@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4697

@attribute molecule_id {CHEMBL202600,CHEMBL202645,CHEMBL203545,CHEMBL203759,CHEMBL204095,CHEMBL204300,CHEMBL204504,CHEMBL204863,CHEMBL204956,CHEMBL249474,CHEMBL379680,CHEMBL383424,CHEMBL383746}
@attribute ATSC8s numeric
@attribute BIC2 numeric
@attribute IC2 numeric
@attribute IC3 numeric
@attribute IC4 numeric
@attribute IC5 numeric
@attribute SIC2 numeric
@attribute SpMAD_EA.bo. numeric
@attribute BIC3 numeric
@attribute CIC2 numeric
@attribute CIC3 numeric
@attribute MATS4m numeric
@attribute MATS4s numeric
@attribute MATS5s numeric
@attribute SIC3 numeric
@attribute AMW numeric
@attribute Eta_C_A numeric
@attribute GATS1m numeric
@attribute GATS3e numeric
@attribute GATS3m numeric
@attribute PCR numeric
@attribute SpMAD_AEA.bo. numeric
@attribute ATSC4s numeric
@attribute ATSC5s numeric
@attribute BIC1 numeric
@attribute BLI numeric
@attribute CIC1 numeric
@attribute Eig04_AEA.dm. numeric
@attribute Eta_beta_A numeric
@attribute Eta_betaP_A numeric
@attribute Eta_F_A numeric
@attribute Eta_FL_A numeric
@attribute Eta_L_A numeric
@attribute GATS1p numeric
@attribute GATS1v numeric
@attribute GATS2i numeric
@attribute GATS2p numeric
@attribute GATS2s numeric
@attribute GATS3p numeric
@attribute GATS5i numeric
@attribute GATS5p numeric
@attribute H. numeric
@attribute IC1 numeric
@attribute MATS1v numeric
@attribute MATS3s numeric
@attribute MATS3v numeric
@attribute MATS8i numeric
@attribute MATS8p numeric
@attribute MAXDN numeric
@attribute Mv numeric
@attribute PCD numeric
@attribute SIC1 numeric
@attribute SpMax7_Bh.s. numeric
@attribute SsssCH numeric
@attribute X0Av numeric
@attribute X1Av numeric
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute ARR numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute ATS2s numeric
@attribute ATS2v numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS3m numeric
@attribute ATS3p numeric
@attribute ATS3s numeric
@attribute ATS3v numeric
@attribute ATS4e numeric
@attribute ATS4i numeric
@attribute ATS4m numeric
@attribute ATS4p numeric
@attribute ATS4s numeric
@attribute ATS4v numeric
@attribute ATS5e numeric
@attribute ATS5i numeric
@attribute ATS5m numeric
@attribute ATS5p numeric
@attribute ATS5s numeric
@attribute ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6i numeric
@attribute ATS6m numeric
@attribute ATS6p numeric
@attribute ATS6s numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7i numeric
@attribute ATS7m numeric
@attribute ATS7p numeric
@attribute ATS7s numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC1e numeric
@attribute ATSC1i numeric
@attribute ATSC1m numeric
@attribute ATSC1p numeric
@attribute ATSC1s numeric
@attribute ATSC1v numeric
@attribute ATSC2e numeric
@attribute ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC2p numeric
@attribute ATSC2s numeric
@attribute ATSC2v numeric
@attribute ATSC3e numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC3p numeric
@attribute ATSC3s numeric
@attribute ATSC3v numeric
@attribute ATSC4e numeric
@attribute ATSC4i numeric
@attribute ATSC4m numeric
@attribute ATSC4p numeric
@attribute ATSC4v numeric
@attribute ATSC5e numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5v numeric
@attribute ATSC6e numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6s numeric
@attribute ATSC6v numeric
@attribute pXC50 numeric

@data
{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}
{0 CHEMBL204956,1 50.716,2 0.675,3 3.97,4 4.737,5 5.134,6 5.375,7 0.678,8 1.397,9 0.805,10 1.888,11 1.121,12 0.01,13 0.109,14 0.078,15 0.809,16 5.974,17 1.208,18 1.091,19 0.838,20 0.924,21 1.011,22 1.383,23 121.021,24 123.657,25 0.453,26 1.143,27 3.192,28 2.03,29 0.625,30 0.042,31 0.441,32 0.106,33 0.377,34 1.479,35 1.322,36 1.467,37 1.456,38 0.906,39 1.009,40 0.953,41 0.963,42 58.6,43 2.666,44 0.008,45 0.18,46 0.003,47 -0.001,48 0.002,49 2.781,50 0.539,51 0.066,52 0.455,53 4.346,54 -5.774,55 0.606,56 0.381,57 1.314,58 13.542,59 2.483,60 6.164,61 91.4,63 4.109,64 4.23,65 3.422,66 3.489,67 5.095,68 3.446,69 4.714,70 4.897,71 3.708,72 3.868,73 5.642,74 3.78,75 5.078,76 5.325,77 3.871,78 4.012,79 6.12,80 3.894,81 5.086,82 5.342,83 3.76,84 3.99,85 6.106,86 3.854,87 5.044,88 5.316,89 3.585,90 3.928,91 6.058,92 3.763,93 4.956,94 5.246,95 3.383,96 3.838,97 5.833,98 3.649,99 4.836,100 5.134,101 3.25,102 3.739,103 5.6,104 3.543,105 4.731,106 5.025,107 3.186,108 3.646,109 5.498,110 3.457,111 0.077,112 0.698,113 15.009,114 5.854,115 21.668,116 8.058,117 0.339,118 1.064,119 27.113,120 8.974,121 48.563,122 13.044,123 1.101,124 1.267,125 38.562,126 10.799,127 122.285,128 16.488,129 0.966,130 1.248,131 38.422,132 10.64,133 16.397,134 0.884,135 1.179,136 36.278,137 10.143,138 15.729,139 0.635,140 1.081,141 32.447,142 9.369,143 88.868,144 14.59,145 4.444}
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