"molecule_id","ATSC8s","BIC2","IC2","IC3","IC4","IC5","SIC2","SpMAD_EA.bo.","BIC3","CIC2","CIC3","MATS4m","MATS4s","MATS5s","SIC3","AMW","Eta_C_A","GATS1m","GATS3e","GATS3m","PCR","SpMAD_AEA.bo.","ATSC4s","ATSC5s","BIC1","BLI","CIC1","Eig04_AEA.dm.","Eta_beta_A","Eta_betaP_A","Eta_F_A","Eta_FL_A","Eta_L_A","GATS1p","GATS1v","GATS2i","GATS2p","GATS2s","GATS3p","GATS5i","GATS5p","H.","IC1","MATS1v","MATS3s","MATS3v","MATS8i","MATS8p","MAXDN","Mv","PCD","SIC1","SpMax7_Bh.s.","SsssCH","X0Av","X1Av","AAC","AECC","ALOGP","ALOGP2","AMR","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","ATSC4v","ATSC5e","ATSC5i","ATSC5m","ATSC5p","ATSC5v","ATSC6e","ATSC6i","ATSC6m","ATSC6p","ATSC6s","ATSC6v","pXC50"
{1 51.662,2 0.729,3 4.39,4 5.066,5 5.197,6 5.295,7 0.74,8 1.566,9 0.841,10 1.541,11 0.865,12 -0.041,13 0.086,14 0.065,15 0.854,16 6.271,17 1.136,18 1.024,19 0.86,20 0.959,21 1.15,22 1.411,23 122.62,24 125.559,25 0.49,26 1.078,27 2.981,28 2.697,29 0.815,30 0.222,31 0.593,32 0.146,33 0.337,34 1.314,35 1.192,36 1.3,37 1.29,38 0.912,39 1.012,40 0.935,41 0.947,42 55.7,43 2.95,44 0.039,45 0.166,46 -0.006,47 0.014,48 0.02,49 2.796,50 0.561,51 1.013,52 0.497,53 4.346,54 -5.861,55 0.599,56 0.359,57 1.329,58 14.185,59 3.023,60 9.14,61 102.689,62 0.214,63 4.172,64 4.287,65 3.545,66 3.604,67 5.175,68 3.566,69 4.767,70 4.94,71 3.864,72 3.997,73 5.724,74 3.923,75 5.112,76 5.337,77 4.015,78 4.149,79 6.183,80 4.046,81 5.14,82 5.381,83 3.887,84 4.127,85 6.177,86 3.996,87 5.1,88 5.361,89 3.727,90 4.057,91 6.125,92 3.902,93 4.981,94 5.247,95 3.531,96 3.959,97 5.901,98 3.787,99 4.881,100 5.164,101 3.389,102 3.85,103 5.673,104 3.664,105 4.776,106 5.061,107 3.321,108 3.726,109 5.558,110 3.555,111 0.077,112 0.764,113 15.362,114 6.417,115 21.451,116 8.49,117 0.339,118 1.21,119 28.126,120 10.213,121 49.052,122 14.098,123 1.075,124 1.487,125 40.24,126 12.663,127 121.41,128 18.238,129 0.946,130 1.487,131 41.056,132 12.698,133 18.525,134 0.878,135 1.401,136 39.051,137 12.051,138 17.77,139 0.601,140 1.268,141 34.214,142 10.962,143 88.545,144 16.166,145 4.092}
{0 CHEMBL202645,1 58.558,2 0.76,3 4.352,4 5.11,5 5.207,6 5.207,7 0.775,8 1.593,9 0.892,10 1.263,11 0.505,12 -0.054,13 0.073,14 0.045,15 0.91,16 6.662,17 1.009,18 0.962,19 0.888,20 0.969,21 1.143,22 1.423,23 129.188,24 133.425,25 0.533,26 1.012,27 2.56,28 2.696,29 0.87,30 0.261,31 0.63,32 0.173,33 0.311,34 1.27,35 1.126,36 1.322,37 1.31,38 0.949,39 1.01,40 0.918,41 0.933,42 53.1,43 3.054,44 0.05,45 0.148,46 -0.032,47 0.021,48 0.031,49 2.793,50 0.574,51 0.911,52 0.544,53 4.346,54 -5.847,55 0.57,56 0.337,57 1.386,58 11.261,59 1.168,60 1.365,61 83.845,62 0.25,63 3.977,64 4.079,65 3.4,66 3.391,67 5.045,68 3.376,69 4.554,70 4.703,71 3.727,72 3.776,73 5.594,74 3.731,75 4.907,76 5.114,77 3.873,78 3.91,79 6.067,80 3.836,81 4.921,82 5.148,83 3.718,84 3.858,85 6.04,86 3.757,87 4.872,88 5.119,89 3.53,90 3.776,91 5.983,92 3.646,93 4.766,94 5.033,95 3.314,96 3.671,97 5.739,98 3.517,99 4.616,100 4.89,101 3.183,102 3.55,103 5.481,104 3.391,105 4.509,106 4.782,107 3.11,108 3.416,109 5.38,110 3.275,111 0.124,112 0.611,113 12.017,114 5.058,115 26.282,116 6.466,117 0.406,118 0.96,119 22.327,120 7.993,121 55.741,122 10.708,123 1.131,124 1.173,125 33.292,126 9.871,127 125.661,128 14.066,129 1.029,130 1.144,131 33.837,132 9.663,133 14.031,134 0.956,135 1.067,136 32.199,137 9.097,138 13.419,139 0.708,140 0.964,141 28.678,142 8.288,143 98.208,144 12.353,145 4.194}
{0 CHEMBL203545,1 53.902,2 0.723,3 4.142,4 4.931,5 5.239,6 5.316,7 0.727,8 1.409,9 0.861,10 1.558,11 0.769,12 0.002,13 0.097,14 0.064,15 0.865,16 6.124,17 1.153,18 1.063,19 0.857,20 0.925,21 1.012,22 1.393,23 125.482,24 128.494,25 0.484,26 1.111,27 2.929,28 2.032,29 0.636,30 0.045,31 0.47,32 0.116,33 0.366,34 1.477,35 1.302,36 1.464,37 1.449,38 0.922,39 1.01,40 0.947,41 0.958,42 57.7,43 2.771,44 0.01,45 0.17,46 0.001,47 -0.003,48 0.002,49 2.782,50 0.542,51 0.072,52 0.486,53 4.346,54 -5.781,55 0.597,56 0.37,57 1.341,58 11.955,59 1.57,60 2.466,61 82.198,63 4.009,64 4.126,65 3.343,66 3.375,67 5.029,68 3.344,69 4.607,70 4.782,71 3.64,72 3.749,73 5.574,74 3.678,75 4.968,76 5.204,77 3.812,78 3.892,79 6.065,80 3.794,81 4.977,82 5.224,83 3.695,84 3.868,85 6.05,86 3.75,87 4.931,88 5.195,89 3.507,90 3.797,91 5.999,92 3.648,93 4.832,94 5.115,95 3.286,96 3.695,97 5.759,98 3.52,99 4.695,100 4.986,101 3.138,102 3.579,103 5.505,104 3.398,105 4.573,106 4.858,107 3.066,108 3.469,109 5.392,110 3.298,111 0.099,112 0.62,113 13.413,114 5.168,115 24.462,116 7.078,117 0.374,118 0.939,119 24.415,120 7.864,121 52.726,122 11.425,123 1.123,124 1.114,125 35.141,126 9.437,127 125.144,128 14.476,129 0.999,130 1.094,131 35.099,132 9.276,133 14.395,134 0.918,135 1.026,136 33.061,137 8.779,138 13.739,139 0.67,140 0.928,141 29.294,142 8.006,143 93.647,144 12.606,145 4.31}
{0 CHEMBL203759,1 46.312,2 0.612,3 3.728,4 4.444,5 4.858,6 5.201,7 0.615,8 1.383,9 0.73,10 2.338,11 1.623,12 0.016,13 0.123,14 0.093,15 0.733,16 5.8,17 1.281,18 1.127,19 0.818,20 0.924,21 1.009,22 1.369,23 115.276,24 117.468,25 0.415,26 1.183,27 3.541,28 2.027,29 0.611,30 0.037,31 0.404,32 0.095,33 0.391,34 1.482,35 1.346,36 1.472,37 1.463,38 0.89,39 1.008,40 0.96,41 0.97,42 59.7,43 2.525,44 0.006,45 0.19,46 0.004,48 0.002,49 2.78,50 0.535,51 0.059,52 0.416,53 4.346,54 -5.768,55 0.618,56 0.394,57 1.281,58 15.889,59 3.851,60 14.833,61 105.203,63 4.242,64 4.369,65 3.53,66 3.638,67 5.188,68 3.582,69 4.856,70 5.048,71 3.802,72 4.022,73 5.736,74 3.916,75 5.222,76 5.482,77 3.953,78 4.167,79 6.198,80 4.027,81 5.229,82 5.497,83 3.851,84 4.149,85 6.185,86 3.992,87 5.194,88 5.475,89 3.693,90 4.096,91 6.141,92 3.913,93 5.118,94 5.415,95 3.513,96 4.021,97 5.935,98 3.816,99 5.017,100 5.321,101 3.397,102 3.939,103 5.727,104 3.727,105 4.93,106 5.232,107 3.342,108 3.863,109 5.638,110 3.657,111 0.096,112 0.814,113 17.371,114 6.881,115 18.208,116 9.524,117 0.37,118 1.251,119 31.073,120 10.639,121 43.232,122 15.455,123 1.142,124 1.497,125 43.543,126 12.842,127 118.444,128 19.479,129 0.994,130 1.478,131 43.286,132 12.686,133 19.376,134 0.9,135 1.409,136 41.018,137 12.189,138 18.693,139 0.643,140 1.311,141 37.113,142 11.414,143 82.715,144 17.547,145 4.432}
{0 CHEMBL204095,1 55.734,2 0.749,3 4.227,4 5.012,5 5.247,6 5.247,7 0.753,8 1.415,9 0.888,10 1.387,11 0.602,12 -0.002,13 0.089,14 0.055,15 0.893,16 6.213,17 1.123,18 1.048,19 0.869,20 0.926,21 1.013,22 1.396,23 127.917,24 131.148,25 0.501,26 1.092,27 2.788,28 2.034,29 0.643,30 0.048,31 0.485,32 0.122,33 0.36,34 1.476,35 1.29,36 1.461,37 1.446,38 0.932,39 1.01,40 0.943,41 0.954,42 57.1,43 2.827,44 0.011,45 0.164,47 -0.004,48 0.002,49 2.783,50 0.544,51 0.076,52 0.503,53 4.346,54 -5.787,55 0.592,56 0.364,57 1.355,58 11.143,59 1.114,60 1.241,61 77.597,63 3.956,64 4.069,65 3.3,66 3.313,67 4.994,68 3.288,69 4.549,70 4.719,71 3.604,72 3.685,73 5.539,74 3.623,75 4.909,76 5.138,77 3.781,78 3.827,79 6.036,80 3.741,81 4.918,82 5.159,83 3.66,84 3.801,85 6.021,86 3.694,87 4.869,88 5.128,89 3.465,90 3.725,91 5.968,92 3.585,93 4.763,94 5.042,95 3.234,96 3.614,97 5.719,98 3.448,99 4.616,100 4.903,101 3.077,102 3.489,103 5.454,104 3.317,105 4.483,106 4.763,107 3,108 3.368,109 5.339,110 3.208,111 0.112,112 0.582,113 12.606,114 4.825,115 26.038,116 6.587,117 0.396,118 0.876,119 23.042,120 7.309,121 55.015,122 10.611,123 1.137,124 1.038,125 33.389,126 8.757,127 126.644,128 13.462,129 1.02,130 1.017,131 33.404,132 8.594,133 13.386,134 0.938,135 0.949,136 31.428,137 8.097,138 12.738,139 0.69,140 0.851,141 27.7,142 7.325,143 96.254,144 11.609,145 4.387}
{0 CHEMBL204300,1 52.291,2 0.698,3 4.056,4 4.836,5 5.208,6 5.381,7 0.702,8 1.403,9 0.833,10 1.726,11 0.945,12 0.006,13 0.103,14 0.072,15 0.837,16 6.045,17 1.181,18 1.078,19 0.847,20 0.924,21 1.011,22 1.385,23 123.184,24 125.999,25 0.468,26 1.128,27 3.064,28 2.031,29 0.63,30 0.043,31 0.455,32 0.111,33 0.372,34 1.478,35 1.313,36 1.466,37 1.453,38 0.914,39 1.01,40 0.951,41 0.961,42 58.2,43 2.718,44 0.009,45 0.176,46 0.002,47 -0.002,48 0.002,49 2.781,50 0.54,51 0.069,52 0.47,53 4.346,54 -5.777,55 0.602,56 0.376,57 1.327,58 12.739,59 2.027,60 4.107,61 86.799,63 4.06,64 4.179,65 3.383,66 3.434,67 5.063,68 3.396,69 4.662,70 4.841,71 3.674,72 3.81,73 5.609,74 3.73,75 5.024,76 5.266,77 3.842,78 3.954,79 6.093,80 3.846,81 5.033,82 5.285,83 3.728,84 3.931,85 6.078,86 3.803,87 4.989,88 5.257,89 3.547,90 3.865,91 6.029,92 3.707,93 4.896,94 5.183,95 3.336,96 3.769,97 5.797,98 3.586,99 4.768,100 5.062,101 3.196,102 3.662,103 5.553,104 3.473,105 4.655,106 4.945,107 3.128,108 3.561,109 5.446,110 3.381,111 0.086,112 0.659,113 14.213,114 5.511,115 23.009,116 7.569,117 0.354,118 1.001,119 25.771,120 8.42,121 50.578,122 12.236,123 1.11,124 1.191,125 36.864,126 10.118,127 123.687,128 15.484,129 0.98,130 1.171,131 36.771,132 9.958,133 15.398,134 0.899,135 1.102,136 34.677,137 9.461,138 14.736,139 0.65,140 1.004,141 30.876,142 8.688,143 91.185,144 13.6,145 4.431}
{0 CHEMBL204504,1 48.504,2 0.669,3 3.797,4 4.639,5 5.04,6 5.226,7 0.669,8 1.38,9 0.818,10 1.876,11 1.034,12 0.009,13 0.107,14 0.074,15 0.818,16 6.009,17 1.204,18 1.083,19 0.845,20 0.907,21 1,22 1.38,23 119.408,24 122.226,25 0.413,26 1.148,27 3.331,28 1.993,29 0.595,31 0.405,32 0.095,33 0.387,34 1.544,35 1.351,36 1.477,37 1.461,38 0.9,39 1.008,40 0.958,41 0.967,42 58.8,43 2.342,44 0.007,45 0.182,46 0.016,47 -0.009,48 -0.002,49 2.774,50 0.533,52 0.413,53 4.207,54 -5.733,55 0.612,56 0.383,57 1.333,58 11.143,59 1.505,60 2.264,61 77.553,63 3.991,64 4.109,65 3.307,66 3.34,67 4.975,68 3.308,69 4.606,70 4.788,71 3.611,72 3.723,73 5.549,74 3.649,75 4.96,76 5.202,77 3.786,78 3.862,79 6.045,80 3.763,81 4.957,82 5.205,83 3.665,84 3.83,85 6.025,86 3.713,87 4.91,88 5.176,89 3.471,90 3.757,91 5.973,92 3.607,93 4.808,94 5.094,95 3.241,96 3.65,97 5.725,98 3.473,99 4.668,100 4.962,101 3.086,102 3.529,103 5.461,104 3.346,105 4.542,106 4.831,107 3.01,108 3.413,109 5.343,110 3.24,111 0.099,112 0.601,113 13.364,114 5.003,115 21.086,116 6.982,117 0.383,118 0.905,119 24.45,120 7.587,121 49.332,122 11.292,123 1.132,124 1.057,125 34.735,126 8.95,127 120.694,128 14.06,129 1,130 1.026,131 34.271,132 8.691,133 13.807,134 0.919,135 0.958,136 32.151,137 8.193,138 13.118,139 0.67,140 0.862,141 28.335,142 7.433,143 87.412,144 11.969,145 4.495}
{0 CHEMBL204863,1 44.006,2 0.602,3 3.554,4 4.336,5 4.777,6 5.128,7 0.602,8 1.367,9 0.734,10 2.353,11 1.571,12 0.017,13 0.124,14 0.093,15 0.734,16 5.809,17 1.281,18 1.123,19 0.82,20 0.91,21 1,22 1.367,23 113.27,24 115.568,25 0.376,26 1.192,27 3.687,28 1.999,29 0.583,31 0.368,32 0.083,33 0.401,34 1.536,35 1.374,36 1.479,37 1.467,38 0.883,39 1.007,40 0.965,41 0.974,42 60,43 2.22,44 0.005,45 0.195,46 0.015,47 -0.005,48 -0.001,49 2.775,50 0.53,52 0.376,53 4.233,54 -5.74,55 0.624,56 0.397,57 1.295,58 13.542,59 2.873,60 8.256,61 91.356,63 4.139,64 4.265,65 3.427,66 3.512,67 5.078,68 3.463,69 4.762,70 4.955,71 3.714,72 3.9,73 5.652,74 3.803,75 5.122,76 5.378,77 3.875,78 4.041,79 6.129,80 3.913,81 5.119,82 5.381,83 3.765,84 4.014,85 6.11,86 3.871,87 5.079,88 5.356,89 3.591,90 3.954,91 6.062,92 3.781,93 4.994,94 5.289,95 3.39,96 3.867,97 5.838,98 3.67,99 4.879,100 5.181,101 3.258,102 3.77,103 5.606,104 3.566,105 4.778,106 5.078,107 3.194,108 3.68,109 5.505,110 3.482,111 0.084,112 0.718,113 15.728,114 6.039,115 17.198,116 8.443,117 0.356,118 1.094,119 28.407,120 9.259,121 43.286,122 13.69,123 1.122,124 1.287,125 39.738,126 10.994,127 116.618,128 17.033,129 0.975,130 1.257,131 39.168,132 10.739,133 16.773,134 0.889,135 1.189,136 36.906,137 10.241,138 16.071,139 0.637,140 1.092,141 33.005,142 9.478,143 80.809,144 14.915,145 4.523}
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