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{0 CHEMBL17154,1 2,2 0.641,3 0.926,4 3,5 105.94,6 0.204,7 0.111,8 5,9 2.062,10 22.836,11 1.497,12 1.5,13 0.45,14 0.285,15 0.166,16 0.105,17 0.484,18 3,19 2,20 13.25,21 3.664,22 29.122,23 29.122,24 29.122,25 29.122,26 29.122,27 5.82,28 48,29 4.657,30 5.805,31 4.186,32 4.339,33 5.799,34 5.099,35 4.785,36 2.58,37 4.714,38 2.349,39 15.554,40 0.446,41 64.175,42 0.931,43 106.709,44 0.869,45 16.627,46 134.496,47 68.235,48 0.305,49 41.357,50 0.331,51 39.797,52 24,53 1,54 2,55 1,56 1,57 1,58 1,59 2,61 1,62 2,63 4,69 1,72 3.317,73 30.864,74 1,75 1,76 1,77 1.769,78 0.963,79 0.805,80 0.59,81 -0.552,82 0.176,83 8.832,84 0.935,86 1.5,87 0.02,89 1.958,90 1.778,91 -0.168,92 3.75,93 1.875,94 2.62,95 4.743,96 0.438,98 1,99 2,100 2,101 5,102 5,103 1,104 9,105 5.7,106 3.639,107 3.38,108 43.667,109 114.973,110 114.973,111 114.973,112 20.297,113 114.973,114 114.973,115 0.152,116 2,117 1.429,118 0.571,119 11.711,120 4.618,121 114.973,122 320.662,123 9.033,124 6.351,125 4.666,126 4.433,127 3.899,128 3.483,129 3.3,130 0.957,131 0.922,132 1.325,133 0.764,134 0.705,135 0.993,136 1.122,137 1.111,138 1.902,139 -1.886,140 40.405,141 72.83,142 72.83,143 25.799,144 115.626,145 212.81,146 273.887,147 11.707,148 0.732,149 11.707,150 0.07,151 309.092,152 274.109,153 254,154 6.5,155 53.647,156 3.574,157 3.665,158 3.077,159 2.999,160 3.003,161 4.205,162 4.353,163 3.478,164 3.43,165 5.368,166 3.403,167 4.489,168 4.704,169 3.405,170 3.471,171 5.47,172 3.414,173 4.4,174 4.572,175 3.544,176 3.251,177 3.297,178 3.236,179 3.07,180 3.078,181 4.035,182 4.246,183 2.669,184 2.99,185 2.883,186 3.922,187 5.317}
{0 CHEMBL17425,2 0.708,3 0.594,5 47.084,6 0.232,7 0.109,9 0.683,10 22.266,11 1.599,12 1.606,13 0.412,14 0.258,15 0.155,16 0.099,17 0.114,18 2,19 2,20 11.5,21 3.689,22 19.452,23 19.452,24 19.452,25 19.452,26 19.452,27 5.82,28 14,29 4.286,30 5.441,31 3.156,32 3.356,33 4.485,34 3.367,39 14.883,40 0.434,41 47.783,42 0.734,43 97.169,44 0.367,45 6.53,46 47.94,47 20.529,52 5,54 2,59 2,63 2,72 1.732,73 22.551,74 1,75 1,76 0.83,77 1.092,78 0.963,79 0.519,80 -0.642,81 -1.315,82 -0.943,83 6.205,86 1.25,89 2.182,90 2,91 -0.646,92 2.585,93 0.73,94 2.044,95 4.133,96 0.833,99 2,100 2,101 4,102 4,104 6,105 3.5,106 2.472,107 1.098,108 32.667,109 72.29,110 72.29,111 72.29,112 19.452,113 72.29,114 72.29,116 3,117 1.5,118 0.6,119 6.753,120 1.952,121 72.29,122 185.91,123 4.866,124 4.678,125 4.192,126 3.483,127 3.14,128 3.133,129 2.282,130 0.165,131 0.152,132 0.6,133 0.042,135 0.52,136 0.473,137 0.536,139 -0.648,140 20.315,141 52.6,142 52.6,143 14.7,144 75.459,145 139.76,146 175.88,147 8.293,148 0.691,149 8.293,150 0.063,151 266.942,152 236.061,153 220,154 4.167,155 36.401,156 3.199,157 3.255,158 2.872,159 2.693,160 2.734,161 3.879,162 3.974,163 3.366,164 3.2,165 5.059,166 3.219,167 4.147,168 4.335,169 3.151,170 3.146,171 5.195,172 3.117,173 3.841,174 4.015,175 2.988,176 2.621,177 2.666,178 1.639,179 1.748,180 1.731,181 1.792,182 1.923,183 0.37,184 0.526,185 0.561,187 5.703}
{0 CHEMBL200117,1 22,2 0.583,3 0.914,4 29,5 494.386,6 0.163,7 0.089,8 19,9 9.553,10 24.131,11 1.439,12 1.439,13 0.457,14 0.297,15 0.189,16 0.119,17 0.428,18 29,19 32,20 48,21 5.189,22 184.8,23 184.8,24 204.397,25 184.8,26 184.8,27 7.466,28 404,29 5.53,30 6.27,31 5.358,32 5.612,33 6.273,34 6.232,35 6.132,36 4.323,37 6.037,38 4.195,39 13.976,40 0.27,41 45.49,42 0.357,43 62.49,44 0.5,45 49.148,46 74.229,47 68.554,48 0.462,49 64.038,50 0.343,51 53.154,52 39,53 1,55 1,56 1,57 1,59 29,62 1,63 6,65 2,67 1,69 25,71 25,72 5,73 36.251,74 0.5,75 0.5,76 0.61,77 2.48,78 1.986,79 1.935,80 1.787,81 1.953,82 1.747,83 38.06,84 0.926,85 0.247,86 1.785,87 0.341,88 0.258,89 2.062,90 1.969,91 -0.479,92 5.011,93 2.363,94 2.701,95 6.399,96 0.5,97 1,98 1,99 2,100 2,101 6,102 6,103 1,104 21.333,105 15.233,106 9.667,107 12.658,108 91.667,109 113.707,110 113.707,111 133.304,112 69.473,113 133.304,114 133.304,115 0.216,116 1,117 1.095,118 0.095,119 31.506,120 16.874,121 133.304,122 812.49,123 19.569,124 6.351,125 5.231,126 4.816,127 4.704,128 4.497,129 4.266,130 1.716,131 1.672,132 1.865,133 1.612,134 1.557,135 1.799,136 1.779,137 1.811,138 2.268,140 102.93,141 89.63,142 89.63,143 80.092,144 318.168,145 561.59,146 768.09,147 29.572,148 0.704,149 29.572,150 0.077,151 568.737,152 546.034,153 510,154 22.405,155 166.842,156 4.494,157 4.608,158 3.958,159 4.057,160 4.004,161 5.053,162 5.23,163 4.254,164 4.445,165 6.048,166 4.354,167 5.353,168 5.595,169 4.316,170 4.57,171 6.284,172 4.446,173 5.364,174 5.612,175 4.291,176 4.559,177 4.433,178 4.253,179 4.545,180 4.411,181 5.318,182 5.569,183 4.197,184 4.506,185 4.365,186 5.26,187 6.658}
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{0 CHEMBL202197,1 6,2 0.625,3 0.862,5 176.567,6 0.179,7 0.099,8 7,9 4.134,10 23.601,11 1.499,12 1.499,13 0.441,14 0.282,15 0.179,16 0.112,17 0.435,18 15,19 17,20 42.25,21 5.12,22 145.132,23 145.132,24 197.626,25 145.132,26 145.132,27 7.424,28 146,29 5.269,30 5.966,31 4.718,32 4.901,33 5.943,34 5.855,35 5.771,36 3.589,37 5.571,38 3.579,39 18.973,40 0.322,41 47.678,42 0.419,43 49.015,44 0.574,45 23.12,46 69.031,47 50.826,48 0.526,49 66.036,50 0.373,51 48.869,52 23,55 1,56 1,57 1,58 1,59 13,61 2,62 1,63 6,65 2,67 1,68 1,69 8,71 9,72 3.606,73 36.929,74 1,75 1,76 0.77,77 2.48,78 1.955,79 1.748,80 1.548,81 1.868,82 1.394,83 34.319,84 0.923,85 0.19,86 1.785,87 0.284,88 0.212,89 2.087,90 1.957,91 0.867,92 4.574,93 1.139,94 2.712,95 5.983,96 0.7,97 1,98 1,99 2,100 2,101 7,102 7,104 15.333,105 8.567,106 6.667,107 5.615,108 75.667,109 113.707,110 113.707,111 166.201,112 38.63,113 166.201,114 166.201,115 0.137,116 1,117 1.095,118 0.095,119 19.832,120 8.494,121 166.201,122 487.899,123 15.079,124 6.351,125 5.231,126 5.03,127 4.815,128 4.64,129 4.493,130 1.375,131 1.361,132 1.649,133 1.264,134 1.193,135 1.53,136 1.514,137 1.528,140 58.269,141 115.65,142 115.65,143 47.216,144 200.262,145 347.69,146 480.399,147 21.087,148 0.703,149 21.087,150 0.072,151 530.049,152 505.144,153 470,154 13.3,155 110.461,156 3.996,157 4.079,158 3.649,159 3.573,160 3.58,161 4.458,162 4.566,163 3.995,164 3.949,165 5.756,166 3.942,167 4.691,168 4.833,169 4.074,170 4.058,171 5.975,172 4.033,173 4.724,174 4.885,175 4.027,176 4.031,177 4.002,178 3.952,179 3.991,180 3.949,181 4.619,182 4.786,183 3.872,184 3.915,185 3.866,186 4.522,187 5.886}
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