"molecule_id","AAC","AECC","ALOGP","ALOGP2","AMR","AMW","ARR","ATS1e","ATS1i","ATS1m","ATS1p","ATS1s","ATS1v","ATS2e","ATS2i","ATS2m","ATS2p","ATS2s","ATS2v","ATS3e","ATS3i","ATS3m","ATS3p","ATS3s","ATS3v","ATS4e","ATS4i","ATS4m","ATS4p","ATS4s","ATS4v","ATS5e","ATS5i","ATS5m","ATS5p","ATS5s","ATS5v","ATS6e","ATS6i","ATS6m","ATS6p","ATS6s","ATS6v","ATS7e","ATS7i","ATS7m","ATS7p","ATS7s","ATS7v","ATS8e","ATS8i","ATS8m","ATS8p","ATS8s","ATS8v","ATSC1e","ATSC1i","ATSC1m","ATSC1p","ATSC1s","ATSC1v","ATSC2e","ATSC2i","ATSC2m","ATSC2p","ATSC2s","ATSC2v","ATSC3e","ATSC3i","ATSC3m","ATSC3p","ATSC3s","ATSC3v","ATSC4e","ATSC4i","ATSC4m","ATSC4p","ATSC4s","ATSC4v","ATSC5e","ATSC5i","ATSC5m","ATSC5p","ATSC5s","ATSC5v","ATSC6e","ATSC6i","ATSC6m","ATSC6p","ATSC6s","ATSC6v","ATSC7e","ATSC7i","ATSC7m","ATSC7p","ATSC7s","ATSC7v","ATSC8e","ATSC8i","ATSC8m","ATSC8p","ATSC8s","ATSC8v","BAC","BBI","BIC0","BIC1","BIC2","BIC3","BIC4","BIC5","BID","BLI","BLTA96","BLTD48","BLTF96","Br.094","C.","C.001","C.002","C.003","C.006","C.013","C.016","C.020","C.024","C.025","C.026","C.029","C.032","C.040","C.041","CATS2D_00_DD","CATS2D_00_DP","CATS2D_00_PP","CATS2D_01_LL","CATS2D_02_AA","CATS2D_02_AL","CATS2D_02_AP","CATS2D_02_DA","CATS2D_02_DD","CATS2D_02_DL","CATS2D_02_LL","CATS2D_02_PL","CATS2D_03_AL","CATS2D_03_DL","CATS2D_03_LL","CATS2D_03_PL","CATS2D_04_AA","CATS2D_04_AL","CATS2D_04_DA","CATS2D_04_DD","CATS2D_04_DL","CATS2D_04_DP","CATS2D_04_LL","CATS2D_04_PL","CATS2D_05_AL","CATS2D_05_DD","CATS2D_05_DL","CATS2D_05_DP","CATS2D_05_LL","CATS2D_06_AL","CATS2D_06_DL","CATS2D_06_LL","CATS2D_06_PL","CATS2D_07_AL","CATS2D_07_AP","CATS2D_07_DA","CATS2D_07_DL","pXC50"
{1 1.637,2 7.316,3 3.574,4 12.775,5 71.62,6 8.443,7 0.81,8 3.548,9 3.646,10 3.205,11 3.104,12 4.831,13 3.121,14 3.956,15 4.075,16 3.562,17 3.46,18 5.329,19 3.451,20 4.186,21 4.366,22 3.537,23 3.544,24 5.334,25 3.514,26 4.168,27 4.354,28 3.455,29 3.452,30 5.483,31 3.392,32 4.119,33 4.331,34 3.202,35 3.347,36 5.23,37 3.278,38 3.969,39 4.197,40 3.177,41 3.219,42 5.082,43 3.162,44 3.829,45 4.007,46 3.117,47 3.043,48 5.151,49 3.035,50 3.697,51 3.889,52 2.8,53 2.712,54 5.081,55 2.705,56 0.095,57 0.444,58 4.883,59 2.404,60 12.333,61 2.543,62 0.221,63 0.685,64 7.445,65 3.797,66 19.423,67 4.556,68 0.206,69 0.823,70 11.72,71 4.707,72 23.839,73 5.719,74 0.368,75 0.772,76 12.094,77 5.017,78 39.416,79 6.569,80 0.291,81 0.721,82 12.72,83 4.549,84 35.479,85 5.515,86 0.161,87 0.614,88 11.283,89 4.329,90 19.569,91 5.803,92 0.178,93 0.52,94 8.888,95 3.359,96 21.951,97 3.859,98 0.208,99 0.418,100 8.618,101 2.92,102 26.798,103 3.207,104 5,105 29,106 0.306,107 0.569,108 0.697,109 0.835,110 0.894,111 0.919,112 3.011,113 0.82,114 -4.68,115 -4.59,116 -4.32,118 46.7,126 8,127 2,128 1,129 2,130 1,136 9,137 1,138 2,140 4,142 4,143 11,146 3,147 9,150 2,151 2,152 3,153 4,155 7,157 3,159 1,161 5,162 5,163 4,164 3,166 4,169 6,170 4.083}
{0 CHEMBL124937,1 1.637,2 8,3 1.964,4 3.855,5 71.849,6 8.443,7 0.524,8 3.539,9 3.651,10 3.204,11 3.11,12 4.773,13 3.122,14 3.992,15 4.115,16 3.567,17 3.484,18 5.322,19 3.468,20 4.255,21 4.435,22 3.52,23 3.566,24 5.451,25 3.528,26 4.186,27 4.398,28 3.382,29 3.415,30 5.53,31 3.337,32 4.006,33 4.221,34 3.095,35 3.231,36 5.118,37 3.158,38 3.857,39 4.075,40 3.085,41 3.1,42 5.036,43 3.052,44 3.762,45 3.949,46 2.99,47 2.958,48 5.076,49 2.942,50 3.566,51 3.758,52 2.792,53 2.751,54 4.875,55 2.731,56 0.07,57 0.459,58 4.678,59 2.295,60 5.947,61 2.579,62 0.224,63 0.706,64 7.812,65 3.988,66 14.002,67 4.821,68 0.281,69 0.855,70 13.022,71 5.032,72 37.264,73 5.848,74 0.382,75 0.762,76 13.496,77 5.387,78 50.759,79 7.314,80 0.239,81 0.636,82 11.493,83 4.225,84 34.252,85 5.263,86 0.142,87 0.551,88 9.774,89 3.748,90 14.857,91 4.936,92 0.21,93 0.482,94 8.742,95 3.08,96 31.505,97 3.467,98 0.149,99 0.392,100 7.178,101 2.601,102 20.72,103 3.062,104 5,105 29,106 0.306,107 0.562,108 0.712,109 0.852,110 0.881,111 0.906,112 3.01,113 0.829,114 -3.46,115 -3.44,116 -3.28,118 46.7,124 1,125 1,126 7,127 2,128 1,131 1,132 1,136 9,138 1,140 3,141 2,142 5,143 12,146 2,147 10,149 1,150 1,151 3,152 1,153 4,155 6,159 4,161 3,162 4,163 5,164 2,166 4,169 4,170 5.167}
{0 CHEMBL158113,1 1.64,2 7.375,3 2.631,4 6.92,5 68.355,6 8.693,7 0.706,8 3.408,9 3.542,10 3.095,11 2.964,12 4.603,13 2.95,14 3.843,15 4.012,16 3.441,17 3.284,18 5.089,19 3.24,20 4.026,21 4.244,22 3.338,23 3.331,24 5.064,25 3.242,26 3.966,27 4.206,28 3.3,29 3.162,30 5.078,31 3.051,32 3.857,33 4.114,34 2.916,35 3.055,36 4.815,37 2.919,38 3.677,39 3.923,40 2.869,41 2.941,42 4.712,43 2.834,44 3.499,45 3.722,46 2.94,47 2.85,48 4.62,49 2.757,50 3.374,51 3.584,52 2.735,53 2.654,54 4.585,55 2.53,56 0.05,57 0.423,58 4.421,59 1.964,60 7.057,61 2.532,62 0.18,63 0.614,64 8.355,65 3.366,66 17.224,67 4.478,68 0.159,69 0.662,70 12.621,71 4.139,72 18.024,73 5.568,74 0.265,75 0.573,76 13.177,77 3.985,78 25.24,79 5.622,80 0.19,81 0.494,82 14.508,83 3.864,84 22.256,85 5.238,86 0.158,87 0.429,88 11.335,89 3.075,90 18.973,91 4.149,92 0.073,93 0.37,94 7.598,95 2.702,96 10.408,97 3.679,98 0.113,99 0.296,100 8.724,101 2.22,102 15.164,103 2.819,104 5,105 22,106 0.322,107 0.645,108 0.743,109 0.827,110 0.847,111 0.847,112 2.851,113 0.917,114 -4.01,115 -3.96,116 -3.75,118 40.7,122 1,126 6,127 1,129 2,130 1,133 1,134 1,135 1,136 6,137 1,138 3,139 2,140 3,142 2,143 7,146 2,147 3,150 2,151 1,152 1,153 5,154 1,155 1,156 2,157 2,159 1,161 2,162 3,163 1,164 3,165 1,166 3,169 2,170 4.77}
{0 CHEMBL161515,1 1.865,2 7.412,3 3.086,4 9.524,5 73.898,6 12.709,7 0.667,8 3.428,9 3.527,10 3.439,11 3.042,12 4.707,13 2.995,14 3.838,15 3.973,16 3.893,17 3.414,18 5.202,19 3.309,20 4.039,21 4.219,22 4.327,23 3.469,24 5.229,25 3.355,26 4.002,27 4.208,28 3.801,29 3.377,30 5.313,31 3.16,32 3.882,33 4.098,34 3.758,35 3.219,36 5.004,37 3.029,38 3.698,39 3.903,40 3.631,41 3.16,42 4.861,43 2.963,44 3.521,45 3.691,46 3.657,47 3.123,48 4.807,49 2.904,50 3.411,51 3.555,52 3.199,53 2.788,54 4.832,55 2.603,56 0.105,57 0.405,58 1.69,59 2.304,60 13.456,61 2.135,62 0.245,63 0.623,64 3.368,65 3.814,66 21.742,67 4.019,68 0.173,69 0.742,70 13.135,71 5.616,72 20.067,73 5.014,74 0.39,75 0.658,76 29.064,77 6.857,78 42.048,79 6.274,80 0.265,81 0.567,82 31.731,83 6.654,84 34.491,85 4.935,86 0.233,87 0.478,88 19.077,89 4.984,90 30.913,91 4.003,92 0.107,93 0.419,94 25.195,95 5.143,96 10.324,97 3.996,98 0.179,99 0.338,100 21.054,101 4.2,102 21.233,103 2.541,104 10,105 24,106 0.367,107 0.707,108 0.772,109 0.842,110 0.862,111 0.862,112 2.907,113 0.996,114 -4.57,115 -4.49,116 -4.23,118 40.7,122 1,126 5,127 1,128 1,129 2,130 1,136 6,137 1,140 4,142 1,143 6,145 2,146 4,147 3,150 1,151 2,152 3,153 2,157 2,159 2,161 1,162 3,163 2,164 2,166 3,169 4,170 5.046}
{0 CHEMBL161517,1 1.865,2 7.412,3 3.256,4 10.603,5 69.113,6 10.968,7 0.667,8 3.433,9 3.531,10 3.304,11 2.978,12 4.716,13 2.98,14 3.845,15 3.977,16 3.719,17 3.324,18 5.213,19 3.288,20 4.052,21 4.228,22 4.04,23 3.369,24 5.277,25 3.324,26 4.013,27 4.216,28 3.591,29 3.245,30 5.329,31 3.129,32 3.895,33 4.107,34 3.499,35 3.095,36 5.044,37 2.997,38 3.71,39 3.911,40 3.388,41 3.019,42 4.885,43 2.929,44 3.539,45 3.704,46 3.409,47 2.95,48 4.838,49 2.863,50 3.426,51 3.566,52 2.992,53 2.636,54 4.852,55 2.57,56 0.126,57 0.398,58 2.178,59 2.192,60 14.015,61 2.17,62 0.261,63 0.597,64 3.915,65 3.51,66 21.916,67 3.988,68 0.3,69 0.668,70 13.6,71 4.462,72 24.765,73 5.071,74 0.434,75 0.597,76 19.069,77 5.064,78 43.703,79 5.889,80 0.362,81 0.511,82 21.639,83 4.546,84 39.183,85 4.647,86 0.277,87 0.432,88 13.701,89 3.665,90 32.399,91 3.766,92 0.158,93 0.368,94 15.267,95 3.518,96 11.538,97 3.615,98 0.226,99 0.297,100 12.887,101 2.779,102 22.341,103 2.282,104 10,105 24,106 0.367,107 0.707,108 0.772,109 0.842,110 0.862,111 0.862,112 2.907,113 0.949,114 -4.44,115 -4.37,116 -4.12,117 1,118 40.7,122 1,126 5,127 1,128 1,129 2,130 1,136 6,137 1,140 4,142 1,143 6,145 2,146 4,147 3,150 1,151 2,152 3,153 2,157 2,159 2,161 1,162 3,163 2,164 2,166 3,169 4,170 5.046}
{0 CHEMBL291461,1 1.919,2 6.625,3 3.414,4 11.657,5 62.793,6 11.755,7 0.706,8 3.335,9 3.425,10 3.26,11 2.884,12 4.667,13 2.899,14 3.713,15 3.822,16 3.69,17 3.219,18 5.186,19 3.2,20 3.915,21 4.084,22 3.636,23 3.264,24 5.135,25 3.207,26 3.818,27 4.001,28 3.586,29 3.073,30 5.265,31 3.006,32 3.683,33 3.86,34 3.169,35 2.961,36 4.914,37 2.89,38 3.527,39 3.712,40 3.409,41 2.866,42 4.823,43 2.816,44 3.427,45 3.567,46 3.256,47 2.694,48 4.82,49 2.626,50 3.134,51 3.318,52 3.44,53 2.173,54 4.634,55 2.141,56 0.144,57 0.359,58 1.059,59 1.868,60 14.621,61 1.575,62 0.24,63 0.531,64 0.809,65 2.904,66 18.261,67 3.036,68 0.304,69 0.596,70 14.112,71 4.053,72 25.272,73 3.66,74 0.4,75 0.498,76 12.719,77 3.903,78 39.128,79 4.487,80 0.33,81 0.431,82 14.794,83 3.365,84 35.302,85 2.758,86 0.187,87 0.369,88 7.191,89 2.961,90 14.779,91 3.37,92 0.253,93 0.298,94 8.078,95 2.766,96 27.594,97 2.084,98 0.25,99 0.191,100 10.012,101 2.253,102 23.509,103 1.849,104 10,105 23,106 0.387,107 0.68,108 0.811,109 0.925,110 0.925,111 0.925,112 2.852,113 0.922,114 -4.16,115 -4.1,116 -3.88,117 1,118 41.7,126 5,128 2,129 2,130 1,136 2,137 1,138 2,140 4,142 4,143 5,146 1,147 2,150 2,151 2,152 3,153 3,155 3,157 1,161 1,162 4,163 4,164 2,166 1,169 2,170 4.987}
{0 CHEMBL293964,1 1.919,2 7.25,3 3.414,4 11.657,5 62.793,6 11.755,7 0.706,8 3.335,9 3.425,10 3.26,11 2.884,12 4.667,13 2.899,14 3.713,15 3.822,16 3.69,17 3.219,18 5.185,19 3.2,20 3.915,21 4.084,22 3.636,23 3.264,24 5.142,25 3.207,26 3.817,27 4.001,28 3.367,29 3.057,30 5.25,31 2.98,32 3.673,33 3.867,34 3.169,35 2.878,36 4.905,37 2.845,38 3.526,39 3.713,40 3.141,41 2.847,42 4.787,43 2.786,44 3.421,45 3.571,46 3.277,47 2.622,48 4.857,49 2.588,50 3.125,51 3.321,52 2.981,53 2.296,54 4.381,55 2.15,56 0.144,57 0.359,58 1.059,59 1.868,60 14.621,61 1.575,62 0.24,63 0.531,64 0.809,65 2.904,66 18.149,67 3.036,68 0.304,69 0.596,70 14.112,71 4.053,72 25.721,73 3.66,74 0.399,75 0.498,76 16.097,77 4.062,78 38.06,79 4.538,80 0.326,81 0.432,82 7.038,83 2.803,84 36.258,85 2.613,86 0.186,87 0.37,88 10.57,89 3.119,90 14.313,91 3.422,92 0.253,93 0.299,94 4.598,95 2.432,96 25.612,97 1.997,98 0.227,99 0.191,100 10.215,101 2.4,102 28.382,103 1.973,104 10,105 23,106 0.387,107 0.68,108 0.777,109 0.858,110 0.858,111 0.858,112 2.852,113 0.922,114 -4.16,115 -4.1,116 -3.88,117 1,118 41.7,126 5,128 2,129 2,130 1,136 2,137 1,138 2,140 4,142 4,143 4,146 2,147 4,150 2,151 2,152 3,153 1,155 2,157 2,159 1,161 2,162 2,163 4,166 3,169 4,170 4.5}
{0 CHEMBL294156,1 2.03,2 8.158,3 3.608,4 13.018,5 61.143,6 10.045,7 0.6,8 3.474,9 3.565,10 3.225,11 2.896,12 4.897,13 2.986,14 3.938,15 4.05,16 3.713,17 3.211,18 6.003,19 3.302,20 4.064,21 4.226,22 3.56,23 3.259,24 5.553,25 3.327,26 4.126,27 4.317,28 3.487,29 3.119,30 5.796,31 3.185,32 3.947,33 4.152,34 3.123,35 2.945,36 5.39,37 2.993,38 3.656,39 3.847,40 3.115,41 2.823,42 5.17,43 2.852,44 3.656,45 3.822,46 2.965,47 2.632,48 5.221,49 2.724,50 3.456,51 3.642,52 2.902,53 2.276,54 5.265,55 2.429,56 0.342,57 0.629,58 2.703,59 2.203,60 54.398,61 1.716,62 0.855,63 1.208,64 5.138,65 3.573,66 138.485,67 3.13,68 0.655,69 0.95,70 7.138,71 3.729,72 78.519,73 3.559,74 0.998,75 0.903,76 11.481,77 4.438,78 142.214,79 4.478,80 0.88,81 0.666,82 10.9,83 3.325,84 134.072,85 2.916,86 0.465,87 0.486,88 6.632,89 2.573,90 51.918,91 3.271,92 0.633,93 0.485,94 6.844,95 2.55,96 97.306,97 2.115,98 0.516,99 0.473,100 6.242,101 1.796,102 67.193,103 1.763,104 27,105 29,106 0.399,107 0.687,108 0.772,109 0.842,110 0.842,111 0.842,112 3.009,113 0.759,114 -4.44,115 -4.37,116 -4.12,118 40.7,123 1,126 5,127 1,128 1,129 2,130 1,136 4,137 1,138 2,140 4,142 4,143 4,146 2,147 2,150 2,151 2,152 3,153 2,155 2,157 2,161 2,162 3,163 4,164 1,166 2,169 4,170 4.947}
{0 CHEMBL299529,1 1.644,2 7.941,3 3.608,4 13.019,5 64.812,6 7.709,7 0.667,8 3.515,9 3.63,10 3.083,11 2.998,12 4.756,13 3.005,14 3.947,15 4.109,16 3.413,17 3.325,18 5.262,19 3.299,20 4.149,21 4.362,22 3.343,23 3.39,24 5.25,25 3.341,26 4.125,27 4.341,28 3.236,29 3.3,30 5.403,31 3.207,32 4.069,33 4.323,34 2.949,35 3.161,36 5.103,37 3.059,38 3.81,39 4.054,40 2.926,41 2.962,42 4.925,43 2.902,44 3.666,45 3.864,46 2.76,47 2.755,48 4.946,49 2.729,50 3.526,51 3.77,52 2.373,53 2.536,54 4.63,55 2.452,56 0.085,57 0.445,58 5.964,59 2.448,60 12.065,61 3.09,62 0.237,63 0.661,64 9.93,65 3.969,66 24.545,67 5.418,68 0.206,69 0.747,70 13.417,71 4.389,72 24.292,73 6.264,74 0.369,75 0.676,76 13.492,77 4.85,78 42.361,79 6.948,80 0.277,81 0.601,82 13.904,83 4.239,84 37.484,85 6.097,86 0.139,87 0.483,88 10.21,89 3.311,90 17.235,91 4.834,92 0.194,93 0.397,94 8.71,95 2.496,96 25.696,97 3.296,98 0.187,99 0.323,100 8.141,101 2.26,102 26.47,103 3.169,104 11,105 24,106 0.316,107 0.681,108 0.786,109 0.848,110 0.848,111 0.848,112 2.907,113 0.884,114 -4.3,115 -4.24,116 -4,118 40,119 1,120 1,126 5,127 1,128 1,129 2,130 1,136 6,137 1,138 2,140 4,142 4,143 7,146 2,147 6,150 2,151 2,152 3,153 2,155 4,157 2,159 1,161 2,162 3,163 5,164 1,166 3,169 4,170 4.182}
{0 CHEMBL300465,1 1.919,2 6.625,3 3.244,4 10.524,5 67.578,6 13.713,7 0.706,8 3.33,9 3.421,10 3.4,11 2.954,12 4.657,13 2.915,14 3.705,15 3.816,16 3.868,17 3.319,18 5.172,19 3.224,20 3.902,21 4.075,22 3.838,23 3.393,24 5.114,25 3.236,26 3.808,27 3.993,28 3.804,29 3.187,30 5.247,31 3.035,32 3.672,33 3.851,34 3.345,35 3.074,36 4.897,37 2.914,38 3.517,39 3.706,40 3.656,41 2.98,42 4.797,43 2.847,44 3.411,45 3.556,46 3.529,47 2.885,48 4.797,49 2.673,50 3.107,51 3.302,52 3.832,53 2.379,54 4.538,55 2.214,56 0.122,57 0.366,58 2.751,59 1.964,60 13.773,61 1.562,62 0.223,63 0.554,64 5.033,65 3.09,66 17.842,67 3.06,68 0.242,69 0.651,70 27.356,71 5.728,72 22.702,73 3.959,74 0.357,75 0.551,76 22.003,77 5.108,78 37.597,79 4.683,80 0.278,81 0.473,82 25.955,83 4.941,84 32.812,85 3.034,86 0.14,87 0.406,88 11.145,89 3.544,90 12.885,91 3.456,92 0.21,93 0.343,94 15.998,95 3.914,96 25.409,97 2.34,98 0.149,99 0.241,100 10.802,101 3.712,102 17.339,103 1.91,104 10,105 23,106 0.387,107 0.68,108 0.811,109 0.925,110 0.925,111 0.925,112 2.852,113 0.972,114 -4.3,115 -4.24,116 -4,118 41.7,126 5,128 2,129 2,130 1,136 2,137 1,138 2,140 4,142 4,143 5,146 1,147 2,150 2,151 2,152 3,153 3,155 3,157 1,161 1,162 4,163 4,164 2,166 1,169 2,170 5.328}
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{0 CHEMBL52018,1 1.686,2 6.625,3 3.152,4 9.935,5 60.211,6 8.046,7 0.706,8 3.426,9 3.535,10 3.028,11 2.906,12 4.711,13 2.926,14 3.831,15 3.981,16 3.367,17 3.224,18 5.213,19 3.217,20 4.01,21 4.196,22 3.265,23 3.274,24 5.18,25 3.241,26 4.025,27 4.255,28 3.175,29 3.148,30 5.329,31 3.074,32 3.872,33 4.094,34 2.876,35 3.012,36 5.011,37 2.952,38 3.733,39 3.974,40 2.906,41 2.912,42 4.879,43 2.857,44 3.594,45 3.774,46 2.689,47 2.701,48 4.91,49 2.678,50 3.422,51 3.665,52 2.308,53 2.34,54 4.651,55 2.269,56 0.099,57 0.407,58 5.014,59 2.123,60 12.237,61 2.528,62 0.236,63 0.598,64 8.141,65 3.372,66 21.909,67 4.455,68 0.205,69 0.669,70 10.561,71 3.616,72 20.393,73 4.839,74 0.384,75 0.599,76 12.508,77 4.238,78 43.015,79 6.167,80 0.294,81 0.519,82 10.686,83 3.042,84 34.062,85 4.036,86 0.14,87 0.445,88 9.45,89 3.313,90 16.537,91 4.724,92 0.211,93 0.373,94 7.599,95 2.291,96 26.183,97 2.765,98 0.15,99 0.271,100 7.335,101 2.234,102 19.225,103 3.082,104 10,105 23,106 0.331,107 0.687,108 0.801,109 0.9,110 0.9,111 0.9,112 2.852,113 0.837,114 -4.02,115 -3.97,116 -3.76,118 40.7,119 1,126 5,127 1,128 1,129 2,130 1,136 5,137 1,138 2,140 4,142 4,143 6,146 2,147 3,150 2,151 2,152 3,153 3,155 3,157 2,161 2,162 4,163 4,164 2,166 2,169 4,170 4.369}
{0 CHEMBL52034,1 2.017,2 7.294,3 3.995,4 15.957,5 64.779,6 11.338,7 0.667,8 3.35,9 3.427,10 3.228,11 2.904,12 4.721,13 2.933,14 3.733,15 3.824,16 3.647,17 3.248,18 5.26,19 3.251,20 3.949,21 4.088,22 3.792,23 3.328,24 5.322,25 3.295,26 3.845,27 4.004,28 3.438,29 3.096,30 5.354,31 3.048,32 3.699,33 3.866,34 3.127,35 2.944,36 4.998,37 2.908,38 3.552,39 3.715,40 3.232,41 2.888,42 4.925,43 2.857,44 3.458,45 3.573,46 3.197,47 2.709,48 4.969,49 2.697,50 3.189,51 3.326,52 3.134,53 2.309,54 4.881,55 2.298,56 0.203,57 0.348,58 1.42,59 1.724,60 20.507,61 1.302,62 0.296,63 0.505,64 1.501,65 2.615,66 23.762,67 2.575,68 0.461,69 0.552,70 11.406,71 3.63,72 39.467,73 2.927,74 0.5,75 0.459,76 10.999,77 3.713,78 48.161,79 4.128,80 0.435,81 0.404,82 8.748,83 2.954,84 46.29,85 2.372,86 0.295,87 0.341,88 7.599,89 2.881,90 26.404,91 3.222,92 0.353,93 0.262,94 5.423,95 2.4,96 39.058,97 1.781,98 0.365,99 0.152,100 8.022,101 2.121,102 43.113,103 1.825,104 17,105 25,106 0.407,107 0.707,108 0.808,109 0.909,110 0.925,111 0.925,112 2.907,113 0.882,114 -4.3,115 -4.24,116 -4,118 41.7,126 4,128 3,129 2,130 1,136 1,137 1,138 2,140 4,142 4,143 3,146 1,147 5,150 2,151 2,152 3,153 2,155 3,157 1,159 1,161 1,162 3,163 4,164 1,166 2,169 2,170 6.032}
{0 CHEMBL53002,1 1.606,2 7.389,3 4.094,4 16.764,5 69.853,6 7.434,7 0.632,8 3.598,9 3.717,10 3.135,11 3.082,12 4.808,13 3.078,14 4.049,15 4.226,16 3.48,17 3.421,18 5.31,19 3.386,20 4.238,21 4.44,22 3.454,23 3.528,24 5.322,25 3.473,26 4.295,27 4.507,28 3.379,29 3.506,30 5.508,31 3.397,32 4.327,33 4.595,34 3.102,35 3.396,36 5.29,37 3.265,38 4.129,39 4.413,40 3.057,41 3.205,42 5.116,43 3.104,44 3.917,45 4.143,46 2.958,47 3.021,48 5.082,49 2.963,50 3.765,51 3.995,52 2.705,53 2.836,54 4.874,55 2.759,56 0.072,57 0.484,58 6.894,59 2.776,60 11.44,61 3.642,62 0.244,63 0.724,64 11.75,65 4.544,66 27.05,67 6.353,68 0.175,69 0.833,70 14.695,71 5.03,72 21.854,73 7.212,74 0.354,75 0.819,76 15.989,77 6.012,78 44.245,79 8.617,80 0.295,81 0.778,82 18.082,83 5.54,84 40.653,85 8.276,86 0.191,87 0.638,88 14.891,89 4.549,90 24.977,91 6.982,92 0.192,93 0.514,94 11.612,95 3.525,96 29.306,97 4.975,98 0.16,99 0.438,100 9.875,101 2.885,102 23.336,103 4.15,104 18,105 26,106 0.302,107 0.675,108 0.825,109 0.882,110 0.882,111 0.882,112 2.96,113 0.903,114 -4.57,115 -4.49,116 -4.23,118 39.4,119 2,120 1,126 4,127 2,128 1,129 2,130 1,136 7,137 1,138 2,140 4,142 4,143 9,146 2,147 8,150 2,151 2,152 3,153 3,155 5,157 2,159 2,161 3,162 4,163 4,164 2,166 4,169 4,170 5.854}
{0 CHEMBL53413,1 1.865,2 7.294,3 3.9,4 15.213,5 67.834,6 10.968,7 0.667,8 3.433,9 3.531,10 3.304,11 2.978,12 4.723,13 2.98,14 3.841,15 3.975,16 3.741,17 3.326,18 5.235,19 3.296,20 4.026,21 4.186,22 3.838,23 3.433,24 5.235,25 3.364,26 4.048,27 4.239,28 3.504,29 3.304,30 5.381,31 3.178,32 3.878,33 4.09,34 3.235,35 3.052,36 5.034,37 2.992,38 3.744,39 3.968,40 3.235,41 3.008,42 4.902,43 2.929,44 3.607,45 3.766,46 3.365,47 2.839,48 4.963,49 2.795,50 3.443,51 3.652,52 3.167,53 2.61,54 4.675,55 2.484,56 0.126,57 0.398,58 2.178,59 2.192,60 12.965,61 2.17,62 0.254,63 0.594,64 4.82,65 3.604,66 21.752,67 4.183,68 0.261,69 0.675,70 10.767,71 4.506,72 22.075,73 4.559,74 0.44,75 0.613,76 32.32,77 5.907,78 42.53,79 6.632,80 0.345,81 0.533,82 9.58,83 3.38,84 35.406,85 3.7,86 0.192,87 0.452,88 14.858,89 4.035,90 17.42,91 4.932,92 0.256,93 0.383,94 6.089,95 2.715,96 26.764,97 2.509,98 0.195,99 0.285,100 12.381,101 3.211,102 22.137,103 3.346,104 17,105 25,106 0.367,107 0.74,108 0.827,109 0.9,110 0.9,111 0.9,112 2.907,113 0.94,114 -4.44,115 -4.37,116 -4.12,117 1,118 40.7,119 1,126 4,127 1,128 2,129 2,130 1,136 3,137 1,138 2,140 4,142 4,143 5,146 2,147 6,150 2,151 2,152 3,153 2,155 3,157 2,159 1,161 2,162 3,163 4,164 1,166 3,169 4,170 6.036}
{0 CHEMBL54371,1 1.606,2 7.944,3 4.094,4 16.764,5 69.853,6 7.434,7 0.632,8 3.598,9 3.717,10 3.135,11 3.082,12 4.808,13 3.078,14 4.049,15 4.226,16 3.48,17 3.421,18 5.31,19 3.386,20 4.238,21 4.44,22 3.454,23 3.528,24 5.321,25 3.473,26 4.295,27 4.507,28 3.379,29 3.506,30 5.513,31 3.397,32 4.327,33 4.595,34 3.057,35 3.391,36 5.288,37 3.251,38 4.117,39 4.415,40 3.044,41 3.164,42 5.083,43 3.06,44 3.815,45 4.013,46 2.905,47 2.947,48 5.043,49 2.911,50 3.75,51 3.993,52 2.692,53 2.791,54 4.866,55 2.709,56 0.072,57 0.484,58 6.894,59 2.776,60 11.44,61 3.642,62 0.244,63 0.724,64 11.75,65 4.544,66 27.05,67 6.353,68 0.175,69 0.833,70 14.695,71 5.03,72 21.86,73 7.212,74 0.354,75 0.819,76 15.989,77 6.012,78 44.192,79 8.617,80 0.3,81 0.773,82 18.084,83 5.559,84 40.802,85 8.278,86 0.173,87 0.612,88 15.01,89 4.68,90 25.469,91 7.221,92 0.2,93 0.481,94 10.164,95 2.842,96 27.305,97 3.926,98 0.138,99 0.416,100 9.912,101 3.037,102 21.239,103 4.393,104 18,105 26,106 0.302,107 0.675,108 0.825,109 0.882,110 0.882,111 0.882,112 2.96,113 0.903,114 -4.57,115 -4.49,116 -4.23,118 39.4,119 2,120 1,126 4,127 2,128 1,129 2,130 1,136 7,137 1,138 2,140 4,142 4,143 9,146 2,147 8,150 2,151 2,152 3,153 3,155 6,157 2,159 1,161 2,162 4,163 5,164 2,166 3,169 4,170 4.721}
{0 CHEMBL54419,1 1.606,2 8.056,3 3.86,4 14.9,5 69.361,6 7.434,7 0.632,8 3.598,9 3.717,10 3.135,11 3.082,12 4.81,13 3.078,14 4.05,15 4.222,16 3.482,17 3.429,18 5.315,19 3.393,20 4.276,21 4.487,22 3.431,23 3.536,24 5.35,25 3.468,26 4.327,27 4.567,28 3.331,29 3.479,30 5.515,31 3.359,32 4.243,33 4.507,34 3.031,35 3.326,36 5.225,37 3.196,38 3.977,39 4.245,40 2.996,41 3.079,42 5.015,43 2.994,44 3.749,45 3.949,46 2.839,47 2.85,48 5.01,49 2.824,50 3.678,51 3.93,52 2.564,53 2.722,54 4.743,55 2.633,56 0.072,57 0.484,58 6.894,59 2.776,60 11.744,61 3.642,62 0.24,63 0.728,64 11.668,65 4.565,66 27.94,67 6.357,68 0.181,69 0.851,70 15.447,71 5.265,72 23.768,73 7.61,74 0.391,75 0.808,76 17.261,77 6.145,78 48.921,79 8.993,80 0.268,81 0.709,82 16.594,83 5.255,84 39.093,85 7.728,86 0.134,87 0.554,88 12.494,89 3.994,90 20.633,91 6.034,92 0.198,93 0.444,94 9.612,95 2.532,96 26.812,97 3.515,98 0.174,99 0.386,100 9.461,101 2.75,102 26.205,103 3.989,104 18,105 26,106 0.302,107 0.658,108 0.748,109 0.803,110 0.803,111 0.803,112 2.959,113 0.897,114 -4.57,115 -4.49,116 -4.23,118 39.4,119 2,121 1,126 5,127 1,128 1,129 2,130 1,136 7,137 1,138 2,140 4,142 4,143 9,146 2,147 8,150 2,151 2,152 3,153 2,155 6,157 2,159 1,161 2,162 3,163 6,164 1,166 3,169 4,170 4.658}
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