@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1795162

@attribute molecule_id {CHEMBL1823492,CHEMBL1823493,CHEMBL1823494,CHEMBL1823495,CHEMBL1823496,CHEMBL1823497,CHEMBL1823498,CHEMBL1823499,CHEMBL1823500,CHEMBL1823501,CHEMBL1823502,CHEMBL1823503,CHEMBL1823504,CHEMBL1823505}
@attribute AAC numeric
@attribute AMW numeric
@attribute BIC0 numeric
@attribute C. numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_09_LL numeric
@attribute CIC0 numeric
@attribute Eta_beta_A numeric
@attribute GATS3e numeric
@attribute IC0 numeric
@attribute MATS3p numeric
@attribute MATS3s numeric
@attribute MATS4m numeric
@attribute nCs numeric
@attribute ON1V numeric
@attribute PHI numeric
@attribute P_VSA_LogP_5 numeric
@attribute P_VSA_s_3 numeric
@attribute PW5 numeric
@attribute S2K numeric
@attribute SdssC numeric
@attribute SIC0 numeric
@attribute SpMin2_Bh.m. numeric
@attribute SpMin6_Bh.m. numeric
@attribute StsC numeric
@attribute X1Per numeric
@attribute X3A numeric
@attribute SpMin7_Bh.s. numeric
@attribute Eta_F_A numeric
@attribute GATS2i numeric
@attribute MATS3e numeric
@attribute MATS3m numeric
@attribute GATS8s numeric
@attribute Eta_C_A numeric
@attribute GATS1m numeric
@attribute GATS2p numeric
@attribute GATS2v numeric
@attribute MATS3v numeric
@attribute nCsp3 numeric
@attribute NssCH2 numeric
@attribute SIC1 numeric
@attribute SpMAD_AEA.bo. numeric
@attribute X2Av numeric
@attribute ATSC1e numeric
@attribute ATSC1s numeric
@attribute Eig05_EA.dm. numeric
@attribute GATS4m numeric
@attribute GATS7s numeric
@attribute Hypertens.80 numeric
@attribute MATS4e numeric
@attribute Psi_e_A numeric
@attribute Psi_i_A numeric
@attribute SpAD_EA.dm. numeric
@attribute SpMin2_Bh.s. numeric
@attribute ALOGP numeric
@attribute ATS3p numeric
@attribute ATS4p numeric
@attribute ATS4v numeric
@attribute ATS5e numeric
@attribute ATS5i numeric
@attribute ATS5p numeric
@attribute ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6i numeric
@attribute ATS6p numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7i numeric
@attribute ATS7p numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS8p numeric
@attribute ATS8v numeric
@attribute ATSC1p numeric
@attribute ATSC2i numeric
@attribute ATSC3i numeric
@attribute ATSC3p numeric
@attribute ATSC4i numeric
@attribute ATSC4v numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5v numeric
@attribute ATSC6i numeric
@attribute ATSC6p numeric
@attribute ATSC6v numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7v numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8v numeric
@attribute BIC2 numeric
@attribute BLI numeric
@attribute CATS2D_07_DL numeric
@attribute CIC2 numeric
@attribute CIC3 numeric
@attribute DLS_02 numeric
@attribute Eig07_AEA.dm. numeric
@attribute Eta_betaP_A numeric
@attribute Eta_FL_A numeric
@attribute Eta_L_A numeric
@attribute GATS1v numeric
@attribute GATS3s numeric
@attribute GATS4v numeric
@attribute H. numeric
@attribute IC1 numeric
@attribute LLS_02 numeric
@attribute LOC numeric
@attribute MATS2i numeric
@attribute MATS2p numeric
@attribute MATS4v numeric
@attribute MATS5s numeric
@attribute MCD numeric
@attribute Mv numeric
@attribute RBF numeric
@attribute SIC2 numeric
@attribute SpDiam_AEA.ed. numeric
@attribute SpMAD_EA.ri. numeric
@attribute SpMax8_Bh.s. numeric
@attribute SpMaxA_EA.dm. numeric
@attribute SpMin8_Bh.s. numeric
@attribute SsCH3 numeric
@attribute X0Av numeric
@attribute X1Av numeric
@attribute X3v numeric
@attribute ATS2v numeric
@attribute ATS3v numeric
@attribute ATSC4p numeric
@attribute ATSC7p numeric
@attribute ATSC8p numeric
@attribute C.002 numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_08_AL numeric
@attribute DLS_07 numeric
@attribute Eig09_AEA.ri. numeric
@attribute Eig09_EA.ri. numeric
@attribute Eig12_AEA.ri. numeric
@attribute Eig12_EA.ri. numeric
@attribute Eta_B_A numeric
@attribute Eta_betaS_A numeric
@attribute GATS3m numeric
@attribute GATS3v numeric
@attribute GATS7e numeric
@attribute H.046 numeric
@attribute H.051 numeric
@attribute JGI1 numeric
@attribute MATS1e numeric
@attribute MATS1p numeric
@attribute MATS7e numeric
@attribute MATS7p numeric
@attribute MATS7s numeric
@attribute Mp numeric
@attribute nC numeric
@attribute nRCONHR numeric
@attribute Psi_i_1 numeric
@attribute P_VSA_i_2 numeric
@attribute P_VSA_MR_1 numeric
@attribute PW2 numeric
@attribute SM03_EA.dm. numeric
@attribute pXC50 numeric

@data
{1 2.088,2 9.885,3 0.398,4 27.3,10 2.956,11 1,12 0.998,13 2.088,14 -0.042,15 -0.054,16 -0.04,17 3,18 1.592,19 4.677,21 25.228,22 0.089,23 6.004,24 -3.325,25 0.414,26 1.751,27 0.879,29 4.447,30 0.185,32 0.895,33 1.058,34 -0.102,35 -0.16,36 1.186,37 0.838,38 0.732,39 1.007,40 1.037,41 -0.101,42 5,43 2,44 0.817,45 1.556,46 0.17,47 0.579,48 81.198,50 0.945,51 1.534,53 -0.065,54 8.991,55 3.491,56 8.421,57 0.973,58 -2.585,59 3.478,60 3.41,61 3.421,62 4.407,63 4.589,64 3.359,65 3.351,66 4.293,67 4.42,68 3.213,69 3.257,70 4.225,71 4.397,72 2.953,73 2.946,74 3.738,75 3.935,76 2.65,77 2.637,78 3.22,79 0.734,80 0.788,81 6.045,82 0.725,83 6.276,84 0.662,85 22.205,86 5.966,87 6.177,88 0.608,89 5.282,90 4.861,91 0.446,92 17.406,93 3.726,94 0.304,95 14.189,96 2.878,97 0.903,98 0.988,100 0.303,101 0.242,102 0.83,103 1.878,104 0.286,105 0.208,106 0.252,107 1.016,108 0.861,109 1.066,110 36.4,111 4.123,112 0.88,113 1.365,114 -0.032,115 -0.065,116 -0.06,117 0.052,118 0.524,119 0.643,120 0.118,121 0.94,122 5.693,123 1.451,124 4.63,125 0.078,128 0.537,129 0.329,130 3.331,131 3.454,132 3.515,133 6.006,134 4.115,135 3.097,136 1,139 0.5,140 1.317,141 0.338,142 0.188,143 -0.674,144 0.044,145 0.714,146 1.017,147 1.077,148 1.351,151 0.318,152 -0.335,153 -0.293,154 -0.274,155 0.2,156 -0.372,157 0.631,158 9,160 11.161,161 34.276,162 109.129,163 0.61,164 1.305,165 6.244}
{0 CHEMBL1823493,1 1.956,2 9.454,3 0.354,4 31.6,5 1,6 1,7 1,8 1,10 3.292,11 1.125,12 1.088,13 1.956,14 -0.064,15 -0.121,16 -0.062,17 3,18 1.884,19 5.782,20 34.245,21 19.293,22 0.094,23 7.451,24 -1.449,25 0.373,26 1.802,27 1.049,28 1.71,29 5.241,30 0.184,32 0.983,33 1.037,34 -0.175,35 -0.172,36 0.831,37 0.818,38 0.749,39 0.994,40 1.028,41 -0.094,42 5,43 2,44 0.824,45 1.585,46 0.171,47 0.485,48 68.559,49 0.429,50 0.964,51 1.457,53 -0.057,54 8.742,55 3.242,56 12.491,57 0.998,58 -2.188,59 3.673,60 3.648,61 3.638,62 4.574,63 4.758,64 3.631,65 3.611,66 4.515,67 4.649,68 3.541,69 3.556,70 4.458,71 4.632,72 3.372,73 3.337,74 4.113,75 4.31,76 3.159,77 3.116,78 3.798,79 0.788,80 0.92,81 7.288,82 0.902,83 7.62,84 0.873,85 24.353,86 7.317,87 7.792,88 0.799,89 6.983,90 6.78,91 0.668,92 20.603,93 5.878,94 0.525,95 17.077,96 5.365,97 0.902,98 0.983,99 1,100 0.263,101 0.211,102 0.83,103 2.067,104 0.438,105 0.229,106 0.238,107 0.97,108 0.899,109 1.016,110 36.8,111 4.323,112 0.88,113 1.606,114 0.096,115 -0.043,116 -0.036,117 -0.024,118 0.458,119 0.654,120 0.128,121 0.95,122 6.42,123 1.431,124 4.644,125 0.081,128 0.542,129 0.328,130 3.74,131 3.587,132 3.679,133 7.18,134 5.894,135 4.916,136 1,137 2,138 2,139 0.5,140 1.55,141 0.558,142 0.539,143 -0.483,144 0.037,145 0.688,146 1.036,147 1.075,148 1.3,151 0.28,152 -0.328,153 -0.267,154 -0.242,155 0.154,156 -0.346,157 0.655,158 12,160 12.64,161 63.895,162 117.711,163 0.59,164 1.305,165 4.301}
{0 CHEMBL1823494,1 1.97,2 9.356,3 0.346,4 34.9,5 1,6 1,7 2,8 2,10 3.456,11 1.13,12 1.043,13 1.97,14 -0.043,15 -0.119,16 -0.064,17 3,18 2.21,19 5.675,20 15.492,21 31.6,22 0.095,23 7.678,24 -1.384,25 0.363,26 1.83,27 1.131,29 6.115,30 0.18,31 0.125,32 1.024,33 0.97,34 -0.159,35 -0.169,36 0.909,37 0.859,38 0.719,39 0.974,40 0.998,41 -0.074,42 5,43 2,44 0.786,45 1.551,46 0.167,47 0.512,48 69.764,50 0.946,51 1.325,53 -0.042,54 8.635,55 3.135,56 8.421,57 1.116,58 -0.81,59 3.867,60 3.823,61 3.81,62 4.724,63 4.91,64 3.806,65 3.787,66 4.684,67 4.823,68 3.743,69 3.763,70 4.675,71 4.841,72 3.621,73 3.604,74 4.396,75 4.585,76 3.469,77 3.432,78 4.572,79 1.04,80 1.241,81 9.096,82 1.163,83 9.22,84 1.095,85 27.443,86 8.651,87 9.212,88 1.071,89 8.422,90 8.171,91 0.995,92 24.742,93 7.509,94 0.825,95 21.155,96 7.277,97 0.862,98 0.964,99 1,100 0.512,101 0.372,102 0.83,103 2.405,104 0.444,105 0.231,106 0.237,107 0.936,108 0.91,109 1.054,110 37.2,111 4.263,112 0.88,113 1.209,114 0.051,115 -0.031,116 -0.075,117 -0.038,118 0.63,119 0.658,120 0.111,121 0.906,122 6.042,123 1.464,124 4.69,125 0.059,126 0.047,128 0.54,129 0.321,130 4.53,131 3.778,132 3.869,133 8.83,134 7.688,135 7.028,136 1,137 5,138 1,139 0.5,140 2.142,141 1.114,142 1.265,143 0.264,144 0.038,145 0.685,146 1.019,147 1.05,148 1.173,151 0.276,152 -0.258,153 -0.211,154 -0.115,155 0.143,156 -0.203,157 0.659,158 15,160 14.951,161 78.552,162 156.213,163 0.604,164 1.305,165 4.301}
{0 CHEMBL1823495,1 1.826,2 8.816,3 0.314,4 34,5 2,6 1,7 2,8 2,10 3.729,11 1.134,12 1.055,13 1.826,14 -0.042,15 -0.119,16 -0.057,17 3,18 2.383,19 6.218,20 22.614,21 27.722,22 0.096,23 8.308,24 -1.161,25 0.329,26 1.831,27 1.157,29 6.443,30 0.18,31 0.17,32 1.032,33 0.946,34 -0.151,35 -0.165,36 0.91,37 0.879,38 0.746,39 0.916,40 0.918,41 -0.073,42 6,43 2,44 0.756,45 1.538,46 0.168,47 0.462,48 55.149,49 0.429,50 0.918,51 1.461,53 -0.007,54 8.434,55 2.934,56 10.141,57 1.125,58 -1.032,59 3.938,60 3.933,61 3.906,62 4.846,63 5.04,64 3.927,65 3.893,66 4.789,67 4.93,68 3.863,69 3.86,70 4.778,71 4.953,72 3.749,73 3.716,74 4.578,75 4.773,76 3.616,77 3.57,78 4.869,79 0.996,80 1.189,81 9.354,82 1.217,83 10.888,84 1.219,85 31.916,86 9.77,87 11.242,88 1.131,89 9.324,90 10.107,91 1.022,92 28.222,93 9.154,94 0.881,95 25.7,96 8.626,97 0.873,98 0.974,99 1,100 0.484,101 0.271,102 0.83,103 2.353,104 0.446,105 0.233,106 0.237,107 0.988,108 0.912,109 1.082,110 40.4,111 4.202,112 0.88,113 1.287,114 0.189,115 0.039,116 -0.106,117 -0.039,118 0.607,119 0.641,120 0.122,121 0.913,122 6.219,123 1.451,124 4.633,125 0.057,126 0.128,127 1.484,128 0.558,129 0.325,130 4.755,131 3.821,132 3.929,133 9.579,134 8.44,135 7.541,136 1,137 5,138 4,139 0.5,140 2.24,141 1.213,142 1.296,143 0.368,144 0.036,145 0.688,146 1.004,147 1.042,148 1.256,151 0.267,152 -0.266,153 -0.233,154 -0.211,155 0.084,156 -0.292,157 0.652,158 16,160 15.47,161 85.557,162 176.567,163 0.597,164 1.305,165 4.301}
{0 CHEMBL1823496,1 1.642,2 7.27,3 0.266,4 32.3,5 10,6 9,7 8,8 2,9 5,10 4.38,11 0.883,12 0.865,13 1.642,14 -0.008,15 0.003,16 0.082,17 12,18 4.306,19 11.205,20 3.186,21 42.104,22 0.082,23 13.349,24 -1.218,25 0.273,26 1.963,27 1.595,28 5.754,29 8.932,30 0.195,31 0.711,32 0.751,33 1.183,34 0.008,35 0.034,36 0.866,37 1.14,38 0.859,39 1.108,40 1.161,41 0.034,42 15,43 11,44 0.556,45 1.484,46 0.209,47 0.273,48 42.982,50 0.819,51 1.309,52 1,53 0.11,54 8.181,55 2.681,56 8.421,57 1.272,58 2.648,59 4.181,60 4.147,61 4.034,62 5.057,63 5.299,64 4.135,65 4.017,66 5.033,67 5.247,68 4.089,69 4,70 5.008,71 5.239,72 4.008,73 3.891,74 4.85,75 5.09,76 3.922,77 3.806,78 6.684,79 1.335,80 1.563,81 13.268,82 1.503,83 17.667,84 1.46,85 41.451,86 12.828,87 17.115,88 1.414,89 11.96,90 15.997,91 1.312,92 38.393,93 14.932,94 1.185,95 34.388,96 13.663,97 0.713,98 1.147,99 2,100 1.62,101 1.073,102 0.5,103 2.185,104 0.25,105 0.15,106 0.325,107 1.167,108 0.751,109 0.956,110 50.8,111 3.347,112 0.63,113 2.636,114 -0.011,115 -0.09,116 0.033,117 0.043,118 0.344,119 0.586,120 0.182,121 0.731,122 6.542,123 1.397,124 4.61,125 0.052,126 0.515,127 2.196,128 0.602,129 0.382,130 5.753,131 3.997,132 4.076,133 12.873,134 11.025,135 10.106,136 10,137 12,138 5,140 2.358,141 1.337,142 1.655,143 0.654,144 0.027,145 0.633,146 0.86,147 0.962,148 1.092,149 21,151 0.212,152 -0.199,153 -0.18,154 -0.057,155 0.077,156 -0.163,157 0.623,158 21,160 18.204,161 94.038,162 341.362,163 0.567,164 1.305,165 4.301}
{0 CHEMBL1823497,1 1.662,2 7.402,3 0.269,4 31.8,5 9,6 8,7 7,8 3,9 4,10 4.382,11 0.879,12 0.803,13 1.662,14 -0.016,15 0.051,16 0.07,17 12,18 4.262,19 11.342,20 3.186,21 39.569,22 0.084,23 13.457,24 -1.579,25 0.275,26 1.963,27 1.576,28 5.636,29 9.007,30 0.193,31 0.687,32 0.799,33 1.2,34 0.094,35 0.062,36 1.031,37 1.156,38 0.857,39 1.12,40 1.161,41 0.03,42 15,43 10,44 0.571,45 1.49,46 0.202,47 0.335,48 53.442,50 0.837,51 1.04,52 1,53 0.057,54 8.277,55 2.777,56 8.421,57 1.272,58 1.882,59 4.198,60 4.171,61 4.078,62 5.103,63 5.331,64 4.162,65 4.065,66 5.088,67 5.298,68 4.117,69 4.046,70 5.048,71 5.265,72 4.042,73 3.943,74 4.904,75 5.133,76 3.945,77 3.843,78 6.707,79 1.342,80 1.577,81 13.358,82 1.533,83 17.784,84 1.489,85 43.381,86 13.061,87 17.378,88 1.448,89 12.073,90 16.236,91 1.34,92 40.716,93 15.315,94 1.206,95 36.372,96 13.756,97 0.729,98 1.123,99 3,100 1.531,101 1.057,102 0.5,103 2.249,104 0.242,105 0.153,106 0.321,107 1.149,108 0.743,109 0.94,110 50,111 3.451,112 0.63,113 2.607,114 -0.014,115 -0.091,116 0.043,117 0.101,118 0.333,119 0.588,120 0.179,121 0.747,122 6.811,123 1.399,124 4.767,125 0.051,126 0.514,127 2.184,128 0.593,129 0.374,130 5.85,131 4.02,132 4.114,133 12.985,134 11.493,135 10.251,136 9,137 12,138 5,140 2.443,141 1.428,142 1.671,143 0.67,144 0.029,145 0.636,146 0.836,147 0.968,148 0.889,149 21,151 0.206,152 -0.213,153 -0.162,154 0.143,155 0.045,156 0.089,157 0.621,158 21,160 18.643,161 91.503,162 329.591,163 0.571,164 1.305,165 4.301}
{0 CHEMBL1823498,1 1.74,2 7.738,3 0.283,4 31.7,5 5,6 5,7 5,8 3,9 4,10 4.237,11 0.939,12 0.976,13 1.74,14 -0.007,15 -0.058,16 0.019,17 9,18 3.911,19 11.009,20 3.186,21 41.311,22 0.082,23 13.215,24 -1.407,25 0.291,26 1.957,27 1.579,28 5.548,29 8.588,30 0.195,31 0.697,32 0.865,33 1.172,34 -0.064,35 -0.011,36 0.78,37 1.071,38 0.82,39 1.086,40 1.12,41 0.027,42 13,43 9,44 0.636,45 1.503,46 0.193,47 0.37,48 53.718,49 0.429,50 0.895,51 1.311,52 1,53 0.015,54 8.348,55 2.848,56 12.533,57 1.249,58 -0.004,59 4.124,60 4.086,61 4.016,62 5.006,63 5.224,64 4.077,65 4.003,66 4.979,67 5.16,68 4.04,69 3.992,70 4.976,71 5.187,72 3.977,73 3.884,74 4.84,75 5.077,76 3.9,77 3.798,78 6.096,79 1.285,80 1.477,81 11.803,82 1.413,83 15.29,84 1.371,85 39.15,86 11.319,87 14.761,88 1.328,89 10.762,90 13.824,91 1.25,92 36.697,93 13.667,94 1.149,95 34.065,96 13.241,97 0.838,98 1.084,99 3,100 0.825,101 0.425,102 0.5,103 2.509,104 0.288,105 0.176,106 0.296,107 1.122,108 0.869,109 0.966,110 47.6,111 3.8,112 0.63,113 2.607,114 0.004,115 -0.079,116 0.011,117 -0.043,118 0.333,119 0.6,120 0.172,121 0.862,122 6.471,123 1.409,124 4.77,125 0.056,126 0.341,127 2.05,128 0.583,129 0.361,130 5.406,131 3.977,132 4.058,133 11.322,134 10.373,135 9.813,136 7,137 8,138 6,140 2.409,141 1.388,142 1.687,143 0.691,144 0.03,145 0.652,146 0.914,147 0.962,148 1.134,149 11,150 2,151 0.235,152 -0.217,153 -0.195,154 -0.115,155 0.064,156 -0.192,157 0.626,158 20,159 1,160 18.135,161 93.244,162 270.735,163 0.573,164 2.029,165 4.301}
{0 CHEMBL1823499,1 1.756,2 7.867,3 0.285,4 31.3,5 4,6 4,7 4,8 4,9 3,10 4.244,11 0.934,12 0.915,13 1.756,14 -0.015,15 -0.016,16 0.004,17 9,18 3.866,19 11.158,20 3.186,21 38.776,22 0.084,23 13.337,24 -1.792,25 0.293,26 1.957,27 1.559,28 5.43,29 8.663,30 0.193,31 0.676,32 0.911,33 1.191,34 0.016,35 0.015,36 0.934,37 1.088,38 0.822,39 1.098,40 1.119,41 0.02,42 13,43 8,44 0.647,45 1.509,46 0.187,47 0.44,48 65.286,49 0.429,50 0.913,51 1.074,53 -0.036,54 8.435,55 2.935,56 12.533,57 1.249,58 -0.77,59 4.142,60 4.111,61 4.062,62 5.055,63 5.258,64 4.105,65 4.051,66 5.037,67 5.217,68 4.07,69 4.039,70 5.017,71 5.215,72 4.012,73 3.938,74 4.894,75 5.12,76 3.924,77 3.836,78 6.113,79 1.292,80 1.491,81 11.892,82 1.441,83 15.351,84 1.4,85 40.708,86 11.558,87 14.979,88 1.361,89 10.881,90 14.022,91 1.278,92 38.719,93 14.043,94 1.168,95 35.958,96 13.291,97 0.847,98 1.062,99 4,100 0.774,101 0.418,102 0.33,103 2.516,104 0.279,105 0.178,106 0.293,107 1.103,108 0.858,109 0.948,110 46.9,111 3.882,112 0.5,113 2.576,115 -0.08,116 0.022,117 0.009,118 0.324,119 0.602,120 0.169,121 0.871,122 6.74,123 1.41,124 6.23,125 0.054,126 0.34,127 2.038,128 0.576,129 0.354,130 5.503,131 4.001,132 4.097,133 11.439,134 10.842,135 9.95,136 6,137 8,138 6,140 2.566,141 1.542,142 1.693,143 0.696,144 0.031,145 0.654,146 0.889,147 0.967,148 0.945,149 11,150 2,151 0.229,152 -0.233,153 -0.175,154 0.073,155 0.03,156 0.033,157 0.623,158 20,159 1,160 18.575,161 90.71,162 258.964,163 0.577,164 2.029,165 4.301}
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