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6.76,138 7.675,139 27,140 9,141 25,142 5.264,143 9.399,144 4.38,145 14.718,146 94.169,147 3.517,148 210.357,149 110.096,150 3.038,151 480.909,152 45.087,153 1.369,154 4.443,155 4.354,156 4.207,157 4.771,158 2.275,159 7.509,160 -0.637,161 2.226,162 1.903,163 5.493,164 6569,165 12331,166 29.029,167 43.193,168 46.498,169 45.598,170 42.377,171 42.285,172 135.428,173 40.448,174 3.554,175 3.432,176 3.479,177 3.279,178 3.286,179 3.031,180 0.174,181 4.071} {0 CHEMBL1214,1 4.851,2 31.09,3 91.388,4 116.107,5 1.333,6 249.86,7 162.48,8 3,9 2,10 53.502,11 2.377,12 1.984,13 1,14 3.118,15 0.795,16 0.929,17 0.934,18 -0.122,19 2.986,20 1.03,21 4.094,22 4.419,23 13.6,24 8.183,25 5.588,26 185.946,27 3.186,28 185.946,29 47.944,30 -3.721,31 1,32 7.472,33 7.421,34 6.35,35 4.74,36 2.715,37 1.286,38 89.75,39 3.604,40 3.448,41 3.433,42 4.432,43 4.131,44 4.264,45 3.969,46 3.81,47 3.804,48 4.647,49 5.992,50 4.576,51 3.848,52 3.653,53 3.546,54 5.82,55 3.489,56 1.189,57 9.056,58 20.681,59 6.905,60 0.674,61 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4.988,164 6956,165 13320,166 29.477,167 44.739,168 47.84,169 46.548,170 43.69,171 43.58,172 138.432,173 42.078,174 3.564,175 3.482,176 3.502,177 3.281,178 3.29,179 3.033,180 0.167,181 4.523} {0 CHEMBL127,1 5.289,2 20.774,3 61.96,4 75.471,5 0.889,6 146.366,7 125.393,8 1,9 2,10 46.937,11 1.94,12 1.437,13 0.803,14 3.161,15 0.752,16 0.71,17 1.166,18 -0.049,19 2.786,20 1.014,21 4.127,22 4.443,23 9.8,24 9.967,25 5.576,26 160.801,28 160.801,29 36.249,30 -0.727,31 0.803,32 7.429,33 6.45,34 4.459,35 4.33,36 2.819,37 1.446,38 86.438,39 3.625,40 3.512,41 3.478,42 4.618,43 4.213,44 4.237,45 4.058,46 4.102,47 4.018,48 5.048,49 6.05,50 5.225,51 3.748,52 3.547,53 3.537,54 5.863,55 3.503,56 1.466,57 10.937,58 45.536,59 11.325,60 0.747,61 0.863,62 24.346,63 6.362,64 113.591,65 8.822,66 43,67 3.305,68 16.535,69 16.535,70 16.535,71 16.535,72 16.535,73 16.965,74 13.714,75 13.714,76 13.714,77 13.714,78 13.714,79 12.521,80 14.411,81 3.967,82 515,83 53.754,84 58.5,85 248,86 2.246,87 3.096,88 2.923,89 1.977,90 2.106,91 5.837,92 1.857,93 2.622,94 2.238,95 4.617,96 2.343,97 1.377,98 4.044,99 1.306,100 1.938,101 4.143,102 2.852,103 3.649,104 1.588,105 2.959,106 0.434,107 0.269,108 -0.726,109 -0.776,110 -0.668,111 0.3,112 12.2,113 31.252,114 31,115 8.099,116 0.435,117 6758,118 20839,119 1.695,120 4.67,121 1102.69,122 8.116,123 13407.9,124 4.561,125 125.415,126 0.043,127 22.473,128 3.367,129 3.784,130 4.644,131 4.796,132 5.81,133 383.52,134 3.367,135 4.963,136 5.861,137 6.801,138 7.731,139 28,140 9,141 26,142 5.583,143 9.817,144 4.478,145 15.888,146 188.338,147 3.53,148 225.991,149 120.211,150 3.208,151 529.955,152 51.738,153 1.377,154 4.466,155 4.374,156 4.044,157 4.691,158 2.852,159 7.468,160 -0.726,161 2.246,162 1.977,163 5.837,164 6883,165 12168,166 32.313,167 44.624,168 48.591,169 47.558,170 44.004,171 43.842,172 138.849,173 41.78,174 3.607,175 3.519,176 3.581,177 3.307,178 3.334,179 3.081,180 0.169,181 3.839} {0 CHEMBL1436,1 4.905,2 40.862,3 92.315,4 108.458,5 1.543,6 225.687,7 175.927,8 4,9 3,10 57.119,11 2.192,12 1.984,13 1.094,14 3.115,15 1.205,16 1.024,17 1.135,18 -0.111,19 3.02,20 1.053,21 4.111,22 4.394,23 17.8,24 8.183,25 5.776,26 174.989,27 54.311,28 174.989,29 47.572,30 -3.986,31 1.094,32 7.443,33 7.423,34 5.114,35 4.919,36 2.906,37 1.213,38 90.7,39 3.733,40 3.4,41 3.444,42 4.449,43 4.163,44 4.301,45 3.933,46 3.845,47 3.909,48 4.752,49 6.177,50 4.795,51 4.063,52 3.886,53 3.578,54 6.126,55 3.568,56 1.167,57 8.043,58 25.052,59 7.728,60 1.118,61 0.893,62 21.096,63 6.833,64 184.855,65 7.548,66 44,67 3.408,68 19.181,69 19.181,70 19.181,71 19.181,72 19.181,73 19.647,74 15.233,75 15.233,76 15.233,77 15.233,78 15.233,79 12.476,80 15.973,81 4.08,82 654,83 59.517,84 68,85 316,86 2.151,87 3.252,88 2.914,89 1.955,90 2.324,91 5.043,92 1.856,93 2.849,94 2.586,95 4.584,96 2.492,97 1.571,98 4.377,99 1.403,100 2.558,101 4.003,102 3.149,103 3.549,104 2.048,105 3,106 0.849,107 1.257,108 0.316,109 0.408,110 0.291,111 0.655,112 13.1,113 25.791,114 33.1,115 6.888,116 0.625,117 9726,118 41359,119 1.723,120 4.826,121 1467.32,122 8.425,123 19790.6,124 4.756,125 146.89,126 0.018,127 29.655,128 3.466,129 3.807,130 4.575,131 4.7,132 6.658,133 424.43,134 3.466,135 5.017,136 5.883,137 6.79,138 7.689,139 31,140 13,141 29,142 6.5,143 10.815,144 4.826,145 15.272,146 141.253,147 3.898,148 252.15,149 140.881,150 4.326,151 500.191,152 47.404,153 1.571,154 4.489,155 4.401,156 4.377,157 4.758,158 3.149,159 7.647,160 0.316,161 2.151,162 1.955,163 5.043,164 9763,165 20240,166 29.875,167 47.872,168 52.614,169 49.482,170 46.666,171 46.662,172 137.649,173 44.537,174 3.569,175 3.474,176 3.499,177 3.391,178 3.417,179 3.128,180 0.149,181 4.638} {0 CHEMBL148,1 4.593,2 26.004,3 59.454,4 69.987,5 0.872,6 154.153,7 78.973,8 2,9 2,10 36.267,11 1.437,12 0.849,13 0.141,14 2,15 -0.064,16 0.667,17 1.065,18 -0.159,19 2.769,20 1.024,21 3.761,22 4.078,23 10.8,24 6.467,25 5.056,26 135.657,27 16.786,28 135.657,29 23.276,30 -0.683,31 0.141,32 7.427,33 6.351,34 4.404,35 4.234,36 2.338,37 1.378,38 60.244,39 3.374,40 3.204,41 3.177,42 4.234,43 3.821,44 3.924,45 3.622,46 3.569,47 3.478,48 4.354,49 5.429,50 4.309,51 3.275,52 2.882,53 2.951,54 5.423,55 2.895,56 0.872,57 7.053,58 17.992,59 4.705,60 0.565,61 0.501,62 14.913,63 3.492,64 87.331,65 4.877,66 30,67 3.058,68 13.096,69 13.096,70 13.096,71 13.096,72 13.096,73 13.557,74 10.308,75 10.308,76 10.308,77 10.308,78 10.308,79 8.963,80 10.998,81 3.704,82 350,83 40.087,84 45.5,85 173,86 1.714,87 2.703,88 2.383,89 1.413,90 1.651,91 3.294,92 1.343,93 2.082,94 1.662,95 3.283,96 1.84,97 0.906,98 1.799,99 0.834,100 0.957,101 3.089,102 0.43,103 2.461,104 0.439,105 1.88,106 -0.369,107 -0.102,108 -1,109 -1.397,110 -0.994,111 -0.604,112 9.367,113 19.451,114 23.633,115 5.938,116 0.238,117 3196,118 11845,119 1.622,120 4.28,121 608.633,122 7.342,123 6189.67,124 4.201,125 88.123,126 0.016,127 17.2,128 3.091,129 3.434,130 4.234,131 4.407,132 5.078,133 299.39,134 3.091,135 4.635,136 5.509,137 6.435,138 7.353,139 21,140 8,141 20,142 4.556,143 7.468,144 3.297,145 11.361,146 94.169,147 3.121,148 145.393,149 86.439,150 2.737,151 406.613,152 37.876,153 0.906,154 4.111,155 4.003,156 1.799,157 4.29,158 0.43,159 7.132,160 -1,161 1.714,162 1.413,163 3.294,164 3426,165 6643,166 23.813,167 32.062,168 35.044,169 34.828,170 31.453,171 31.458,172 94.624,173 29.624,174 3.442,175 3.262,176 3.301,177 3.198,178 3.258,179 2.96,180 0.222,181 4.886} {0 CHEMBL1727,1 4.724,2 21.242,3 51.195,4 69.276,5 1.029,6 188.192,7 109.446,8 2,10 40.655,11 1.976,12 1.437,13 0.802,14 2.682,15 0.658,16 0.883,17 0.988,18 -0.168,19 2.795,20 1.021,21 3.989,22 4.234,23 9.8,24 7.317,25 5.52,26 118.118,27 6.371,28 118.118,29 35.967,30 -1.345,31 0.802,32 7.432,33 6.351,34 4.69,35 4.414,36 2.712,37 1.432,38 65.602,39 3.531,40 3.391,41 3.367,42 4.332,43 4.045,44 4.018,45 3.826,46 3.706,47 3.681,48 4.495,49 5.774,50 4.448,51 3.477,52 3.498,53 3.409,54 5.637,55 3.326,56 1.102,57 8.016,58 18.409,59 5.908,60 0.443,61 0.724,62 16.463,63 5.747,64 84.775,65 6.713,66 38,67 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