@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4352

@attribute molecule_id {CHEMBL1644850,CHEMBL1672113,CHEMBL1672114,CHEMBL1672115,CHEMBL1672116,CHEMBL1672119,CHEMBL1672120,CHEMBL1672121,CHEMBL1672122,CHEMBL1672123,CHEMBL1672124,CHEMBL1672125,CHEMBL1672127,CHEMBL1683506}
@attribute ATSC1e numeric
@attribute ATSC6m numeric
@attribute ATSC7m numeric
@attribute CATS2D_07_NL numeric
@attribute Eig10_AEA.bo. numeric
@attribute Eig10_AEA.ri. numeric
@attribute Eig10_EA numeric
@attribute Eig10_EA.bo. numeric
@attribute Eig10_EA.ed. numeric
@attribute Eig10_EA.ri. numeric
@attribute Eig15_AEA.bo. numeric
@attribute GATS6e numeric
@attribute GATS6s numeric
@attribute GATS8v numeric
@attribute JGI4 numeric
@attribute JGI9 numeric
@attribute MATS5m numeric
@attribute MATS5s numeric
@attribute MATS6e numeric
@attribute MATS6m numeric
@attribute MATS6s numeric
@attribute MATS6v numeric
@attribute MATS8i numeric
@attribute MATS8v numeric
@attribute P_VSA_i_3 numeric
@attribute S3K numeric
@attribute SM04_AEA.dm. numeric
@attribute SM05_AEA.ri. numeric
@attribute SpMax6_Bh.e. numeric
@attribute SpMax6_Bh.i. numeric
@attribute SpMax7_Bh.m. numeric
@attribute SpMin5_Bh.m. numeric
@attribute SpMin5_Bh.s. numeric
@attribute SpMin6_Bh.m. numeric
@attribute SpMin6_Bh.p. numeric
@attribute SpMin6_Bh.s. numeric
@attribute SpMin6_Bh.v. numeric
@attribute Uindex numeric
@attribute Xindex numeric
@attribute SpMax5_Bh.i. numeric
@attribute SpMax5_Bh.p. numeric
@attribute SpMin5_Bh.e. numeric
@attribute SpMin5_Bh.i. numeric
@attribute SpMin5_Bh.p. numeric
@attribute SpMin5_Bh.v. numeric
@attribute SpMin7_Bh.v. numeric
@attribute Eig01_AEA.ri. numeric
@attribute Eig01_EA.ed. numeric
@attribute Eig01_EA.ri. numeric
@attribute Eig15_AEA.dm. numeric
@attribute GATS8m numeric
@attribute IDE numeric
@attribute MATS8e numeric
@attribute MATS8s numeric
@attribute PHI numeric
@attribute RDCHI numeric
@attribute SM10_AEA.dm. numeric
@attribute SM11_EA.ed. numeric
@attribute SM12_EA.ed. numeric
@attribute SM13_EA.ed. numeric
@attribute SM14_EA.ed. numeric
@attribute SM15_EA.ed. numeric
@attribute SpDiam_EA.ed. numeric
@attribute SpDiam_EA.ri. numeric
@attribute SpMax_AEA.ri. numeric
@attribute SpMax_EA.ed. numeric
@attribute SpMax_EA.ri. numeric
@attribute CATS2D_09_DL numeric
@attribute HVcpx numeric
@attribute ICR numeric
@attribute SpMin6_Bh.e. numeric
@attribute SpMax5_Bh.v. numeric
@attribute Eig14_EA.bo. numeric
@attribute GMTIV numeric
@attribute MDDD numeric
@attribute Eig13_AEA.dm. numeric
@attribute Eig14_AEA.ri. numeric
@attribute Eig14_EA numeric
@attribute Eig14_EA.ri. numeric
@attribute SM08_AEA.dm. numeric
@attribute SsOH numeric
@attribute X3v numeric
@attribute AAC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute ATS6i numeric
@attribute CATS2D_09_AL numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig07_AEA.dm. numeric
@attribute Eig07_AEA.ri. numeric
@attribute Eig07_EA numeric
@attribute Eig07_EA.bo. numeric
@attribute Eig07_EA.ed. numeric
@attribute Eig07_EA.ri. numeric
@attribute Eta_alpha_A numeric
@attribute Eta_C_A numeric
@attribute Eta_FL_A numeric
@attribute GATS5e numeric
@attribute IC0 numeric
@attribute MATS4s numeric
@attribute MATS7m numeric
@attribute Me numeric
@attribute MSD numeric
@attribute N. numeric
@attribute PCR numeric
@attribute RBN numeric
@attribute SM02_AEA.ri. numeric
@attribute SM15_AEA.bo. numeric
@attribute SpMax4_Bh.m. numeric
@attribute SpMax6_Bh.m. numeric
@attribute ARR numeric
@attribute ATS4i numeric
@attribute ATS6s numeric
@attribute ATS7e numeric
@attribute ATS7i numeric
@attribute ATS7s numeric
@attribute ATSC1s numeric
@attribute ATSC4m numeric
@attribute BIC0 numeric
@attribute BIC1 numeric
@attribute C. numeric
@attribute CATS2D_08_LL numeric
@attribute CIC1 numeric
@attribute DBI numeric
@attribute Eta_beta_A numeric
@attribute Eta_betaP_A numeric
@attribute Eta_L_A numeric
@attribute GATS2s numeric
@attribute GATS8e numeric
@attribute JGI3 numeric
@attribute JGI5 numeric
@attribute LLS_01 numeric
@attribute MATS2s numeric
@attribute Mi numeric
@attribute nCsp3 numeric
@attribute SIC0 numeric
@attribute SIC1 numeric
@attribute SpMin8_Bh.m. numeric
@attribute TIE numeric
@attribute Vindex numeric
@attribute X3A numeric
@attribute Yindex numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute CATS2D_06_DL numeric
@attribute IC2 numeric
@attribute MLOGP numeric
@attribute MLOGP2 numeric
@attribute SIC2 numeric
@attribute SpMaxA_EA.dm. numeric
@attribute ATSC5m numeric
@attribute ATSC8s numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_07_AP numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_08_DL numeric
@attribute Eig01_AEA.ed. numeric
@attribute Eig01_EA numeric
@attribute Eig02_AEA.ri. numeric
@attribute Eig02_EA numeric
@attribute Eig02_EA.ri. numeric
@attribute GATS4p numeric
@attribute GATS4v numeric
@attribute JGI7 numeric
@attribute MATS4v numeric
@attribute MATS7s numeric
@attribute PW4 numeric
@attribute SM02_EA.dm. numeric
@attribute SM03_EA.ed. numeric
@attribute SM04_EA.dm. numeric
@attribute SM05_EA.ed. numeric
@attribute SM05_EA.ri. numeric
@attribute SM06_EA.ed. numeric
@attribute SM06_EA.ri. numeric
@attribute SM07_EA numeric
@attribute SM07_EA.ed. numeric
@attribute SM07_EA.ri. numeric
@attribute SM08_EA numeric
@attribute SM08_EA.ed. numeric
@attribute SM08_EA.ri. numeric
@attribute SM09_AEA.bo. numeric
@attribute SM09_EA numeric
@attribute SM09_EA.ed. numeric
@attribute SM09_EA.ri. numeric
@attribute SM10_AEA.bo. numeric
@attribute SM10_AEA.ed. numeric
@attribute SM10_EA numeric
@attribute SM10_EA.ed. numeric
@attribute SM10_EA.ri. numeric
@attribute SM11_AEA.ed. numeric
@attribute SM11_EA numeric
@attribute SM11_EA.ri. numeric
@attribute SM12_AEA.ed. numeric
@attribute SM12_EA numeric
@attribute SM12_EA.ri. numeric
@attribute SM13_AEA.ed. numeric
@attribute SM13_EA numeric
@attribute SM13_EA.ri. numeric
@attribute SM14_AEA.ed. numeric
@attribute SM14_EA numeric
@attribute SM14_EA.ri. numeric
@attribute SM15_AEA.ed. numeric
@attribute SM15_EA numeric
@attribute SM15_EA.ri. numeric
@attribute SpAD_EA.dm. numeric
@attribute SpDiam_AEA.ri. numeric
@attribute SpDiam_EA numeric
@attribute SpMAD_EA.dm. numeric
@attribute SpMax_AEA.ed. numeric
@attribute SpMax_EA numeric
@attribute MATS4e numeric
@attribute PW5 numeric
@attribute GATS6m numeric
@attribute SaaCH numeric
@attribute SpMax6_Bh.p. numeric
@attribute SpMax6_Bh.v. numeric
@attribute SpMin6_Bh.i. numeric
@attribute AECC numeric
@attribute AMR numeric
@attribute AMW numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute pXC50 numeric

@data
{1 0.07,2 47.724,3 51.722,5 2.5,6 2,7 1,8 1.5,9 2.338,10 1,11 1.124,12 1.03,13 0.998,14 1.054,15 0.049,16 0.011,17 -0.1,18 0.086,19 -0.087,20 -0.091,21 -0.06,22 -0.099,23 -0.074,24 -0.062,25 403.423,26 5.096,27 1,28 2.338,29 3.337,30 3.403,31 3.132,32 1.736,33 0.98,34 1.652,35 1.621,36 0.808,37 1.636,38 57.548,39 0.382,40 3.501,41 3.256,42 1.543,43 1.48,44 1.754,45 1.77,46 1.489,47 4.282,48 11.905,49 3.261,50 0.222,51 0.996,52 3.423,53 0.027,54 0.02,55 7.377,56 3.88,57 11.905,58 27.468,59 29.931,60 32.371,61 34.832,62 37.286,63 19.428,64 5.261,65 4.282,66 11.905,67 3.261,68 4,69 3.239,70 2.677,71 1.373,72 3.255,73 0.395,74 23676,75 28.581,76 1,77 1.341,78 0.336,79 0.335,80 0.336,82 6.067,83 1.421,84 2.736,85 7.485,86 5.574,87 8,88 3.121,89 2.416,90 2.992,91 1.996,92 2.227,93 5.17,94 1.986,95 0.476,96 1.159,97 0.202,98 1.148,99 1.421,100 -0.04,101 -0.054,102 0.989,103 6.134,104 6.2,105 1.32,106 7,107 5.17,108 1.996,109 3.49,110 3.209,111 0.364,112 5.435,113 6.3,114 5.407,115 5.678,116 6.34,117 12.974,118 41.939,119 0.228,120 0.559,121 38.5,122 11,123 2.538,124 4.062,125 1.089,126 0.484,127 0.272,128 0.49,129 0.848,130 0.051,131 0.026,132 0.17,133 0.111,134 1.133,135 12,136 0.236,137 0.579,138 1.483,139 83.879,140 0.253,141 0.173,142 0.741,143 -3.32,144 -3.31,145 -3.17,146 6,147 4.991,148 2.095,149 4.387,150 0.829,151 0.062,152 44.967,153 79.906,154 18,155 3,157 2,158 2,159 4,160 6.987,161 3.291,162 4.029,163 3.064,164 2.952,165 1.025,166 0.974,167 0.017,168 0.037,169 -0.014,170 0.195,171 2.736,172 7.837,173 3.75,174 12.823,175 6.637,176 15.497,177 8.033,178 8.999,179 17.702,180 8.887,181 10.243,182 20.227,183 10.114,184 3.291,185 11.276,186 22.579,187 11.13,188 3.064,189 20.174,190 12.461,191 25.055,192 12.299,193 22.052,194 13.568,195 13.391,196 23.94,197 14.736,198 14.545,199 25.834,200 15.876,201 15.673,202 27.733,203 17.042,204 16.828,205 29.638,206 18.2,207 17.974,208 10.483,209 5.324,210 5.291,211 0.318,212 6.987,213 3.291,214 -0.016,215 0.111,216 1.074,217 8.308,218 3.09,219 3.101,220 1.3,221 9.548,222 123.702,223 6.502,224 4.225,225 4.368,226 3.657,227 3.753,228 5.261,229 3.7,230 4}
{0 CHEMBL1672113,1 0.046,2 38.543,3 42.957,5 2.51,6 2.16,7 1.191,8 1.51,9 3.056,10 1.152,11 1.372,12 0.788,13 0.75,14 1.131,15 0.046,16 0.011,17 -0.031,18 0.124,19 -0.053,20 -0.139,21 -0.039,22 -0.187,23 -0.137,24 -0.127,25 344.567,26 4.285,27 1.191,28 3.056,29 3.193,30 3.281,31 3.029,32 1.694,33 0.84,34 1.524,35 1.422,36 0.626,37 1.458,38 48.887,39 0.329,40 3.562,41 3.359,42 1.483,43 1.429,44 1.681,45 1.692,46 1.389,47 4.299,48 11.984,49 3.275,50 0.58,51 1,52 3.419,53 0.088,54 0.062,55 5.972,56 3.953,57 11.984,58 27.472,59 29.943,60 32.393,61 34.864,62 37.328,63 19.527,64 5.275,65 4.299,66 11.984,67 3.275,68 2,69 3.242,70 2.677,71 1.205,72 3.354,73 0.254,74 26740,75 29.538,76 1,77 1.215,78 0.198,79 0.197,80 0.198,82 5.652,83 1.464,84 3.283,85 10.779,86 5.385,87 8,88 3.317,89 2.369,90 2.997,91 2.001,92 2.509,93 5.35,94 1.991,95 0.476,96 0.968,97 0.241,98 0.757,99 1.464,100 -0.02,101 -0.034,102 0.994,103 6.067,104 6.8,105 1.431,106 5,107 5.35,108 2.001,109 3.555,110 3.12,111 0.5,112 5.3,113 6.165,114 5.232,115 5.492,116 6.175,117 9.687,118 35.786,119 0.237,120 0.585,121 42.4,122 8,123 2.269,124 3.24,125 1.258,126 0.629,127 0.238,128 0.559,129 0.648,130 0.045,131 0.024,132 0.33,133 0.05,134 1.125,135 8,136 0.249,137 0.614,138 1.406,139 62.536,140 0.218,141 0.171,142 0.641,143 -3.44,144 -3.42,145 -3.27,146 7,147 4.74,148 2.213,149 4.897,150 0.806,151 0.06,152 35.23,153 50.015,154 17,155 2,157 1,158 1,159 3,160 7.002,161 3.31,162 3.964,163 3.004,164 2.879,165 0.946,166 0.927,167 0.017,168 0.073,169 -0.005,170 0.194,171 2.732,172 7.842,173 3.733,174 12.808,175 6.621,176 15.489,177 8.044,178 8.985,179 17.686,180 8.866,181 10.249,182 20.216,183 10.108,184 3.31,185 11.263,186 22.569,187 11.108,188 3.004,189 20.141,190 12.458,191 25.052,192 12.286,193 22.015,194 13.558,195 13.373,196 23.898,197 14.732,198 14.533,199 25.79,200 15.872,201 15.662,202 27.687,203 17.043,204 16.822,205 29.591,206 18.203,207 17.973,208 10.51,209 5.367,210 5.31,211 0.309,212 7.002,213 3.31,214 -0.028,215 0.121,216 1.074,217 14.159,218 3.044,219 3.03,220 1.131,221 9.548,222 121.522,223 7.061,224 4.155,225 4.285,226 3.674,227 3.717,228 5.231,229 3.681,230 4.699}
{0 CHEMBL1672114,1 0.055,2 33.641,3 36.473,4 3,5 1.345,6 1.031,7 0.045,8 0.054,9 0.102,10 0.044,11 0.401,12 1.196,13 1.195,14 0.877,15 0.053,16 0.024,17 -0.166,18 -0.103,19 -0.018,20 -0.23,21 0.026,22 -0.288,23 -0.075,24 0.095,25 315.021,26 3.663,27 0.045,28 0.102,29 3.156,30 3.209,31 2.776,32 1.526,33 0.611,34 1.417,35 1.383,36 0.523,37 1.355,38 44.61,39 0.52,40 3.275,41 3.043,42 1.205,43 1.135,44 1.433,45 1.459,46 1.331,47 4.309,48 12.165,49 3.29,50 -0.905,51 0.755,52 3.029,53 0.119,54 0.152,55 5.3,56 3.187,57 12.165,58 27.508,59 30.01,60 32.494,61 34.993,62 37.485,63 19.704,64 5.29,65 4.309,66 12.165,67 3.29,69 2.856,70 2.305,71 1.054,72 3.034,73 -1,74 10137,75 17.078,76 -0.046,78 -1,79 -0.974,80 -1,81 9.674,82 3.924,83 1.411,84 3.334,85 11.118,86 5.197,88 2.754,89 1.64,90 2.344,91 1.356,92 1.792,93 3.573,94 1.33,95 0.477,96 0.974,97 0.223,98 1.387,99 1.411,100 0.155,101 -0.197,102 0.991,103 4.79,104 4.3,105 1.362,106 5,107 3.573,108 1.356,109 3.284,110 2.986,111 0.5,112 5.06,113 6.135,114 5.031,115 5.321,116 5.976,117 11.216,118 28.593,119 0.244,120 0.592,121 40.4,122 7,123 2.133,124 3.391,125 1.163,126 0.587,127 0.248,128 0.395,129 0.626,130 0.061,131 0.035,132 0.33,133 0.24,134 1.127,135 7,136 0.254,137 0.616,138 1.282,139 55.2,140 0.354,141 0.17,142 1.089,143 -3.93,144 -3.88,145 -3.68,146 8,147 4.469,148 2.697,149 7.273,150 0.805,151 0.06,152 30.039,153 48.743,154 14,156 1,159 4,160 7.064,161 3.317,162 3.598,163 2.608,164 2.578,165 1.005,166 0.932,167 0.027,168 0.073,169 -0.228,170 0.198,171 1.736,172 7.554,173 2.269,174 12.597,175 6.355,176 15.298,177 7.755,178 8.694,179 17.563,180 8.634,181 9.944,182 20.122,183 9.875,184 3.317,185 10.995,186 22.53,187 10.919,188 2.608,189 19.923,190 12.194,191 25.045,192 12.109,193 21.82,194 13.322,195 13.229,196 23.726,197 14.508,198 14.406,199 25.641,200 15.672,201 15.562,202 27.561,203 16.859,204 16.74,205 29.488,206 18.039,207 17.912,208 3.916,209 5.349,210 5.317,211 0.163,212 7.064,213 3.317,214 0.211,215 0.12,216 1.225,217 7.877,218 2.887,219 2.918,220 1.019,221 7.696,222 92.27,223 6.648,224 3.899,225 4.029,226 3.341,227 3.448,228 5.004,229 3.395,230 5.252}
{0 CHEMBL1672115,1 0.059,2 37.512,3 41.218,4 2,5 1.626,6 1.403,7 0.418,8 0.476,9 0.955,10 0.409,11 0.5,12 1.136,13 1.122,14 0.931,15 0.052,16 0.008,17 -0.059,18 0.079,19 -0.093,20 -0.208,21 -0.055,22 -0.257,23 -0.026,24 0.01,25 338.564,26 4.297,27 0.418,28 0.955,29 3.175,30 3.257,31 2.79,32 1.561,33 0.661,34 1.513,35 1.407,36 0.598,37 1.449,38 47.687,39 0.51,40 3.393,41 3.1,42 1.273,43 1.21,44 1.552,45 1.547,46 1.338,47 4.276,48 11.895,49 3.256,50 -0.496,51 0.994,52 3.091,53 -0.08,54 -0.11,55 5.873,56 3.291,57 11.895,58 27.256,59 29.739,60 32.199,61 34.677,62 37.147,63 19.415,64 5.256,65 4.276,66 11.895,67 3.256,68 3,69 2.93,70 2.39,71 1.189,72 3.108,73 -1,74 11530,75 19.083,76 -0.012,77 0.137,78 -0.892,79 -0.851,80 -0.892,81 9.326,82 4.165,83 1.391,84 3.369,85 11.352,86 5.32,87 3,88 2.892,89 1.77,90 2.51,91 1.531,92 1.977,93 4.25,94 1.493,95 0.478,96 1.017,97 0.218,98 0.792,99 1.391,100 0.051,101 -0.084,102 0.989,103 5,104 4,105 1.356,106 6,107 4.25,108 1.531,109 3.367,110 3.005,111 0.48,112 5.126,113 6.141,114 5.164,115 5.456,116 6.175,117 11.592,118 29.996,119 0.237,120 0.583,121 40,122 7,123 2.229,124 3.536,125 1.135,126 0.563,127 0.254,128 0.408,129 1.225,130 0.054,131 0.031,132 0.33,133 0.223,134 1.128,135 8,136 0.246,137 0.605,138 1.384,139 56.91,140 0.345,141 0.173,142 1.055,143 -3.89,144 -3.84,145 -3.65,146 7,147 4.583,148 2.656,149 7.056,150 0.812,151 0.096,152 32.302,153 74.291,154 16,155 1,157 1,158 1,159 3,160 6.984,161 3.285,162 3.588,163 2.599,164 2.572,165 1.002,166 0.959,167 0.017,168 0.064,169 0.002,170 0.189,171 2.401,172 7.489,173 3.745,174 12.473,175 6.321,176 15.167,177 7.726,178 8.631,179 17.393,180 8.569,181 9.881,182 19.942,183 9.809,184 3.285,185 10.908,186 22.319,187 10.829,188 2.599,189 19.8,190 12.101,191 24.818,192 12.013,193 21.683,194 13.212,195 13.116,196 23.576,197 14.391,198 14.286,199 25.478,200 15.541,201 15.428,202 27.387,203 16.719,204 16.597,205 29.302,206 17.889,207 17.758,208 6.322,209 5.315,210 5.285,211 0.253,212 6.984,213 3.285,214 0.064,215 0.124,216 1.195,217 8.15,218 3.019,219 3.007,220 1.116,221 7.792,222 96.819,223 6.53,224 3.956,225 4.088,226 3.381,227 3.502,228 5.038,229 3.445,230 4.301}
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