@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL5786

@attribute molecule_id {CHEMBL443353,CHEMBL444474,CHEMBL445489,CHEMBL449792,CHEMBL451209,CHEMBL456035,CHEMBL456044,CHEMBL456045,CHEMBL456278,CHEMBL456469,CHEMBL456470,CHEMBL456723,CHEMBL457317,CHEMBL457318,CHEMBL457319,CHEMBL457571,CHEMBL457795,CHEMBL457796,CHEMBL458237,CHEMBL458238,CHEMBL458447,CHEMBL458450,CHEMBL458451,CHEMBL459959,CHEMBL459960,CHEMBL459961,CHEMBL461021,CHEMBL461022,CHEMBL463320,CHEMBL463520,CHEMBL467562,CHEMBL467755,CHEMBL498798,CHEMBL499305,CHEMBL499610,CHEMBL499611,CHEMBL499612,CHEMBL500408,CHEMBL500409,CHEMBL502817,CHEMBL505067,CHEMBL507175,CHEMBL511184,CHEMBL511339,CHEMBL511344,CHEMBL511849,CHEMBL512545,CHEMBL512941,CHEMBL513087,CHEMBL513671,CHEMBL514268,CHEMBL515834,CHEMBL516325,CHEMBL525948,CHEMBL525967,CHEMBL526298,CHEMBL526896}
@attribute Eig06_AEA.dm. numeric
@attribute Eig04_EA.ed. numeric
@attribute SM13_AEA.dm. numeric
@attribute Eig04_AEA.ed. numeric
@attribute GATS2e numeric
@attribute Eig14_AEA.dm. numeric
@attribute Chi1_EA.dm. numeric
@attribute GATS1i numeric
@attribute SsssN numeric
@attribute Eig04_EA.ri. numeric
@attribute Eig04_AEA.ri. numeric
@attribute Eig04_EA numeric
@attribute SM12_AEA.bo. numeric
@attribute Eig07_AEA.bo. numeric
@attribute ATSC2p numeric
@attribute X1v numeric
@attribute GGI7 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 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 BID numeric
@attribute BLI numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute Br.094 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.004 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.008 numeric
@attribute C.009 numeric
@attribute C.011 numeric
@attribute C.013 numeric
@attribute C.014 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.040 numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AN numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_DN numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_NL numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_DD numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_NL numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_NL numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_DL numeric
@attribute pXC50 numeric

@data
{1 2.692,2 6.694,3 6.694,4 5.339,5 0.482,6 0.35,7 10.744,8 1.215,9 1.594,10 2.042,11 3.168,12 2.248,13 2.248,14 2.5,15 9.628,16 10.037,17 0.2,18 1.576,19 10.417,20 3.665,21 13.429,22 100.842,23 7.502,24 0.24,25 3.944,26 4.054,27 3.549,28 3.548,29 4.979,30 3.451,31 4.514,32 4.683,33 3.891,34 3.948,35 5.548,36 3.808,37 4.825,38 5.047,39 4.007,40 4.105,41 5.781,42 3.929,43 4.873,44 5.084,45 4.039,46 4.063,47 5.969,48 3.911,49 4.83,50 5.04,51 4.014,52 4.066,53 5.994,54 3.888,55 4.89,56 5.141,57 3.928,58 4.104,59 5.768,60 3.84,61 4.809,62 5.07,63 3.628,64 3.85,65 5.838,66 3.632,67 4.545,68 4.816,69 3.32,70 3.649,71 5.443,72 3.464,73 0.032,74 0.669,75 12.12,76 5.516,77 9.334,78 6.76,79 0.257,80 1.151,81 25.788,82 44.592,83 11.917,84 0.347,85 1.456,86 36.327,87 12.94,88 48.153,89 15.657,90 0.472,91 1.468,92 42.697,93 13.059,94 78.94,95 14.956,96 0.587,97 1.377,98 35.829,99 12.6,100 117.092,101 15.062,102 0.296,103 1.516,104 47.543,105 15.854,106 54.325,107 17.738,108 0.509,109 1.265,110 40.733,111 12.526,112 99.562,113 14.518,114 0.29,115 0.997,116 27.397,117 9.157,118 52.394,119 11.513,120 32,121 33,122 0.273,123 0.593,124 0.8,125 0.874,126 0.884,127 0.884,128 3.228,129 1.204,130 -3.99,131 -3.95,132 -3.74,134 36.7,135 1,136 4,137 1,140 2,141 1,142 1,146 5,147 1,149 2,151 10,152 1,153 5,154 1,155 1,158 11,159 1,160 1,161 3,163 1,164 9,165 1,166 5,167 1,168 8,169 2,170 3,171 2,172 5.959}
{0 CHEMBL444474,1 2.715,2 5.693,3 5.693,4 4.889,5 0.494,6 -0.511,7 10.448,8 1.109,10 1.775,11 2.992,12 2.107,13 2.107,14 2.495,15 7.736,16 8.564,17 0.215,18 1.821,19 10.143,20 2.944,21 8.665,22 89.006,23 8.921,24 0.286,25 3.72,26 3.815,27 3.465,28 3.351,29 4.878,30 3.257,31 4.227,32 4.369,33 3.771,34 3.712,35 5.446,36 3.571,37 4.507,38 4.689,39 3.92,40 3.83,41 5.686,42 3.67,43 4.582,44 4.792,45 3.854,46 3.745,47 5.781,48 3.567,49 4.361,50 4.572,51 3.67,52 3.599,53 5.653,54 3.442,55 4.371,56 4.561,57 3.751,58 3.636,59 5.541,60 3.464,61 4.409,62 4.617,63 3.688,64 3.546,65 5.707,66 3.376,67 4.143,68 4.349,69 3.269,70 3.298,71 5.388,72 3.176,73 0.076,74 0.517,75 8,76 4.183,77 14.677,78 4.729,79 0.267,80 0.837,81 19.834,82 49.979,83 8.561,84 0.422,85 1.028,86 26.102,87 9.253,88 63.149,89 10.474,90 0.619,91 1.07,92 37.63,93 10.633,94 99.571,95 10.657,96 0.484,97 0.864,98 25.087,99 8.458,100 97.69,101 9.383,102 0.355,103 0.839,104 27.307,105 8.645,106 63.061,107 9.197,108 0.513,109 0.883,110 33.892,111 9.565,112 91.042,113 8.945,114 0.317,115 0.633,116 19.742,117 6.169,118 50.598,119 6.891,120 48,121 27,122 0.334,123 0.695,124 0.842,125 0.88,126 0.88,127 0.88,128 3.101,129 1.223,130 -3.92,131 -3.88,132 -3.68,134 35.9,135 1,137 1,140 3,141 1,146 4,147 1,148 1,149 2,151 5,153 1,155 2,156 1,157 1,158 7,161 1,162 1,163 2,164 6,165 1,166 1,167 1,168 3,169 1,170 2,171 2,172 5.77}
{0 CHEMBL445489,1 2.75,2 5.806,3 5.806,4 4.966,5 0.629,6 -0.065,7 19.348,8 1.338,9 2.026,10 2.247,11 3.245,12 2.226,13 2.226,14 2.483,15 8.417,16 9.195,17 0.309,18 1.665,19 11.565,20 2.3,21 5.291,22 98.81,23 7.586,24 0.261,25 3.895,26 4.013,27 3.498,28 3.449,29 4.988,30 3.358,31 4.421,32 4.608,33 3.753,34 3.798,35 5.532,36 3.663,37 4.656,38 4.861,39 3.86,40 3.935,41 5.721,42 3.779,43 4.765,44 5.001,45 3.855,46 3.933,47 5.796,48 3.748,49 4.656,50 4.895,51 3.781,52 3.79,53 5.889,54 3.622,55 4.549,56 4.791,57 3.534,58 3.673,59 5.554,60 3.511,61 4.443,62 4.652,63 3.654,64 3.682,65 5.564,66 3.513,67 4.497,68 4.728,69 3.684,70 3.626,71 5.708,72 3.433,73 0.037,74 0.663,75 11.668,76 4.997,77 10.864,78 6.143,79 0.294,80 1.042,81 24.741,82 46.851,83 10.287,84 0.361,85 1.225,86 29.281,87 10.023,88 55.258,89 12.577,90 0.405,91 1.263,92 37.131,93 11.71,94 65.195,95 13.941,96 0.51,97 1.114,98 32.166,99 9.939,100 104.386,101 12.441,102 0.344,103 0.983,104 27.678,105 8.668,106 60.89,107 10.81,108 0.215,109 0.941,110 25.09,111 8.669,112 46.817,113 10.095,114 0.392,115 0.95,116 37.304,117 9.95,118 71.423,119 10.32,120 54,121 29,122 0.292,123 0.633,124 0.812,125 0.842,126 0.842,127 0.842,128 3.186,129 1.199,130 -3.39,131 -3.37,132 -3.22,134 34,136 2,139 2,140 3,141 1,146 4,147 1,148 1,149 2,151 5,153 3,155 2,156 1,157 1,158 5,161 3,162 1,163 2,164 4,165 1,166 2,167 1,168 2,169 1,170 2,171 2,172 5}
{0 CHEMBL449792,1 2.931,2 6.948,3 6.948,4 5.475,5 0.472,6 0.353,7 14.327,8 1.227,9 1.58,10 2.325,11 3.364,12 2.397,13 2.397,14 2.5,15 10.207,16 10.391,17 0.372,18 1.55,19 10.36,20 4.081,21 16.657,22 105.677,23 7.339,24 0.231,25 3.998,26 4.111,27 3.582,28 3.597,29 5.026,30 3.498,31 4.573,32 4.751,33 3.949,34 4.008,35 5.591,36 3.873,37 4.872,38 5.082,39 4.109,40 4.197,41 5.853,42 4.03,43 4.988,44 5.207,45 4.131,46 4.189,47 6.065,48 4.022,49 4.92,50 5.143,51 4.033,52 4.133,53 6.054,54 3.95,55 4.885,56 5.129,57 3.965,58 4.121,59 5.798,60 3.893,61 4.828,62 5.068,63 3.779,64 3.96,65 5.911,66 3.76,67 4.652,68 4.928,69 3.467,70 3.775,71 5.595,72 3.567,73 0.039,74 0.708,75 13.053,76 5.871,77 9.969,78 7.288,79 0.277,80 1.216,81 27.472,82 45.816,83 12.801,84 0.334,85 1.543,86 36.073,87 13.451,88 46.395,89 16.602,90 0.488,91 1.647,92 47.064,93 14.781,94 82.254,95 17.324,96 0.604,97 1.495,98 40.235,99 13.94,100 119.431,101 16.868,102 0.281,103 1.506,104 44.412,105 15.076,106 50.153,107 17.366,108 0.459,109 1.327,110 39.631,111 12.751,112 89.84,113 14.975,114 0.25,115 1.119,116 33.988,117 11.32,118 50.399,119 13.583,120 61,121 36,122 0.265,123 0.576,124 0.765,125 0.807,126 0.847,127 0.847,128 3.267,129 1.199,130 -4.23,131 -4.17,132 -3.94,134 36.5,135 3,136 2,137 2,140 2,141 1,142 1,146 4,147 2,149 2,151 11,152 1,153 5,154 1,155 1,158 13,159 1,160 1,161 3,163 1,164 12,165 1,166 5,167 1,168 11,169 2,170 4,171 2,172 7.284}
{0 CHEMBL451209,1 2.182,2 3.436,3 3.436,4 4.041,5 0.474,6 -0.791,7 9.807,8 1.114,10 1.496,11 2.535,12 1.597,13 1.597,14 2.481,15 7.669,16 8.087,17 0.191,18 1.676,19 9.4,20 2.279,21 5.195,22 84.201,23 8.038,24 0.3,25 3.713,26 3.816,27 3.371,28 3.321,29 4.851,30 3.224,31 4.217,32 4.37,33 3.629,34 3.669,35 5.4,36 3.523,37 4.493,38 4.692,39 3.788,40 3.777,41 5.625,42 3.615,43 4.573,44 4.793,45 3.781,46 3.708,47 5.746,48 3.53,49 4.357,50 4.572,51 3.594,52 3.575,53 5.641,54 3.416,55 4.359,56 4.563,57 3.539,58 3.579,59 5.496,60 3.419,61 4.405,62 4.617,63 3.613,64 3.521,65 5.696,66 3.348,67 4.128,68 4.352,69 3.133,70 3.241,71 5.348,72 3.122,73 0.047,74 0.528,75 9.231,76 4.316,77 12.426,78 5.008,79 0.232,80 0.852,81 20.227,82 47.351,83 8.747,84 0.33,85 1.048,86 24.785,87 8.906,88 55.54,89 10.542,90 0.517,91 1.077,92 35.127,93 9.964,94 88.509,95 10.606,96 0.435,97 0.866,98 24.733,99 8.175,100 92.22,101 9.349,102 0.243,103 0.857,104 22.79,105 8.143,106 54.201,107 9.166,108 0.441,109 0.882,110 32.917,111 9.068,112 85.576,113 8.909,114 0.227,115 0.645,116 17.166,117 5.753,118 45.248,119 6.818,120 37,121 25,122 0.307,123 0.662,124 0.813,125 0.867,126 0.88,127 0.88,128 3.055,129 1.213,130 -3.4,131 -3.38,132 -3.23,134 35.9,135 1,137 1,140 3,141 1,146 5,147 1,149 2,151 7,153 1,155 2,156 1,157 1,158 7,161 1,162 1,163 2,164 5,165 1,166 1,167 1,168 2,169 1,170 2,171 2,172 5}
{0 CHEMBL456035,1 2.747,2 5.594,3 5.594,4 4.918,5 0.647,6 -0.321,7 18.153,8 1.321,9 2.018,10 2.174,11 3.189,12 2.181,13 2.181,14 2.463,15 7.289,16 8.195,17 0.247,18 1.736,19 10.286,20 1.944,21 3.78,22 89.506,23 8.012,24 0.286,25 3.77,26 3.882,27 3.424,28 3.33,29 4.913,30 3.245,31 4.275,32 4.451,33 3.688,34 3.67,35 5.457,36 3.547,37 4.484,38 4.663,39 3.849,40 3.796,41 5.672,42 3.666,43 4.619,44 4.847,45 3.759,46 3.819,47 5.658,48 3.632,49 4.517,50 4.754,51 3.663,52 3.704,53 5.734,54 3.506,55 4.396,56 4.63,57 3.635,58 3.541,59 5.542,60 3.356,61 4.155,62 4.364,63 3.348,64 3.393,65 5.293,66 3.243,67 4.201,68 4.441,69 3.21,70 3.329,71 5.344,72 3.164,73 0.057,74 0.586,75 9.75,76 4.317,77 11.998,78 5.091,79 0.311,80 0.916,81 21.808,82 46.039,83 8.505,84 0.39,85 1.06,86 23.541,87 8.005,88 58.717,89 9.901,90 0.403,91 1.108,92 32.046,93 10.465,94 61.637,95 12.15,96 0.448,97 0.993,98 28.843,99 9.691,100 89.599,101 11.482,102 0.404,103 0.867,104 30.697,105 8.507,106 73.128,107 9.266,108 0.192,109 0.711,110 17.671,111 6.261,112 36.421,113 7.411,114 0.271,115 0.716,116 24.629,117 7.031,118 40.64,119 7.78,120 52,121 27,122 0.314,123 0.66,124 0.795,125 0.831,126 0.831,127 0.831,128 3.101,129 1.171,130 -2.88,131 -2.89,132 -2.79,134 34.1,139 2,140 3,141 1,146 4,147 1,148 1,149 2,151 4,153 2,155 2,157 1,158 5,161 2,162 1,163 1,164 4,165 1,166 2,167 1,168 2,170 1,171 1,172 6.328}
{0 CHEMBL456044,1 3.041,2 7.414,3 7.414,4 5.727,5 0.452,6 1,7 15.803,8 1.07,10 2.497,11 3.521,12 2.523,13 2.523,14 2.868,15 13.035,16 13.078,17 0.595,18 1.477,19 12.125,20 6.083,21 36.999,22 134.676,23 7.258,24 0.353,25 4.222,26 4.335,27 3.791,28 3.85,29 5.24,30 3.757,31 4.785,32 4.95,33 4.123,34 4.271,35 5.791,36 4.131,37 5.129,38 5.352,39 4.303,40 4.455,41 6.057,42 4.281,43 5.204,44 5.436,45 4.322,46 4.46,47 6.182,48 4.273,49 5.113,50 5.341,51 4.227,52 4.421,53 6.148,54 4.25,55 5.137,56 5.364,57 4.209,58 4.418,59 6.096,60 4.252,61 5.163,62 5.393,63 4.295,64 4.369,65 6.265,66 4.205,67 5.015,68 5.226,69 4.125,70 4.261,71 6.139,72 4.133,73 0.061,74 0.859,75 15.754,76 7.185,77 11.492,78 9.09,79 0.272,80 1.475,81 31.425,82 49.168,83 16.358,84 0.393,85 1.983,86 44.954,87 17.372,88 59.023,89 22.152,90 0.54,91 2.109,92 56.854,93 19.305,94 86.606,95 23.123,96 0.499,97 1.919,98 46.428,99 17.671,100 101.263,101 22.219,102 0.264,103 1.943,104 44.028,105 17.467,106 54.872,107 22.259,108 0.491,109 1.978,110 55.484,111 18.311,112 98.93,113 21.345,114 0.369,115 1.687,116 41.555,117 14.954,118 78.399,119 18.124,120 36,121 45,122 0.237,123 0.543,124 0.706,125 0.803,126 0.851,127 0.851,128 3.502,129 1.154,130 -5.49,131 -5.37,132 -5.01,134 40,135 1,136 5,137 2,140 2,141 2,146 9,147 3,149 2,151 20,153 1,155 2,156 1,157 1,158 25,161 1,162 1,163 2,164 25,165 1,166 1,167 1,168 22,169 1,170 2,171 3,172 6.678}
{0 CHEMBL456045,1 3.047,2 7.414,3 7.414,4 5.728,5 0.428,6 0.535,7 14.186,8 1.174,10 2.497,11 3.52,12 2.523,13 2.523,14 2.658,15 12.541,16 11.745,17 0.481,18 1.483,19 12.25,20 5.053,21 25.533,22 119.449,23 6.946,24 0.207,25 4.145,26 4.267,27 3.671,28 3.738,29 5.131,30 3.633,31 4.731,32 4.916,33 4.056,34 4.178,35 5.704,36 4.024,37 5.078,38 5.298,39 4.182,40 4.382,41 6.007,42 4.193,43 5.185,44 5.428,45 4.162,46 4.368,47 6.152,48 4.171,49 5.125,50 5.395,51 4.019,52 4.284,53 6.092,54 4.083,55 5.041,56 5.298,57 4.016,58 4.206,59 5.993,60 4.026,61 5.01,62 5.232,63 4.075,64 4.143,65 6.175,66 3.964,67 4.856,68 5.08,69 3.798,70 4.066,71 5.879,72 3.886,73 0.062,74 0.824,75 15.779,76 6.954,77 11.224,78 8.871,79 0.282,80 1.402,81 31.3,82 49.244,83 15.803,84 0.405,85 1.88,86 47.242,87 17.018,88 55.383,89 21.283,90 0.53,91 1.96,92 53.369,93 17.625,94 86.514,95 22.258,96 0.523,97 1.805,98 45.973,99 16.654,100 106.65,101 21.763,102 0.291,103 1.675,104 41.138,105 14.856,106 54.988,107 19.232,108 0.608,109 1.563,110 50.646,111 15.137,112 117.298,113 17.083,114 0.35,115 1.393,116 36.868,117 12.954,118 70.266,119 15.917,120 61,121 40,122 0.244,123 0.538,124 0.717,125 0.8,126 0.826,127 0.826,128 3.374,129 1.215,130 -4.9,131 -4.8,132 -4.51,134 36.1,135 3,136 5,137 2,140 2,141 1,143 1,146 4,147 2,149 2,151 14,153 1,155 2,156 1,157 1,158 22,161 1,162 1,163 2,164 20,165 1,166 1,167 1,168 16,169 1,170 2,171 4,172 7.26}
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{0 CHEMBL526896,1 2.775,2 6.75,3 6.75,4 5.462,5 0.481,6 0.755,7 11.385,8 1.101,9 1.582,10 2.107,11 3.201,12 2.272,13 2.272,14 2.771,15 9.519,16 10.448,17 0.351,18 1.589,19 9.615,20 3.796,21 14.406,22 107.937,23 7.951,24 0.393,25 3.965,26 4.064,27 3.627,28 3.61,29 5.043,30 3.527,31 4.519,32 4.666,33 4,34 4.026,35 5.603,36 3.91,37 4.824,38 5.017,39 4.161,40 4.205,41 5.84,42 4.059,43 4.907,44 5.095,45 4.207,46 4.197,47 6.04,48 4.054,49 4.871,50 5.062,51 4.139,52 4.175,53 6.054,54 3.999,55 4.889,56 5.121,57 4.013,58 4.157,59 5.815,60 3.929,61 4.824,62 5.058,63 3.812,64 3.973,65 5.917,66 3.818,67 4.653,68 4.898,69 3.658,70 3.874,71 5.664,72 3.736,73 0.026,74 0.653,75 11.048,76 5.316,77 10.688,78 6.353,79 0.24,80 1.154,81 24.12,82 44.624,83 11.429,84 0.311,85 1.497,86 32.78,87 12.789,88 47.744,89 15.237,90 0.449,91 1.601,92 42.147,93 14.099,94 82.113,95 15.327,96 0.566,97 1.495,98 37.575,99 13.925,100 120.614,101 15.779,102 0.278,103 1.587,104 47.319,105 16.171,106 56.836,107 17.804,108 0.471,109 1.389,110 38.567,111 12.764,112 94.78,113 14.663,114 0.203,115 1.179,116 27.819,117 10.483,118 43.777,119 13.267,120 32,121 39,122 0.271,123 0.614,124 0.797,125 0.865,126 0.898,127 0.912,128 3.304,129 1.119,130 -4.29,131 -4.23,132 -3.99,134 40.8,135 1,136 2,137 1,140 2,141 1,142 1,146 7,147 3,149 2,151 13,152 1,153 5,154 1,155 1,158 16,159 1,160 1,161 3,163 1,164 15,165 1,166 5,167 1,168 13,169 2,170 4,171 2,172 5.036}