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{2 1.682,3 10.037,4 3.884,5 15.085,6 105.742,7 8.778,8 0.767,9 3.876,10 3.969,11 3.685,12 3.557,13 5.067,14 3.514,15 4.342,16 4.468,17 3.966,18 3.915,19 5.557,20 3.863,21 4.56,22 4.722,23 3.994,24 3.994,25 5.781,26 3.931,27 4.58,28 4.762,29 3.908,30 3.95,31 5.751,32 3.886,33 4.601,34 4.819,35 3.857,36 3.946,37 5.646,38 3.871,39 4.499,40 4.692,41 3.898,42 3.935,43 5.602,44 3.856,45 4.493,46 4.659,47 3.897,48 3.953,49 5.719,50 3.858,51 4.594,52 4.821,53 3.718,54 3.862,55 5.71,56 3.742,57 0.057,58 0.666,59 7.483,60 3.94,61 8.578,62 4.237,63 0.115,64 1.074,65 14.667,66 6.738,67 15.682,68 7.342,69 0.247,70 1.318,71 18.974,72 8.268,73 43.026,74 8.97,75 0.275,76 1.334,77 19.434,78 7.928,79 40.885,80 8.824,81 0.302,82 1.29,83 19.997,84 7.981,85 39.294,86 9.967,87 0.252,88 1.223,89 17.439,90 7.486,91 31.067,92 9.636,93 0.242,94 1.216,95 16.215,96 7.987,97 27.859,98 9.813,99 0.261,100 1.31,101 21.198,102 8.944,103 39.575,104 10.966,105 11,106 42,107 0.287,108 0.569,109 0.703,110 0.795,111 0.81,112 0.81,113 3.341,114 0.988,115 -4.92,116 -4.83,117 -4.53,119 48.8,124 1,138 10,139 3,140 2,141 2,142 1,148 1,154 1,163 10,166 4,168 1,170 2,171 9,175 8,179 5,181 5,185 8,189 4,191 6,195 1,197 1,199 2,202 14,204 1,205 1,211 18,213 1,214 3,217 1,221 12,224 4,230 4,233 4,242 1123,243 18.361,244 18.361,245 18.361,246 18.361,247 18.361,248 15.561,249 4.368,250 10.837,251 18.876,252 14.814,253 14.814,254 14.814,255 14.814,256 14.814,257 10.659,258 2.498,259 5.164,260 15.642,261 3.744,262 2.087,263 1.302,264 0.762,265 0.669,266 0.669,267 4.038,269 1,270 1,271 1,272 587,273 2.646,275 74.848,276 265.59,283 1.451,284 27.251,286 1,287 1,288 1,289 1,290 0.6,292 1,293 1,294 0.8,295 58,296 271,297 4.568,298 4.698,299 6.747,300 4.172,301 3.204,302 4.301,303 2.95,304 11.08,305 3.103,306 4.196,307 3.207,308 6.1,309 3.769,310 2.819,311 3.802,313 8.88,314 2.706,315 3.986,316 2.897,317 5.879,318 3.558,319 2.592,320 3.578,322 8.043,323 2.526,324 3.913,325 2.729,326 5}
{0 CHEMBL101253,1 1,2 1.496,3 10.4,4 4.705,5 22.138,6 100.976,7 8.671,8 0.821,9 3.803,10 3.913,11 3.514,12 3.464,13 4.975,14 3.437,15 4.262,16 4.398,17 3.86,18 3.837,19 5.382,20 3.788,21 4.511,22 4.697,23 3.901,24 3.938,25 5.564,26 3.861,27 4.515,28 4.732,29 3.756,30 3.84,31 5.52,32 3.754,33 4.451,34 4.676,35 3.759,36 3.782,37 5.493,38 3.723,39 4.382,40 4.579,41 3.717,42 3.806,43 5.456,44 3.734,45 4.37,46 4.573,47 3.668,48 3.781,49 5.403,50 3.675,51 4.285,52 4.512,53 3.486,54 3.609,55 5.255,56 3.465,57 0.036,58 0.569,59 5.871,60 3.065,61 6.797,62 3.852,63 0.051,64 0.892,65 10.545,66 5.141,67 10.565,68 6.527,69 0.15,70 1.134,71 18.583,72 7.031,73 22.023,74 8.915,75 0.152,76 1.147,77 19.99,78 7.228,79 24.391,80 9.299,81 0.206,82 1.11,83 17.499,84 6.324,85 25.7,86 8.142,87 0.186,88 1.026,89 15.521,90 5.816,91 22.825,92 7.282,93 0.139,94 0.952,95 15.408,96 6.574,97 20.483,98 8.757,99 0.115,100 0.837,101 16.149,102 6.477,103 20.375,104 8.711,105 2,106 38,107 0.259,108 0.558,109 0.709,110 0.819,111 0.836,112 0.845,113 3.267,114 0.893,115 -5.43,116 -5.31,117 -4.96,119 50,121 1,138 10,139 3,140 2,141 2,142 1,143 1,159 1,163 11,166 5,168 1,170 3,171 14,175 7,177 1,179 4,181 10,185 10,189 2,191 8,195 8,199 3,202 13,204 1,205 3,209 1,211 13,213 1,214 3,219 2,221 11,224 3,230 8,233 1,235 1,239 8,242 911,243 17.361,244 17.361,245 17.361,246 17.361,247 17.361,248 14.555,249 18.364,250 10.512,251 17.698,252 13.875,253 13.875,254 13.875,255 13.875,256 13.875,257 9.836,258 28.435,259 5.06,260 14.462,261 3.826,262 2.106,263 1.23,264 0.6,265 0.5,266 0.45,267 3.972,268 1,270 1,271 1,272 572,273 2.345,276 266.179,280 101.355,283 1.856,284 13.492,286 1,287 0.75,288 1,289 1,290 0.6,292 1,293 1,294 0.76,295 52.333,296 260,297 4.596,298 3.258,299 6.707,300 4.135,301 3.153,302 4.543,303 0.68,304 10.902,305 3.096,306 4.03,307 2.961,308 5.8,309 3.622,310 2.659,311 3.625,312 0.4,313 8.069,314 2.567,315 3.92,316 2.823,317 5.423,318 3.508,319 2.531,320 3.467,322 7.166,323 2.46,324 3.64,325 2.533,326 5}
{0 CHEMBL103667,1 1,2 1.476,3 15.333,4 5.907,5 34.897,6 153.448,7 6.944,8 0.512,9 4.416,10 4.543,11 3.928,12 3.926,13 5.446,14 3.899,15 4.975,16 5.161,17 4.296,18 4.324,19 5.966,20 4.279,21 5.224,22 5.428,23 4.344,24 4.489,25 6.191,26 4.408,27 5.354,28 5.615,29 4.314,30 4.494,31 6.25,32 4.385,33 5.289,34 5.537,35 4.298,36 4.402,37 6.266,38 4.322,39 5.161,40 5.377,41 4.272,42 4.38,43 6.186,44 4.313,45 5.213,46 5.426,47 4.329,48 4.471,49 6.285,50 4.385,51 5.328,52 5.566,53 4.237,54 4.518,55 6.285,56 4.402,57 0.071,58 1.114,59 17.099,60 7.024,61 11.85,62 9.626,63 0.407,64 1.786,65 32.2,66 11.499,67 38.337,68 16.193,69 0.522,70 2.215,71 41.95,72 14.363,73 49.844,74 20.619,75 0.467,76 2.375,77 49.157,78 16.419,79 58.81,80 24.524,81 0.653,82 2.184,83 46.823,84 14.355,85 69.806,86 21.162,87 0.568,88 2.014,89 40.251,90 12.847,91 62.036,92 18.535,93 0.461,94 2.159,95 41.436,96 14.686,97 73.226,98 21.166,99 0.588,100 2.318,101 47.773,102 16.237,103 80.539,104 23.357,105 27,106 61,107 0.226,108 0.537,109 0.702,110 0.788,111 0.812,112 0.816,113 3.693,114 0.941,115 -5.07,116 -4.97,117 -4.65,119 40.8,120 4,123 1,125 6,138 11,139 3,140 3,142 1,149 1,152 1,159 1,163 15,166 7,168 3,169 1,170 3,171 18,174 2,175 11,177 1,179 3,181 14,184 1,185 11,187 1,189 8,191 6,194 1,195 8,197 2,199 9,202 6,204 1,205 11,209 6,211 11,213 1,214 13,217 1,219 7,221 11,224 9,226 1,228 1,230 12,232 1,233 8,237 1,239 23,242 3163,243 26.126,244 26.126,245 26.126,246 26.126,247 26.126,248 23.423,249 36.989,250 15.44,251 26.724,252 21.281,253 21.281,254 21.281,255 21.281,256 21.281,257 17.125,258 47.755,259 7.396,260 22.217,261 4.772,262 2.742,263 1.666,264 1.109,265 0.948,266 0.922,267 4.396,271 1,272 1298,273 4.359,275 114.727,276 481.223,280 186.324,283 2.479,284 29.015,287 0.75,288 0.83,289 0.83,290 0.9,291 0.5,292 0.83,293 1,294 0.81,295 83.5,296 598,297 4.594,298 3.613,299 7.139,300 4.35,301 3.366,302 4.54,303 1.656,304 11.836,305 3.316,306 4.578,307 3.536,308 6.702,309 4.127,310 3.145,311 4.211,312 0.86,313 10.879,314 3.09,315 4.199,316 3.227,317 6.493,318 3.921,319 2.963,320 3.597,321 0.86,322 10.131,323 2.833,324 3.865,325 3.067,326 5}
{0 CHEMBL105442,2 1.983,3 9.88,4 4.908,5 24.087,6 99.228,7 12.274,8 0.444,9 3.792,10 3.884,11 3.775,12 3.435,13 5.022,14 3.394,15 4.273,16 4.4,17 4.197,18 3.786,19 5.534,20 3.708,21 4.519,22 4.69,23 4.354,24 3.863,25 6.008,26 3.773,27 4.473,28 4.655,29 4.497,30 3.765,31 5.852,32 3.678,33 4.37,34 4.525,35 4.097,36 3.624,37 5.907,38 3.633,39 4.392,40 4.524,41 4.225,42 3.733,43 6.046,44 3.707,45 4.409,46 4.554,47 4.266,48 3.714,49 5.974,50 3.646,51 4.31,52 4.504,53 4.362,54 3.646,55 5.56,56 3.482,57 0.19,58 0.668,59 0.871,60 3.405,61 18.075,62 3.508,63 0.379,64 1.031,65 4.693,66 6.413,67 38.569,68 6.332,69 0.857,70 1.404,71 33.685,72 9.985,73 101.366,74 8.732,75 0.789,76 1.191,77 46.152,78 9.47,79 78.619,80 7.529,81 0.793,82 1.123,83 12.827,84 6.22,85 106.151,86 5.258,87 0.863,88 1.152,89 19.438,90 7.893,91 106.636,92 6.804,93 0.91,94 1.123,95 11.633,96 7.74,97 109.321,98 6.234,99 0.65,100 1.068,101 22.075,102 9.053,103 79.569,104 7.243,105 26,106 38,107 0.355,108 0.704,109 0.829,110 0.891,111 0.891,112 0.891,113 3.267,114 1.004,115 -5.59,116 -5.46,117 -5.09,119 43.6,121 2,122 1,125 1,138 5,139 1,140 6,151 1,161 1,163 6,166 2,168 1,170 3,171 5,174 1,175 4,179 6,181 3,185 2,187 1,188 1,189 4,191 3,195 2,197 1,199 1,202 5,205 3,209 1,211 7,214 4,219 4,221 7,224 3,228 2,230 3,233 1,237 1,239 2,242 1031,243 16.499,244 16.499,245 16.499,246 16.499,247 16.499,248 14.722,249 16.843,250 9.551,251 17.054,252 13.256,253 13.256,254 13.256,255 13.256,256 13.256,257 10.619,258 19.271,259 4.509,260 14.337,261 3.302,262 1.356,263 0.657,264 0.308,265 0.308,266 0.308,267 3.932,268 1,270 1,271 1,272 524,273 3.317,274 51.118,276 170.887,283 1.485,284 42.023,287 0.75,288 0.83,289 1,290 0.8,291 0.5,292 1,293 1,294 0.84,295 55.733,296 247,297 4.52,298 4.041,299 6.732,300 4.133,301 3.167,302 4.211,303 2.095,304 10.87,305 3.063,306 4.208,307 3.49,308 6.052,309 3.738,310 2.821,311 3.862,312 0.776,313 8.685,314 2.636,315 3.839,316 3.218,317 5.862,318 3.652,319 2.662,320 3.193,321 0.4,322 7.781,323 2.547,324 3.654,325 3.189,326 5}
{0 CHEMBL1162963,1 46,2 1.463,3 10.231,4 5.69,5 32.38,6 153.507,7 7.583,8 0.578,9 4.333,10 4.449,11 3.937,12 3.93,13 5.404,14 3.909,15 4.889,16 5.058,17 4.345,18 4.373,19 5.925,20 4.336,21 5.148,22 5.333,23 4.464,24 4.561,25 6.158,26 4.501,27 5.309,28 5.512,29 4.548,30 4.673,31 6.352,32 4.6,33 5.408,34 5.603,35 4.62,36 4.755,37 6.43,38 4.675,39 5.526,40 5.744,41 4.67,42 4.812,43 6.545,44 4.726,45 5.579,46 5.807,47 4.679,48 4.83,49 6.589,50 4.743,51 5.576,52 5.808,53 4.672,54 4.829,55 6.568,56 4.749,57 0.024,58 1.003,59 13.098,60 5.962,61 7.652,62 7.762,63 0.293,64 1.724,65 25.714,66 10.173,67 23.997,68 13.675,69 0.204,70 2.135,71 34.503,72 14.152,73 29.893,74 18.92,75 0.421,76 2.517,77 41.835,78 16.268,79 66.411,80 22.12,81 0.41,82 2.74,83 45.728,84 18.503,85 48.23,86 24.86,87 0.549,88 3.009,89 54.194,90 21.201,91 70.679,92 28.725,93 0.521,94 3.135,95 58.642,96 22.244,97 92.498,98 30.008,99 0.689,100 3.167,101 59.266,102 20.994,103 99.362,104 28.248,105 18,106 67,107 0.225,108 0.57,109 0.714,110 0.794,111 0.812,112 0.83,113 3.694,114 0.895,115 -5.12,116 -5.01,117 -4.7,119 47.1,121 3,124 2,125 2,134 2,138 10,139 5,142 1,143 1,147 2,148 2,151 2,163 17,165 1,166 14,168 2,170 2,171 18,175 15,179 2,181 16,184 2,185 14,189 2,191 18,194 2,195 8,197 2,199 2,202 19,204 5,205 13,209 4,211 22,213 1,214 14,219 4,221 23,224 22,228 1,230 25,232 1,233 13,235 1,237 2,239 16,242 1684,243 26.792,244 26.792,245 26.792,246 26.792,247 26.792,248 23.426,249 25.169,250 15.438,251 27.153,252 22.247,253 22.247,254 22.247,255 22.247,256 22.247,257 16.789,258 24.438,259 7.306,260 22.824,261 4.625,262 2.386,263 1.452,264 0.934,265 0.816,266 0.699,267 4.42,271 1,272 906,273 3.24,275 122.361,276 163.258,279 151.738,283 0.888,284 32.198,287 0.75,288 0.67,289 0.83,290 0.7,291 0.5,292 0.83,293 1,294 0.75,295 82.5,296 399,297 4.825,298 3.839,299 7.187,300 4.422,301 3.429,302 4.714,303 1.2,304 12.66,305 3.405,306 4.639,307 3.32,308 6.82,309 4.167,310 3.195,311 4.602,312 0.8,313 11.317,314 3.111,315 4.36,316 3.232,317 6.535,318 3.964,319 3.008,320 3.955,321 0.8,322 10.244,323 2.883,324 4.325,325 3.198,326 6.071}
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{0 CHEMBL1421,2 1.781,3 14.515,4 3.439,5 11.829,6 130.334,7 8.272,8 0.472,9 4.186,10 4.31,11 3.868,12 3.71,13 5.289,14 3.681,15 4.723,16 4.911,17 4.273,18 4.092,19 5.802,20 4.04,21 4.941,22 5.151,23 4.314,24 4.218,25 5.982,26 4.141,27 5.006,28 5.228,29 4.28,30 4.257,31 6.04,32 4.143,33 5.048,34 5.295,35 4.247,36 4.219,37 6.107,38 4.099,39 4.913,40 5.139,41 4.3,42 4.148,43 5.979,44 4.032,45 4.818,46 5.046,47 4.105,48 4.07,49 5.861,50 3.938,51 4.729,52 4.975,53 3.899,54 3.905,55 5.736,56 3.791,57 0.095,58 0.941,59 11.465,60 5.069,61 10.998,62 6.429,63 0.43,64 1.487,65 24.882,66 8.224,67 31.59,68 10.997,69 0.6,70 1.695,71 35.684,72 10.349,73 45.533,74 13.753,75 0.546,76 1.729,77 37.657,78 12.51,79 51.32,80 16.654,81 0.76,82 1.693,83 45.193,84 13.007,85 79.856,86 17.006,87 0.671,88 1.578,89 38.884,90 11.058,91 68.555,92 13.89,93 0.533,94 1.499,95 38.483,96 11.075,97 49.188,98 13.638,99 0.487,100 1.324,101 32.202,102 9.003,103 43.612,104 11.771,105 28,106 50,107 0.289,108 0.627,109 0.771,110 0.863,111 0.863,112 0.863,113 3.531,114 0.988,115 -4.5,116 -4.42,117 -4.17,119 37.3,120 2,125 6,138 4,139 1,140 2,141 1,143 2,145 1,148 1,151 1,155 1,163 4,165 2,166 6,168 3,170 3,171 4,174 1,175 1,177 1,179 5,181 4,184 3,185 4,187 3,189 2,191 5,194 1,195 5,197 1,198 1,202 1,204 2,205 5,207 1,211 5,213 2,214 6,217 2,219 2,221 1,224 1,226 1,228 5,232 3,233 3,235 2,237 2,239 1,242 2001,243 22.195,244 22.195,245 22.195,246 22.195,247 22.195,248 19.929,249 32.957,250 13.115,251 23.048,252 17.742,253 17.742,254 17.742,255 17.742,256 17.742,257 14.303,258 53.106,259 6.184,260 19.239,261 4.101,262 2.018,263 1.131,264 0.568,265 0.568,266 0.568,267 4.224,268 1,271 1,272 1026,273 3.464,275 97.808,276 357.583,283 2.349,284 33.625,287 1,288 0.67,289 1,290 1,291 0.5,292 1,293 1,294 0.88,295 71.833,296 479,297 4.372,298 3.598,299 6.427,300 3.97,301 3.025,302 4.012,303 1.058,304 9.81,305 2.855,306 4.278,307 3.209,308 6.209,309 3.89,310 2.963,311 3.905,312 0.8,313 9.352,314 2.742,315 4.182,316 3.187,317 6.053,318 3.729,319 2.816,320 3.795,321 0.8,322 8.741,323 2.583,324 3.731,325 2.874,326 5}
{0 CHEMBL14762,1 1,2 1.5,3 9.462,4 3.181,5 10.12,6 106.143,7 6.817,8 0.571,9 4.034,10 4.18,11 3.519,12 3.496,13 5.088,14 3.472,15 4.572,16 4.785,17 3.856,18 3.869,19 5.559,20 3.815,21 4.81,22 5.061,23 3.912,24 3.985,25 5.757,26 3.906,27 4.882,28 5.147,29 3.89,30 3.981,31 5.84,32 3.892,33 4.843,34 5.117,35 3.806,36 3.913,37 5.833,38 3.834,39 4.671,40 4.9,41 3.827,42 3.894,43 5.652,44 3.838,45 4.764,46 4.999,47 3.846,48 3.969,49 5.745,50 3.896,51 4.877,52 5.132,53 3.736,54 4.031,55 5.779,56 3.9,57 0.052,58 0.803,59 12.071,60 4.161,61 11.302,62 6.38,63 0.304,64 1.233,65 21.878,66 6.999,67 27.887,68 10.721,69 0.365,70 1.431,71 28.413,72 8.106,73 37.986,74 13.299,75 0.425,76 1.463,77 31.008,78 8.473,79 44.897,80 13.926,81 0.557,82 1.385,83 30.377,84 6.812,85 60.496,86 12.199,87 0.263,88 1.314,89 24.475,90 6.143,91 29.225,92 10.697,93 0.429,94 1.397,95 27.167,96 6.888,97 37.375,98 11.79,99 0.346,100 1.421,101 30.375,102 9.501,103 43.03,104 14.901,105 28,106 38,107 0.252,108 0.595,109 0.767,110 0.831,111 0.84,112 0.84,113 3.305,114 0.966,115 -4.72,116 -4.63,117 -4.35,119 36.5,120 3,121 1,125 2,127 2,138 5,139 1,142 1,143 1,146 1,153 1,154 1,163 7,165 3,166 2,168 3,170 2,171 7,174 2,177 1,178 1,179 4,181 3,184 1,185 7,187 3,188 1,189 3,195 5,197 3,199 1,205 9,209 6,214 9,217 1,218 1,219 3,224 6,226 1,228 2,230 5,233 2,237 4,239 9,242 1070,243 17.74,244 17.74,245 17.74,246 17.74,247 17.74,248 15.891,249 24.833,250 10.529,251 18.162,252 13.704,253 13.704,254 13.704,255 13.704,256 13.704,257 10.846,258 38.665,259 4.846,260 14.447,261 4.201,262 2.156,263 1.133,264 0.75,265 0.697,266 0.697,267 3.986,269 1,270 1,271 1,272 513,273 3.742,275 59.154,276 151.285,279 107.706,283 1.462,284 20.389,286 1,287 1,288 1,289 1,290 1,291 0.5,292 1,293 1,294 0.93,295 56,296 246,297 4.656,298 3.293,299 6.805,300 4.159,301 3.226,302 4.614,303 0.657,304 11.227,305 3.01,306 3.93,307 2.838,308 5.977,309 3.583,310 2.649,311 3.451,312 0.4,313 8.354,314 2.519,315 3.863,316 2.769,317 5.526,318 3.513,319 2.542,320 3.308,322 7.443,323 2.438,324 3.663,325 2.587,326 5}
{0 CHEMBL1614701,1 1,2 2.039,3 9.815,4 3.234,5 10.461,6 102.384,7 10.898,8 0.552,9 3.88,10 3.977,11 3.747,12 3.406,13 5.143,14 3.419,15 4.367,16 4.502,17 4.17,18 3.789,19 5.626,20 3.787,21 4.575,22 4.72,23 4.313,24 3.908,25 5.974,26 3.885,27 4.605,28 4.779,29 4.414,30 3.873,31 5.96,32 3.844,33 4.549,34 4.713,35 4.164,36 3.765,37 6.036,38 3.785,39 4.562,40 4.689,41 4.272,42 3.821,43 6.169,44 3.842,45 4.586,46 4.746,47 4.239,48 3.795,49 5.983,50 3.784,51 4.555,52 4.749,53 4.302,54 3.728,55 5.806,56 3.674,57 0.255,58 0.679,59 3.015,60 3.461,61 19.199,62 3.449,63 0.538,64 1.037,65 9.729,66 5.922,67 42.845,68 5.857,69 0.872,70 1.262,71 23.78,72 7.869,73 71.232,74 7.961,75 0.832,76 1.321,77 33.428,78 8.205,79 63.717,80 8.272,81 0.944,82 1.243,83 17.834,84 7.175,85 108.942,86 7.332,87 1.045,88 1.235,89 16.589,90 7.522,91 112.204,92 6.621,93 0.901,94 1.128,95 16.171,96 7.214,97 90.926,98 6.667,99 0.973,100 1.017,101 26.345,102 8.19,103 84.24,104 7.949,105 42,106 41,107 0.356,108 0.753,109 0.855,110 0.905,111 0.905,112 0.905,113 3.341,114 0.929,115 -4.17,116 -4.11,117 -3.89,118 1,119 40.5,124 1,125 2,138 4,139 1,140 5,142 1,148 1,151 1,153 1,161 1,163 2,165 1,166 2,168 1,170 3,171 4,174 1,175 4,177 1,179 5,181 3,185 2,187 2,188 2,191 3,194 1,197 3,199 1,202 4,204 2,205 2,207 2,209 2,211 3,213 1,214 8,219 4,221 1,224 6,227 1,230 1,233 2,235 1,237 1,242 1213,243 17.922,244 17.922,245 17.922,246 17.922,247 17.922,248 15.746,249 18.997,250 10.554,251 18.585,252 14.227,253 14.227,254 14.227,255 14.227,256 14.227,257 10.912,258 21.153,259 4.957,260 15.422,261 3.353,262 1.078,263 0.494,264 0.208,265 0.208,266 0.208,267 4.016,268 1,270 1,271 1,272 553,273 3.536,275 66.456,276 150.725,279 114.279,283 1.317,284 41.631,287 1,288 0.83,289 1,290 0.6,292 1,293 1,294 0.78,295 60.583,296 265,297 4.714,298 4.038,299 6.907,300 4.258,301 3.294,302 4.67,303 2.095,304 11.539,305 3.175,306 4.256,307 3.489,308 6.343,309 3.807,310 2.878,311 3.9,312 0.776,313 9.524,314 2.692,315 4.109,316 3.223,317 6.047,318 3.688,319 2.728,320 3.664,321 0.4,322 8.648,323 2.558,324 3.719,325 3.179,326 5}
{0 CHEMBL162,1 10,2 1.512,3 8.057,4 3.82,5 14.59,6 131.874,7 7.649,8 0.571,9 4.263,10 4.37,11 3.882,12 3.832,13 5.286,14 3.826,15 4.873,16 5.021,17 4.374,18 4.318,19 5.859,20 4.309,21 5.178,22 5.337,23 4.61,24 4.573,25 6.149,26 4.556,27 5.369,28 5.531,29 4.757,30 4.756,31 6.333,32 4.727,33 5.532,34 5.717,35 4.778,36 4.847,37 6.495,38 4.794,39 5.585,40 5.797,41 4.686,42 4.848,43 6.518,44 4.761,45 5.533,46 5.767,47 4.425,48 4.709,49 6.463,50 4.58,51 5.314,52 5.575,53 3.935,54 4.389,55 6.201,56 4.21,57 0.027,58 0.917,59 12.149,60 5.573,61 11.265,62 6.965,63 0.37,64 1.627,65 25.463,66 9.887,67 30.97,68 12.55,69 0.571,70 2.159,71 35.68,72 13.607,73 40.408,74 17.155,75 0.443,76 2.615,77 42.815,78 17.103,79 43.837,80 21.674,81 0.654,82 3.038,83 52.426,84 19.901,85 53.811,86 25.674,87 0.548,88 3.117,89 57.473,90 22.265,91 66.036,92 29.664,93 0.67,94 2.864,95 56.948,96 21.781,97 84.94,98 29.533,99 0.536,100 2.232,101 47.876,102 17.849,103 74.079,104 24.601,105 21,106 68,107 0.238,108 0.589,109 0.78,110 0.837,111 0.857,112 0.878,113 3.592,114 0.875,115 -3.69,116 -3.66,117 -3.48,119 45.9,120 1,121 1,124 2,125 1,127 2,128 1,130 1,138 8,139 6,148 4,151 1,163 13,165 2,166 11,168 1,170 3,171 14,174 3,175 12,177 1,179 2,181 13,185 16,187 3,189 3,191 17,194 2,195 15,197 2,199 2,202 19,204 1,205 13,209 10,211 18,213 1,214 8,217 1,219 10,221 12,224 4,226 1,228 2,230 10,232 1,233 1,235 1,236 1,239 4,242 1554,243 24.479,244 24.479,245 24.479,246 24.479,247 24.479,248 21.802,249 28.268,250 13.618,251 25.037,252 20.655,253 20.655,254 20.655,255 20.655,256 20.655,257 16.241,258 43.083,259 6.255,260 21.485,261 4.419,262 2.197,263 0.988,264 0.627,265 0.496,266 0.365,267 4.332,271 1,272 655,273 3.606,275 83.28,276 145.816,277 35.366,279 304.128,280 103.607,281 57.287,282 460.14,283 0.986,284 31.918,287 1,288 0.67,289 1,290 0.8,291 0.5,292 1,293 1,294 0.85,295 75,296 282,297 5.131,298 4.031,299 8.018,300 4.73,301 3.785,302 5.285,303 1.157,304 15.502,305 3.602,306 4.747,307 3.722,308 7.443,309 4.418,310 3.454,311 4.71,312 1.081,313 13.599,314 3.307,315 4.507,316 3.378,317 6.984,318 4.144,319 3.178,320 3.952,321 0.86,322 11.874,323 3.072,324 4.188,325 3.256,326 8.026}
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{0 CHEMBL180022,1 1,2 1.64,3 15.75,4 5.095,5 25.957,6 155.746,7 8.074,8 0.535,9 4.323,10 4.436,11 3.953,12 3.866,13 5.504,14 3.856,15 4.823,16 4.99,17 4.287,18 4.211,19 5.95,20 4.188,21 5.034,22 5.207,23 4.416,24 4.356,25 6.189,26 4.313,27 5.116,28 5.33,29 4.384,30 4.375,31 6.215,32 4.307,33 5.087,34 5.277,35 4.401,36 4.408,37 6.257,38 4.343,39 5.11,40 5.304,41 4.487,42 4.433,43 6.295,44 4.382,45 5.143,46 5.327,47 4.498,48 4.435,49 6.404,50 4.376,51 5.1,52 5.3,53 4.403,54 4.344,55 6.311,56 4.271,57 0.063,58 0.996,59 12.243,60 5.847,61 13.293,62 7.294,63 0.342,64 1.527,65 24.666,66 9.35,67 31.741,68 11.878,69 0.569,70 1.813,71 33.334,72 11.829,73 56.824,74 14.934,75 0.594,76 1.909,77 38.801,78 13.573,79 68.673,80 17.944,81 0.671,82 1.869,83 38.318,84 13.487,85 71.405,86 17.429,87 0.482,88 1.956,89 36.057,90 13.018,91 59.248,92 17.037,93 0.673,94 1.965,95 39.088,96 13.007,97 100.549,98 16.255,99 0.668,100 1.79,101 42.208,102 13.335,103 93.345,104 17.149,105 54,106 58,107 0.254,108 0.623,109 0.82,110 0.883,111 0.883,112 0.883,113 3.717,114 0.905,115 -2.49,116 -2.52,117 -2.46,119 43.5,120 1,124 2,125 3,133 2,138 8,139 2,140 6,141 2,142 2,151 2,163 5,166 11,168 1,170 6,171 5,174 1,175 9,177 1,179 5,181 4,184 2,185 4,187 2,189 2,191 8,194 2,195 6,197 3,198 1,199 2,202 9,205 11,207 1,211 12,213 1,214 8,217 2,219 3,221 8,223 2,224 8,226 1,228 4,230 7,232 3,233 5,237 2,239 2,242 3800,243 27.101,244 27.101,245 27.101,246 27.101,247 27.101,248 23.885,249 36.005,250 16.333,251 27.862,252 21.167,253 21.167,254 21.167,255 21.167,256 21.167,257 16.155,258 48.297,259 7.659,260 22.361,261 4.469,262 2.092,263 0.815,264 0.41,265 0.41,266 0.41,267 4.412,268 1,271 1,272 1326,273 4.583,276 520.413,280 202.84,283 2.538,284 40.681,287 0.75,288 0.5,289 0.67,290 0.7,291 0.5,292 0.67,293 0.5,294 0.61,295 86.333,296 630,297 4.64,298 4.073,299 6.741,300 4.181,301 3.204,302 4.576,303 2.035,304 11.049,305 3.129,306 4.25,307 3.496,308 6.168,309 3.816,310 2.883,311 3.896,312 1.151,313 9.17,314 2.703,315 4.14,316 3.298,317 6.069,318 3.727,319 2.778,320 3.663,321 1.058,322 8.761,323 2.599,324 3.892,325 3.22,326 5.194}
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{0 CHEMBL2064666,1 3,2 1.609,3 14.053,4 4.066,5 16.529,6 150.139,7 7.385,8 0.279,9 4.399,10 4.526,11 3.963,12 3.907,13 5.401,14 3.886,15 5.008,16 5.186,17 4.367,18 4.372,19 5.969,20 4.318,21 5.328,22 5.548,23 4.499,24 4.566,25 6.224,26 4.477,27 5.412,28 5.649,29 4.439,30 4.592,31 6.307,32 4.479,33 5.468,34 5.725,35 4.434,36 4.587,37 6.361,38 4.467,39 5.413,40 5.677,41 4.45,42 4.538,43 6.301,44 4.414,45 5.26,46 5.507,47 4.409,48 4.394,49 6.264,50 4.3,51 5.099,52 5.327,53 4.233,54 4.259,55 6.121,56 4.17,57 0.052,58 1.106,59 16.044,60 6.633,61 12.177,62 9.097,63 0.42,64 1.842,65 32.801,66 12.138,67 45.824,68 16.684,69 0.664,70 2.34,71 49.636,72 15.819,73 63.822,74 23.145,75 0.584,76 2.472,77 53.039,78 17.854,79 65.778,80 25.811,81 0.808,82 2.473,83 59.177,84 18.182,85 87.28,86 26.729,87 0.732,88 2.287,89 59.54,90 17.825,91 76.855,92 25.97,93 0.758,94 2.002,95 53.028,96 14.107,97 81.66,98 20.693,99 0.735,100 1.758,101 43.908,102 11.874,103 74.259,104 17.119,105 21,106 62,107 0.25,108 0.607,109 0.82,110 0.859,111 0.876,112 0.885,113 3.668,114 0.972,115 -4.57,116 -4.5,117 -4.23,119 38.4,121 5,122 3,124 1,125 4,127 2,133 2,138 2,139 2,140 3,141 1,143 1,146 1,151 1,156 1,157 1,158 1,163 13,165 1,166 4,167 1,168 4,170 4,171 16,173 1,174 1,175 8,177 1,179 7,181 10,183 1,185 12,187 2,188 2,189 6,190 1,191 3,192 3,194 2,195 12,199 4,202 3,203 1,204 2,205 10,206 1,207 1,209 4,211 3,214 10,217 2,219 6,221 2,222 1,223 1,224 5,225 1,226 2,227 1,228 3,229 1,230 4,232 3,233 3,237 2,239 9,242 2734,243 26.11,244 26.11,245 26.11,246 26.11,247 26.11,248 24.244,249 41.162,250 15.117,251 26.866,252 21.174,253 21.174,254 21.174,255 21.174,256 21.174,257 18.214,258 60.808,259 7.067,260 22.382,261 4.581,262 2.292,263 0.918,264 0.668,265 0.558,266 0.503,267 4.384,268 1,271 1,272 1195,273 3.536,275 188.232,276 455.627,277 118.044,281 183.883,283 2.321,284 39.282,287 0.75,288 0.5,289 0.83,290 0.9,291 1,292 0.83,293 1,294 0.83,295 82.333,296 534,297 4.489,298 3.773,299 6.914,300 4.276,301 3.285,302 4.175,303 1.886,304 11.61,305 3.259,306 4.37,307 3.392,308 6.699,309 4.121,310 3.148,311 3.895,312 0.86,313 10.858,314 3.068,315 4.206,316 3.229,317 6.136,318 3.783,319 2.863,320 3.43,321 0.86,322 9.032,323 2.655,324 3.848,325 3.105,326 8.155}
{0 CHEMBL215152,1 1,2 1.681,3 17.459,4 3.771,5 14.22,6 139.919,7 7.577,8 0.55,9 4.307,10 4.435,11 3.872,12 3.771,13 5.458,14 3.774,15 4.827,16 5.009,17 4.192,18 4.127,19 5.96,20 4.108,21 5.066,22 5.289,23 4.202,24 4.231,25 6.134,26 4.185,27 5.098,28 5.335,29 4.193,30 4.241,31 6.171,32 4.167,33 5.13,34 5.377,35 4.134,36 4.209,37 6.206,38 4.136,39 5.077,40 5.331,41 4.092,42 4.138,43 6.191,44 4.06,45 4.929,46 5.166,47 3.994,48 4.054,49 5.984,50 3.995,51 4.815,52 5.039,53 3.982,54 4.027,55 5.903,56 3.96,57 0.144,58 1.088,59 13.616,60 5.607,61 16.068,62 7.417,63 0.443,64 1.651,65 25.778,66 8.954,67 42.252,68 12.355,69 0.745,70 1.9,71 35.981,72 10.775,73 73.434,74 15.28,75 0.757,76 1.89,77 37.31,78 12.071,79 69.112,80 17.533,81 0.771,82 1.811,83 39.939,84 12.191,85 98.061,86 17.545,87 0.945,88 1.666,89 38.803,90 11.702,91 116.811,92 17.129,93 0.766,94 1.581,95 32.383,96 9.258,97 76.09,98 13.442,99 0.524,100 1.523,101 26.96,102 8.899,103 47.555,104 13.035,105 27,106 53,107 0.264,108 0.627,109 0.817,110 0.91,111 0.91,112 0.91,113 3.641,114 0.908,115 -4.34,116 -4.28,117 -4.04,119 38.8,120 1,121 2,125 5,138 8,139 1,140 3,142 1,143 2,144 1,148 1,151 1,161 1,163 4,165 1,166 10,168 3,170 7,171 7,175 4,177 1,178 1,179 2,181 2,184 3,185 9,187 2,188 1,189 5,191 6,194 1,195 2,197 2,199 3,202 3,204 2,205 9,207 2,208 1,209 3,211 7,214 3,217 2,219 3,221 2,223 3,224 6,226 1,228 5,230 5,233 2,235 1,237 4,239 1,242 3142,243 25.342,244 25.342,245 25.342,246 25.342,247 25.342,248 22.558,249 34.329,250 15.396,251 26.028,252 19.724,253 19.724,254 19.724,255 19.724,256 19.724,257 15.519,258 51.895,259 7.238,260 20.792,261 4.385,262 2.082,263 0.87,264 0.28,265 0.28,266 0.28,267 4.338,271 1,272 1367,273 4.472,275 108.317,276 361.786,280 188.83,283 3.229,284 42.761,287 0.75,288 0.5,289 0.67,290 0.7,291 0.5,292 0.67,293 0.5,294 0.61,295 82,296 646,297 4.526,298 3.63,299 6.529,300 4.042,301 3.075,302 4.464,303 1.987,304 10.306,305 2.975,306 4.148,307 3.155,308 5.728,309 3.759,310 2.788,311 3.75,312 0.86,313 8.122,314 2.706,315 4.055,316 2.951,317 5.572,318 3.626,319 2.667,320 3.657,321 0.8,322 7.651,323 2.553,324 3.774,325 2.876,326 5}
{0 CHEMBL221959,1 1,2 1.567,3 8.696,4 1.372,5 1.883,6 87.831,7 7.266,8 0.4,9 3.858,10 3.998,11 3.408,12 3.334,13 4.964,14 3.324,15 4.432,16 4.643,17 3.762,18 3.746,19 5.408,20 3.709,21 4.697,22 4.92,23 3.855,24 3.924,25 5.691,26 3.859,27 4.853,28 5.103,29 3.837,30 3.998,31 5.874,32 3.897,33 4.905,34 5.183,35 3.72,36 4.009,37 5.772,38 3.869,39 4.827,40 5.104,41 3.663,42 3.916,43 5.78,44 3.789,45 4.681,46 4.945,47 3.517,48 3.743,49 5.755,50 3.62,51 4.465,52 4.769,53 3.189,54 3.443,55 5.493,56 3.305,57 0.02,58 0.693,59 9.09,60 3.332,61 9.916,62 4.976,63 0.278,64 1.085,65 18.121,66 5.65,67 22.406,68 8.677,69 0.25,70 1.31,71 24.153,72 7.443,73 39.951,74 11.503,75 0.483,76 1.411,77 29.517,78 9.021,79 72.937,80 13.754,81 0.428,82 1.405,83 31.822,84 9.981,85 54.136,86 15.511,87 0.334,88 1.307,89 29.314,90 8.631,91 58.293,92 13.766,93 0.462,94 1.106,95 25.547,96 7.42,97 68.581,98 11.408,99 0.26,100 0.837,101 21.112,102 5.624,103 40.757,104 9.33,105 20,106 35,107 0.274,108 0.644,109 0.86,110 0.876,111 0.876,112 0.876,113 3.189,114 0.933,115 -3,116 -3.01,117 -2.9,119 37.2,120 1,121 2,122 1,124 1,125 2,127 1,138 1,139 1,143 1,144 1,147 1,151 2,154 1,163 3,165 3,166 8,168 1,170 2,171 1,174 1,175 6,184 3,185 3,187 2,191 2,194 2,195 5,202 4,205 4,209 1,211 3,213 3,214 5,217 1,219 2,221 1,224 2,230 1,232 2,233 2,235 1,237 1,242 709,243 15.56,244 15.56,245 15.56,246 15.56,247 15.56,248 14.091,249 16.291,250 9.16,251 15.944,252 12.26,253 12.26,254 12.26,255 12.26,256 12.26,257 9.988,258 21.804,259 4.2,260 12.86,261 3.859,262 1.738,263 0.5,264 0.407,265 0.407,266 0.407,267 3.866,269 1,270 1,271 1,272 426,273 3.317,275 47.145,276 133.048,279 88.881,283 1.361,284 22.725,287 1,288 1,289 1,290 0.8,291 0.5,292 1,293 1,294 0.9,295 50,296 200,297 4.557,298 4.093,299 6.803,300 4.155,301 3.205,302 4.474,303 2.65,304 11.145,305 3.046,306 4.076,307 3.667,308 6.327,309 3.883,310 2.919,311 3.218,312 1.749,313 9.527,314 2.813,315 3.838,316 3.345,317 5.963,318 3.58,319 2.613,320 3.056,321 0.8,322 8.302,323 2.528,324 3.477,325 2.888,326 5.427}
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