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{1 4.58,2 4.468,3 3.969,4 19.997,5 1.409,6 46,7 177.355,8 0.462,9 0.821,10 1.682,11 10.037,12 3.884,13 15.085,14 105.742,15 8.778,16 0.767,17 3.876,18 3.685,19 3.557,20 5.067,21 3.514,22 4.342,23 3.966,24 3.915,25 5.557,26 3.863,27 4.56,28 4.722,29 3.994,30 3.994,31 5.781,32 3.931,33 4.762,34 3.908,35 3.95,36 5.751,37 3.886,38 4.601,39 4.819,40 3.857,41 3.946,42 5.646,43 3.871,44 4.499,45 4.692,46 3.898,47 3.935,48 5.602,49 3.856,50 4.493,51 4.659,52 3.897,53 3.953,54 5.719,55 3.858,56 4.594,57 4.821,58 3.718,59 3.862,60 5.71,61 3.742,62 0.057,63 0.666,64 7.483,65 3.94,66 8.578,67 4.237,68 0.115,69 1.074,70 14.667,71 6.738,72 15.682,73 7.342,74 0.247,75 1.318,76 18.974,77 8.268,78 43.026,79 8.97,80 0.275,81 1.334,82 19.434,83 7.928,84 40.885,85 8.824,86 0.302,87 1.29,88 7.981,89 39.294,90 9.967,91 0.252,92 1.223,93 17.439,94 7.486,95 31.067,96 9.636,97 0.242,98 1.216,99 16.215,100 7.987,101 27.859,102 9.813,103 0.261,104 1.31,105 21.198,106 8.944,107 39.575,108 10.966,109 11,110 42,111 0.287,112 0.569,113 0.703,114 0.795,115 0.81,116 0.81,117 3.341,118 0.988,119 -4.92,120 -4.83,121 -4.53,123 48.8,128 1,141 10,142 3,143 2,144 2,145 1,151 1,157 1,166 10,169 4,171 1,173 2,175 9,179 8,183 5,185 5,189 8,193 4,195 6,199 1,201 1,203 2,206 14,208 1,209 1,214 18,216 1,217 3,220 1,223 12,226 4,232 4,235 4,244 1123,245 18.361,246 18.361,247 18.361,248 18.361,249 18.361,250 15.561,251 4.368,252 10.837,253 18.876,254 14.814,255 14.814,256 14.814,257 14.814,258 14.814,259 10.659,260 2.498,261 5.164,262 15.642,263 3.744,264 2.087,265 1.302,266 0.762,267 0.669,268 0.669,269 4.038,271 1,272 1,273 1,274 587,275 2.646,277 74.848,278 265.59,285 1.451,286 27.251,288 1,289 1,290 1,291 1,292 0.6,294 1,295 1,296 0.8,297 58,298 271,299 4.568,300 4.698,301 6.747,302 4.172,303 3.204,304 4.301,305 2.95,306 11.08,307 3.103,308 4.196,309 3.207,310 6.1,311 3.769,312 2.819,313 3.802,315 8.88,316 2.706,317 3.986,318 2.897,319 5.879,320 3.558,321 2.592,322 3.578,324 8.043,325 2.526,326 3.913,327 2.729,328 5.772,329 3.479,330 2.553,331 3.377,333 7.837,334 2.294,335 3.621,336 2.51,337 5.054,338 3.176,339 2.229,340 3.038,342 6.071,343 2.091,344 3.253,345 2.432,346 4.69,347 2.752,348 1.805,349 2.55,351 4.948,352 1.696,353 2.997,354 1.854,355 4.272,356 2.455,357 1.527,358 2.177,360 3.75,361 1.403,362 2.727,363 1.488,364 3.913,365 2.169,366 1.23,367 1.772,369 3.032,370 1.139,371 2.5,372 1.172,373 3.711,374 2,375 1,376 1.5,378 2.575,379 1,380 2.5,381 1,382 3.456,383 2,384 1,385 1.5,387 2.275,388 1,389 2.5,390 5}
{0 CHEMBL101253,1 4.515,2 4.398,3 3.913,4 17.499,5 1.344,6 43,7 163.658,8 0.418,9 0.821,10 1.496,11 10.4,12 4.705,13 22.138,14 100.976,15 8.671,16 0.821,17 3.803,18 3.514,19 3.464,20 4.975,21 3.437,22 4.262,23 3.86,24 3.837,25 5.382,26 3.788,27 4.511,28 4.697,29 3.901,30 3.938,31 5.564,32 3.861,33 4.732,34 3.756,35 3.84,36 5.52,37 3.754,38 4.451,39 4.676,40 3.759,41 3.782,42 5.493,43 3.723,44 4.382,45 4.579,46 3.717,47 3.806,48 5.456,49 3.734,50 4.37,51 4.573,52 3.668,53 3.781,54 5.403,55 3.675,56 4.285,57 4.512,58 3.486,59 3.609,60 5.255,61 3.465,62 0.036,63 0.569,64 5.871,65 3.065,66 6.797,67 3.852,68 0.051,69 0.892,70 10.545,71 5.141,72 10.565,73 6.527,74 0.15,75 1.134,76 18.583,77 7.031,78 22.023,79 8.915,80 0.152,81 1.147,82 19.99,83 7.228,84 24.391,85 9.299,86 0.206,87 1.11,88 6.324,89 25.7,90 8.142,91 0.186,92 1.026,93 15.521,94 5.816,95 22.825,96 7.282,97 0.139,98 0.952,99 15.408,100 6.574,101 20.483,102 8.757,103 0.115,104 0.837,105 16.149,106 6.477,107 20.375,108 8.711,109 2,110 38,111 0.259,112 0.558,113 0.709,114 0.819,115 0.836,116 0.845,117 3.267,118 0.893,119 -5.43,120 -5.31,121 -4.96,123 50,125 1,141 10,142 3,143 2,144 2,145 1,146 1,162 1,166 11,169 5,171 1,173 3,175 14,179 7,181 1,183 4,185 10,189 10,193 2,195 8,199 8,203 3,206 13,208 1,209 3,213 1,214 13,216 1,217 3,222 2,223 11,226 3,232 8,235 1,237 1,241 8,244 911,245 17.361,246 17.361,247 17.361,248 17.361,249 17.361,250 14.555,251 18.364,252 10.512,253 17.698,254 13.875,255 13.875,256 13.875,257 13.875,258 13.875,259 9.836,260 28.435,261 5.06,262 14.462,263 3.826,264 2.106,265 1.23,266 0.6,267 0.5,268 0.45,269 3.972,270 1,272 1,273 1,274 572,275 2.345,278 266.179,282 101.355,285 1.856,286 13.492,288 1,289 0.75,290 1,291 1,292 0.6,294 1,295 1,296 0.76,297 52.333,298 260,299 4.596,300 3.258,301 6.707,302 4.135,303 3.153,304 4.543,305 0.68,306 10.902,307 3.096,308 4.03,309 2.961,310 5.8,311 3.622,312 2.659,313 3.625,314 0.4,315 8.069,316 2.567,317 3.92,318 2.823,319 5.423,320 3.508,321 2.531,322 3.467,324 7.166,325 2.46,326 3.64,327 2.533,328 5.255,329 3.188,330 2.251,331 3.075,333 6.536,334 2.109,335 3.404,336 2.184,337 4.905,338 2.943,339 2.007,340 2.76,342 5.669,343 1.851,344 3.274,345 1.907,346 4.658,347 2.783,348 1.831,349 2.591,351 4.855,352 1.673,353 2.887,354 1.516,355 3.792,356 2.382,357 1.44,358 2.053,360 3.102,361 1.355,362 2.777,363 1.288,364 3.598,365 2.267,366 1.281,367 1.913,369 2.852,370 1.26,371 2.5,372 1.076,373 3.562,374 2,375 1.013,376 1.5,378 2.575,379 1,380 2.5,381 1,382 3.414,383 1.994,384 1,385 1.5,387 2.275,388 0.99,389 2.465,390 5}
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{0 CHEMBL105442,1 4.473,2 4.4,3 3.884,4 12.827,5 1.26,6 41,7 180.521,8 0.284,9 0.824,10 1.983,11 9.88,12 4.908,13 24.087,14 99.228,15 12.274,16 0.444,17 3.792,18 3.775,19 3.435,20 5.022,21 3.394,22 4.273,23 4.197,24 3.786,25 5.534,26 3.708,27 4.519,28 4.69,29 4.354,30 3.863,31 6.008,32 3.773,33 4.655,34 4.497,35 3.765,36 5.852,37 3.678,38 4.37,39 4.525,40 4.097,41 3.624,42 5.907,43 3.633,44 4.392,45 4.524,46 4.225,47 3.733,48 6.046,49 3.707,50 4.409,51 4.554,52 4.266,53 3.714,54 5.974,55 3.646,56 4.31,57 4.504,58 4.362,59 3.646,60 5.56,61 3.482,62 0.19,63 0.668,64 0.871,65 3.405,66 18.075,67 3.508,68 0.379,69 1.031,70 4.693,71 6.413,72 38.569,73 6.332,74 0.857,75 1.404,76 33.685,77 9.985,78 101.366,79 8.732,80 0.789,81 1.191,82 46.152,83 9.47,84 78.619,85 7.529,86 0.793,87 1.123,88 6.22,89 106.151,90 5.258,91 0.863,92 1.152,93 19.438,94 7.893,95 106.636,96 6.804,97 0.91,98 1.123,99 11.633,100 7.74,101 109.321,102 6.234,103 0.65,104 1.068,105 22.075,106 9.053,107 79.569,108 7.243,109 26,110 38,111 0.355,112 0.704,113 0.829,114 0.891,115 0.891,116 0.891,117 3.267,118 1.004,119 -5.59,120 -5.46,121 -5.09,123 43.6,125 2,126 1,129 1,141 5,142 1,143 6,154 1,164 1,166 6,169 2,171 1,173 3,175 5,178 1,179 4,183 6,185 3,189 2,191 1,192 1,193 4,195 3,199 2,201 1,203 1,206 5,209 3,213 1,214 7,217 4,222 4,223 7,226 3,230 2,232 3,235 1,239 1,241 2,244 1031,245 16.499,246 16.499,247 16.499,248 16.499,249 16.499,250 14.722,251 16.843,252 9.551,253 17.054,254 13.256,255 13.256,256 13.256,257 13.256,258 13.256,259 10.619,260 19.271,261 4.509,262 14.337,263 3.302,264 1.356,265 0.657,266 0.308,267 0.308,268 0.308,269 3.932,270 1,272 1,273 1,274 524,275 3.317,276 51.118,278 170.887,285 1.485,286 42.023,289 0.75,290 0.83,291 1,292 0.8,293 0.5,294 1,295 1,296 0.84,297 55.733,298 247,299 4.52,300 4.041,301 6.732,302 4.133,303 3.167,304 4.211,305 2.095,306 10.87,307 3.063,308 4.208,309 3.49,310 6.052,311 3.738,312 2.821,313 3.862,314 0.776,315 8.685,316 2.636,317 3.839,318 3.218,319 5.862,320 3.652,321 2.662,322 3.193,323 0.4,324 7.781,325 2.547,326 3.654,327 3.189,328 5.492,329 3.461,330 2.496,331 2.787,333 7.387,334 2.371,335 3.475,336 2.638,337 5.038,338 2.985,339 2.138,340 2.658,342 5.926,343 1.771,344 3.169,345 2.623,346 4.887,347 2.738,348 1.829,349 2.366,351 5.201,352 1.487,353 2.872,354 2.437,355 4.209,356 2.474,357 1.519,358 1.964,360 3.779,361 1.423,362 2.82,363 1.985,364 4.146,365 2.33,366 1.414,367 1.946,369 3.641,370 1.226,371 2.241,372 1.85,373 3.475,374 2.022,375 1.065,376 1.187,378 2.393,379 0.999,380 1.75,381 1.153,382 3.246,383 1.412,384 0.548,385 0.629,387 1.357,388 0.415,389 1.375,390 5}
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{0 CHEMBL1421,1 5.006,2 4.911,3 4.31,4 45.193,5 1.545,6 62,7 280.347,8 0.825,9 1.129,10 1.781,11 14.515,12 3.439,13 11.829,14 130.334,15 8.272,16 0.472,17 4.186,18 3.868,19 3.71,20 5.289,21 3.681,22 4.723,23 4.273,24 4.092,25 5.802,26 4.04,27 4.941,28 5.151,29 4.314,30 4.218,31 5.982,32 4.141,33 5.228,34 4.28,35 4.257,36 6.04,37 4.143,38 5.048,39 5.295,40 4.247,41 4.219,42 6.107,43 4.099,44 4.913,45 5.139,46 4.3,47 4.148,48 5.979,49 4.032,50 4.818,51 5.046,52 4.105,53 4.07,54 5.861,55 3.938,56 4.729,57 4.975,58 3.899,59 3.905,60 5.736,61 3.791,62 0.095,63 0.941,64 11.465,65 5.069,66 10.998,67 6.429,68 0.43,69 1.487,70 24.882,71 8.224,72 31.59,73 10.997,74 0.6,75 1.695,76 35.684,77 10.349,78 45.533,79 13.753,80 0.546,81 1.729,82 37.657,83 12.51,84 51.32,85 16.654,86 0.76,87 1.693,88 13.007,89 79.856,90 17.006,91 0.671,92 1.578,93 38.884,94 11.058,95 68.555,96 13.89,97 0.533,98 1.499,99 38.483,100 11.075,101 49.188,102 13.638,103 0.487,104 1.324,105 32.202,106 9.003,107 43.612,108 11.771,109 28,110 50,111 0.289,112 0.627,113 0.771,114 0.863,115 0.863,116 0.863,117 3.531,118 0.988,119 -4.5,120 -4.42,121 -4.17,123 37.3,124 2,129 6,141 4,142 1,143 2,144 1,146 2,148 1,151 1,154 1,158 1,166 4,168 2,169 6,171 3,173 3,175 4,178 1,179 1,181 1,183 5,185 4,188 3,189 4,191 3,193 2,195 5,198 1,199 5,201 1,202 1,206 1,208 2,209 5,211 1,214 5,216 2,217 6,220 2,222 2,223 1,226 1,228 1,230 5,234 3,235 3,237 2,239 2,241 1,244 2001,245 22.195,246 22.195,247 22.195,248 22.195,249 22.195,250 19.929,251 32.957,252 13.115,253 23.048,254 17.742,255 17.742,256 17.742,257 17.742,258 17.742,259 14.303,260 53.106,261 6.184,262 19.239,263 4.101,264 2.018,265 1.131,266 0.568,267 0.568,268 0.568,269 4.224,270 1,273 1,274 1026,275 3.464,277 97.808,278 357.583,285 2.349,286 33.625,289 1,290 0.67,291 1,292 1,293 0.5,294 1,295 1,296 0.88,297 71.833,298 479,299 4.372,300 3.598,301 6.427,302 3.97,303 3.025,304 4.012,305 1.058,306 9.81,307 2.855,308 4.278,309 3.209,310 6.209,311 3.89,312 2.963,313 3.905,314 0.8,315 9.352,316 2.742,317 4.182,318 3.187,319 6.053,320 3.729,321 2.816,322 3.795,323 0.8,324 8.741,325 2.583,326 3.731,327 2.874,328 5.56,329 3.499,330 2.572,331 2.948,332 0.4,333 7.535,334 2.377,335 3.573,336 2.712,337 5.322,338 3.261,339 2.344,340 2.8,342 6.886,343 2.131,344 3.377,345 2.486,346 5.139,347 3.091,348 2.175,349 2.481,351 6.287,352 1.978,353 3.232,354 2.379,355 4.841,356 2.799,357 1.879,358 2.478,360 5.178,361 1.722,362 3.232,363 2.119,364 4.717,365 2.782,366 1.854,367 2.446,369 5.104,370 1.638,371 2.898,372 1.66,373 4.254,374 2.451,375 1.484,376 2.064,378 3.876,379 1.433,380 2.623,381 1.578,382 4.184,383 2.329,384 1.39,385 1.628,387 3.748,388 1.3,389 2.572,390 5}
{0 CHEMBL1614701,1 4.605,2 4.502,3 3.977,4 17.834,5 1.302,6 44,7 205.722,8 0.261,9 0.824,10 2.039,11 9.815,12 3.234,13 10.461,14 102.384,15 10.898,16 0.552,17 3.88,18 3.747,19 3.406,20 5.143,21 3.419,22 4.367,23 4.17,24 3.789,25 5.626,26 3.787,27 4.575,28 4.72,29 4.313,30 3.908,31 5.974,32 3.885,33 4.779,34 4.414,35 3.873,36 5.96,37 3.844,38 4.549,39 4.713,40 4.164,41 3.765,42 6.036,43 3.785,44 4.562,45 4.689,46 4.272,47 3.821,48 6.169,49 3.842,50 4.586,51 4.746,52 4.239,53 3.795,54 5.983,55 3.784,56 4.555,57 4.749,58 4.302,59 3.728,60 5.806,61 3.674,62 0.255,63 0.679,64 3.015,65 3.461,66 19.199,67 3.449,68 0.538,69 1.037,70 9.729,71 5.922,72 42.845,73 5.857,74 0.872,75 1.262,76 23.78,77 7.869,78 71.232,79 7.961,80 0.832,81 1.321,82 33.428,83 8.205,84 63.717,85 8.272,86 0.944,87 1.243,88 7.175,89 108.942,90 7.332,91 1.045,92 1.235,93 16.589,94 7.522,95 112.204,96 6.621,97 0.901,98 1.128,99 16.171,100 7.214,101 90.926,102 6.667,103 0.973,104 1.017,105 26.345,106 8.19,107 84.24,108 7.949,109 42,110 41,111 0.356,112 0.753,113 0.855,114 0.905,115 0.905,116 0.905,117 3.341,118 0.929,119 -4.17,120 -4.11,121 -3.89,122 1,123 40.5,128 1,129 2,141 4,142 1,143 5,145 1,151 1,154 1,156 1,164 1,166 2,168 1,169 2,171 1,173 3,175 4,178 1,179 4,181 1,183 5,185 3,189 2,191 2,192 2,195 3,198 1,201 3,203 1,206 4,208 2,209 2,211 2,213 2,214 3,216 1,217 8,222 4,223 1,226 6,229 1,232 1,235 2,237 1,239 1,244 1213,245 17.922,246 17.922,247 17.922,248 17.922,249 17.922,250 15.746,251 18.997,252 10.554,253 18.585,254 14.227,255 14.227,256 14.227,257 14.227,258 14.227,259 10.912,260 21.153,261 4.957,262 15.422,263 3.353,264 1.078,265 0.494,266 0.208,267 0.208,268 0.208,269 4.016,270 1,272 1,273 1,274 553,275 3.536,277 66.456,278 150.725,281 114.279,285 1.317,286 41.631,289 1,290 0.83,291 1,292 0.6,294 1,295 1,296 0.78,297 60.583,298 265,299 4.714,300 4.038,301 6.907,302 4.258,303 3.294,304 4.67,305 2.095,306 11.539,307 3.175,308 4.256,309 3.489,310 6.343,311 3.807,312 2.878,313 3.9,314 0.776,315 9.524,316 2.692,317 4.109,318 3.223,319 6.047,320 3.688,321 2.728,322 3.664,323 0.4,324 8.648,325 2.558,326 3.719,327 3.179,328 5.738,329 3.307,330 2.364,331 3.105,333 7.429,334 2.202,335 3.45,336 2.777,337 5.009,338 2.959,339 2.101,340 2.765,342 5.856,343 1.734,344 3.112,345 2.668,346 4.883,347 2.729,348 1.796,349 2.263,351 5.049,352 1.627,353 2.878,354 2.206,355 4.334,356 2.483,357 1.573,358 2.019,360 3.971,361 1.404,362 2.801,363 1.846,364 4.163,365 2.342,366 1.4,367 1.925,369 3.664,370 1.305,371 2.618,372 1.772,373 3.809,374 2.312,375 1.377,376 1.615,378 3.006,379 1.223,380 2.337,381 1.579,382 3.551,383 1.86,384 0.949,385 1.257,387 2.282,388 0.858,389 1.797,390 5}
{0 CHEMBL162,1 5.369,2 5.021,3 4.37,4 52.426,5 1.675,6 68,7 301.51,8 0.845,9 1.223,10 1.512,11 8.057,12 3.82,13 14.59,14 131.874,15 7.649,16 0.571,17 4.263,18 3.882,19 3.832,20 5.286,21 3.826,22 4.873,23 4.374,24 4.318,25 5.859,26 4.309,27 5.178,28 5.337,29 4.61,30 4.573,31 6.149,32 4.556,33 5.531,34 4.757,35 4.756,36 6.333,37 4.727,38 5.532,39 5.717,40 4.778,41 4.847,42 6.495,43 4.794,44 5.585,45 5.797,46 4.686,47 4.848,48 6.518,49 4.761,50 5.533,51 5.767,52 4.425,53 4.709,54 6.463,55 4.58,56 5.314,57 5.575,58 3.935,59 4.389,60 6.201,61 4.21,62 0.027,63 0.917,64 12.149,65 5.573,66 11.265,67 6.965,68 0.37,69 1.627,70 25.463,71 9.887,72 30.97,73 12.55,74 0.571,75 2.159,76 35.68,77 13.607,78 40.408,79 17.155,80 0.443,81 2.615,82 42.815,83 17.103,84 43.837,85 21.674,86 0.654,87 3.038,88 19.901,89 53.811,90 25.674,91 0.548,92 3.117,93 57.473,94 22.265,95 66.036,96 29.664,97 0.67,98 2.864,99 56.948,100 21.781,101 84.94,102 29.533,103 0.536,104 2.232,105 47.876,106 17.849,107 74.079,108 24.601,109 21,110 68,111 0.238,112 0.589,113 0.78,114 0.837,115 0.857,116 0.878,117 3.592,118 0.875,119 -3.69,120 -3.66,121 -3.48,123 45.9,124 1,125 1,128 2,129 1,130 2,131 1,133 1,141 8,142 6,151 4,154 1,166 13,168 2,169 11,171 1,173 3,175 14,178 3,179 12,181 1,183 2,185 13,189 16,191 3,193 3,195 17,198 2,199 15,201 2,203 2,206 19,208 1,209 13,213 10,214 18,216 1,217 8,220 1,222 10,223 12,226 4,228 1,230 2,232 10,234 1,235 1,237 1,238 1,241 4,244 1554,245 24.479,246 24.479,247 24.479,248 24.479,249 24.479,250 21.802,251 28.268,252 13.618,253 25.037,254 20.655,255 20.655,256 20.655,257 20.655,258 20.655,259 16.241,260 43.083,261 6.255,262 21.485,263 4.419,264 2.197,265 0.988,266 0.627,267 0.496,268 0.365,269 4.332,273 1,274 655,275 3.606,277 83.28,278 145.816,279 35.366,281 304.128,282 103.607,283 57.287,284 460.14,285 0.986,286 31.918,289 1,290 0.67,291 1,292 0.8,293 0.5,294 1,295 1,296 0.85,297 75,298 282,299 5.131,300 4.031,301 8.018,302 4.73,303 3.785,304 5.285,305 1.157,306 15.502,307 3.602,308 4.747,309 3.722,310 7.443,311 4.418,312 3.454,313 4.71,314 1.081,315 13.599,316 3.307,317 4.507,318 3.378,319 6.984,320 4.144,321 3.178,322 3.952,323 0.86,324 11.874,325 3.072,326 4.188,327 3.256,328 6.655,329 3.852,330 2.872,331 3.612,332 0.473,333 10.548,334 2.807,335 3.861,336 2.75,337 6.172,338 3.462,339 2.505,340 3.412,341 0.4,342 8.784,343 2.39,344 3.691,345 2.678,346 6.05,347 3.365,348 2.389,349 3.043,350 0.297,351 8.42,352 2.333,353 3.521,354 2.532,355 5.844,356 3.181,357 2.236,358 2.862,360 7.654,361 2.107,362 3.408,363 2.327,364 5.654,365 3.06,366 2.07,367 2.62,369 7.069,370 2.039,371 3.126,372 2.011,373 5.264,374 2.736,375 1.766,376 2.23,378 5.664,379 1.703,380 2.932,381 1.901,382 4.97,383 2.54,384 1.589,385 2.097,387 4.926,388 1.508,389 2.867,390 8.004}
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{0 CHEMBL939,1 4.91,2 4.851,3 4.233,4 34.793,5 1.594,6 58,7 262.591,8 0.825,9 1.047,10 1.765,11 12.935,12 4.203,13 17.668,14 117.539,15 8.126,16 0.5,17 4.125,18 3.763,19 3.608,20 5.232,21 3.614,22 4.683,23 4.108,24 3.975,25 5.763,26 3.967,27 4.893,28 5.085,29 4.228,30 4.114,31 6.01,32 4.075,33 5.131,34 4.063,35 4.094,36 5.891,37 4.01,38 4.924,39 5.162,40 3.998,41 4.066,42 5.867,43 3.975,44 4.855,45 5.07,46 4.024,47 4.022,48 5.847,49 3.955,50 4.822,51 5.037,52 4.035,53 4,54 5.867,55 3.93,56 4.743,57 4.957,58 4.007,59 3.938,60 5.802,61 3.875,62 0.111,63 0.856,64 10.201,65 4.964,66 8.62,67 6.061,68 0.52,69 1.327,70 22.65,71 8.032,72 32.965,73 9.846,74 0.832,75 1.556,76 32.057,77 10.206,78 61.553,79 12.9,80 0.668,81 1.527,82 32.189,83 10.914,84 50.112,85 14.647,86 0.769,87 1.436,88 11.224,89 55.907,90 15.459,91 0.703,92 1.383,93 30.31,94 10.185,95 51.652,96 13.425,97 0.773,98 1.377,99 29.541,100 9.526,101 53.011,102 12.641,103 0.507,104 1.332,105 28.621,106 8.847,107 41.222,108 11.646,109 11,110 46,111 0.291,112 0.618,113 0.788,114 0.862,115 0.862,116 0.862,117 3.472,118 0.926,119 -4.14,120 -4.08,121 -3.86,123 40,125 1,128 1,129 6,141 5,142 1,143 5,145 1,146 1,147 1,166 2,168 1,169 7,171 1,173 3,175 3,178 2,179 5,183 2,185 3,188 2,189 4,191 1,193 2,195 4,198 2,199 3,201 1,206 5,208 1,209 4,211 1,214 4,216 2,217 7,222 1,223 2,226 4,232 1,234 2,235 3,237 1,241 2,244 1793,245 21.3,246 21.3,247 21.3,248 21.3,249 21.3,250 19.212,251 28.856,252 12.772,253 22.231,254 16.748,255 16.748,256 16.748,257 16.748,258 16.748,259 13.558,260 41.089,261 6.022,262 18.21,263 4.016,264 2.038,265 1.007,266 0.559,267 0.559,268 0.559,269 4.172,270 1,272 1,273 1,274 866,275 3.24,278 375.27,282 143.891,285 2.067,286 34.732,289 1,290 1,291 1,292 1,293 0.5,294 1,295 1,296 0.93,297 68.833,298 401,299 4.575,300 3.319,301 6.586,302 4.099,303 3.135,304 4.513,305 0.86,306 10.534,307 3.023,308 4.218,309 3.281,310 6.054,311 3.76,312 2.835,313 3.872,314 0.86,315 8.734,316 2.605,317 3.99,318 2.944,319 5.946,320 3.569,321 2.645,322 3.493,323 0.86,324 8.294,325 2.43,326 3.569,327 2.884,328 5.361,329 3.436,330 2.52,331 2.926,332 0.8,333 6.965,334 2.305,335 3.52,336 2.475,337 5.34,338 3.155,339 2.228,340 2.674,341 0.4,342 6.774,343 2.032,344 3.334,345 2.316,346 5.011,347 2.867,348 1.925,349 2.521,351 5.763,352 1.803,353 2.999,354 2.162,355 4.505,356 2.589,357 1.675,358 2.22,360 4.444,361 1.524,362 2.82,363 2.123,364 4.042,365 2.481,366 1.561,367 1.949,369 3.523,370 1.433,371 2.767,372 1.897,373 3.948,374 2.319,375 1.414,376 1.819,378 3.451,379 1.23,380 2.581,381 1.618,382 3.696,383 2.29,384 1.414,385 1.587,387 3.144,388 1.217,389 2.312,390 5}
{0 CHEMBL941,1 5.205,2 5.033,3 4.443,4 39.659,5 1.728,6 72,7 318.954,8 0.825,9 1.136,10 1.468,11 16.73,12 4.221,13 17.813,14 146.651,15 7.26,16 0.585,17 4.309,18 3.863,19 3.85,20 5.388,21 3.826,22 4.838,23 4.197,24 4.233,25 5.866,26 4.187,27 5.077,28 5.286,29 4.239,30 4.395,31 6.061,32 4.31,33 5.466,34 4.145,35 4.367,36 6.139,37 4.247,38 5.13,39 5.402,40 4.135,41 4.291,42 6.073,43 4.196,44 4.967,45 5.186,46 4.111,47 4.268,48 6.004,49 4.179,50 5.016,51 5.264,52 4.026,53 4.248,54 5.971,55 4.136,56 4.9,57 5.125,58 3.986,59 4.166,60 5.937,61 4.067,62 0.042,63 1.057,64 14.153,65 5.707,66 10.591,67 7.967,68 0.335,69 1.689,70 26.501,71 9.172,72 28.678,73 13.227,74 0.267,75 2.03,76 34.233,77 12.408,78 36.8,79 17.809,80 0.379,81 2.115,82 41.833,83 14.546,84 57.714,85 21.321,86 0.4,87 1.949,88 12.896,89 56.06,90 19.119,91 0.404,92 1.798,93 31.238,94 11.142,95 47.554,96 15.945,97 0.357,98 1.761,99 34.142,100 12.405,101 47.321,102 17.862,103 0.328,104 1.59,105 29.721,106 10.944,107 50.027,108 15.574,109 10,110 56,111 0.229,112 0.549,113 0.732,114 0.824,115 0.859,116 0.859,117 3.642,118 0.911,119 -4.14,120 -4.08,121 -3.86,123 42.6,124 1,128 1,129 5,141 10,142 4,143 2,144 3,145 1,149 1,154 1,166 11,168 1,169 7,171 3,173 5,175 12,178 1,179 6,183 5,185 7,188 1,189 13,192 1,193 6,195 3,199 9,203 3,206 5,208 1,209 6,211 4,213 2,214 11,216 1,217 3,220 1,222 2,223 13,225 2,226 5,230 4,232 11,235 8,239 2,241 6,244 2915,245 25.256,246 25.256,247 25.256,248 25.256,249 25.256,250 22.252,251 30.255,252 15.065,253 25.762,254 20.276,255 20.276,256 20.276,257 20.276,258 20.276,259 15.83,260 48.345,261 7.248,262 21.073,263 4.619,264 2.571,265 1.397,266 0.809,267 0.581,268 0.581,269 4.35,273 1,274 1361,275 3.317,278 678.363,285 2.71,286 24.81,289 1,290 0.83,291 1,292 0.8,293 0.5,294 1,295 1,296 0.88,297 78.5,298 619,299 4.315,300 3.573,301 6.185,302 3.93,303 2.959,304 3.96,305 1.058,306 9.244,307 2.89,308 4.24,309 3.072,310 6.115,311 3.858,312 2.876,313 3.87,314 0.916,315 8.969,316 2.818,317 4.165,318 3.043,319 6.033,320 3.787,321 2.798,322 3.759,323 0.8,324 8.628,325 2.765,326 3.82,327 2.87,328 5.588,329 3.604,330 2.658,331 3.263,332 0.4,333 7.698,334 2.52,335 3.74,336 2.687,337 5.313,338 3.344,339 2.392,340 3.117,341 0.172,342 6.87,343 2.27,344 3.544,345 2.462,346 5.204,347 3.267,348 2.32,349 2.784,351 6.483,352 2.183,353 3.434,354 2.335,355 5.127,356 3.087,357 2.123,358 2.551,360 6.246,361 2.046,362 3.203,363 2.27,364 4.806,365 2.861,366 1.928,367 2.486,369 5.438,370 1.786,371 3.033,372 1.869,373 4.413,374 2.731,375 1.773,376 2.052,378 4.415,379 1.697,380 2.857,381 1.829,382 4.15,383 2.412,384 1.441,385 2,387 3.703,388 1.398,389 2.744,390 5}