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{0 CHEMBL1088461,1 1,2 0.973,3 0.877,4 0.393,5 -0.235,8 1.545,10 1.718,11 8.714,12 -1.116,13 1.244,14 65.264,15 7.854,17 3.755,18 3.858,19 3.251,20 3.049,21 5.135,22 3.102,23 4.243,24 4.388,25 3.632,26 3.406,27 5.861,28 3.415,29 4.638,30 4.842,31 3.682,32 3.583,33 6.025,34 3.566,35 4.743,36 4.958,37 3.673,38 3.623,39 6.047,40 3.608,41 4.73,42 4.934,43 3.809,44 3.595,45 6.337,46 3.603,47 4.726,48 4.921,49 3.688,50 3.47,51 6.391,52 3.492,53 4.545,54 4.747,55 3.501,56 3.229,57 6.281,58 3.249,59 4.238,60 4.432,61 3.114,62 2.905,63 5.975,64 2.922,65 0.357,66 0.47,67 8.079,68 3.104,69 71.684,70 3.942,71 0.718,72 0.688,73 14.159,74 4.778,75 158.181,76 6.978,77 1.187,78 0.812,79 24.577,80 5.682,81 211.868,82 9.012,83 1.413,84 0.822,85 28.734,86 6.064,87 269.523,88 9.72,89 1.475,90 0.785,91 27.908,92 6.023,93 301.558,94 9.762,95 1.711,96 0.671,97 29.116,98 5.301,99 345.045,100 8.646,101 1.525,102 0.506,103 25.022,104 4.37,105 295.623,106 7.227,107 1.196,108 0.355,109 18.583,110 3.105,111 241.473,112 5.058,114 113,115 27,116 0.319,117 0.592,118 0.735,119 0.866,120 0.914,121 0.923,122 3.102,123 0.907,124 -0.57,125 -0.69,126 -0.83,127 28.2,129 5,132 1,134 1,140 4,142 1,143 1,144 1,145 4,146 4,147 3,148 2,150 2,152 4,153 5,154 3,155 1,156 2,157 3,158 1,159 1,161 3,162 1,163 3,164 3,165 5,166 1,167 1,168 1,169 2,170 1,171 1,172 2,173 2,174 1,175 1,176 5,177 3,178 1,179 4,180 1,181 2,182 1,183 1,184 4,185 2,186 1,187 3,188 2,189 6,190 3,191 1,192 1,193 3,194 1,195 1,196 1,197 1,198 3,199 2,200 1,201 3,202 2,203 3,204 4,205 1,206 1,207 2,208 1,210 1,211 1,212 2,213 2,214 1,215 4,216 3,217 2,218 2,219 1,220 1,221 2,222 1,223 2,224 2,225 1,226 2,227 2,228 1,229 2,230 2,231 2,232 2,233 1,234 680,235 12.612,236 12.612,237 12.612,238 12.612,239 12.612,240 11.847,241 13.164,242 7.498,243 12.705,244 9.8,245 9.8,246 9.8,247 9.8,248 9.8,249 8.622,250 11.816,251 3.496,252 9.969,253 3.567,254 2.091,255 1.321,256 0.615,257 0.359,258 0.308,259 3.704,261 335,262 5.196,265 1.442,266 54.937,267 0.75,268 0.5,269 0.67,270 0.8,271 1,272 0.5,274 0.6,275 51,276 183,277 4.484,278 4.1,279 7.418,280 4.379,281 3.418,282 3.591,283 2.424,284 12.899,285 3.275,286 3.88,287 3.766,288 5.928,289 3.677,290 2.688,291 3.046,292 2.374,293 8.183,294 2.643,295 3.549,296 3.596,297 4.662,298 3.235,299 2.23,300 2.709,301 2.341,302 5.182,303 2.216,304 3.445,305 3.553,306 4.593,307 3.054,308 2.047,309 2.597,310 2.341,311 4.881,312 2.027,313 2.898,314 2.776,315 4.51,316 2.559,317 1.555,318 1.869,319 0.702,320 3.586,321 1.541,322 2.494,323 2.006,324 3.87,325 2.308,326 1.319,327 1.45,328 0.159,329 2.914,330 1.283,331 2.287,332 1.584,333 3.361,334 1.99,335 1,336 1.162,338 2.307,339 0.968,340 1.446,341 0.852,342 3,343 1.338,344 0.342,345 0.357,346 2.757}
{0 CHEMBL141272,1 1,2 1.496,3 0.788,4 0.392,5 -0.606,8 1.441,10 2.038,11 3.375,12 1.57,13 2.466,14 28.814,15 9.844,16 0.625,17 2.675,18 2.702,19 2.574,20 2.491,21 4.012,22 2.5075,23 2.974,24 2.999,25 2.884,26 2.822,27 4.546,28 2.7665,29 3.04,30 3.149,31 2.628,32 2.458,33 4.407,34 2.879,35 2.776,36 2.895,37 1.993,38 1.914,39 4.295,40 2.587,41 2.446,42 2.68,43 0.587,44 1.254,45 3.555,46 2.0405,47 1.515,48 1.922,49 0.028,50 0.457,51 1.609,52 1.316,58 0.485,64 0.065,65 0.178,66 0.228,67 2.014,68 1.863,69 16.202,70 2.517,71 0.168,72 0.332,73 3.519,74 3.321,75 22.535,76 4.164,77 0.149,78 0.327,79 7.525,80 3.304,81 19.212,82 5.643,83 0.129,84 0.249,85 5.312,86 2.5,87 16.454,88 5.12,89 0.116,90 0.132,91 3.121,92 1.202,93 20.86,94 2.59,95 0.025,96 0.059,97 2.164,98 0.648,99 5.208,100 1.456,106 0.7585,112 0.154,113 1,114 6,115 10,116 0.515,117 0.727,118 0.819,119 0.858,120 0.858,121 0.858,122 2.264,123 1.155,124 -0.77,125 -0.89,126 -1,127 30.8,135 2,138 1,139 1,147 1,156 2,165 4,176 2,234 36,235 5.19,236 5.19,237 5.19,238 5.19,239 5.19,240 4.593,242 3.194,243 5.586,244 3.934,245 3.934,246 3.934,247 3.934,248 3.934,249 3.074,251 1.492,252 4.556,253 1.662,254 0.827,255 0.462,256 0.308,257 0.308,258 0.308,259 2.799,261 51,262 1.871,263 19.667,265 0.625,266 9.914,267 1,268 0.83,269 0.83,270 0.6,272 1,273 1,274 0.75,275 17.5,276 27,277 4.041,278 2.746,279 5.917,280 3.592,281 2.746,282 3.56,284 8.156,285 2.299,286 2.951,287 1.665,288 4,289 2.597,290 1.665,291 2.058,293 3.6,294 1.537,295 2.118,296 0.736,297 3,298 1.675,299 0.736,300 0.959,302 1.646,303 0.677,304 2.076,305 0.618,306 3,307 1.46,308 0.618,309 0.927,311 1.372,312 0.505,313 0.064,314 -1,315 1.68,317 -1,318 -1,320 -2,321 -1,323 -1.26,324 1,325 -0.397,326 -1.26,327 -1.483,329 -2.875,330 -1.052,331 -0.118,332 -1.618,333 1,334 -0.744,335 -1.618,336 -2.427,338 -4.372,339 -1.273,340 -0.632,341 -1.886,342 0.402,343 -1.083,344 -1.886,345 -2.594,346 4.105}
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{0 CHEMBL1560,2 0.743,3 0.928,4 0.427,5 -0.08,6 1,7 1,8 1.688,9 4.034,10 1.689,11 5.643,12 0.749,13 0.561,14 54.808,15 7.494,17 3.435,18 3.546,19 2.975,20 2.925,21 4.54,22 2.864,23 4.012,24 4.196,25 3.307,26 3.309,27 5.162,28 3.216,29 4.324,30 4.553,31 3.412,32 3.437,33 5.419,34 3.318,35 4.337,36 4.544,37 3.425,38 3.32,39 5.651,40 3.254,41 4.163,42 4.354,43 3.107,44 3.225,45 5.603,46 3.085,47 4.114,48 4.398,49 2.873,50 3.152,51 5.048,52 2.855,53 3.838,54 4.148,55 2.372,56 2.495,57 5.03,58 2.176,59 2.525,60 2.899,61 0.414,62 1.187,63 3.267,64 0.839,65 0.056,66 0.4,67 7.297,68 3.026,69 13.138,70 3.78,71 0.26,72 0.641,73 14.138,74 4.826,75 46.871,76 6.486,77 0.373,78 0.754,79 19.838,80 6.114,81 52.454,82 8.216,83 0.498,84 0.681,85 23.517,86 5.536,87 93.964,88 7.071,89 0.568,90 0.573,91 16.797,92 5.249,93 123.616,94 6.561,95 0.232,96 0.56,97 19.817,98 6.149,99 46.441,100 7.552,101 0.402,102 0.316,103 19.151,104 3.82,105 76.91,106 4.533,107 0.093,108 0.072,109 4.493,110 0.917,111 16.038,112 1.223,114 32,115 19,116 0.341,117 0.618,118 0.864,119 0.892,120 0.892,121 0.892,122 2.733,123 1.146,124 -1.87,125 -1.93,126 -1.93,127 31,128 1,129 2,130 1,131 2,132 1,140 2,145 1,146 1,147 2,149 1,150 4,151 1,152 1,157 1,160 1,161 3,163 1,165 1,169 1,172 3,173 1,176 1,178 2,179 1,183 1,184 1,187 1,189 1,192 2,193 1,198 1,203 1,234 188,235 8.975,236 8.975,237 8.975,238 8.975,239 8.975,240 8.687,241 10.187,242 5.178,243 9.091,244 6.763,245 6.763,246 6.763,247 6.763,248 6.763,249 6.233,250 9.615,251 2.28,252 6.96,253 3.169,254 1.797,255 0.578,256 0.44,257 0.44,258 0.44,259 3.331,260 1,261 150,262 3.317,263 41.75,265 0.837,266 24.41,267 1,268 1,269 1,270 1,271 1,272 1,273 1,274 1,275 31.5,276 79,277 4.239,278 3.945,279 6.693,280 4.086,281 3.122,282 3.39,283 2.378,284 10.681,285 3.005,286 3.732,287 3.669,288 5.839,289 3.532,290 2.529,291 2.886,292 1.938,293 7.647,294 2.522,295 3.027,296 3.262,297 4.827,298 2.814,299 1.841,300 2.03,301 0.594,302 4.83,303 1.771,304 2.481,305 2.531,306 3.81,307 2.297,308 1.308,309 1.414,311 2.94,312 1.281,313 1.886,314 1.604,315 3.286,316 1.72,317 0.733,318 0.792,320 1.744,321 0.713,322 1.826,323 1.278,324 3.249,325 1.596,326 0.618,327 0.685,329 1.332,330 0.586,331 1.193,332 1.114,333 2.282,334 0.955,335 0.081,336 0.087,338 0.114,339 0.069,340 0.483,341 0.424,342 1.759,343 0.066,344 -1,345 -1.066,346 5.611}
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