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2.396,114 3.174,115 0.847,116 2.977,117 0.818,118 2.784,119 0.579,120 2.595,121 2.49,122 0.039,123 0.783,124 0.196,125 13.5,126 33.702,127 1.465,128 26.633,129 0.358,130 0.084,131 0.388,132 0.5,133 1.158,134 0.792,135 0.759,136 7,137 5.333,138 3.194,139 0.7,140 0.356,141 0.227,142 0.08,143 4833,144 2.996,145 62.134,146 4.218,147 2.525,148 4.494,149 3.096,150 783.182,151 303.58,152 1.837,153 -0.098,154 0.133,155 0.14,156 0.147,157 5.147,158 15.497,159 3.296,160 4.143,161 5.447,162 5.442,163 3.296,164 11.581,165 12.547,167 53,168 26,169 56,170 4,171 2,172 2,173 8,174 4,175 8,176 17,177 4,178 30,180 3,181 2,182 8,183 4,184 2,185 12.333,186 10.25,187 4.75,188 1.067,189 5.226,190 5.464,191 5.707,192 48,193 17.693,194 46.833,195 0.001,196 403.423,197 0.62,198 11,199 0.018,200 3,201 0.353,202 17,203 473.104,204 51.909,205 59.647,206 4.787,207 5.948,208 4.514,209 6.978,210 7.664,211 4.511,212 4.691,213 8.591,214 4.537,215 9.503,216 2.396,217 6.33,218 11.74,219 6.353,220 8.807,221 11.416,222 7.186,223 7.439,224 14.118,225 7.21,226 10.253,227 13.376,228 8.613,229 16.929,230 8.634,231 11.722,232 15.367,233 9.758,234 10.07,235 19.531,236 9.777,237 13.209,238 17.38,239 11.082,240 22.257,241 11.099,242 3.718,243 19.407,244 12.325,245 24.924,246 12.342,247 3.525,248 15.052,249 21.445,250 13.624,251 27.628,252 13.64,253 14.429,254 23.491,255 14.901,256 30.314,257 14.916,258 25.541,259 16.195,260 33.012,261 16.211,262 27.596,263 2.93,264 17.484,265 35.705,266 17.5,267 1.862,268 6.299,269 29.654,270 18.779,271 38.403,272 18.795,273 1.594,274 5.322,275 31.714,276 2.297,277 20.073,278 41.098,279 20.09,280 4696,281 16.701,282 33.33,283 43.878,284 5.75,285 5.91,286 7.22,287 5.719,288 5.718,289 6.403,290 23.794,291 12.889,292 1.606,293 1.575,294 1.705,295 5.281,296 1.593,297 4.15,298 3.893,299 3.926,300 3.807,301 3.809,302 7.425,303 3.803,304 3.571,305 3.462,306 3.427,307 3.419,308 3.492,309 3.242,310 3.288,311 3.266,312 3.849,313 3.246,314 3.049,315 3.83,316 3.101,317 3.197,318 3.731,319 3.008,320 3.095,321 3.695,322 0.183,323 4.75,324 0.148,325 3.91,326 7.962,327 4.719,328 3.718,329 15.052,330 3.721,331 2.052,332 2.02,333 2.145,334 1.351,335 1.252,336 1.37,337 1.317,338 1.284,339 1.215,340 1.508,341 1.544,342 1.39,343 1.251,344 3.97,345 4.844,346 8.793,347 7.066,348 10.597,349 30.332,350 62.134,351 136.434,352 223.541,353 47.682,354 23,355 13.028,356 67,357 68,358 0.254,359 332.08,360 14.86,361 9.576,362 9.2,363 7.537,364 9.604,365 0.262,366 9.254,367 9.806,368 0.136,369 9.806,370 0.083,371 7.227,372 0.376,373 0.245,374 0.77,375 255.471,376 249.316,377 232,378 3.407,379 3.893,380 4.052,381 3.771,382 13.213,383 8.476,384 16.084,385 40.773,386 42,387 3.191,388 1.108,389 8,390 31,391 11.84,392 4.556,393 48,394 3.821,395 3.53,396 3.768,397 4.979} {0 CHEMBL110739,1 8.8,3 4.081,4 4.198,5 3.633,6 5.013,7 3.573,8 4.748,9 4.923,10 4.179,11 5.582,12 5.199,13 5.402,14 4.199,15 4.504,16 6.098,17 4.379,18 5.456,19 5.699,20 4.234,21 4.623,22 6.271,23 4.462,24 5.569,25 5.847,26 4.534,27 6.436,28 5.395,29 5.703,30 6.28,31 4.989,32 5.286,33 5.966,34 0.735,35 6.311,36 1.356,37 26.369,38 11.728,39 2.002,40 41.81,41 17.363,42 23.898,43 0.346,44 2.438,45 53.684,46 21.24,47 75.513,48 29.946,49 0.712,50 2.44,51 61.103,52 21.114,53 130.209,54 30.299,55 0.831,56 0.585,57 34.101,58 61.529,59 4,60 2,61 18,62 30,63 29,64 6,65 15.928,66 13.665,67 13.665,68 13.665,69 13.665,70 13.665,71 13.63,72 3.955,73 477,74 35.792,75 119.29,76 59.214,77 132.084,78 1.424,79 38.265,80 1,81 220,82 4.781,83 3.947,84 8.003,85 4.75,86 3.751,87 15.287,88 3.746,89 4.583,90 7.844,91 4.531,92 3.529,93 14.539,94 2.986,95 5.889,96 3.311,97 5.521,98 2.355,99 6.798,100 2.326,101 5.128,102 3.121,103 2.113,104 6.065,105 2.1,106 4.83,107 2.741,108 1.743,109 4.941,110 1.736,111 4.399,112 2.041,113 2.948,114 3.267,115 1.449,116 3.174,117 1.1,118 2.821,119 0.828,120 2.77,121 2.597,122 0.038,123 0.78,124 0.18,125 15,126 36.39,127 1.456,128 29.567,129 0.47,130 0.099,131 0.373,132 0.725,133 1.17,134 0.936,135 0.821,136 7.5,137 5.556,138 3.757,139 0.842,140 0.384,141 0.264,142 0.096,143 5839,144 3.056,145 70.529,146 4.554,147 2.699,148 4.612,149 3.16,150 948.036,151 317.975,152 1.842,153 -0.093,154 0.042,155 0.104,156 0.087,157 5.29,158 17.76,159 3.367,160 4.22,161 5.583,162 5.58,163 3.367,164 11.692,165 12.667,167 55,168 28,169 58,170 4,171 2,172 2,173 8,174 4,175 8,176 17,177 4,178 30,180 3,181 2,182 8,183 5,184 2,185 13.667,186 9.983,187 5.278,188 1.063,189 5.328,190 5.572,191 5.802,192 53,193 18.668,194 58.167,196 465.247,197 0.614,198 12,199 0.034,200 3,201 0.353,202 17,203 523.568,204 54.563,205 62.066,206 4.852,207 6.019,208 4.941,209 7.054,210 7.735,211 4.575,212 4.745,213 8.647,214 4.587,215 9.572,216 2.948,217 6.395,218 11.817,219 6.403,220 8.865,221 11.481,222 7.245,223 7.491,224 14.187,225 7.255,226 10.309,227 13.438,228 8.671,229 17.013,230 8.678,231 11.777,232 15.427,233 9.815,234 10.121,235 19.619,236 9.821,237 13.264,238 17.438,239 11.141,240 22.36,241 11.144,242 3.751,243 19.464,244 12.387,245 25.036,246 12.389,247 3.529,248 15.287,249 21.502,250 13.69,251 27.754,252 13.691,253 14.539,254 23.549,255 14.973,256 30.453,257 14.971,258 25.601,259 16.273,260 33.165,261 16.27,262 27.658,263 2.986,264 17.569,265 35.871,266 17.565,267 2.113,268 6.798,269 29.718,270 18.87,271 38.582,272 18.865,273 1.743,274 6.065,275 31.781,276 2.355,277 20.172,278 41.292,279 20.165,280 5725,281 17.8,282 34.239,283 47.791,284 5.781,285 5.947,286 7.547,287 5.75,288 5.751,289 6.424,290 24.049,291 14.83,292 1.591,293 1.555,294 1.674,295 5.236,296 1.558,297 4.15,298 3.894,299 3.926,300 3.81,301 3.808,302 7.426,303 3.803,304 3.584,305 3.49,306 3.433,307 3.432,308 3.496,309 3.268,310 3.288,311 3.272,312 4.483,313 3.249,314 3.063,315 4.276,316 3.117,317 3.204,318 3.834,319 3.026,320 3.103,321 3.741,322 0.171,323 4.781,324 0.139,325 3.947,326 8.003,327 4.75,328 3.751,329 15.287,330 3.746,331 2.048,332 2.019,333 2.145,334 1.349,335 1.253,336 1.371,337 1.318,338 1.274,339 1.218,340 1.519,341 1.539,342 1.409,343 1.259,344 4.043,345 4.844,346 8.866,347 7.066,348 10.678,349 31.761,350 70.529,351 163.228,352 250.491,353 70.266,354 23,355 13.143,356 76,357 80,358 0.252,359 349.66,360 15.332,361 9.799,362 9.494,363 7.721,364 9.865,365 0.26,366 9.42,367 10.572,368 0.126,369 10.572,370 0.076,371 7.326,372 0.373,373 0.237,374 0.769,375 329.77,376 312.649,377 290,378 3.494,379 3.976,380 4.09,381 4.063,382 13.536,383 8.319,384 15.867,385 51.438,386 45,387 3.27,388 1.057,389 7,390 22,391 12.755,392 4.499,393 54,394 3.843,395 3.534,396 3.824,397 5.31} {0 CHEMBL135,1 7.5,2 0.261,3 3.869,4 3.987,5 3.454,6 4.764,7 3.388,8 4.509,9 4.682,10 3.985,11 5.302,12 4.947,13 5.165,14 3.894,15 4.252,16 5.725,17 4.111,18 5.137,19 5.398,20 3.729,21 4.285,22 5.849,23 4.086,24 5.107,25 5.423,26 4.109,27 5.715,28 4.793,29 5.113,30 5.485,31 4.346,32 4.645,33 5.178,34 0.582,35 5.035,36 1.076,37 20.736,38 9.394,39 1.565,40 32.09,41 13.673,42 18.93,43 0.297,44 1.792,45 38.53,46 15.716,47 39.027,48 22.095,49 0.274,50 1.653,51 36.669,52 14.619,53 34.607,54 21.02,55 0.241,56 0.172,57 17.448,58 22.107,59 3,60 1,61 17,62 26,63 29,64 4,65 12.659,66 11.293,67 11.293,68 11.293,69 11.293,70 11.293,71 11.435,72 3.756,73 336,74 27.095,75 86.643,76 44.303,77 95.835,78 1.3,79 17.031,80 0.98,81 150,82 4.644,83 3.684,84 7.865,85 4.629,86 3.634,87 14.565,88 3.613,89 4.342,90 6.739,91 4.089,92 3.093,93 10.945,94 2.938,95 5.319,96 3.026,97 4.889,98 2.133,99 5.24,100 1.854,101 4.757,102 2.626,103 1.654,104 4.504,105 1.604,106 4.401,107 2.361,108 1.378,109 3.889,110 1.349,111 3.761,112 1.634,113 1.523,114 2.723,115 0.789,116 2.491,117 0.626,118 2.456,119 0.224,120 2.362,121 2.174,122 0.033,123 0.925,124 0.325,125 12,126 23.615,127 1.181,128 22.733,129 0.456,130 0.123,131 0.356,132 0.947,133 1.165,134 0.852,135 0.838,136 5,137 4,138 2.167,139 0.483,140 0.231,141 0.137,142 0.06,143 3512,144 2.88,145 53.117,146 4.352,147 2.522,148 4.295,149 2.958,150 561.997,151 240.215,152 1.675,153 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