@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4013

@attribute molecule_id {CHEMBL137822,CHEMBL137860,CHEMBL137895,CHEMBL137896,CHEMBL137965,CHEMBL137986,CHEMBL138234,CHEMBL138320,CHEMBL138423,CHEMBL138470,CHEMBL138479,CHEMBL138589,CHEMBL138612,CHEMBL138974,CHEMBL139059,CHEMBL140709,CHEMBL140950,CHEMBL141580,CHEMBL141722,CHEMBL141723,CHEMBL142062,CHEMBL336660,CHEMBL341787,CHEMBL341960,CHEMBL342608,CHEMBL342811,CHEMBL343810,CHEMBL343931,CHEMBL423541,CHEMBL423552}
@attribute SaaS numeric
@attribute ATSC5s numeric
@attribute DELS numeric
@attribute MAXDN numeric
@attribute SdssC numeric
@attribute SpMin3_Bh.i. numeric
@attribute TIE numeric
@attribute P_VSA_e_5 numeric
@attribute P_VSA_LogP_7 numeric
@attribute P_VSA_p_2 numeric
@attribute TPSA.NO. numeric
@attribute Eig06_AEA.dm. numeric
@attribute SpMax6_Bh.s. numeric
@attribute SsssCH numeric
@attribute GATS4m numeric
@attribute SpMin1_Bh.e. numeric
@attribute SpMin1_Bh.i. numeric
@attribute SpMin1_Bh.s. numeric
@attribute SpMin2_Bh.s. numeric
@attribute Eta_alpha_A 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 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 BID numeric
@attribute BLI numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute Br.094 numeric
@attribute Br.095 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.016 numeric
@attribute C.017 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.027 numeric
@attribute C.028 numeric
@attribute C.033 numeric
@attribute C.034 numeric
@attribute C.035 numeric
@attribute C.037 numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_LL numeric
@attribute pXC50 numeric

@data
{1 2.916,2 73.684,3 28.048,4 2.089,5 -0.497,6 1.516,7 45.715,8 61.29,9 180.266,10 96.086,11 72.2,12 2.193,13 4.157,14 -0.503,15 0.496,16 1.751,17 1.728,18 1.043,19 0.934,20 0.533,21 1.943,22 10.917,23 4.234,24 17.926,25 100.5,26 11.496,27 0.385,28 3.733,29 3.802,30 3.748,31 3.448,32 4.927,33 3.377,34 4.224,35 4.331,36 4.188,37 3.821,38 5.488,39 3.729,40 4.377,41 4.511,42 4.289,43 3.837,44 5.601,45 3.725,46 4.412,47 4.563,48 3.996,49 3.687,50 5.713,51 3.627,52 4.319,53 4.46,54 3.867,55 3.562,56 5.718,57 3.488,58 4.164,59 4.309,60 3.687,61 3.52,62 5.411,63 3.41,64 4.07,65 4.216,66 3.911,67 3.471,68 5.466,69 3.364,70 4.06,71 4.239,72 3.611,73 3.44,74 5.164,75 3.29,76 0.091,77 0.487,78 1.292,79 3.236,80 7.105,81 3.261,82 0.344,83 0.828,84 10.071,85 6.36,86 28.584,87 6.338,88 0.397,89 0.952,90 30.118,91 8.261,92 35.132,93 7.023,94 0.497,95 0.99,96 18.615,97 8.24,98 47.483,99 6.754,100 0.664,101 0.87,102 16.886,103 7,104 5.415,105 0.343,106 0.757,107 19.814,108 7.011,109 42.1,110 5.896,111 0.373,112 0.673,113 11.748,114 5.719,115 51.362,116 5.334,117 0.249,118 0.703,119 20.812,120 6.787,121 21.159,122 6.577,123 26,124 37,125 0.348,126 0.743,127 0.867,128 0.887,129 0.887,130 0.887,131 3.228,132 1.108,133 -4.2,134 -4.14,135 -3.91,136 1,138 43.2,139 2,142 2,144 1,145 2,146 1,149 2,150 1,151 1,154 3,155 2,156 5,157 7,158 6,159 4,160 1,161 6,163 2,164 5.951}
{0 CHEMBL137860,1 1.375,2 79.897,3 30.804,4 2.105,5 -0.593,6 1.557,7 50.536,8 61.29,9 184.302,10 96.086,11 72.2,12 2.103,13 4.359,14 -0.539,15 1.246,16 1.915,17 1.895,18 1.104,19 1.036,20 0.494,21 1.812,22 11,23 4.197,24 17.611,25 98.847,26 9.372,27 0.407,28 3.799,29 3.881,30 3.599,31 3.447,32 5.003,33 3.409,34 4.29,35 4.412,36 4.002,37 3.807,38 5.555,39 3.754,40 4.49,41 4.643,42 4.058,43 3.881,44 5.722,45 3.818,46 4.541,47 4.7,48 3.989,49 3.789,50 5.832,51 3.726,52 4.406,53 4.563,54 3.716,55 3.604,56 5.776,57 3.538,58 4.258,59 4.414,60 3.677,61 3.534,62 5.596,63 3.464,64 4.168,65 4.332,66 3.579,67 3.481,68 5.526,69 3.406,70 4.176,71 4.37,72 3.489,73 3.485,74 5.318,75 3.376,76 0.079,77 0.531,78 5.314,79 3.564,80 7.586,81 3.843,82 0.332,83 0.868,84 13.178,85 6.227,86 29.222,87 6.995,88 0.385,89 1.028,90 17.575,91 7.531,92 39.145,93 8.14,94 0.539,95 1.047,96 27.036,97 8.782,98 55.135,99 8.388,100 0.669,101 0.896,102 20.245,103 6.933,104 6.632,105 0.422,106 0.801,107 18.999,108 6.694,109 54.646,110 6.467,111 0.361,112 0.721,113 13.877,114 5.58,115 56.531,116 6.034,117 0.26,118 0.723,119 15.865,120 6.074,121 29.936,122 6.997,123 26,124 38,125 0.319,126 0.702,127 0.841,128 0.885,129 0.894,130 0.894,131 3.266,132 0.981,133 -4.47,134 -4.4,135 -4.15,138 45,139 2,142 2,144 4,145 3,146 1,149 1,151 1,154 8,155 2,156 5,157 11,158 6,159 9,160 1,161 7,162 1,163 6,164 6.42}
{0 CHEMBL137895,1 1.383,2 78.552,3 30.547,4 2.098,5 -0.547,6 1.588,7 49.524,8 61.29,9 196.073,10 112.872,11 85.09,12 2.116,13 4.401,14 -0.536,15 1.163,16 2.047,17 2.025,18 1.235,19 1.04,20 0.483,21 1.687,22 11.857,23 3.718,24 13.826,25 107.964,26 8.7,27 0.516,28 3.924,29 4.013,30 3.666,31 3.561,32 5.119,33 3.532,34 4.417,35 4.545,36 4.054,37 3.928,38 5.654,39 3.887,40 4.62,41 4.781,42 4.091,43 4.013,44 5.805,45 3.965,46 4.679,47 4.844,48 4.054,49 3.961,50 5.922,51 3.907,52 4.602,53 4.777,54 3.808,55 3.818,56 5.896,57 3.742,58 4.457,59 4.645,60 3.654,61 3.704,62 5.644,63 3.617,64 4.341,65 4.521,66 3.699,67 3.601,68 5.723,69 3.547,70 4.32,71 4.52,72 3.521,73 3.592,74 5.462,75 3.51,76 0.055,77 0.624,78 7.025,79 4.03,80 7.296,81 4.422,82 0.315,83 1.029,84 15.321,85 6.826,86 29.849,87 7.829,88 0.332,89 1.243,90 18.875,91 8.175,92 37.717,93 9.225,94 0.448,95 1.282,96 25.665,97 9.416,98 49.723,99 9.684,100 0.624,101 1.146,102 22.016,103 8.22,104 8.78,105 0.31,106 1.016,107 21.932,108 8.107,109 45.938,110 8.747,111 0.399,112 0.899,113 16.283,114 6.395,115 63.081,116 7.304,117 0.244,118 0.884,119 16.479,120 6.517,121 34.52,122 7.613,123 17,124 44,125 0.286,126 0.682,127 0.835,128 0.886,129 0.894,130 0.894,131 3.374,132 0.931,133 -3.74,134 -3.7,135 -3.52,138 46.7,139 2,142 2,144 5,145 4,147 1,148 1,149 1,151 1,154 10,155 2,156 8,157 12,158 9,159 9,160 1,161 9,162 1,163 7,164 5.959}
{0 CHEMBL137896,1 1.38,2 79.683,3 28.844,4 2.098,5 -0.562,6 1.554,7 44.485,8 61.29,9 172.531,10 112.872,11 85.09,12 2.103,13 4.194,14 -0.523,15 1.192,16 1.86,17 1.825,18 1.045,19 0.98,20 0.481,21 1.757,22 10.917,23 2.81,24 7.896,25 91.514,26 8.754,27 0.423,28 3.777,29 3.869,30 3.525,31 3.382,32 4.99,33 3.356,34 4.264,35 4.398,36 3.898,37 3.72,38 5.533,39 3.682,40 4.442,41 4.611,42 3.894,43 3.764,44 5.656,45 3.72,46 4.479,47 4.649,48 3.862,49 3.681,50 5.759,51 3.64,52 4.365,53 4.529,54 3.64,55 3.531,56 5.769,57 3.478,58 4.217,59 4.387,60 3.476,61 3.478,62 5.453,63 3.402,64 4.136,65 4.311,66 3.496,67 3.397,68 5.513,69 3.341,70 4.131,71 4.346,72 3.298,73 3.362,74 5.286,75 3.267,76 0.071,77 0.564,78 6.177,79 3.553,80 7.198,81 3.836,82 0.33,83 0.903,84 13.876,85 5.867,86 29.307,87 6.693,88 0.366,89 1.042,90 16.571,91 6.7,92 38.166,93 7.437,94 0.475,95 1.028,96 22.898,97 7.606,98 49.587,99 7.582,100 0.669,101 0.884,102 18.083,103 6.219,104 6.397,105 0.307,106 0.797,107 17.723,108 6.281,109 42.42,110 6.437,111 0.339,112 0.729,113 13.136,114 5.072,115 53.896,116 5.677,117 0.303,118 0.735,119 14.396,120 5.301,121 31.5,122 6.364,123 17,124 36,125 0.311,126 0.716,127 0.86,128 0.891,129 0.891,130 0.891,131 3.228,132 0.947,133 -2.96,134 -2.97,135 -2.86,138 43.6,139 2,142 2,144 3,145 2,147 1,148 1,149 1,151 1,154 5,155 2,156 8,157 5,158 8,159 3,160 1,161 6,163 3,164 5.907}
{0 CHEMBL137965,1 1.388,2 74.63,3 26.824,4 2.088,5 -0.497,6 1.557,7 44.521,8 61.29,9 196.073,10 96.086,11 72.2,12 2.103,13 4.193,14 -0.502,15 1.145,16 1.92,17 1.894,18 1.105,19 1.036,20 0.485,21 1.677,22 10.917,23 3.532,24 12.476,25 94.043,26 8.511,27 0.423,28 3.791,29 3.882,30 3.517,31 3.42,32 4.979,33 3.382,34 4.281,35 4.413,36 3.891,37 3.768,38 5.52,39 3.714,40 4.476,41 4.645,42 3.892,43 3.819,44 5.656,45 3.757,46 4.524,47 4.703,48 3.862,49 3.727,50 5.769,51 3.668,52 4.394,53 4.565,54 3.631,55 3.562,56 5.75,57 3.501,58 4.246,59 4.416,60 3.477,61 3.506,62 5.483,63 3.425,64 4.158,65 4.334,66 3.488,67 3.444,68 5.503,69 3.371,70 4.161,71 4.373,72 3.287,73 3.421,74 5.261,75 3.31,76 0.046,77 0.542,78 6.777,79 3.758,80 6.673,81 4.197,82 0.293,83 0.885,84 14.578,85 6.302,86 27.985,87 7.367,88 0.296,89 1.053,90 17.705,91 7.419,92 34.622,93 8.543,94 0.422,95 1.072,96 24.603,97 8.328,98 48.23,99 8.701,100 0.584,101 0.909,102 19.316,103 6.608,104 6.966,105 0.285,106 0.815,107 18.481,108 6.527,109 43.792,110 6.712,111 0.302,112 0.732,113 13.921,114 5.466,115 53.026,116 6.288,117 0.186,118 0.739,119 14.85,120 5.878,121 26.669,122 7.16,123 17,124 36,125 0.295,126 0.667,127 0.805,128 0.847,129 0.859,130 0.859,131 3.228,132 0.963,133 -3.97,134 -3.92,135 -3.72,138 45,139 2,142 2,144 5,145 3,149 1,151 1,154 10,155 2,156 5,157 12,158 6,159 8,160 1,161 7,162 1,163 4,164 6.301}
{0 CHEMBL137986,1 1.335,2 104.391,3 41.519,4 2.194,5 -0.878,6 1.557,7 65.401,8 61.29,9 172.531,10 96.086,11 72.2,12 2.607,13 4.416,14 -0.636,15 1.203,16 1.907,17 1.89,18 1.092,19 1.035,20 0.486,21 1.944,22 11.077,23 4.402,24 19.378,25 99.064,26 9.822,27 0.393,28 3.81,29 3.888,30 3.639,31 3.445,32 5.069,33 3.422,34 4.304,35 4.42,36 4.055,37 3.804,38 5.642,39 3.772,40 4.513,41 4.656,42 4.135,43 3.877,44 5.854,45 3.845,46 4.569,47 4.717,48 4.122,49 3.784,50 6.017,51 3.759,52 4.424,53 4.575,54 3.758,55 3.601,56 5.844,57 3.555,58 4.276,59 4.424,60 3.768,61 3.532,62 5.814,63 3.481,64 4.183,65 4.342,66 3.623,67 3.478,68 5.583,69 3.422,70 4.199,71 4.384,72 3.58,73 3.481,74 5.454,75 3.405,76 0.144,77 0.603,78 4.358,79 3.6,80 13.72,81 3.569,82 0.419,83 0.972,84 12.043,85 6.275,86 37.99,87 6.602,88 0.565,89 1.179,90 16.312,91 7.613,92 60.347,93 7.449,94 0.82,95 1.174,96 26.348,97 8.881,98 89.961,99 7.529,100 0.837,101 0.974,102 19.433,103 6.984,104 6.021,105 0.649,106 0.881,107 18.373,108 6.711,109 91.919,110 6.33,111 0.478,112 0.787,113 13.096,114 5.619,115 73.627,116 5.632,117 0.41,118 0.822,119 15.404,120 6.129,121 48.211,122 6.526,123 37,124 40,125 0.342,126 0.734,127 0.864,128 0.894,129 0.894,130 0.894,131 3.304,132 0.958,133 -4.85,134 -4.76,135 -4.47,138 45,139 2,142 2,144 3,145 3,146 2,149 1,151 1,154 6,155 2,156 5,157 9,158 6,159 6,160 1,161 7,162 1,163 6,164 5.699}
{0 CHEMBL138234,1 2.917,2 73.684,3 28.064,4 2.089,5 -0.497,6 1.516,7 45.807,8 61.29,9 237.992,10 96.086,11 72.2,12 2.193,13 4.156,14 -0.503,15 0.706,16 1.752,17 1.728,18 1.043,19 0.934,20 0.533,21 1.943,22 10.917,23 4.054,24 16.431,25 100.282,26 11.496,27 0.385,28 3.733,29 3.802,30 3.748,31 3.448,32 4.927,33 3.377,34 4.224,35 4.331,36 4.342,37 3.84,38 5.488,39 3.734,40 4.374,41 4.513,42 4.116,43 3.806,44 5.595,45 3.714,46 4.414,47 4.561,48 4.006,49 3.7,50 5.719,51 3.634,52 4.319,53 4.46,54 3.867,55 3.562,56 5.718,57 3.488,58 4.164,59 4.309,60 3.687,61 3.52,62 5.411,63 3.41,64 4.07,65 4.216,66 3.911,67 3.471,68 5.466,69 3.364,70 4.06,71 4.239,72 3.611,73 3.44,74 5.164,75 3.29,76 0.091,77 0.487,78 1.292,79 3.236,80 7.106,81 3.261,82 0.346,83 0.824,84 18.126,85 6.728,86 28.42,87 6.358,88 0.39,89 0.961,90 17.852,91 7.67,92 35.38,93 6.954,94 0.503,95 0.985,96 22.826,97 8.463,98 47.398,99 6.803,100 0.664,101 0.87,102 16.886,103 7,104 5.415,105 0.343,106 0.757,107 19.814,108 7.011,109 42.1,110 5.896,111 0.373,112 0.673,113 11.748,114 5.719,115 51.362,116 5.334,117 0.249,118 0.703,119 20.812,120 6.787,121 21.159,122 6.577,123 26,124 37,125 0.348,126 0.743,127 0.867,128 0.887,129 0.887,130 0.887,131 3.228,132 1.102,133 -4.2,134 -4.14,135 -3.91,137 1,138 43.2,139 2,142 2,144 2,145 2,149 1,150 1,151 2,154 4,155 2,156 5,157 9,158 6,159 5,160 1,161 6,163 3,164 6.678}
{0 CHEMBL138320,1 2.96,2 75.506,3 29.259,4 2.094,5 0.327,6 1.586,7 52.93,8 61.29,9 239.122,10 96.086,11 72.2,12 2.29,13 4.414,14 -0.543,15 1.028,16 1.936,17 1.915,18 1.143,19 1.036,20 0.499,21 1.684,22 11.138,23 4.964,24 24.642,25 117.254,26 8.991,27 0.5,28 3.958,29 4.039,30 3.766,31 3.654,32 5.129,33 3.592,34 4.447,35 4.564,36 4.15,37 4.025,38 5.655,39 3.945,40 4.632,41 4.789,42 4.128,43 4.068,44 5.77,45 3.983,46 4.695,47 4.846,48 4.212,49 4.07,50 5.932,51 3.996,52 4.699,53 4.84,54 4.155,55 4.042,56 6.032,57 3.959,58 4.666,59 4.828,60 3.968,61 4.009,62 5.876,63 3.901,64 4.59,65 4.772,66 3.885,67 3.92,68 5.814,69 3.801,70 4.562,71 4.774,72 3.775,73 3.843,74 5.594,75 3.713,76 0.04,77 0.605,78 7.321,79 4.348,80 6.823,81 4.778,82 0.293,83 1.026,84 17.024,85 7.793,86 28.421,87 8.618,88 0.293,89 1.243,90 21.418,91 9.322,92 34.132,93 10.137,94 0.379,95 1.31,96 27.154,97 10.56,98 43.357,99 10.402,100 0.612,101 1.306,102 25.97,103 9.989,104 9.576,105 0.339,106 1.28,107 27.867,108 10.682,109 52.83,110 10.563,111 0.364,112 1.164,113 22.57,114 9.37,115 65.853,116 10.376,117 0.262,118 1.163,119 26.243,120 9.865,121 34.312,122 11.238,123 17,124 45,125 0.283,126 0.645,127 0.797,128 0.86,129 0.87,130 0.87,131 3.408,132 1.012,133 -4.73,134 -4.64,135 -4.36,138 46.8,139 2,142 1,143 1,144 7,145 3,149 2,150 1,151 1,154 11,155 2,156 5,157 16,158 6,159 13,160 1,161 7,162 1,163 10,164 6.523}
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