@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL5327

@attribute molecule_id {CHEMBL116757,CHEMBL185933,CHEMBL187523,CHEMBL187791,CHEMBL188542,CHEMBL188707,CHEMBL188888,CHEMBL189250,CHEMBL189666,CHEMBL189700,CHEMBL189955,CHEMBL191106,CHEMBL263750,CHEMBL327002,CHEMBL359770,CHEMBL362522,CHEMBL362791,CHEMBL364185,CHEMBL365259,CHEMBL365923,CHEMBL408720,CHEMBL434902,CHEMBL439668}
@attribute JGI6 numeric
@attribute RBF numeric
@attribute MATS7m numeric
@attribute GATS6s numeric
@attribute Eta_sh_p numeric
@attribute MATS7e numeric
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute AMW 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 ATSC4s numeric
@attribute ATSC4v numeric
@attribute ATSC5e numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5s numeric
@attribute ATSC5v numeric
@attribute ATSC6e numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6s numeric
@attribute ATSC6v numeric
@attribute ATSC7e numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7p numeric
@attribute ATSC7s numeric
@attribute ATSC7v numeric
@attribute ATSC8e numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v numeric
@attribute BAC numeric
@attribute BBI numeric
@attribute BIC0 numeric
@attribute BIC1 numeric
@attribute BIC2 numeric
@attribute BIC3 numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute pXC50 numeric

@data
{1 0.01,2 0.13,3 -0.111,4 1.605,5 0.032,6 -0.114,7 1.497,8 11.182,9 2.102,10 4.418,11 84.857,12 6.873,13 0.417,14 3.878,15 3.997,16 3.38,17 3.354,18 4.871,19 3.336,20 4.461,21 4.645,22 3.681,23 3.726,24 5.428,25 3.681,26 4.7,27 4.94,28 3.633,29 3.816,30 5.626,31 3.711,32 4.661,33 4.923,34 3.425,35 3.723,36 5.5,37 3.585,38 4.561,39 4.844,40 3.276,41 3.561,42 5.393,43 3.42,44 4.413,45 4.663,46 3.236,47 3.445,48 5.357,49 3.335,50 4.349,51 4.612,52 3.073,53 3.369,54 5.214,55 3.237,56 4.228,57 4.492,58 3.046,59 3.302,60 5.054,61 3.169,62 0.011,63 0.62,64 10.132,65 4.159,66 4.573,67 5.647,68 0.234,69 0.987,70 19.684,71 6.573,72 21.104,73 9.31,74 0.508,75 1.13,76 26.064,77 8.393,78 42.135,79 12.214,80 0.264,81 1.058,82 24.937,83 8.275,84 30.739,85 12.162,86 0.316,87 0.917,88 23.041,89 7.323,90 33.326,91 10.797,92 0.256,93 0.811,94 19.675,95 6.041,96 33.634,97 8.85,98 0.332,99 0.759,100 18.623,101 5.54,102 32.333,103 8.272,104 0.288,105 0.678,106 16.267,107 5.29,108 19.99,109 7.795,110 2,111 31,112 0.263,113 0.562,114 0.72,115 0.822,116 0.846,117 0.846,118 5.495}
{0 CHEMBL185933,1 0.024,2 0.125,3 -0.112,4 1.453,5 0.18,6 -0.05,7 1.692,8 15.722,9 3.977,10 15.817,11 134.572,12 8.321,13 0.564,14 4.218,15 4.309,16 3.978,17 3.8,18 5.407,19 3.776,20 4.723,21 4.844,22 4.309,23 4.186,24 6.122,25 4.151,26 5.009,27 5.167,28 4.388,29 4.336,30 6.277,31 4.268,32 5.134,33 5.329,34 4.383,35 4.307,36 6.383,37 4.242,38 5.057,39 5.229,40 4.243,41 4.196,42 6.592,43 4.142,44 4.91,45 5.097,46 4.049,47 4.084,48 6.172,49 4.023,50 4.736,51 4.909,52 4.002,53 4.033,54 6.013,55 3.954,56 4.772,57 4.981,58 3.852,59 3.973,60 5.969,61 3.883,62 0.184,63 0.876,64 13.37,65 5.887,66 29.519,67 6.362,68 0.515,69 1.366,70 21.249,71 9.931,72 87.18,73 11.535,74 0.732,75 1.759,76 33.602,77 13.33,78 94.473,79 15.167,80 0.874,81 1.893,82 43.884,83 14.649,84 127.802,85 16.521,86 1.256,87 1.649,88 42.573,89 13.965,90 234.275,91 15.105,92 0.797,93 1.429,94 31.191,95 11.348,96 131.078,97 12.922,98 0.472,99 1.31,100 25.407,101 10.261,102 62.707,103 11.99,104 0.558,105 1.309,106 28.517,107 10.307,108 83.041,109 12.498,110 72,111 57,112 0.268,113 0.608,114 0.729,115 0.821,116 0.843,117 0.843,118 8.824}
{0 CHEMBL187523,1 0.022,2 0.129,3 -0.139,4 1.489,5 0.16,6 -0.124,7 1.649,8 15.086,9 4.724,10 22.313,11 129.871,12 8.349,13 0.579,14 4.182,15 4.265,16 3.954,17 3.783,18 5.355,19 3.755,20 4.694,21 4.812,22 4.277,23 4.165,24 6.089,25 4.126,26 4.978,27 5.137,28 4.354,29 4.307,30 6.232,31 4.235,32 5.086,33 5.275,34 4.35,35 4.271,36 6.343,37 4.206,38 5.017,39 5.185,40 4.2,41 4.161,42 6.554,43 4.107,44 4.861,45 5.044,46 4.023,47 4.056,48 6.142,49 3.995,50 4.714,51 4.889,52 3.948,53 4.015,54 5.934,55 3.93,56 4.728,57 4.937,58 3.818,59 3.951,60 5.901,61 3.853,62 0.156,63 0.813,64 12.744,65 5.85,66 24.854,67 6.256,68 0.497,69 1.296,70 20.474,71 9.709,72 84.845,73 11.164,74 0.7,75 1.68,76 33.004,77 13.235,78 90.977,79 14.94,80 0.818,81 1.818,82 41.757,83 14.22,84 120.393,85 15.574,86 1.195,87 1.589,88 41.267,89 13.719,90 227.879,91 14.408,92 0.716,93 1.378,94 29.289,95 10.961,96 122.674,97 12.301,98 0.425,99 1.268,100 25.122,101 10.141,102 55.728,103 11.668,104 0.469,105 1.257,106 27.264,107 10.331,108 70.429,109 12.557,110 57,111 55,112 0.263,113 0.587,114 0.713,115 0.821,116 0.843,117 0.843,118 8.886}
{0 CHEMBL187791,1 0.025,2 0.143,3 -0.057,4 1.234,5 0.201,6 0.044,7 1.775,8 17.325,9 4.107,10 16.869,11 148.707,12 8.742,13 0.512,14 4.315,15 4.392,16 4.197,17 3.907,18 5.472,19 3.872,20 4.845,21 4.958,22 4.461,23 4.279,24 6.349,25 4.243,26 5.124,27 5.277,28 4.506,29 4.423,30 6.422,31 4.357,32 5.21,33 5.393,34 4.536,35 4.421,36 6.487,37 4.353,38 5.178,39 5.337,40 4.424,41 4.344,42 6.712,43 4.287,44 5.061,45 5.244,46 4.273,47 4.24,48 6.342,49 4.177,50 4.901,51 5.066,52 4.2,53 4.158,54 6.229,55 4.089,56 4.878,57 5.08,58 4.058,59 4.07,60 6.068,61 3.987,62 0.253,63 0.989,64 15.947,65 6.927,66 40.768,67 6.936,68 0.796,69 1.549,70 27.06,71 11.709,72 128.282,73 12.737,74 1.087,75 1.941,76 37.188,77 14.701,78 147.671,79 15.732,80 1.076,81 2.061,82 47.932,83 16.572,84 146.845,85 17.834,86 1.519,87 1.869,88 47.412,89 16.174,90 268.425,91 16.649,92 1.055,93 1.668,94 37.742,95 13.806,96 168.427,97 15.211,98 0.853,99 1.498,100 29.268,101 11.986,102 94.918,103 13.616,104 0.769,105 1.451,106 32.813,107 11.56,108 104.365,109 13.58,110 116,111 64,112 0.275,113 0.606,114 0.742,115 0.823,116 0.844,117 0.844,118 9.367}
{0 CHEMBL188542,1 0.02,2 0.15,3 -0.071,4 1.007,5 0.142,6 -0.167,7 1.75,8 15.722,9 2.634,10 6.938,11 128.734,12 8.905,13 0.564,14 4.166,15 4.245,16 3.978,17 3.752,18 5.416,19 3.745,20 4.654,21 4.75,22 4.301,23 4.128,24 6.156,25 4.109,26 4.941,27 5.085,28 4.356,29 4.256,30 6.276,31 4.207,32 5.005,33 5.164,34 4.346,35 4.21,36 6.354,37 4.173,38 4.954,39 5.114,40 4.31,41 4.106,42 6.64,43 4.086,44 4.815,45 4.974,46 4.134,47 4.025,48 6.352,49 3.99,50 4.733,51 4.909,52 3.998,53 3.971,54 6.049,55 3.917,56 4.648,57 4.82,58 3.894,59 3.894,60 5.989,61 3.846,62 0.234,63 0.819,64 10.851,65 5.348,66 39.9,67 5.136,68 0.6,69 1.26,70 16.372,71 8.867,72 100.955,73 9.387,74 0.948,75 1.612,76 29.664,77 12.119,78 135.438,79 12.32,80 1.036,81 1.667,82 36.25,83 12.929,84 163.166,85 12.752,86 1.404,87 1.506,88 32.299,89 11.506,90 277.826,91 12.513,92 0.985,93 1.344,94 27.287,95 10.379,96 179.732,97 10.932,98 0.713,99 1.264,100 25.833,101 9.894,102 103.932,103 10.622,104 0.635,105 1.17,106 22.785,107 8.812,108 98.06,109 9.493,110 58,111 56,112 0.28,113 0.603,114 0.737,115 0.849,116 0.872,117 0.872,118 8.597}
{0 CHEMBL188707,1 0.022,2 0.141,3 -0.132,4 1.177,5 0.093,6 -0.162,7 1.74,8 16.474,9 3.466,10 12.012,11 137.872,12 8.843,13 0.643,14 4.226,15 4.308,16 4.037,17 3.819,18 5.436,19 3.811,20 4.719,21 4.824,22 4.356,23 4.203,24 6.15,25 4.182,26 4.98,27 5.135,28 4.382,29 4.313,30 6.251,31 4.253,32 5.039,33 5.202,34 4.37,35 4.271,36 6.327,37 4.225,38 5.006,39 5.179,40 4.35,41 4.192,42 6.552,43 4.162,44 4.893,45 5.056,46 4.288,47 4.133,48 6.285,49 4.098,50 4.847,51 5.018,52 4.136,53 4.081,54 6.19,55 4.032,56 4.738,57 4.916,58 3.973,59 4.005,60 6.017,61 3.95,62 0.205,63 0.883,64 11.36,65 5.514,66 27.024,67 5.418,68 0.572,69 1.389,70 17.439,71 9.035,72 81.684,73 9.628,74 0.822,75 1.716,76 30.712,77 12.648,78 93.156,79 13.432,80 0.908,81 1.768,82 36.819,83 13.395,84 126.366,85 13.267,86 1.189,87 1.652,88 33.304,89 12.334,90 200.021,91 13.675,92 0.818,93 1.52,94 28.642,95 11.029,96 92.07,97 11.72,98 0.803,99 1.437,100 30.779,101 11.173,102 98.825,103 11.525,104 0.631,105 1.3,106 25.059,107 9.66,108 89.301,109 10.479,110 27,111 60,112 0.274,113 0.61,114 0.752,115 0.857,116 0.878,117 0.878,118 8.092}
{0 CHEMBL188888,1 0.024,2 0.129,3 -0.041,4 1.467,5 0.195,6 -0.015,7 1.751,8 15.722,9 5.388,10 29.032,11 134.676,12 8.933,13 0.564,14 4.187,15 4.265,16 4.007,17 3.803,18 5.371,19 3.775,20 4.7,21 4.811,22 4.354,23 4.191,24 6.113,25 4.152,26 4.987,27 5.135,28 4.431,29 4.338,30 6.263,31 4.265,32 5.092,33 5.274,34 4.424,35 4.299,36 6.365,37 4.233,38 5.024,39 5.184,40 4.298,41 4.186,42 6.58,43 4.133,44 4.864,45 5.044,46 4.073,47 4.07,48 6.146,49 4.01,50 4.722,51 4.888,52 4.078,53 4.032,54 6.007,55 3.954,56 4.733,57 4.937,58 3.884,59 3.974,60 5.92,61 3.875,62 0.184,63 0.802,64 11.253,65 5.727,66 26.078,67 5.898,68 0.543,69 1.278,70 18.912,71 9.613,72 86.265,73 10.761,74 0.805,75 1.656,76 33.784,77 13.457,78 96.28,79 14.567,80 0.94,81 1.805,82 42.246,83 14.637,84 126.323,85 15.296,86 1.346,87 1.577,88 43.035,89 14.176,90 234.223,91 14.185,92 0.809,93 1.375,94 28.613,95 11.151,96 129.553,97 12.037,98 0.566,99 1.253,100 25.36,101 10.21,102 62.671,103 11.398,104 0.558,105 1.248,106 28.239,107 10.575,108 73.805,109 12.433,110 72,111 57,112 0.279,113 0.614,114 0.732,115 0.826,116 0.843,117 0.843,118 9.222}
{0 CHEMBL189250,1 0.021,2 0.14,3 -0.081,4 0.969,5 0.125,6 -0.155,7 1.715,8 14.971,9 2.993,10 8.955,11 122.42,12 8.899,13 0.595,14 4.117,15 4.187,16 3.935,17 3.706,18 5.353,19 3.697,20 4.606,21 4.696,22 4.249,23 4.081,24 6.083,25 4.062,26 4.884,27 5.027,28 4.324,29 4.206,30 6.222,31 4.156,32 4.945,33 5.094,34 4.295,35 4.144,36 6.365,37 4.108,38 4.869,39 5.03,40 4.13,41 4.024,42 6.519,43 3.993,44 4.683,45 4.852,46 3.972,47 3.932,48 5.978,49 3.886,50 4.636,51 4.809,52 3.907,53 3.879,54 5.931,55 3.822,56 4.559,57 4.738,58 3.782,59 3.8,60 5.849,61 3.744,62 0.231,63 0.75,64 10.521,65 5.249,66 37.548,67 4.95,68 0.591,69 1.173,70 15.804,71 8.478,72 94.603,73 8.694,74 0.885,75 1.512,76 28.449,77 11.731,78 108.719,79 12.148,80 1.11,81 1.544,82 34.971,83 12.251,84 178.469,85 11.739,86 1.299,87 1.353,88 29.892,89 11.023,90 246.181,91 11.907,92 0.625,93 1.184,94 21.766,95 9.243,96 87.513,97 10.166,98 0.628,99 1.146,100 23.508,101 9.13,102 81.605,103 9.722,104 0.597,105 1.053,106 21.978,107 8.382,108 88.936,109 9.089,110 44,111 53,112 0.278,113 0.6,114 0.728,115 0.849,116 0.873,117 0.873,118 8.347}
{0 CHEMBL189666,1 0.022,2 0.127,3 -0.119,4 1.476,5 0.16,6 -0.106,7 1.662,8 15.086,9 4.714,10 22.218,11 132.117,12 8.193,13 0.579,14 4.194,15 4.289,16 3.949,17 3.797,18 5.351,19 3.762,20 4.705,21 4.834,22 4.27,23 4.187,24 6.08,25 4.137,26 4.997,27 5.168,28 4.348,29 4.336,30 6.215,31 4.253,32 5.118,33 5.319,34 4.35,35 4.298,36 6.359,37 4.223,38 5.043,39 5.223,40 4.197,41 4.186,42 6.556,43 4.12,44 4.878,45 5.071,46 4.019,47 4.079,48 6.14,49 4.008,50 4.743,51 4.931,52 3.948,53 4.039,54 5.94,55 3.944,56 4.75,57 4.967,58 3.816,59 3.967,60 5.907,61 3.863,62 0.147,63 0.863,64 13.443,65 5.793,66 24.44,67 6.478,68 0.465,69 1.369,70 21.286,71 9.723,72 84.202,73 11.665,74 0.548,75 1.779,76 33.823,77 13.362,78 82.441,79 15.705,80 0.749,81 1.903,82 43.483,83 14.393,84 121.899,85 16.416,86 1.136,87 1.646,88 42.668,89 13.993,90 227.515,91 15.29,92 0.631,93 1.434,94 30.007,95 11.017,96 118.429,97 12.903,98 0.363,99 1.329,100 26.314,101 10.364,102 55.231,103 12.417,104 0.426,105 1.286,106 28.236,107 10.545,108 70.789,109 13.073,110 57,111 55,112 0.264,113 0.587,114 0.718,115 0.824,116 0.846,117 0.846,118 7.451}
{0 CHEMBL189700,1 0.021,2 0.141,3 -0.052,4 1.33,5 0.155,6 0.056,7 1.728,8 19.533,9 5.684,10 32.306,11 168.484,12 8.754,13 0.571,14 4.415,15 4.491,16 4.285,17 4.035,18 5.577,19 3.999,20 4.935,21 5.04,22 4.586,23 4.418,24 6.408,25 4.375,26 5.22,27 5.369,28 4.672,29 4.57,30 6.509,31 4.495,32 5.336,33 5.512,34 4.674,35 4.543,36 6.652,37 4.479,38 5.284,39 5.443,40 4.544,41 4.456,42 6.813,43 4.408,44 5.145,45 5.314,46 4.4,47 4.386,48 6.435,49 4.328,50 5.041,51 5.206,52 4.35,53 4.352,54 6.332,55 4.279,56 5.032,57 5.23,58 4.238,59 4.281,60 6.198,61 4.196,62 0.243,63 1.061,64 16.688,65 7.515,66 38.619,67 7.491,68 0.757,69 1.676,70 25.252,71 12.429,72 123.163,73 13.551,74 0.93,75 2.188,76 42.033,77 17.306,78 115.933,79 18.295,80 1.167,81 2.384,82 55.205,83 19.043,84 160.484,85 19.314,86 1.611,87 2.122,88 52.96,89 18.003,90 286.806,91 17.819,92 1.022,93 1.861,94 38.65,95 15.044,96 165.249,97 15.984,98 0.833,99 1.749,100 32.372,101 13.972,102 91.843,103 15.966,104 0.692,105 1.738,106 36.066,107 13.912,108 96.444,109 16.502,110 89,111 72,112 0.261,113 0.555,114 0.684,115 0.814,116 0.846,117 0.846,118 8.469}
{0 CHEMBL189955,1 0.023,2 0.132,3 -0.066,4 0.919,5 0.11,6 -0.164,7 1.712,8 14.75,9 3.503,10 12.272,11 116.457,12 9.01,13 0.629,14 4.041,15 4.11,16 3.884,17 3.655,18 5.266,19 3.642,20 4.525,21 4.615,22 4.192,23 4.023,24 6.024,25 4.001,26 4.781,27 4.917,28 4.206,29 4.13,30 6.119,31 4.074,32 4.806,33 4.965,34 4.12,35 4.048,36 6.107,37 4.003,38 4.708,39 4.876,40 3.994,41 3.927,42 6.271,43 3.884,44 4.576,45 4.755,46 3.867,47 3.829,48 5.839,49 3.777,50 4.485,51 4.653,52 3.812,53 3.766,54 5.777,55 3.711,56 4.413,57 4.571,58 3.715,59 3.711,60 5.741,61 3.663,62 0.185,63 0.691,64 9.426,65 4.787,66 28.49,67 4.473,68 0.519,69 1.079,70 14.02,71 7.693,72 77.585,73 7.885,74 0.773,75 1.362,76 26.026,77 10.82,78 94.545,79 10.799,80 0.757,81 1.37,82 27.433,83 10.576,84 110.928,85 10.377,86 0.882,87 1.195,88 23.427,89 9.562,90 162.262,91 10.742,92 0.525,93 1.077,94 19.941,95 8.417,96 71.721,97 9.309,98 0.505,99 1.004,100 20.142,101 7.903,102 65.448,103 8.152,104 0.465,105 0.927,106 17.701,107 7.184,108 68.059,109 7.325,110 30,111 50,112 0.281,113 0.578,114 0.703,115 0.835,116 0.861,117 0.861,118 7.658}
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