@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2340

@attribute molecule_id {CHEMBL22509,CHEMBL25269,CHEMBL277195,CHEMBL277199,CHEMBL279255,CHEMBL280917,CHEMBL281333,CHEMBL281562,CHEMBL281785,CHEMBL282663,CHEMBL283758,CHEMBL479579}
@attribute MATS5v numeric
@attribute SpMAD_EA.bo. numeric
@attribute MATS4e 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 BID numeric
@attribute BLI numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.007 numeric
@attribute C.008 numeric
@attribute C.009 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.033 numeric
@attribute C.034 numeric
@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_DN numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DD numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_DN numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_NL numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_AN numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DD numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_NL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_AN numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DD numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_DN numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_NL numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_AN numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DD numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_DN numeric
@attribute pXC50 numeric

@data
{1 -0.012,2 1.874,3 -0.164,4 1.755,5 10.222,6 1.549,7 2.398,8 98.541,9 7.792,10 0.357,11 4.016,12 4.134,13 3.744,14 3.517,15 5.158,16 3.475,17 4.556,18 4.711,19 3.978,20 3.891,21 6.049,22 3.821,23 4.863,24 5.084,25 3.963,26 4.024,27 5.987,28 3.918,29 4.914,30 5.135,31 4.045,32 4.032,33 6.056,34 3.94,35 4.945,36 5.154,37 4.128,38 4,39 6.469,40 3.923,41 4.941,42 5.153,43 4.072,44 3.995,45 6.246,46 3.906,47 4.927,48 5.132,49 4.051,50 3.946,51 6.258,52 3.87,53 4.873,54 5.068,55 3.915,56 3.823,57 6.488,58 3.749,59 0.276,60 0.735,61 14.162,62 4.949,63 41.187,64 5.823,65 0.755,66 1.126,67 22.393,68 8.509,69 123.692,70 10.55,71 0.803,72 1.339,73 31.917,74 10.511,75 123.738,76 13.638,77 0.807,78 1.366,79 36.073,80 10.703,81 134.346,82 13.697,83 1.297,84 1.334,85 37.259,86 11.004,87 233.679,88 13.655,89 1.071,90 1.304,91 38.072,92 11.017,93 160.619,94 12.908,95 1.09,96 1.219,97 40.963,98 11.415,99 178.411,100 12.595,101 1.488,102 1.085,103 34.772,104 9.775,105 273.174,106 11.616,107 69,108 39,109 0.297,110 0.668,111 0.833,112 0.898,113 0.905,114 0.905,115 3.34,116 1.097,117 -2.62,118 -2.64,119 -2.57,120 33.3,121 1,122 4,125 2,127 4,128 2,130 1,131 1,132 2,133 4,134 9,137 5,138 3,139 5,140 1,141 8,142 1,143 2,145 2,146 2,147 7,148 6,149 2,151 4,152 2,155 7,156 1,157 3,158 2,159 2,160 4,162 4,163 3,164 7,165 2,166 5.824}
{0 CHEMBL25269,1 -0.043,2 1.953,3 -0.13,4 1.595,5 13.85,6 4.27,7 18.234,8 152.945,9 7.443,10 0.488,11 4.404,12 4.521,13 4.061,14 3.982,15 5.499,16 3.922,17 4.951,18 5.106,19 4.368,20 4.387,21 6.244,22 4.304,23 5.294,24 5.503,25 4.42,26 4.557,27 6.385,28 4.439,29 5.415,30 5.647,31 4.421,32 4.592,33 6.439,34 4.46,35 5.431,36 5.656,37 4.551,38 4.588,39 6.612,40 4.471,41 5.493,42 5.714,43 4.635,44 4.619,45 6.807,46 4.498,47 5.507,48 5.723,49 4.63,50 4.662,51 6.723,52 4.538,53 5.564,54 5.776,55 4.593,56 4.638,57 6.807,58 4.537,59 0.187,60 1.072,61 19.465,62 8.107,63 36.436,64 9.4,65 0.602,66 1.75,67 32.782,68 13.408,69 127.85,70 16.822,71 0.806,72 2.268,73 48.294,74 18.075,75 120.058,76 22.945,77 0.749,78 2.448,79 56.953,80 19.983,81 149.357,82 25.043,83 0.888,84 2.483,85 58.722,86 19.982,87 181.888,88 24.974,89 1.442,90 2.553,91 64.324,92 21.347,93 250.411,94 25.341,95 0.931,96 2.587,97 69.145,98 23.808,99 193.44,100 26.193,101 1.152,102 2.605,103 70.464,104 23.135,105 229.03,106 26.566,107 75,108 61,109 0.244,110 0.585,111 0.761,112 0.844,113 0.884,114 0.897,115 3.718,116 1.051,117 -3.79,118 -3.75,119 -3.57,120 39.5,121 2,122 4,123 1,125 2,126 1,127 11,128 5,130 1,131 1,132 2,133 3,134 22,137 4,138 1,139 6,140 2,141 26,142 2,143 3,145 3,146 4,147 10,148 22,149 2,151 4,152 1,155 9,157 16,158 3,159 1,160 7,161 1,162 1,163 1,164 12,165 3,166 6.585}
{0 CHEMBL277195,1 -0.015,2 1.876,3 -0.123,4 1.604,5 13.676,6 3.818,7 14.576,8 141.096,9 7.255,10 0.41,11 4.354,12 4.477,13 3.99,14 3.905,15 5.435,16 3.839,17 4.907,18 5.072,19 4.275,20 4.298,21 6.197,22 4.206,23 5.251,24 5.473,25 4.304,26 4.454,27 6.329,28 4.323,29 5.364,30 5.611,31 4.31,32 4.479,33 6.372,34 4.338,35 5.362,36 5.593,37 4.458,38 4.479,39 6.551,40 4.365,41 5.439,42 5.659,43 4.533,44 4.523,45 6.769,46 4.41,47 5.445,48 5.671,49 4.513,50 4.578,51 6.631,52 4.444,53 5.511,54 5.731,55 4.476,56 4.547,57 6.733,58 4.436,59 0.188,60 1.03,61 19.56,62 7.781,63 36.213,64 9.262,65 0.607,66 1.655,67 32.748,68 12.72,69 128.455,70 16.343,71 0.819,72 2.091,73 47.765,74 16.883,75 121.426,76 21.956,77 0.774,78 2.21,79 55.636,80 18.232,81 150.933,82 23.471,83 0.921,84 2.225,85 57.293,86 18.007,87 183.297,88 22.808,89 1.528,90 2.288,91 60.926,92 18.952,93 263.243,94 23.31,95 0.874,96 2.353,97 65.48,98 21.829,99 180.445,100 25.075,101 1.194,102 2.351,103 67.44,104 20.91,105 231.052,106 25.019,107 75,108 54,109 0.25,110 0.591,111 0.773,112 0.859,113 0.879,114 0.879,115 3.642,116 1.089,117 -3.35,118 -3.33,119 -3.19,120 37,121 2,122 5,123 1,125 2,126 1,127 9,128 3,130 1,131 1,132 2,133 3,134 18,137 4,138 1,139 6,140 2,141 19,142 2,143 3,145 3,146 4,147 10,148 13,149 2,151 4,152 1,155 9,157 9,158 3,159 1,160 7,161 1,162 1,163 1,164 11,165 3,166 5.149}
{0 CHEMBL277199,1 0.011,2 1.896,3 -0.132,4 1.623,5 13.028,6 3.362,7 11.301,8 136.495,9 7.366,10 0.421,11 4.316,12 4.437,13 3.968,14 3.869,15 5.412,16 3.806,17 4.864,18 5.025,19 4.256,20 4.261,21 6.178,22 4.174,23 5.207,24 5.423,25 4.285,26 4.417,27 6.306,28 4.291,29 5.324,30 5.567,31 4.292,32 4.443,33 6.351,34 4.307,35 5.321,36 5.548,37 4.468,38 4.447,39 6.538,40 4.339,41 5.392,42 5.605,43 4.558,44 4.502,45 6.764,46 4.397,47 5.426,48 5.64,49 4.486,50 4.543,51 6.663,52 4.427,53 5.469,54 5.691,55 4.406,56 4.497,57 6.683,58 4.392,59 0.198,60 0.991,61 18.604,62 7.447,63 36.871,64 8.724,65 0.614,66 1.591,67 31.093,68 12.143,69 128.034,70 15.424,71 0.827,72 2.012,73 45.49,74 16.132,75 121.498,76 20.733,77 0.8,78 2.132,79 53.576,80 17.527,81 153.955,82 22.291,83 0.923,84 2.144,85 54.018,86 17.152,87 182.401,88 21.618,89 1.459,90 2.231,91 59.275,92 18.623,93 247.73,94 22.101,95 1.014,96 2.276,97 63.877,98 20.912,99 200,100 23.643,101 1.168,102 2.249,103 63.335,104 19.913,105 224.046,106 24.27,107 75,108 53,109 0.255,110 0.602,111 0.778,112 0.856,113 0.877,114 0.877,115 3.616,116 1.078,117 -3.15,118 -3.14,119 -3.02,120 37.1,121 2,122 4,123 1,125 2,126 1,127 9,128 3,130 1,131 1,132 2,133 3,134 17,137 4,138 1,139 6,140 2,141 18,142 2,143 3,145 3,146 4,147 10,148 12,149 2,151 4,152 1,155 9,157 7,158 3,159 1,160 7,161 1,162 1,163 1,164 12,165 3,166 5.959}
{0 CHEMBL279255,1 -0.024,2 1.84,3 -0.14,4 1.652,5 11.065,6 2.33,7 5.427,8 116.4,9 7.199,10 0.313,11 4.205,12 4.333,13 3.844,14 3.716,15 5.288,16 3.649,17 4.767,18 4.943,19 4.127,20 4.105,21 6.093,22 4.013,23 5.106,24 5.332,25 4.167,26 4.266,27 6.219,28 4.14,29 5.222,30 5.468,31 4.203,32 4.309,33 6.274,34 4.181,35 5.22,36 5.444,37 4.337,38 4.305,39 6.486,40 4.21,41 5.307,42 5.523,43 4.341,44 4.326,45 6.69,46 4.23,47 5.282,48 5.517,49 4.238,50 4.352,51 6.45,52 4.219,53 5.313,54 5.548,55 4.165,56 4.286,57 6.495,58 4.164,59 0.211,60 0.887,61 17.814,62 6.614,63 37.112,64 7.994,65 0.639,66 1.397,67 29.771,68 10.634,69 129.915,70 13.972,71 0.863,72 1.714,73 42.536,74 13.843,75 122.981,76 18.303,77 0.843,78 1.808,79 49.35,80 14.836,81 154.637,82 19.437,83 0.984,84 1.818,85 51.147,86 14.523,87 181.639,88 18.88,89 1.62,90 1.832,91 53.508,92 15.02,93 270.789,94 19.418,95 0.919,96 1.834,97 54.862,98 17.076,99 173.403,100 20.994,101 1.158,102 1.757,103 55.065,104 15.82,105 209.786,106 20.396,107 109,108 45,109 0.268,110 0.617,111 0.804,112 0.875,113 0.881,114 0.881,115 3.472,116 1.134,117 -2.32,118 -2.35,119 -2.32,120 33.3,121 3,122 4,123 1,125 2,126 1,127 4,128 2,130 1,131 1,132 2,133 3,134 11,137 4,138 1,139 6,140 2,141 10,142 2,143 3,145 3,146 4,147 10,148 5,149 2,151 4,152 1,155 9,157 4,158 3,159 1,160 7,161 1,162 1,163 1,164 10,165 3,166 4.824}
{0 CHEMBL280917,1 -0.061,2 1.889,3 -0.098,4 1.684,5 9.714,6 1.959,7 3.838,8 103.852,9 7.706,10 0.379,11 4.042,12 4.155,13 3.762,14 3.582,15 5.185,16 3.529,17 4.58,18 4.731,19 4.006,20 3.958,21 6.063,22 3.882,23 4.905,24 5.11,25 4.021,26 4.135,27 6.032,28 4.022,29 5.011,30 5.242,31 4.111,32 4.15,33 6.112,34 4.043,35 5.011,36 5.211,37 4.223,38 4.133,39 6.521,40 4.043,41 5.038,42 5.252,43 4.117,44 4.109,45 6.345,46 4.008,47 5.018,48 5.218,49 4.067,50 4.01,51 6.348,52 3.946,53 4.904,54 5.112,55 3.975,56 3.899,57 6.495,58 3.813,59 0.238,60 0.742,61 14.512,62 5.473,63 38.659,64 6.27,65 0.729,66 1.157,67 22.92,68 9.261,69 123.984,70 11.244,71 0.707,72 1.467,73 32.174,74 11.799,75 115.142,76 14.863,77 0.732,78 1.545,79 39.776,80 12.846,81 139.724,82 16.251,83 1.202,84 1.531,85 38.297,86 12.433,87 223.196,88 15.115,89 0.989,90 1.509,91 44.47,92 13.518,93 162.02,94 14.892,95 1.112,96 1.349,97 41.886,98 12.098,99 205.881,100 13.563,101 1.253,102 1.207,103 35.36,104 10.977,105 237.353,106 13.261,107 83,108 41,109 0.282,110 0.631,111 0.781,112 0.837,113 0.867,114 0.879,115 3.375,116 1.087,117 -3.75,118 -3.71,119 -3.53,120 35.8,121 2,122 2,123 1,125 2,127 7,128 3,132 2,133 4,134 15,137 5,138 3,139 2,140 1,141 19,142 1,143 2,145 2,146 2,147 4,148 15,149 2,151 4,152 2,155 8,156 1,157 9,158 3,159 2,160 6,162 4,163 2,164 10,165 1,166 5.131}
{0 CHEMBL281333,1 -0.007,2 1.881,3 -0.099,4 1.726,5 10.357,6 1.042,7 1.086,8 102.488,9 7.619,10 0.345,11 4.067,12 4.188,13 3.766,14 3.579,15 5.198,16 3.522,17 4.612,18 4.773,19 4.017,20 3.948,21 6.033,22 3.881,23 4.938,24 5.149,25 3.985,26 4.077,27 6.117,28 3.977,29 5.017,30 5.268,31 3.992,32 4.097,33 6.059,34 3.981,35 4.977,36 5.199,37 4.153,38 4.068,39 6.275,40 3.988,41 5.045,42 5.252,43 4.184,44 4.088,45 6.505,46 4,47 5.031,48 5.258,49 4.066,50 4.086,51 6.282,52 3.969,53 5.001,54 5.206,55 3.975,56 3.969,57 6.311,58 3.882,59 0.251,60 0.773,61 14.906,62 5.633,63 39.497,64 6.406,65 0.675,66 1.2,67 25.161,68 8.881,69 126.159,70 11.297,71 0.919,72 1.432,73 33.59,74 10.92,75 127.853,76 14.722,77 0.785,78 1.482,79 38.659,80 11.72,81 136.302,82 15.896,83 0.907,84 1.444,85 38.375,86 11.019,87 159.296,88 14.512,89 1.405,90 1.434,91 41.07,92 11.912,93 223.869,94 14.707,95 0.962,96 1.389,97 44.953,98 13.599,99 164.739,100 15.532,101 1.156,102 1.259,103 41.446,104 11.543,105 197.569,106 13.544,107 84,108 41,109 0.289,110 0.666,111 0.84,112 0.871,113 0.878,114 0.878,115 3.374,116 1.109,117 -1.64,118 -1.71,119 -1.74,120 33.3,121 2,122 2,123 1,124 1,125 2,127 4,128 2,130 1,131 1,132 2,133 3,134 9,137 4,138 1,139 5,140 2,141 9,142 1,143 2,145 3,146 4,147 7,148 5,149 1,151 3,152 1,155 6,157 3,158 2,159 1,160 5,161 1,162 1,163 1,164 7,165 3,166 5.469}
{0 CHEMBL281562,1 -0.031,2 1.898,3 -0.123,4 1.755,5 9.667,6 1.344,7 1.807,8 98.488,9 7.792,10 0.357,11 4.016,12 4.134,13 3.744,14 3.517,15 5.165,16 3.475,17 4.557,18 4.711,19 3.994,20 3.898,21 6.052,22 3.833,23 4.866,24 5.075,25 3.972,26 4.049,27 6.004,28 3.941,29 4.971,30 5.209,31 4.063,32 4.058,33 6.082,34 3.959,35 4.95,36 5.154,37 4.175,38 4.022,39 6.49,40 3.943,41 4.966,42 5.175,43 4.083,44 4.017,45 6.317,46 3.928,47 4.958,48 5.158,49 4.005,50 3.934,51 6.287,52 3.868,53 4.85,54 5.063,55 3.93,56 3.826,57 6.446,58 3.741,59 0.276,60 0.735,61 14.162,62 4.949,63 40.205,64 5.823,65 0.759,66 1.131,67 22.439,68 8.518,69 125.004,70 10.552,71 0.776,72 1.368,73 31.193,74 10.66,75 118.144,76 13.731,77 0.856,78 1.415,79 38.953,80 11.3,81 145.793,82 14.765,83 1.289,84 1.361,85 36.696,86 10.93,87 225.473,88 13.464,89 1.139,90 1.328,91 42.06,92 11.936,93 166.261,94 13.206,95 1.225,96 1.207,97 39.848,98 10.891,99 210.634,100 12.5,101 1.284,102 1.094,103 33.711,104 10.001,105 229.743,106 12.386,107 83,108 40,109 0.297,110 0.677,111 0.836,112 0.869,113 0.876,114 0.876,115 3.34,116 1.081,117 -2.62,118 -2.64,119 -2.57,120 33.3,121 2,122 2,123 1,125 2,127 4,128 2,130 1,131 1,132 2,133 4,134 9,137 5,138 3,139 5,140 1,141 9,142 1,143 2,145 2,146 2,147 7,148 5,149 2,151 4,152 2,155 8,156 1,157 3,158 2,159 2,160 5,162 4,163 3,164 7,165 2,166 6.018}
{0 CHEMBL281785,1 0.012,2 1.89,3 -0.152,4 1.755,5 9.63,6 1.412,7 1.993,8 98.412,9 7.792,10 0.357,11 4.016,12 4.134,13 3.744,14 3.517,15 5.165,16 3.475,17 4.557,18 4.711,19 3.994,20 3.898,21 6.049,22 3.833,23 4.866,24 5.075,25 4.006,26 4.058,27 6.002,28 3.958,29 4.978,30 5.201,31 4.12,32 4.102,33 6.118,34 4,35 5.029,36 5.248,37 4.186,38 4.066,39 6.549,40 3.975,41 4.997,42 5.2,43 4.038,44 4.006,45 6.34,46 3.926,47 4.937,48 5.153,49 4.018,50 3.937,51 6.224,52 3.861,53 4.864,54 5.071,55 3.906,56 3.81,57 6.476,58 3.732,59 0.276,60 0.735,61 14.162,62 4.949,63 40.307,64 5.823,65 0.759,66 1.131,67 22.439,68 8.518,69 124.136,70 10.552,71 0.776,72 1.378,73 31.249,74 10.646,75 123.038,76 13.724,77 0.821,78 1.47,79 37.667,80 11.374,81 133.581,82 14.666,83 1.411,84 1.429,85 43.555,86 12.468,87 242.733,88 14.838,89 1.273,90 1.315,91 40.946,92 11.412,93 198.372,94 13.111,95 1.021,96 1.215,97 38.787,98 11.116,99 169.666,100 13.27,101 1.444,102 1.075,103 34.812,104 9.784,105 261.509,106 11.834,107 83,108 40,109 0.297,110 0.677,111 0.842,112 0.896,113 0.902,114 0.902,115 3.34,116 1.087,117 -2.62,118 -2.64,119 -2.57,120 33.3,121 2,122 2,123 1,125 2,127 4,128 2,130 1,131 1,132 2,133 4,134 9,137 5,138 3,139 5,140 1,141 8,142 1,143 2,145 2,146 2,147 8,148 6,149 2,151 5,152 2,155 8,156 1,157 3,158 3,159 2,160 5,162 4,163 3,164 8,165 2,166 5.553}
{0 CHEMBL282663,1 0.022,2 1.893,3 -0.133,4 1.648,5 13.622,6 3.094,7 9.575,8 138.189,9 7.487,10 0.41,11 4.338,12 4.455,13 3.993,14 3.874,15 5.467,16 3.82,17 4.877,18 5.033,19 4.292,20 4.269,21 6.218,22 4.192,23 5.225,24 5.434,25 4.324,26 4.429,27 6.365,28 4.314,29 5.347,30 5.588,31 4.314,32 4.456,33 6.392,34 4.325,35 5.336,36 5.564,37 4.483,38 4.455,39 6.552,40 4.35,41 5.401,42 5.61,43 4.574,44 4.508,45 6.785,46 4.408,47 5.442,48 5.655,49 4.503,50 4.551,51 6.687,52 4.44,53 5.485,54 5.704,55 4.464,56 4.507,57 6.705,58 4.409,59 0.25,60 1.002,61 18.625,62 7.497,63 43.549,64 8.624,65 0.651,66 1.604,67 30.979,68 12.19,69 131.712,70 15.331,71 0.932,72 2.026,73 45.967,74 16.19,75 135.766,76 20.622,77 0.958,78 2.152,79 54.813,80 17.707,81 175.989,82 22.533,83 1.037,84 2.154,85 54.683,86 17.276,87 196.282,88 21.891,89 1.585,90 2.228,91 59.501,92 18.57,93 262.167,94 21.954,95 1.193,96 2.285,97 64.862,98 20.975,99 219.844,100 23.739,101 1.395,102 2.255,103 64.607,104 19.903,105 248.356,106 24.377,107 92,108 55,109 0.258,110 0.618,111 0.804,112 0.875,113 0.879,114 0.879,115 3.642,116 1.061,117 -2.69,118 -2.7,119 -2.63,120 36.6,121 2,122 4,123 1,125 2,126 1,127 8,128 3,129 1,130 1,131 1,132 2,133 3,134 15,137 4,138 1,139 8,140 2,141 16,142 2,143 3,145 3,146 4,147 12,148 11,149 2,151 4,152 1,155 10,157 6,158 3,159 1,160 7,161 1,162 1,163 1,164 13,165 3,166 5.523}
{0 CHEMBL283758,1 -0.02,2 1.957,3 -0.147,4 1.647,5 13.769,6 3.655,7 13.36,8 147.581,9 7.495,10 0.476,11 4.386,12 4.507,13 4.048,14 3.939,15 5.483,16 3.885,17 4.935,18 5.093,19 4.36,20 4.349,21 6.235,22 4.273,23 5.267,24 5.479,25 4.388,26 4.501,27 6.364,28 4.386,29 5.388,30 5.626,31 4.386,32 4.533,33 6.418,34 4.406,35 5.391,36 5.62,37 4.514,38 4.52,39 6.582,40 4.409,41 5.448,42 5.665,43 4.626,44 4.564,45 6.786,46 4.457,47 5.48,48 5.694,49 4.6,50 4.613,51 6.719,52 4.499,53 5.532,54 5.75,55 4.541,56 4.587,57 6.758,58 4.486,59 0.217,60 1.078,61 19.135,62 7.666,63 37.446,64 8.958,65 0.634,66 1.744,67 32.292,68 12.739,69 128.8,70 16.153,71 0.857,72 2.187,73 47.314,74 17.004,75 121.855,76 21.822,77 0.858,78 2.338,79 56.066,80 18.565,81 153.853,82 23.586,83 0.985,84 2.327,85 57.103,86 18.431,87 184.9,88 23.272,89 1.531,90 2.396,91 62.003,92 19.55,93 250.234,94 23.518,95 1.158,96 2.455,97 67.097,98 22.215,99 200.419,100 24.937,101 1.257,102 2.465,103 68.022,104 21.511,105 228.88,106 25.398,107 75,108 60,109 0.254,110 0.609,111 0.77,112 0.828,113 0.845,114 0.862,115 3.693,116 1.047,117 -2.75,118 -2.76,119 -2.68,120 37.8,121 2,122 4,123 1,125 2,126 1,127 8,128 4,130 2,131 2,132 2,133 3,134 16,137 4,138 1,139 9,140 2,141 16,142 2,143 3,145 3,146 4,147 13,148 11,149 2,151 4,152 1,155 11,157 8,158 3,159 1,160 7,161 1,162 1,163 1,164 11,165 3,166 5.721}
{0 CHEMBL479579,1 0.025,2 1.797,3 -0.055,4 1.713,5 13.162,6 0.486,7 0.236,8 129.357,9 7.656,10 0.256,11 4.363,12 4.469,13 4.029,14 3.802,15 5.503,16 3.785,17 4.939,18 5.08,19 4.365,20 4.213,21 6.272,22 4.174,23 5.284,24 5.469,25 4.492,26 4.396,27 6.551,28 4.323,29 5.405,30 5.616,31 4.54,32 4.416,33 6.649,34 4.332,35 5.365,36 5.568,37 4.578,38 4.386,39 6.836,40 4.299,41 5.341,42 5.537,43 4.506,44 4.375,45 6.72,46 4.301,47 5.38,48 5.571,49 4.441,50 4.338,51 6.739,52 4.297,53 5.329,54 5.528,55 4.422,56 4.344,57 6.759,58 4.283,59 0.414,60 0.98,61 19.075,62 6.854,63 59.079,64 8.251,65 1.139,66 1.529,67 32.319,68 11.854,69 148.839,70 14.623,71 1.764,72 1.887,73 50.442,74 15.633,75 225.523,76 19.48,77 2.148,78 1.965,79 62.387,80 16.46,81 279.114,82 20.776,83 2.354,84 1.898,85 61.163,86 16.459,87 340.179,88 19.567,89 2.007,90 1.866,91 63.68,92 16.723,93 278.801,94 18.803,95 2.296,96 1.806,97 59.538,98 14.994,99 329.646,100 18.589,101 1.95,102 1.814,103 51.819,104 15.331,105 300.247,106 20.1,107 127,108 57,109 0.27,110 0.637,111 0.823,112 0.888,113 0.907,114 0.912,115 3.642,116 1.033,117 -1.1,118 -1.2,119 -1.28,120 32.4,121 3,122 2,123 1,125 6,126 1,127 4,128 2,130 1,131 1,132 3,133 3,134 9,135 2,136 1,137 6,138 1,139 5,140 1,141 9,142 1,143 2,144 1,145 5,146 4,147 8,148 5,149 2,150 1,151 6,152 2,153 4,154 1,155 8,156 2,157 3,158 2,159 3,160 6,162 6,163 4,164 7,165 3,166 5.509}