 4.177,12 3.842,13 3.742,14 5.322,15 3.722,16 4.569,17 4.673,18 4.223,19 4.118,20 5.871,21 4.078,22 4.813,23 4.96,24 4.328,25 4.22,26 6.007,27 4.171,28 4.848,29 5.023,30 4.258,31 4.156,32 6.044,33 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3.469,338 2.675,339 5.223,340 3.069,341 2.118,342 2.705,343 0.146,344 6.336,345 2.034,346 3.321,347 2.544,348 4.793,349 2.889,350 1.958,351 2.606,352 5.396,353 1.786,354 3.266,355 2.429,356 4.606,357 2.779,358 1.808,359 2.55,360 4.802,361 1.734,362 2.911,363 2.142,364 4.4,365 2.53,366 1.575,367 2.066,368 4.282,369 1.496,370 2.863,371 1.887,372 3.779,373 2.389,374 1.408,375 2.009,376 3.012,377 1.37,378 2.756,379 1.804,380 3.671,381 4.454} {0 CHEMBL1353738,1 0.957,2 0.253,3 1.755,4 10.765,5 3.504,6 12.275,7 131.077,8 9.196,9 0.289,10 4.125,11 4.194,12 3.923,13 3.763,14 5.339,15 3.73,16 4.648,17 4.759,18 4.357,19 4.193,20 5.896,21 4.134,22 4.888,23 5.016,24 4.517,25 4.327,26 6.135,27 4.269,28 4.932,29 5.068,30 4.49,31 4.326,32 6.244,33 4.256,34 4.899,35 5.044,36 4.508,37 4.272,38 6.219,39 4.214,40 4.889,41 5.014,42 4.414,43 4.238,44 6.326,45 4.195,46 4.879,47 5.006,48 4.385,49 4.223,50 6.205,51 4.172,52 4.853,53 4.964,54 4.45,55 4.202,56 6.447,57 4.138,58 0.168,59 0.727,60 8.038,61 5.306,62 22.826,63 5.208,64 0.469,65 1.266,66 19.945,67 9.669,68 56.316,69 9.893,70 0.568,71 1.586,72 29.598,73 12.565,74 67.564,75 12.405,76 0.739,77 1.66,78 32.228,79 13.271,80 99.771,81 13.11,82 0.76,83 1.625,84 33.126,85 12.609,86 80.348,87 12.017,88 0.952,89 1.551,90 25.559,91 11.07,92 122.275,93 10.415,94 0.768,95 1.491,96 28.818,97 12.067,98 99.394,99 10.876,100 0.952,101 1.461,102 32.145,103 12.885,104 168.809,105 12.13,106 43,107 56,108 0.287,109 0.695,110 0.839,111 0.878,112 0.896,113 0.896,114 3.561,115 0.982,116 -4.19,117 -4.13,118 -3.9,120 44.4,122 4,125 1,126 1,130 1,131 1,132 1,133 1,135 3,136 3,137 2,144 1,145 1,147 1,148 3,156 1,158 1,159 8,161 2,162 9,163 1,165 2,166 12,167 1,170 12,174 3,176 11,179 2,180 10,183 1,185 1,187 5,188 1,190 1,191 13,192 2,194 1,196 2,198 8,199 1,202 4,203 8,205 3,207 1,210 7,213 1,214 4,215 2,218 1,219 9,220 3,222 2,223 8,226 4,228 4,231 10,232 2,234 2,235 7,239 3,240 1,241 6,242 3,243 1924,244 22.886,245 22.886,246 22.886,247 22.886,248 22.886,249 20.625,250 28.959,251 13.126,252 23.545,253 18.677,254 18.677,255 18.677,256 18.677,257 18.677,258 14.795,259 32.588,260 6.173,261 19.702,262 4,263 1.504,264 0.621,265 0.384,266 0.273,267 0.273,268 4.266,272 1,273 801,274 3.873,275 54.431,276 288.068,277 201.034,278 100.304,279 1.557,280 56.222,282 1,283 0.83,284 1,285 0.6,286 0.5,287 0.83,288 1,289 0.82,290 75,291 366,292 4.706,293 4.497,294 7.053,295 4.332,296 3.378,297 4.384,298 3.412,299 12.122,300 3.231,301 4.468,302 3.838,303 6.641,304 4.1,305 3.108,306 4.073,307 2.114,308 10.612,309 3.092,310 4.261,311 3.618,312 6.492,313 3.867,314 2.921,315 3.746,316 1.257,317 10.061,318 2.749,319 3.839,320 3.574,321 5.817,322 3.448,323 2.472,324 3.198,325 0.86,326 7.818,327 2.403,328 3.725,329 3.161,330 5.658,331 3.34,332 2.399,333 2.971,334 0.78,335 7.457,336 2.242,337 3.527,338 2.928,339 5.452,340 3.152,341 2.175,342 2.778,343 0.219,344 6.689,345 2.101,346 3.491,347 2.878,348 5.187,349 3.073,350 2.135,351 2.696,352 6.27,353 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