@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4752

@attribute molecule_id {CHEMBL1765145,CHEMBL1765146,CHEMBL1765147,CHEMBL1765148,CHEMBL1765149,CHEMBL1765150,CHEMBL2096957,CHEMBL2326220,CHEMBL2326221,CHEMBL2326222,CHEMBL2326223,CHEMBL2326224,CHEMBL2326225,CHEMBL2326226,CHEMBL2326227,CHEMBL2326228,CHEMBL2326229,CHEMBL2326230,CHEMBL2326231,CHEMBL2326232,CHEMBL2326233,CHEMBL2326234,CHEMBL2326235,CHEMBL2326236,CHEMBL2326237,CHEMBL2326238,CHEMBL258540,CHEMBL258541,CHEMBL259192,CHEMBL259786,CHEMBL260601,CHEMBL261432,CHEMBL261473,CHEMBL261562,CHEMBL262598,CHEMBL405827,CHEMBL406087,CHEMBL407221,CHEMBL408745,CHEMBL409012,CHEMBL55264,CHEMBL923}
@attribute GATS4p numeric
@attribute MATS4i numeric
@attribute ATSC2s numeric
@attribute JGI7 numeric
@attribute ATSC5e numeric
@attribute ATSC5s 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 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 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 C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 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.024 numeric
@attribute C.025 numeric
@attribute C.027 numeric
@attribute CATS2D_01_DA numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_DN numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_NL numeric
@attribute CATS2D_02_PL numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DD numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_DN numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_NL numeric
@attribute CATS2D_03_PL numeric
@attribute CATS2D_03_PN numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_AN numeric
@attribute CATS2D_04_AP numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DD numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_DP numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_NL numeric
@attribute CATS2D_04_PL numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_AN numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_05_NL numeric
@attribute CATS2D_05_PL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_NL numeric
@attribute CATS2D_06_PL numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_NL numeric
@attribute CATS2D_07_PL numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_NL numeric
@attribute CATS2D_08_PL numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_LL numeric
@attribute CATS2D_09_NL numeric
@attribute CENT numeric
@attribute Chi0_AEA.bo. numeric
@attribute Chi0_AEA.dm. numeric
@attribute Chi0_AEA.ed. numeric
@attribute Chi0_AEA.ri. numeric
@attribute Chi0_EA numeric
@attribute Chi0_EA.bo. numeric
@attribute Chi0_EA.dm. numeric
@attribute Chi0_EA.ed. numeric
@attribute Chi0_EA.ri. numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute Chi1_EA.bo. numeric
@attribute Chi1_EA.dm. numeric
@attribute Chi1_EA.ed. numeric
@attribute Chi1_EA.ri. numeric
@attribute CIC0 numeric
@attribute CIC1 numeric
@attribute CIC2 numeric
@attribute CIC3 numeric
@attribute CIC4 numeric
@attribute CIC5 numeric
@attribute CID numeric
@attribute CMC.50 numeric
@attribute CMC.80 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr05 numeric
@attribute pXC50 numeric

@data
{1 0.843,2 0.083,3 152.662,4 0.019,5 0.854,6 150.963,7 1.873,8 7.667,9 -1.439,10 2.07,11 65.204,12 8.945,13 0.333,14 3.582,15 3.681,16 3.65,17 3.208,18 4.721,19 3.071,20 4.109,21 4.216,22 3.827,23 3.584,24 5.94,25 3.399,26 4.42,27 4.6,28 3.907,29 3.62,30 5.616,31 3.476,32 4.545,33 4.733,34 3.752,35 3.476,36 6.436,37 3.346,38 4.327,39 4.567,40 3.175,41 3.308,42 5.519,43 3.121,44 4.095,45 4.324,46 3.224,47 3.232,48 5.295,49 3.023,50 3.886,51 4.093,52 3.408,53 3.227,54 5.294,55 3.021,56 3.916,57 4.048,58 3.228,59 3.005,60 5.556,61 2.911,62 0.379,63 0.466,64 11.653,65 4.841,66 63.782,67 3.591,68 0.795,69 0.706,70 20.194,71 8.836,72 6.429,73 0.899,74 0.827,75 28.888,76 9.02,77 164.372,78 7.963,79 1.657,80 0.765,81 30.491,82 8.802,83 274.686,84 8.38,85 0.632,86 25.588,87 7.31,88 6.906,89 0.587,90 0.525,91 17.416,92 6.143,93 108.552,94 6.035,95 0.332,96 0.49,97 16.985,98 6.735,99 47.8,100 5.642,101 0.551,102 0.411,103 15.671,104 5.448,105 87.512,106 3.96,107 45,108 26,109 0.357,110 0.645,111 0.717,112 0.761,113 0.776,114 0.776,115 2.959,116 1.404,117 -0.89,118 -1,119 -1.1,120 27.3,125 2,127 1,130 5,131 1,134 6,137 1,139 6,145 2,146 6,147 3,154 6,155 8,156 2,165 1,167 2,170 2,172 4,174 4,176 4,177 8,179 4,181 4,182 8,184 2,186 2,187 4,190 364,191 10.911,192 10.911,193 10.911,194 10.911,195 10.911,196 9.772,197 8.131,198 6.432,199 10.967,200 8.899,201 8.899,202 8.899,203 8.899,204 8.899,205 7.17,206 10.848,207 3.059,208 8.981,209 3.171,210 1.661,211 1.284,212 1.053,213 0.97,214 0.97,215 3.577,218 267,219 4.301,221 6}
{0 CHEMBL1765146,1 0.837,2 0.071,3 163.473,4 0.014,5 0.686,6 121.091,7 1.641,8 10.85,9 0.587,10 0.345,11 77.47,12 7.05,14 3.877,15 4.01,16 3.701,17 3.411,18 4.811,19 3.248,20 4.483,21 4.67,22 3.845,23 3.795,24 6.004,25 3.56,26 4.82,27 5.086,28 3.933,29 3.86,30 5.75,31 3.65,32 4.879,33 5.127,34 3.826,35 3.782,36 6.499,37 3.59,38 4.745,39 5.036,40 3.315,41 3.671,42 5.692,43 3.428,44 4.591,45 4.883,46 3.236,47 3.576,48 5.49,49 3.318,50 4.503,51 4.79,52 3.181,53 3.485,54 5.438,55 3.23,56 4.406,57 4.688,58 3.123,59 3.385,60 5.384,61 3.133,62 0.287,63 0.6,64 18.925,65 5.984,66 50.199,67 6.389,68 0.79,69 0.89,70 30.737,71 11.035,72 10.633,73 0.77,74 0.994,75 43.008,76 10.48,77 135.927,78 12.867,79 1.731,80 0.929,81 40.317,82 10.492,83 293.036,84 12.507,85 0.833,86 33.9,87 9.261,88 11.35,89 0.501,90 0.743,91 29.303,92 8.667,93 93.615,94 10.299,95 0.481,96 0.672,97 27.291,98 7.943,99 89.672,100 9.266,101 0.461,102 0.601,103 25.278,104 7.22,105 85.728,106 8.233,107 78,108 25,109 0.294,110 0.462,111 0.622,112 0.725,113 0.795,114 0.832,115 3.054,116 1.637,117 -2.67,118 -2.69,119 -2.61,120 23.4,121 1,122 7,125 2,127 1,134 7,137 1,139 6,145 1,146 6,147 5,154 6,155 8,156 1,158 4,165 1,166 3,167 2,170 2,172 5,173 2,174 2,176 2,177 5,178 1,179 2,181 2,182 5,184 2,186 2,187 5,189 2,190 552,191 12.3,192 12.3,193 12.3,194 12.3,195 12.3,196 11.913,197 6.325,198 7.814,199 12.365,200 9.381,201 9.381,202 9.381,203 9.381,204 9.381,205 8.696,206 7.5,207 3.733,208 9.473,209 3.914,210 2.974,211 2.078,212 1.505,213 1.112,214 0.91,215 3.66,217 1,218 402,219 5,221 6.367}
{0 CHEMBL1765147,1 0.84,2 0.068,3 163.161,4 0.013,5 0.66,6 116.55,7 1.616,8 11.619,9 1.044,10 1.089,11 82.071,12 6.907,14 3.935,15 4.07,16 3.73,17 3.468,18 4.853,19 3.305,20 4.545,21 4.736,22 3.873,23 3.853,24 6.027,25 3.619,26 4.885,27 5.156,28 3.96,29 3.924,30 5.789,31 3.709,32 4.94,33 5.194,34 3.855,35 3.85,36 6.517,37 3.653,38 4.815,39 5.109,40 3.364,41 3.747,42 5.733,43 3.501,44 4.672,45 4.967,46 3.288,47 3.659,48 5.54,49 3.399,50 4.591,51 4.883,52 3.236,53 3.576,54 5.49,55 3.318,56 4.503,57 4.79,58 3.181,59 3.485,60 5.438,61 3.23,62 0.275,63 0.64,64 19.896,65 6.313,66 48.245,67 6.882,68 0.783,69 0.953,70 32.174,71 11.587,72 11.436,73 0.742,74 1.072,75 44.867,76 11.15,77 130.815,78 13.874,79 1.737,80 1.007,81 42.073,82 11.169,83 294.256,84 13.502,85 0.91,86 35.492,87 9.942,88 12.346,89 0.481,90 0.819,91 30.955,92 9.351,93 90.222,94 11.297,95 0.464,96 0.748,97 28.975,98 8.63,99 86.738,100 10.268,101 0.446,102 0.677,103 26.996,104 7.909,105 83.253,106 9.239,107 79,108 26,109 0.285,110 0.445,111 0.599,112 0.7,113 0.774,114 0.823,115 3.099,116 1.63,117 -2.95,118 -2.95,119 -2.85,120 24,121 1,122 8,125 2,127 1,134 8,137 1,139 7,145 1,146 6,147 6,154 6,155 8,156 1,158 5,165 1,166 4,167 2,170 2,172 5,173 3,174 2,176 2,177 5,178 2,179 2,181 2,182 5,183 1,184 2,186 2,187 5,189 2,190 640,191 13.007,192 13.007,193 13.007,194 13.007,195 13.007,196 12.62,197 6.325,198 8.314,199 13.072,200 9.881,201 9.881,202 9.881,203 9.881,204 9.881,205 9.196,206 7.5,207 3.983,208 9.973,209 4.028,210 3.121,211 2.245,212 1.675,213 1.255,214 0.975,215 3.71,217 1,218 454,219 5.099,221 6}
{0 CHEMBL1765148,1 0.844,2 0.066,3 162.773,4 0.013,5 0.635,6 112.272,7 1.592,8 12.409,9 1.5,10 2.249,11 86.672,12 6.781,14 3.99,15 4.127,16 3.757,17 3.521,18 4.893,19 3.36,20 4.603,21 4.798,22 3.901,23 3.908,24 6.049,25 3.674,26 4.946,27 5.221,28 3.985,29 3.983,30 5.825,31 3.764,32 4.998,33 5.256,34 3.884,35 3.914,36 6.535,37 3.711,38 4.88,39 5.177,40 3.41,41 3.818,42 5.772,43 3.569,44 4.747,45 5.045,46 3.338,47 3.736,48 5.587,49 3.474,50 4.672,51 4.967,52 3.288,53 3.659,54 5.54,55 3.399,56 4.591,57 4.883,58 3.236,59 3.576,60 5.49,61 3.318,62 0.263,63 0.68,64 20.843,65 6.644,66 46.419,67 7.373,68 0.776,69 1.016,70 33.59,71 12.138,72 12.237,73 0.716,74 1.15,75 46.681,76 11.822,77 126.05,78 14.876,79 1.741,80 1.085,81 43.798,82 11.846,83 295.201,84 14.493,85 0.987,86 37.068,87 10.622,88 13.34,89 0.463,90 0.895,91 32.585,92 10.035,93 86.976,94 12.291,95 0.447,96 0.824,97 30.635,98 9.316,99 83.875,100 11.266,101 0.432,102 0.752,103 28.685,104 8.598,105 80.774,106 10.24,107 82,108 27,109 0.277,110 0.429,111 0.577,112 0.675,113 0.75,114 0.811,115 3.143,116 1.624,117 -3.22,118 -3.21,119 -3.08,120 24.5,121 1,122 9,125 2,127 1,134 9,137 1,139 8,145 1,146 6,147 7,154 6,155 8,156 1,158 6,165 1,166 5,167 2,170 2,172 5,173 4,174 2,176 2,177 5,178 3,179 2,181 2,182 5,183 2,184 2,186 2,187 5,188 1,189 2,190 728,191 13.714,192 13.714,193 13.714,194 13.714,195 13.714,196 13.327,197 6.325,198 8.814,199 13.779,200 10.381,201 10.381,202 10.381,203 10.381,204 10.381,205 9.696,206 7.5,207 4.233,208 10.473,209 4.136,210 3.259,211 2.405,212 1.843,213 1.41,214 1.062,215 3.758,216 1,217 1,218 510,219 5.196,221 6.068}
{0 CHEMBL1765149,1 0.847,2 0.063,3 162.335,4 0.012,5 0.612,6 108.253,7 1.57,8 13.174,9 1.956,10 3.826,11 91.273,12 6.668,14 4.042,15 4.181,16 3.784,17 3.572,18 4.932,19 3.411,20 4.658,21 4.857,22 3.928,23 3.96,24 6.07,25 3.727,26 5.003,27 5.282,28 4.011,29 4.039,30 5.861,31 3.817,32 5.052,33 5.315,34 3.911,35 3.974,36 6.553,37 3.767,38 4.941,39 5.241,40 3.454,41 3.884,42 5.809,43 3.632,44 4.817,45 5.118,46 3.385,47 3.807,48 5.631,49 3.544,50 4.747,51 5.045,52 3.338,53 3.736,54 5.587,55 3.474,56 4.672,57 4.967,58 3.288,59 3.659,60 5.54,61 3.399,62 0.253,63 0.719,64 21.77,65 6.976,66 44.715,67 7.864,68 0.77,69 1.08,70 34.988,71 12.69,72 13.036,73 0.692,74 1.227,75 48.459,76 12.495,77 121.61,78 15.874,79 1.744,80 1.163,81 45.497,82 12.524,83 295.935,84 15.481,85 1.064,86 38.633,87 11.303,88 14.329,89 0.445,90 0.972,91 34.199,92 10.718,93 83.889,94 13.282,95 0.431,96 0.9,97 32.275,98 10.002,99 81.111,100 12.26,101 0.417,102 0.828,103 30.351,104 9.285,105 78.333,106 11.238,107 83,108 28,109 0.269,110 0.414,111 0.557,112 0.652,113 0.727,114 0.791,115 3.185,116 1.618,117 -3.48,118 -3.46,119 -3.31,120 25,121 1,122 10,125 2,127 1,134 10,137 1,139 9,145 1,146 6,147 8,154 6,155 8,156 1,158 7,165 1,166 6,167 2,170 2,172 5,173 5,174 2,176 2,177 5,178 4,179 2,181 2,182 5,183 3,184 2,186 2,187 5,188 2,189 2,190 838,191 14.421,192 14.421,193 14.421,194 14.421,195 14.421,196 14.034,197 6.325,198 9.314,199 14.486,200 10.881,201 10.881,202 10.881,203 10.881,204 10.881,205 10.196,206 7.5,207 4.483,208 10.973,209 4.237,210 3.39,211 2.557,212 2.005,213 1.567,214 1.192,215 3.804,217 1,218 568,219 5.292,221 6.091}
{0 CHEMBL1765150,1 0.853,2 0.058,3 161.383,4 0.01,5 0.603,6 100.948,7 1.531,8 14.72,9 2.868,10 8.228,11 100.475,12 6.475,14 4.138,15 4.28,16 3.836,17 3.666,18 5.005,19 3.507,20 4.76,21 4.964,22 3.979,23 4.057,24 6.112,25 3.824,26 5.109,27 5.394,28 4.059,29 4.143,30 5.928,31 3.915,32 5.153,33 5.424,34 3.965,35 4.084,36 6.587,37 3.869,38 5.054,39 5.357,40 3.537,41 4.004,42 5.88,43 3.749,44 4.943,45 5.249,46 3.474,47 3.936,48 5.716,49 3.67,50 4.882,51 5.185,52 3.43,53 3.874,54 5.674,55 3.609,56 4.817,57 5.118,58 3.385,59 3.807,60 5.631,61 3.544,62 0.248,63 0.798,64 23.575,65 7.642,66 41.642,67 8.843,68 0.794,69 1.206,70 37.739,71 13.794,72 14.63,73 0.684,74 1.382,75 51.926,76 13.843,77 113.617,78 17.861,79 1.771,80 1.318,81 48.833,82 13.881,83 296.953,84 17.451,85 1.219,86 41.734,87 12.665,88 16.302,89 0.445,90 1.124,91 37.386,92 12.085,93 78.199,94 15.255,95 0.433,96 1.052,97 35.507,98 11.372,99 75.933,100 14.239,101 0.42,102 0.98,103 33.627,104 10.659,105 73.666,106 13.222,107 87,108 30,109 0.256,110 0.389,111 0.521,112 0.61,113 0.682,114 0.748,115 3.264,116 1.608,117 -3.99,118 -3.94,119 -3.74,120 25.8,121 1,122 12,125 2,127 1,134 12,137 1,139 11,145 1,146 6,147 10,154 6,155 8,156 1,158 9,165 1,166 8,167 2,170 2,172 5,173 7,174 2,176 2,177 5,178 6,179 2,181 2,182 5,183 5,184 2,186 2,187 5,188 4,189 2,190 1082,191 15.835,192 15.835,193 15.835,194 15.835,195 15.835,196 15.448,197 6.325,198 10.314,199 15.9,200 11.881,201 11.881,202 11.881,203 11.881,204 11.881,205 11.196,206 7.5,207 4.983,208 11.973,209 4.424,210 3.629,211 2.839,212 2.31,213 1.875,214 1.48,215 3.889,217 1,218 694,219 5.477,221 6}
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