@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1255162 @attribute molecule_id {CHEMBL1257318,CHEMBL1257319,CHEMBL1257549,CHEMBL1257669,CHEMBL1258019,CHEMBL1258020,CHEMBL1258138,CHEMBL1258253,CHEMBL1258367,CHEMBL1258820,CHEMBL1258936} @attribute ATS6m numeric @attribute ATS6s numeric @attribute ATS8s numeric @attribute ATSC2m numeric @attribute Eig05_AEA.dm. numeric @attribute GATS2i numeric @attribute GATS2s numeric @attribute GATS3m numeric @attribute GATS6i numeric @attribute GATS7s numeric @attribute MATS2i numeric @attribute MATS5e numeric @attribute MATS5m numeric @attribute Mv numeric @attribute Psi_e_A numeric @attribute Psi_i_A numeric @attribute SaaCH numeric @attribute SMTIV numeric @attribute SpMin7_Bh.m. numeric @attribute ATS4e numeric @attribute ATSC6m numeric @attribute Eig02_EA.ri. numeric @attribute Eig03_AEA.dm. numeric @attribute Eig14_AEA.ri. numeric @attribute GATS7i numeric @attribute GATS7m numeric @attribute MATS2s numeric @attribute MATS8i numeric @attribute MATS8s numeric @attribute Psi_e_0 numeric @attribute SpMax4_Bh.e. numeric @attribute SpMax4_Bh.i. numeric @attribute SpMax4_Bh.v. numeric @attribute SpMin7_Bh.s. numeric @attribute SpMin8_Bh.e. numeric @attribute SpMin8_Bh.i. numeric @attribute ATSC3e numeric @attribute ATSC4m numeric @attribute MATS3p numeric @attribute ATS3v numeric @attribute ATS4p numeric @attribute ATS4v numeric @attribute ATS5p numeric @attribute ATS6e numeric @attribute ATS6i numeric @attribute ATSC1m numeric @attribute ATSC1v numeric @attribute C.026 numeric @attribute CATS2D_04_AL numeric @attribute CATS2D_04_DL numeric @attribute Eig02_AEA.ri. numeric @attribute Eig07_AEA.dm. numeric @attribute GATS7e numeric @attribute MATS7s numeric @attribute P_VSA_LogP_2 numeric @attribute P_VSA_MR_5 numeric @attribute SM06_EA.ri. numeric @attribute SM07_EA.ri. numeric @attribute SM08_EA.ri. numeric @attribute SM09_EA.ri. numeric @attribute SM10_EA.ri. numeric @attribute SM11_EA.ri. numeric @attribute SM12_EA.ri. numeric @attribute SM13_EA.ri. numeric @attribute SM14_EA.ri. numeric @attribute SM15_EA.ri. numeric @attribute SpAD_EA.ri. numeric @attribute SpMax4_Bh.m. numeric @attribute SpMax4_Bh.p. numeric @attribute SpMin1_Bh.e. numeric @attribute SpMin1_Bh.i. numeric @attribute SpMin1_Bh.p. numeric @attribute SpMin4_Bh.e. numeric @attribute SpMin4_Bh.i. numeric @attribute X1Mad numeric @attribute BLTA96 numeric @attribute BLTD48 numeric @attribute BLTF96 numeric @attribute MLOGP numeric @attribute MLOGP2 numeric @attribute SdssC numeric @attribute ATS2s numeric @attribute ATSC1s numeric @attribute ATSC2e numeric @attribute ATSC3p numeric @attribute ATSC3s numeric @attribute ATSC4p numeric @attribute ATSC4v numeric @attribute ATSC6s numeric @attribute ATSC8i numeric @attribute CATS2D_01_LL numeric @attribute CATS2D_02_LL numeric @attribute CATS2D_03_LL numeric @attribute CATS2D_04_LL numeric @attribute CATS2D_05_AL numeric @attribute CATS2D_06_AL numeric @attribute CATS2D_09_DL numeric @attribute Eig04_AEA.dm. numeric @attribute Eta_alpha_A numeric @attribute Eta_epsi_A numeric @attribute GATS3e numeric @attribute GATS3p numeric @attribute H. numeric @attribute Me numeric @attribute Psi_i_s numeric @attribute SpMax1_Bh.e. numeric @attribute SpMax1_Bh.v. numeric @attribute SpMax2_Bh.m. numeric @attribute SpMin1_Bh.m. numeric @attribute SpMin1_Bh.s. numeric @attribute SpMin1_Bh.v. numeric @attribute SpMin3_Bh.e. numeric @attribute SpMin3_Bh.i. numeric @attribute SsssN numeric @attribute X0Av numeric @attribute ZM1Kup numeric @attribute ZM1MulPer numeric @attribute ATS5e numeric @attribute ATS5i numeric @attribute GATS2m numeric @attribute P_VSA_m_2 numeric @attribute SdO numeric @attribute SpMax7_Bh.s. numeric @attribute SpMin5_Bh.m. numeric @attribute ALOGP numeric @attribute ALOGP2 numeric @attribute GMTIV numeric @attribute AAC numeric @attribute AECC 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 ATS2v numeric @attribute ATS3e numeric @attribute ATS3i numeric @attribute ATS3m numeric @attribute ATS3p numeric @attribute ATS3s numeric @attribute ATS4i numeric @attribute ATS4m numeric @attribute ATS4s numeric @attribute ATS5m numeric @attribute ATS5s numeric @attribute ATS5v numeric @attribute ATS6p 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 ATS8v numeric @attribute ATSC1e numeric @attribute ATSC1i numeric @attribute ATSC1p numeric @attribute ATSC2i numeric @attribute ATSC2p numeric @attribute ATSC2s numeric @attribute ATSC2v numeric @attribute ATSC3i numeric @attribute ATSC3m numeric @attribute ATSC3v numeric @attribute ATSC4e numeric @attribute ATSC4i numeric @attribute ATSC4s 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 ATSC6p 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 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 C. numeric @attribute C.002 numeric @attribute C.003 numeric @attribute C.004 numeric @attribute C.005 numeric @attribute C.006 numeric @attribute C.024 numeric @attribute C.025 numeric @attribute C.040 numeric @attribute C.043 numeric @attribute C.044 numeric @attribute CATS2D_00_DD numeric @attribute CATS2D_00_DP numeric @attribute CATS2D_00_PP numeric @attribute CATS2D_01_AN numeric @attribute CATS2D_01_DN numeric @attribute CATS2D_01_NL numeric @attribute CATS2D_02_AA numeric @attribute CATS2D_02_AL numeric @attribute CATS2D_02_AP numeric @attribute CATS2D_02_DA numeric @attribute CATS2D_02_DL numeric @attribute CATS2D_02_NL numeric @attribute CATS2D_02_PL numeric @attribute CATS2D_03_AA numeric @attribute CATS2D_03_AL numeric @attribute CATS2D_03_DL numeric @attribute CATS2D_03_NL numeric @attribute CATS2D_03_PL numeric @attribute CATS2D_04_AA numeric @attribute CATS2D_04_NL numeric @attribute CATS2D_04_PL numeric @attribute CATS2D_05_AA numeric @attribute CATS2D_05_AP 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_AN numeric @attribute CATS2D_06_DL numeric @attribute CATS2D_06_DN numeric @attribute CATS2D_06_LL numeric @attribute CATS2D_06_PL numeric @attribute CATS2D_06_PN numeric @attribute CATS2D_07_AA numeric @attribute CATS2D_07_AL numeric @attribute CATS2D_07_AN numeric @attribute CATS2D_07_AP numeric @attribute CATS2D_07_DA numeric @attribute CATS2D_07_DD numeric @attribute CATS2D_07_DL numeric @attribute CATS2D_07_DP numeric @attribute CATS2D_07_LL numeric @attribute CATS2D_07_PL numeric @attribute CATS2D_08_AA numeric @attribute CATS2D_08_AL numeric @attribute CATS2D_08_AP numeric @attribute CATS2D_08_DA numeric @attribute CATS2D_08_DL numeric @attribute CATS2D_08_LL numeric @attribute CATS2D_08_PL numeric @attribute CATS2D_09_AA numeric @attribute CATS2D_09_AL numeric @attribute CATS2D_09_AN 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.80 numeric @attribute CSI numeric @attribute DBI numeric @attribute D.Dtr05 numeric @attribute D.Dtr06 numeric @attribute DECC numeric @attribute DELS numeric @attribute DLS_01 numeric @attribute DLS_02 numeric @attribute DLS_03 numeric @attribute DLS_04 numeric @attribute DLS_06 numeric @attribute DLS_cons numeric @attribute Dz numeric @attribute pXC50 numeric @data {1 3.634,2 5.474,3 6.204,4 13.822,5 2.881,6 0.698,7 0.415,8 0.845,9 0.678,10 1.131,11 0.261,12 0.131,13 0.004,14 0.672,15 8.949,16 3.449,17 6.272,18 20366,19 1.17,20 4.947,21 18.222,22 2.777,23 3.212,24 0.366,25 1.054,26 0.909,27 0.367,28 -0.137,29 -0.566,30 10.088,31 3.481,32 3.522,33 3.279,34 0.17,35 0.808,36 0.775,37 1.85,38 42.085,39 -0.05,40 3.993,41 3.98,42 3.981,43 3.797,44 4.451,45 4.681,46 4.487,47 4.059,48 2,51 3.888,52 1.915,53 1.131,54 -0.196,55 9.28,56 34.776,57 8.096,58 9.136,59 10.406,60 11.577,61 12.828,62 14.052,63 15.305,64 16.552,65 17.81,66 19.067,67 41.863,68 3.545,69 3.252,70 1.925,71 1.888,72 2.06,73 1.222,74 1.172,75 11.591,76 -4.69,77 -4.61,78 -4.33,79 3.463,80 11.989,82 6.473,83 97.928,84 1.645,85 11.037,86 335.313,87 13.488,88 11.217,89 186.499,90 1.631,91 4,92 4,93 4,94 4,95 1,98 3.088,99 0.445,100 0.784,101 0.574,102 1.072,103 34.9,104 1.071,105 96.583,106 4.008,107 3.91,108 3.885,109 2.065,110 1.424,111 2.066,112 1.634,113 1.627,114 1.951,115 0.536,116 901.078,117 694.05,118 4.725,119 4.96,120 0.633,121 105.827,123 7.999,124 1.349,125 4.637,126 21.502,127 44205,128 1.944,129 11.286,130 91.245,131 9.963,132 0.367,133 3.91,134 4.002,135 3.71,136 3.421,137 5.183,138 3.443,139 4.536,140 4.672,141 4.296,142 3.84,143 3.865,144 4.81,145 4.978,146 4.392,147 3.996,148 6.509,149 5.133,150 4.579,151 6.957,152 3.945,153 6.128,154 3.735,155 3.615,156 3.538,157 4.547,158 4.76,159 3.864,160 3.526,161 5.958,162 3.56,163 4.608,164 4.827,165 3.81,166 3.375,167 3.466,168 0.475,169 1.208,170 4.756,171 2.434,172 8.011,173 316.919,174 7.179,175 2.135,176 25.049,177 10.656,178 2.779,179 3.349,180 510.531,181 1.539,182 1.597,183 29.783,184 9.622,185 226.286,186 11.337,187 1.032,188 1.237,189 7.948,190 9.954,191 1.584,192 1.625,193 21.772,194 8.135,195 293.162,196 7.464,197 2.198,198 28.432,199 8.16,200 395.445,201 4.936,202 70,203 47,204 0.344,205 0.673,206 0.756,207 0.772,208 0.772,209 0.772,210 3.375,211 0.907,212 39.5,213 2,214 1,217 2,218 4,221 1,230 6,237 5,238 1,244 1,247 1,248 6,252 2,254 2,258 2,265 2,268 2,270 1,272 2,279 1150,280 17.476,281 17.476,282 17.476,283 17.476,284 17.476,285 16.194,286 25.138,287 9.66,288 18.374,289 14.734,290 14.734,291 14.734,292 14.734,293 14.734,294 12.816,295 33.036,296 4.521,297 16.432,298 3.482,299 1.62,300 1.151,301 1.058,302 1.058,303 1.058,304 4.04,305 1,306 657,307 4.583,308 87.962,309 204.433,310 2,311 78.149,312 1,313 1,314 1,315 1,316 1,317 1,318 68.5,319 4.699} {0 CHEMBL1257319,1 3.752,2 5.623,3 6.275,4 16.008,5 3.061,6 0.688,7 0.399,8 0.836,9 0.679,10 1.01,11 0.322,12 0.111,13 0.001,14 0.665,15 8.875,16 3.375,17 7.087,18 24112,19 1.178,20 5.029,21 19.539,22 2.876,23 3.506,24 0.625,25 0.95,26 0.894,27 0.399,28 -0.099,29 -0.429,30 10.826,31 3.491,32 3.531,33 3.287,34 0.176,35 0.84,36 0.795,37 1.751,38 44.785,39 -0.058,40 4.077,41 4.084,42 4.082,43 3.919,44 4.587,45 4.806,46 5.792,47 4.383,48 1,49 2,50 1,51 3.932,52 2.146,53 0.986,54 -0.159,55 42.178,56 67.674,57 8.198,58 9.23,59 10.49,60 11.65,61 12.891,62 14.106,63 15.35,64 16.59,65 17.841,66 19.093,67 45.727,68 3.561,69 3.257,70 1.942,71 1.91,72 2.067,73 1.263,74 1.22,75 12.51,76 -3.53,77 -3.51,78 -3.35,79 2.301,80 5.297,81 -0.58,82 6.512,83 95.444,84 1.63,85 11.497,86 321.399,87 14.096,88 12.346,89 184.156,90 1.707,91 6,92 6,93 4,94 4,95 2,98 3.205,99 0.447,100 0.761,101 0.552,102 1.109,103 36.2,104 1.063,105 101.25,106 4.016,107 3.922,108 3.906,109 2.072,110 1.424,111 2.073,112 1.634,113 1.628,114 1.944,115 0.537,116 888.015,117 708.238,118 4.847,119 5.081,120 0.629,121 137.494,122 11.314,123 7.437,124 1.409,125 3.434,126 11.79,127 51032,128 2.005,129 11.433,130 99.609,131 9.648,132 0.344,133 3.991,134 4.091,135 3.761,136 3.492,137 5.268,138 3.512,139 4.597,140 4.734,141 4.337,142 3.915,143 3.932,144 4.87,145 5.031,146 4.442,147 4.087,148 6.542,149 5.212,150 4.64,151 7.001,152 4.057,153 6.239,154 3.863,155 3.774,156 3.696,157 4.715,158 4.927,159 3.943,160 3.723,161 6.058,162 3.718,163 4.793,164 5.033,165 3.869,166 3.574,167 3.605,168 0.444,169 1.172,170 4.878,171 2.41,172 8.378,173 320.556,174 7.999,175 2.123,176 26.456,177 11.576,178 2.788,179 3.479,180 509.859,181 1.581,182 1.744,183 33.26,184 10.487,185 236.015,186 12.569,187 0.989,188 1.277,189 8.596,190 10.846,191 1.531,192 1.625,193 24.903,194 9.043,195 294.115,196 9.34,197 2.257,198 35.714,199 9.384,200 412.736,201 7.662,202 92,203 50,204 0.346,205 0.696,206 0.784,207 0.814,208 0.814,209 0.814,210 3.44,211 0.903,212 38.3,213 2,214 1,217 2,218 4,219 1,220 1,221 1,223 1,224 1,225 1,230 7,231 1,232 1,233 1,235 1,237 7,238 3,240 2,243 1,244 2,245 1,246 1,247 2,248 6,250 1,252 2,254 4,258 4,263 2,265 3,266 2,268 3,270 1,271 1,272 2,273 1,275 1,277 1,279 1362,280 18.683,281 18.683,282 18.683,283 18.683,284 18.683,285 17.309,286 26.334,287 10.339,288 19.498,289 15.719,290 15.719,291 15.719,292 15.719,293 15.719,294 13.585,295 34.725,296 4.812,297 17.257,298 3.549,299 1.524,300 1.011,301 0.841,302 0.841,303 0.841,304 4.106,305 1,306 709,307 4.899,308 94.661,309 219.186,310 2.004,311 80.077,312 1,313 0.83,314 1,315 1,316 1,317 0.98,318 72.5,319 5.699} {0 CHEMBL1257549,1 3.794,2 5.766,3 6.284,4 14.823,5 3.045,6 0.658,7 0.392,8 0.748,9 0.418,10 0.897,11 0.348,12 0.085,13 -0.014,14 0.673,15 8.942,16 3.442,17 6.815,18 24582,19 1.193,20 5.032,21 21.48,22 2.936,23 3.581,24 0.631,25 0.919,26 0.81,27 0.401,28 -0.054,29 -0.488,30 10.872,31 3.5,32 3.534,33 3.303,34 0.184,35 0.859,36 0.817,37 1.818,38 44.871,39 -0.076,40 4.071,41 4.074,42 4.077,43 3.892,44 4.584,45 4.804,46 5.132,47 4.193,49 5,50 2,51 3.951,52 2.102,53 0.88,54 -0.12,55 9.28,56 34.348,57 8.199,58 9.232,59 10.495,60 11.657,61 12.899,62 14.114,63 15.359,64 16.598,65 17.849,66 19.101,67 45.587,68 3.565,69 3.27,70 1.971,71 1.944,72 2.071,73 1.249,74 1.215,75 12.493,76 -4.75,77 -4.66,78 -4.38,79 3.519,80 12.387,81 -1.064,82 6.534,83 106.171,84 1.702,85 11.547,86 334.409,87 14.426,88 12.395,89 187.008,90 1.694,91 9,92 11,93 9,94 7,95 5,96 5,97 1,98 3.208,99 0.445,100 0.779,101 0.514,102 1.099,103 34.8,104 1.069,105 103.25,106 4.017,107 3.933,108 3.914,109 2.103,110 1.444,111 2.084,112 1.635,113 1.629,114 1.554,115 0.533,116 910.852,117 726.58,118 4.829,119 5.052,120 0.623,121 100.802,122 11.102,123 7.475,124 1.353,125 4.382,126 19.198,127 53184,128 2.017,129 11.433,130 97.809,131 9.879,132 0.344,133 3.977,134 4.061,135 3.763,136 3.477,137 5.275,138 3.504,139 4.583,140 4.709,141 4.345,142 3.898,143 3.924,144 4.852,145 5.006,146 4.441,147 4.074,148 6.538,149 5.211,150 4.64,151 7.008,152 4.058,153 6.243,154 3.847,155 3.714,156 3.645,157 4.604,158 4.786,159 3.934,160 3.65,161 5.964,162 3.665,163 4.746,164 4.967,165 3.866,166 3.524,167 3.58,168 0.51,169 1.138,170 4.953,171 2.384,172 8.184,173 335.181,174 7.541,175 2.091,176 23.535,177 11.523,178 2.919,179 3.471,180 537.423,181 1.681,182 1.717,183 31.557,184 10.427,185 254.755,186 12.029,187 1.189,188 1.122,189 7.828,190 10.105,191 1.4,192 1.479,193 19.81,194 8.288,195 269.111,196 8.337,197 2.39,198 33.641,199 9.164,200 434.323,201 6.655,202 92,203 50,204 0.35,205 0.688,206 0.786,207 0.816,208 0.816,209 0.816,210 3.44,211 0.897,212 39.1,213 2,214 1,217 2,218 4,219 2,220 1,222 1,226 1,227 1,228 1,229 1,230 5,232 1,233 1,234 2,237 3,238 3,239 2,242 2,246 1,247 2,248 3,249 2,252 2,254 1,258 3,259 1,263 2,265 2,267 1,268 2,270 1,271 1,272 2,275 1,276 1,277 1,278 1,279 1362,280 18.683,281 18.683,282 18.683,283 18.683,284 18.683,285 17.309,286 25.788,287 10.339,288 19.531,289 15.719,290 15.719,291 15.719,292 15.719,293 15.719,294 13.585,295 34.472,296 4.812,297 17.314,298 3.507,299 1.558,300 0.989,301 0.815,302 0.815,303 0.815,304 4.106,305 1,306 709,307 4.899,308 94.661,309 219.186,310 2.004,311 82.921,312 1,313 0.83,314 1,315 1,316 1,317 0.98,318 73,319 6.638} {0 CHEMBL1257669,1 3.79,2 5.748,3 6.275,4 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