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{0 CHEMBL104070,7 -0.159,14 74.264,18 2,19 2,20 0.691,21 2,22 7.76,23 0.831,24 0.341,25 0.186,26 5.232,27 0.912,28 0.86,29 0.701,30 4.014,31 7.095,32 0.087,33 4.751,34 3.25,35 2.35,36 2.44,37 2.397,38 2.717,39 1.424,40 0.211,41 3.993,42 2.249,43 2.307,44 1.971,45 1.516,46 1.61,47 2.011,48 0.745,49 0.209,50 0.642,54 0.675,55 0.634,56 94.527,57 2.03,58 0.491,59 -0.194,60 0.446,61 0.639,62 0.176,63 0.382,64 1.268,65 57.53,66 67.34,67 3.902,69 0.542,70 3.189,71 3.062,72 2.784,73 3.4,74 1.934,75 0.796,76 4.297,77 0.093,78 6.371,79 2.284,80 2.325,81 2.44,82 0.944,83 0.445,84 0.375,86 0.32,87 0.683,88 0.72,89 91.287,90 2.42,91 1.066,92 0.263,93 2.873,94 4.207,95 3.985,96 4.128,97 3.997,98 4.217,99 3.939,100 3.663,101 3.881,102 5.1,103 9.446,104 4.334,105 15.597,106 0.931,107 -2.889,108 -0.142,109 -2.889,111 5.253,112 0.445,113 0.215,114 0.125,115 0.083,116 0.497,118 1.533,119 1.526,120 44.88,123 0.851,124 2,125 1,126 0.37,127 1.533,128 0.701,129 0.782,130 1.509,131 1.264,132 3.908,133 3.908,134 6.908,135 3.97,136 3.908,137 2.021,138 93.287,139 93.287,140 0.054,141 0.445,142 0.616,143 1.054,144 4.356,145 0.34,146 10.692,147 11.835,148 1.756,149 -0.594,150 10.44,151 12.929,152 14.059,153 15.172,154 16.3,155 17.421,156 0.545,157 0.219,158 0.125,159 -0.148,160 0.965,161 34.8,162 0.669,163 9.359,164 3.859,166 7.116,167 3.324,168 11.692,169 0.093,170 3.324,171 4.056}
{0 CHEMBL104125,7 -0.161,14 74.264,18 4,19 2,20 0.429,21 2,23 0.99,24 0.366,25 0.176,26 5.771,27 0.966,28 0.98,29 1.108,30 4.081,31 13.986,32 0.097,33 4.393,34 3.854,35 3.407,36 3.311,37 3.05,38 3.366,39 5.101,40 0.043,41 4.036,42 2.697,43 2.758,44 2.571,45 2.599,46 2.582,47 2.034,48 1.089,49 0.821,50 0.984,51 0.08,52 0.72,53 0.666,54 0.878,55 0.921,56 94.527,57 2.068,58 0.93,59 -0.038,60 0.446,61 0.791,62 0.451,63 3.283,64 -0.187,65 57.53,66 67.34,67 3.967,68 5,69 0.667,70 3.741,71 3.737,72 3.673,73 4.109,74 2.71,75 0.806,76 7.607,77 0.202,78 9.872,79 2.787,80 2.854,81 2.921,82 1.181,83 0.882,84 0.824,85 0.167,86 0.865,87 1.009,88 1.051,89 123.697,90 4.12,91 2.022,92 0.675,93 2.52,94 4.695,95 4.276,96 4.429,97 4.288,98 4.464,99 4.498,100 4.284,101 4.472,102 7.483,103 24.833,104 8.983,105 22.03,106 5.938,107 0.975,108 -0.06,109 0.975,110 0.042,111 5.419,112 0.986,113 0.087,114 0.119,115 0.078,116 0.71,117 9,118 1.511,119 1.501,123 0.968,124 4,125 2,126 0.406,127 2.944,128 2.116,129 2.506,130 1.281,131 0.96,132 4.069,133 4.069,134 7.069,135 4.018,136 4.069,137 2.061,138 132.452,139 135.207,140 0.021,141 0.276,142 0.587,143 1.18,144 6.728,145 -0.174,146 11.177,147 12.42,148 3.201,149 0.039,150 9.422,151 13.617,152 14.85,153 16.069,154 17.301,155 18.528,156 0.446,157 0.109,158 0.182,159 -0.19,160 0.963,161 40,162 0.686,163 8.181,164 2.681,165 8,166 7.39,167 3.438,168 12.882,169 -0.01,170 3.438,171 4.824}
{0 CHEMBL104341,7 -0.151,14 74.264,18 4,19 2,20 0.429,21 2,23 1.048,24 0.315,25 0.162,26 5.468,27 0.814,28 0.973,29 0.91,30 4.127,31 11.277,32 0.032,33 4.746,34 3.847,35 3.216,36 3.076,37 2.613,38 3.016,39 4.37,40 0.224,41 4.065,42 2.559,43 2.608,44 2.457,45 2.485,46 2.473,47 2.046,48 1.109,49 0.754,50 0.857,51 0.066,52 0.581,53 0.538,54 0.715,55 0.754,56 94.527,57 2.086,58 0.58,59 -0.122,60 0.429,61 0.835,62 0.443,63 2.463,64 -0.142,65 57.53,66 92.64,67 4.02,68 2,69 0.674,70 3.885,71 3.883,72 3.645,73 3.942,74 2.232,75 0.87,76 7.253,77 0.169,78 41.692,79 2.83,80 2.786,81 2.856,82 1.122,83 0.882,84 0.849,85 0.165,86 0.817,87 0.991,88 1.035,89 112.881,90 5.396,91 3.865,92 0.446,93 2.689,94 4.797,95 4.287,96 4.416,97 4.292,98 4.429,99 4.43,100 4.15,101 4.343,102 8.112,103 21.966,104 9.31,105 18.217,106 5.008,107 1.446,108 0.159,109 1.446,111 5.601,112 0.986,113 0.217,114 0.103,115 0.068,116 0.708,117 8,118 1.538,119 1.535,123 0.857,124 2,125 2,126 0.375,127 2.498,128 1.379,129 1.857,130 1.169,131 1.066,132 4.211,133 4.211,134 7.211,135 4.054,136 4.211,137 2.057,138 116.881,139 116.881,140 0.027,141 0.786,142 0.597,143 1.204,144 6.578,145 0.148,146 11.311,147 12.552,148 4.734,149 -0.268,150 9.596,151 13.752,152 14.987,153 16.209,154 17.445,155 18.678,156 0.501,157 0.107,158 0.206,159 -0.156,160 1.196,161 37.9,162 0.704,163 8.035,164 2.535,165 8,166 7.458,167 3.496,168 13.233,169 -0.251,170 3.496,171 4}
{0 CHEMBL104389,7 -0.06,14 74.264,18 4,19 2,20 0.425,21 2,22 7.76,23 0.753,24 0.32,25 0.175,26 5.625,27 0.833,28 0.789,29 0.688,30 4.083,31 16.528,32 0.088,33 4.744,34 3.759,35 3.414,36 3.323,37 3.842,38 3.987,39 6.562,40 -0.135,41 4.049,42 2.854,43 2.911,44 2.687,45 2.722,46 2.705,47 2.049,48 1.181,49 0.821,50 1.044,51 0.133,52 0.811,53 0.769,54 1.029,55 1.044,56 94.527,57 2.077,58 0.731,59 -0.087,60 0.441,61 1.085,62 0.908,63 3.102,64 -0.158,65 57.53,66 67.34,67 3.974,68 4,69 0.701,70 3.77,71 3.776,72 3.648,73 4.313,74 3.011,75 1.324,76 7.156,77 0.779,78 9.557,79 2.735,80 2.854,81 2.925,82 1.181,83 0.886,84 0.821,85 0.218,86 0.886,87 1.062,88 1.107,89 127.445,90 4.274,91 1.946,92 1.077,93 2.864,94 4.686,95 4.378,96 4.527,97 4.488,98 4.671,99 4.661,100 4.319,101 4.52,102 8.28,103 23.354,104 9.419,105 18.073,106 5.99,107 2.136,108 0.149,109 2.136,110 0.062,111 5.433,112 1.018,113 -0.232,114 0.117,115 0.077,116 0.806,117 10,118 1.549,119 1.538,120 44.88,123 0.813,124 4,125 2,126 0.362,127 3.061,128 2.5,129 3.537,130 1.341,131 0.602,132 4.074,133 4.074,134 7.074,135 4.029,136 4.074,137 2.07,138 141.71,139 141.71,140 0.03,141 0.07,142 0.606,143 0.981,144 6.508,145 0.381,146 11.327,147 12.55,148 3.192,149 -0.126,150 9.583,151 13.73,152 14.948,153 16.153,154 17.372,155 18.589,156 0.536,157 0.152,158 0.162,159 -0.052,160 1.141,161 36.4,162 0.68,163 8.804,164 3.304,165 8,166 7.39,167 3.441,168 12.876,169 -0.059,170 3.441,171 4.387}
{0 CHEMBL106132,7 -0.058,14 74.264,18 4,19 2,20 0.425,21 2,22 7.76,23 0.753,24 0.32,25 0.168,26 6.72,27 0.833,28 0.789,29 0.688,30 4.086,31 15.068,32 0.088,33 4.767,34 4.173,35 3.498,36 3.549,37 3.491,38 3.801,39 6.433,40 0.107,41 4.054,42 2.746,43 2.814,44 2.597,45 2.623,46 2.609,47 2.052,48 1.181,49 0.821,50 1.022,51 0.103,52 0.757,53 0.698,54 0.948,55 0.982,56 94.527,57 2.078,58 0.866,59 -0.03,60 0.441,61 1.625,62 1.046,63 3.324,64 -0.294,65 57.53,66 67.34,67 3.98,68 4,69 1.41,70 3.779,71 3.837,72 3.77,73 4.524,74 2.973,75 1.449,76 8.676,77 0.483,78 9.557,79 2.844,80 2.854,81 2.925,82 1.206,83 0.886,84 0.853,85 0.218,86 0.882,87 1.062,88 1.107,89 128.1,90 4.261,91 2.208,92 0.551,93 2.927,94 5.06,95 4.378,96 4.527,97 4.493,98 4.656,99 4.78,100 4.617,101 4.772,102 8.28,103 28.408,104 11.653,105 23.71,106 6.056,107 2.136,108 0.021,109 2.136,110 0.058,111 5.525,112 1.441,113 -0.021,114 0.111,115 0.073,116 1.313,117 10,118 1.549,119 1.538,120 44.88,123 0.792,124 4,125 2,126 0.363,127 3.017,128 2.164,129 3.102,130 1.341,131 1.008,132 4.176,133 4.176,134 7.176,135 4.035,136 4.176,137 2.069,138 143.71,139 149.71,140 0.016,141 0.25,142 0.601,143 1.086,144 6.508,145 -0.154,146 11.411,147 12.644,148 3.332,149 0.286,150 9.583,151 13.838,152 15.064,153 16.28,154 17.508,155 18.735,156 0.536,157 0.152,158 0.181,159 -0.063,160 0.996,161 36.4,162 0.68,163 8.804,164 3.304,165 8,166 7.488,167 3.518,168 13.305,169 -0.156,170 3.518,171 5.046}
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