"molecule_id","ATS6i","ATSC5v","ATSC6v","ATSC7p","CIC2","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","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","ATSC6e","ATSC6i","ATSC6m","ATSC6p","ATSC6s","ATSC7e","ATSC7i","ATSC7m","ATSC7s","ATSC7v","ATSC8e","ATSC8i","ATSC8m","ATSC8p","ATSC8s","ATSC8v","BAC","BBI","BIC0","BIC1","BIC2","BIC3","BIC4","BIC5","BID","BLI","BLTA96","BLTD48","BLTF96","C.","C.001","pXC50"
{1 4.055,2 7.001,3 5.729,4 4.287,5 1.05,6 1.337,7 6.471,8 2.765,9 7.646,10 68.135,11 7.041,12 0.5,13 3.591,14 3.699,15 3.154,16 3.198,17 4.532,18 3.164,19 4.179,20 4.34,21 3.542,22 3.647,23 5.06,24 3.591,25 4.448,26 4.671,27 3.458,28 3.732,29 5.233,30 3.614,31 4.362,32 4.61,33 3.196,34 3.521,35 5.12,36 3.376,37 4.081,38 4.328,39 3.018,40 3.271,41 4.834,42 3.158,43 3.858,44 2.881,45 3.211,46 4.66,47 3.088,48 3.85,49 4.097,50 2.635,51 3.116,52 4.554,53 2.936,54 3.7,55 4,56 1.988,57 2.794,58 4.29,59 2.53,60 0.025,61 0.434,62 7.022,63 3.162,64 4.549,65 4.182,66 0.088,67 0.782,68 13.588,69 5.517,70 9.823,71 7.432,72 0.141,73 0.974,74 18.975,75 7.646,76 16.041,77 10.453,78 0.208,79 0.853,80 18.137,81 7.111,82 16.566,83 9.688,84 0.148,85 0.644,86 13.758,87 5.207,88 12.546,89 0.093,90 0.531,91 10.28,92 4.279,93 9.803,94 0.054,95 0.547,96 10.267,97 7.378,98 6.144,99 0.055,100 0.449,101 9.28,102 3.822,103 7.197,104 5.554,106 29,107 0.25,108 0.585,109 0.737,110 0.805,111 0.817,112 0.817,113 2.911,114 0.952,115 -3.69,116 -3.66,117 -3.48,118 46.9,120 6}
{0 CHEMBL2094001,1 4.571,2 10.737,3 9.835,4 6.144,5 1.122,6 1.364,7 8.8,8 2.394,9 5.732,10 80.266,11 6.619,12 0.261,13 3.819,14 3.933,15 3.318,16 3.356,17 4.693,18 3.32,19 4.454,20 4.626,21 3.679,22 3.797,23 5.313,24 3.735,25 4.679,26 4.908,27 3.565,28 3.925,29 5.42,30 3.783,31 4.663,32 4.941,33 3.344,34 3.775,35 5.353,36 3.599,37 4.43,38 4.693,39 3.245,40 3.62,41 5.138,42 3.465,43 4.315,44 3.122,45 3.54,46 5.028,47 3.372,48 4.249,49 4.532,50 2.896,51 3.363,52 4.899,53 3.178,54 3.972,55 4.235,56 2.765,57 3.093,58 4.605,59 2.936,60 0.03,61 0.567,62 9.857,63 4.263,64 4.238,65 5.717,66 0.313,67 0.988,68 19.825,69 7.17,70 18.776,71 9.824,72 0.186,73 1.198,74 24.46,75 9.673,76 20.094,77 13.599,78 0.202,79 1.099,80 24.423,81 9.391,82 21.505,83 13.39,84 0.155,85 0.893,86 19.155,87 7.579,88 16.031,89 0.089,90 0.831,91 16.759,92 6.82,93 13.68,94 0.127,95 0.732,96 16.022,97 12.774,98 8.874,99 0.066,100 0.548,101 12.038,102 4.7,103 7.36,104 6.67,106 32,107 0.244,108 0.559,109 0.758,110 0.776,111 0.776,112 0.776,113 3.058,114 0.997,115 -4.11,116 -4.05,117 -3.84,118 41.5,120 6}
{0 CHEMBL258503,1 4.962,2 15.337,3 14.004,4 11.197,5 1.27,6 1.406,7 11.567,8 3.494,9 12.205,10 119.138,11 6.776,12 0.364,13 4.174,14 4.29,15 3.665,16 3.704,17 5.173,18 3.668,19 4.761,20 4.94,21 4.002,22 4.109,23 5.707,24 4.049,25 5.028,26 5.247,27 4.032,28 4.26,29 5.953,30 4.153,31 5.039,32 5.297,33 3.858,34 4.168,35 5.923,36 4.028,37 4.844,38 5.09,39 3.847,40 4.057,41 5.78,42 3.953,43 4.766,44 3.968,45 4.087,46 5.796,47 4.014,48 4.87,49 5.068,50 3.97,51 4.165,52 5.829,53 4.073,54 4.96,55 5.191,56 3.908,57 4.169,58 5.857,59 4.048,60 0.048,61 0.818,62 13.79,63 5.983,64 11.066,65 7.961,66 0.298,67 1.367,68 26.411,69 9.812,70 29.446,71 13.441,72 0.368,73 1.708,74 35.042,75 12.906,76 44.281,77 18.064,78 0.462,79 1.636,80 36.181,81 13.062,82 50.651,83 18.569,84 0.268,85 1.388,86 29.321,87 10.869,88 44.516,89 0.301,90 1.354,91 26.557,92 10.111,93 42.664,94 0.265,95 1.508,96 29.463,97 37.183,98 15.473,99 0.364,100 1.591,101 32.72,102 12.074,103 44.038,104 17.154,105 10,106 45,107 0.229,108 0.557,109 0.754,110 0.837,111 0.845,112 0.845,113 3.44,114 0.981,115 -4.44,116 -4.37,117 -4.12,118 41.7,120 7.481}
{0 CHEMBL258717,1 5.09,2 17.893,3 16.069,4 12.212,5 1.339,6 1.449,7 10.844,8 2.946,9 8.681,10 125.902,11 6.883,12 0.333,13 4.24,14 4.358,15 3.745,16 3.766,17 5.242,18 3.736,19 4.839,20 5.017,21 4.137,22 4.207,23 5.781,24 4.158,25 5.151,26 5.362,27 4.193,28 4.376,29 6.136,30 4.278,31 5.171,32 5.431,33 4.002,34 4.303,35 6.062,36 4.168,37 5.018,38 5.273,39 3.982,40 4.201,41 5.98,42 4.09,43 4.884,44 4.068,45 4.207,46 5.888,47 4.126,48 4.984,49 5.191,50 4.073,51 4.279,52 5.941,53 4.184,54 5.057,55 5.287,56 4.032,57 4.291,58 5.967,59 4.172,60 0.059,61 0.901,62 14.494,63 6.108,64 15.215,65 8.209,66 0.268,67 1.547,68 28.062,69 10.208,70 30.143,71 14.178,72 0.625,73 1.952,74 39.659,75 13.994,76 63.641,77 19.766,78 0.408,79 1.904,80 41.157,81 14.465,82 60.383,83 20.91,84 0.459,85 1.655,86 35.296,87 12.415,88 65.095,89 0.234,90 1.551,91 29.473,92 11.445,93 42.224,94 0.295,95 1.723,96 32.767,97 42.17,98 17.212,99 0.321,100 1.784,101 35.667,102 13.345,103 49.021,104 19.04,105 11,106 52,107 0.233,108 0.559,109 0.745,110 0.839,111 0.856,112 0.856,113 3.503,114 0.96,115 -3.87,116 -3.83,117 -3.64,118 41.3,120 7.886}
{0 CHEMBL259665,1 4.505,2 9.458,3 9.245,4 5.565,5 1.125,6 1.387,7 8.579,8 2.374,9 5.638,10 75.692,11 6.773,12 0.286,13 3.722,14 3.838,15 3.223,16 3.276,17 4.701,18 3.236,19 4.312,20 4.493,21 3.569,22 3.693,23 5.278,24 3.624,25 4.568,26 4.797,27 3.567,28 3.826,29 5.443,30 3.711,31 4.51,32 4.741,33 3.385,34 3.687,35 5.482,36 3.557,37 4.369,38 4.61,39 3.214,40 3.556,41 5.279,42 3.421,43 4.247,44 2.971,45 3.452,46 5.005,47 3.267,48 4.142,49 4.441,50 2.775,51 3.173,52 4.887,53 2.985,54 3.785,55 4.024,56 2.777,57 2.776,58 4.816,59 2.714,60 0.02,61 0.517,62 8.622,63 3.847,64 4.342,65 5.141,66 0.233,67 0.878,68 16.66,69 6.409,70 22.054,71 8.858,72 0.169,73 1.072,74 21.849,75 8.532,76 22.914,77 11.906,78 0.192,79 0.964,80 20.926,81 7.964,82 35.59,83 10.965,84 0.203,85 0.842,86 18.256,87 6.801,88 30.473,89 0.08,90 0.769,91 15.656,92 6.447,93 14.203,94 0.089,95 0.634,96 14.588,97 17.579,98 8.046,99 0.231,100 0.413,101 10.635,102 3.361,103 17.453,104 4.54,105 8,106 29,107 0.253,108 0.577,109 0.751,110 0.77,111 0.789,112 0.789,113 3.01,114 1.001,115 -4.18,116 -4.13,117 -3.9,118 42.1,119 1,120 6.745}
{0 CHEMBL279261,1 4.72,2 14.125,3 11.453,4 5.858,5 1.733,6 1.274,7 8.667,8 3.136,9 9.836,10 85.869,11 6.653,12 0.5,13 3.826,14 3.945,15 3.319,16 3.438,17 4.777,18 3.383,19 4.411,20 4.581,21 3.717,22 3.894,23 5.291,24 3.817,25 4.769,26 4.984,27 3.785,28 4.076,29 5.651,30 3.953,31 4.822,32 5.076,33 3.58,34 3.994,35 5.683,36 3.831,37 4.696,38 4.976,39 3.358,40 3.836,41 5.495,42 3.654,43 4.432,44 3.065,45 3.6,46 5.11,47 3.397,48 4.122,49 4.402,50 2.909,51 3.31,52 4.861,53 3.139,54 3.912,55 4.132,56 2.956,57 3.207,58 4.828,59 3.094,60 0.05,61 0.561,62 9.704,63 4.282,64 7.995,65 5.84,66 0.114,67 1.003,68 18.007,69 7.368,70 11.65,71 10.281,72 0.243,73 1.345,74 26.57,75 10.754,76 27.793,77 14.898,78 0.23,79 1.359,80 28.51,81 11.402,82 36.407,83 15.788,84 0.21,85 1.193,86 25.24,87 10.047,88 33.755,89 0.104,90 0.934,91 18.965,92 7.974,93 16.528,94 0.075,95 0.673,96 13.881,97 14.531,98 8.299,99 0.083,100 0.556,101 11.189,102 4.525,103 15.407,104 6.224,105 2,106 35,107 0.225,108 0.515,109 0.645,110 0.754,111 0.791,112 0.791,113 3.104,114 0.983,115 -4.57,116 -4.49,117 -4.23,118 45.2,120 7.886}
{0 CHEMBL344327,1 4.031,2 8.254,3 6.354,4 4.325,5 1.05,6 1.337,7 6.471,8 3.323,9 11.045,10 74.578,11 7.543,12 0.5,13 3.577,14 3.685,15 3.262,16 3.291,17 4.47,18 3.203,19 4.163,20 4.325,21 3.686,22 3.764,23 4.979,24 3.641,25 4.431,26 4.653,27 3.62,28 3.86,29 5.147,30 3.67,31 4.336,32 4.584,33 3.416,34 3.688,35 5.004,36 3.451,37 4.053,38 4.297,39 3.165,40 3.434,41 4.721,42 3.223,43 3.838,44 2.906,45 3.282,46 4.595,47 3.111,48 3.85,49 4.097,50 2.635,51 3.116,52 4.554,53 2.936,54 3.7,55 4,56 1.988,57 2.794,58 4.29,59 2.53,60 0.032,61 0.42,62 7.23,63 3.22,64 4.557,65 4.314,66 0.087,67 0.792,68 14.591,69 5.959,70 8.049,71 7.826,72 0.11,73 1.028,74 21.992,75 8.875,76 11.755,77 11.366,78 0.11,79 0.95,80 23.315,81 8.919,82 11.458,83 10.99,84 0.081,85 0.72,86 18.504,87 6.968,88 8.385,89 0.052,90 0.557,91 12.839,92 5.112,93 6.957,94 0.057,95 0.552,96 10.125,97 7.387,98 6.118,99 0.051,100 0.47,101 9.546,102 4.03,103 6.808,104 5.63,106 29,107 0.25,108 0.585,109 0.737,110 0.805,111 0.817,112 0.817,113 2.911,114 1.075,115 -4.57,116 -4.49,117 -4.23,118 46.9,120 6}
{0 CHEMBL391926,1 4.27,2 9.494,3 7.171,4 5.086,5 0.983,6 1.298,7 8.5,8 2.509,9 6.294,10 74.039,11 6.523,12 0.3,13 3.689,14 3.813,15 3.155,16 3.272,17 4.645,18 3.216,19 4.283,20 4.469,21 3.482,22 3.708,23 5.126,24 3.615,25 4.614,26 4.864,27 3.475,28 3.861,29 5.39,30 3.707,31 4.57,32 4.851,33 3.175,34 3.684,35 5.335,36 3.486,37 4.331,38 4.623,39 2.99,40 3.407,41 5.142,42 3.234,43 4.033,44 2.959,45 3.296,46 4.929,47 3.159,48 4.023,49 4.265,50 2.916,51 3.303,52 4.836,53 3.148,54 4.012,55 4.287,56 2.662,57 3.184,58 4.716,59 2.986,60 0.046,61 0.5,62 8.691,63 3.746,64 6.472,65 5.152,66 0.12,67 0.885,68 16.221,69 6.366,70 14.109,71 9.049,72 0.214,73 1.158,74 22.871,75 8.934,76 21.246,77 12.915,78 0.153,79 1.03,80 21.974,81 8.814,82 22.731,83 12.536,84 0.161,85 0.775,86 17.516,87 6.768,88 26.539,89 0.098,90 0.621,91 12.713,92 5.128,93 20.867,94 0.069,95 0.64,96 12.408,97 14.247,98 7.313,99 0.072,100 0.607,101 12.34,102 5.028,103 10.535,104 7.265,105 3,106 27,107 0.238,108 0.581,109 0.774,110 0.851,111 0.865,112 0.865,113 2.96,114 1.017,115 -4.03,116 -3.98,117 -3.77,118 43.2,120 6}
{0 CHEMBL442578,1 4.003,2 7.505,3 5.502,4 4.827,5 1.129,6 1.412,7 8,8 1.941,9 3.767,10 70.99,11 6.952,12 0.3,13 3.657,14 3.769,15 3.163,16 3.212,17 4.707,18 3.179,19 4.227,20 4.397,21 3.557,22 3.653,23 5.24,24 3.597,25 4.573,26 4.787,27 3.542,28 3.797,29 5.59,30 3.682,31 4.517,32 4.793,33 3.133,34 3.566,35 5.42,36 3.391,37 4.116,38 4.391,39 2.964,40 3.234,41 5.095,42 3.106,43 3.829,44 3.021,45 3.19,46 4.925,47 3.108,48 4.009,49 4.23,50 2.94,51 3.265,52 4.883,53 3.132,54 4.03,55 4.299,56 2.731,57 3.117,58 4.985,59 2.936,60 0.046,61 0.475,62 7.908,63 3.468,64 11.264,65 4.51,66 0.085,67 0.831,68 14.647,69 5.842,70 18.175,71 7.976,72 0.241,73 1.067,74 21.963,75 8.333,76 41.968,77 11.421,78 0.224,79 0.936,80 21.719,81 7.946,82 42.896,83 11.186,84 0.15,85 0.623,86 14.475,87 5.373,88 35.048,89 0.06,90 0.521,91 9.914,92 4.121,93 20.642,94 0.088,95 0.617,96 12.231,97 17.053,98 6.738,99 0.185,100 0.591,101 13.054,102 4.887,103 32.921,104 7.057,105 5,106 29,107 0.262,108 0.618,109 0.742,110 0.792,111 0.792,112 0.792,113 2.96,114 0.964,115 -3.21,116 -3.2,117 -3.07,118 42.9,120 6}
{0 CHEMBL443678,1 4.4,2 9.341,3 8.422,4 6.826,5 1.076,6 1.425,7 10.227,8 2.413,9 5.82,10 85.572,11 6.963,12 0.25,13 3.847,14 3.957,15 3.354,16 3.384,17 4.885,18 3.353,19 4.436,20 4.609,21 3.732,22 3.8,23 5.483,24 3.748,25 4.729,26 4.943,27 3.758,28 3.946,29 5.756,30 3.85,31 4.689,32 4.93,33 3.5,34 3.773,35 5.745,36 3.65,37 4.409,38 4.643,39 3.302,40 3.55,41 5.473,42 3.444,43 4.207,44 3.295,45 3.535,46 5.258,47 3.427,48 4.34,49 4.589,50 3.181,51 3.541,52 5.23,53 3.391,54 4.233,55 4.511,56 2.96,57 3.375,58 4.974,59 3.199,60 0.024,61 0.576,62 9.546,63 4.314,64 9.844,65 5.585,66 0.237,67 0.983,68 18.601,69 7.132,70 30.767,71 9.648,72 0.275,73 1.228,74 25.871,75 9.681,76 45.433,77 13.212,78 0.299,79 1.097,80 25.743,81 9.144,82 60.21,83 12.466,84 0.279,85 0.825,86 19.468,87 6.969,88 52.398,89 0.069,90 0.757,91 14.617,92 6.207,93 27.367,94 0.119,95 0.838,96 17.403,97 27.281,98 9.692,99 0.094,100 0.734,101 15.821,102 6.165,103 19.04,104 8.938,105 13,106 34,107 0.251,108 0.601,109 0.767,110 0.806,111 0.806,112 0.806,113 3.146,114 0.982,115 -3.86,116 -3.82,117 -3.62,118 41.9,119 1,120 5.372}
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