@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL287 @attribute molecule_id 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@attribute GGI10 numeric @attribute JGI10 numeric @attribute DECC numeric @attribute BIC5 numeric @attribute SIC5 numeric @attribute SsssN numeric @attribute GGI9 numeric @attribute SpMin4_Bh.s. numeric @attribute ATS8m numeric @attribute SpMax2_Bh.i. numeric @attribute ATS8s numeric @attribute CIC5 numeric @attribute X5Av numeric @attribute X4Av numeric @attribute Uindex numeric @attribute JGI9 numeric @attribute ATS8p numeric @attribute SpMin5_Bh.s. numeric @attribute SpMax2_Bh.e. numeric @attribute ATSC6s numeric @attribute ATS7m numeric @attribute piPC06 numeric @attribute BLTA96 numeric @attribute BLTD48 numeric @attribute BLTF96 numeric @attribute MLOGP numeric @attribute MLOGP2 numeric @attribute GGI5 numeric @attribute C.006 numeric @attribute S2K numeric @attribute PJI2 numeric @attribute HVcpx numeric @attribute S3K numeric @attribute ALOGP numeric @attribute ALOGP2 numeric @attribute nCsp3 numeric @attribute Eig01_EA.ed. numeric @attribute SM10_AEA.dm. numeric @attribute SpMax_EA.ed. numeric @attribute S1K numeric @attribute SAdon numeric @attribute RBN numeric @attribute ATS7v numeric @attribute ECC numeric @attribute X0Av numeric @attribute RBF numeric @attribute ATSC8m numeric @attribute SIC4 numeric @attribute SaaaC numeric @attribute Eta_C_A numeric @attribute piPC10 numeric @attribute ATS7p numeric @attribute MATS6v numeric @attribute BIC4 numeric @attribute CSI numeric @attribute UNIP numeric @attribute X0v numeric @attribute SpMAD_EA.bo. numeric @attribute H.050 numeric @attribute nHDon numeric @attribute GATS3v numeric @attribute CIC4 numeric @attribute SM15_EA.ed. numeric @attribute SM12_EA.ed. numeric @attribute ATSC8p numeric @attribute ATS8e numeric @attribute P_VSA_LogP_5 numeric @attribute VvdwMG numeric @attribute Vx numeric @attribute SM13_EA.ed. numeric @attribute IC1 numeric @attribute C.008 numeric @attribute X2Av numeric @attribute GGI3 numeric @attribute LLS_01 numeric @attribute X3Av numeric @attribute SpMin6_Bh.s. numeric @attribute ATSC8v numeric @attribute ATS8v numeric @attribute IDE numeric @attribute Eig02_AEA.ed. numeric @attribute SpMin2_Bh.s. numeric @attribute IC2 numeric @attribute C.034 numeric @attribute SpMax3_Bh.m. numeric @attribute ATSC5s numeric @attribute CIC1 numeric @attribute VvdwZAZ numeric @attribute AAC numeric @attribute IC0 numeric @attribute TPSA.NO. numeric @attribute ON1V numeric @attribute ICR numeric @attribute ATSC7s numeric @attribute D.Dtr10 numeric @attribute P_VSA_p_1 numeric @attribute P_VSA_LogP_7 numeric @attribute AECC numeric @attribute C.002 numeric @attribute SM14_EA.ed. numeric @attribute Eig02_EA.ed. numeric @attribute SM11_AEA.dm. numeric @attribute Yindex numeric @attribute MATS8m numeric @attribute Eta_sh_y numeric @attribute SM06_AEA.ed. numeric @attribute GGI8 numeric @attribute ATS7s numeric @attribute MSD numeric @attribute SpMax6_Bh.s. numeric @attribute SpMaxA_AEA.ed. numeric @attribute Eta_FL_A numeric @attribute IAC numeric @attribute TIC0 numeric @attribute CATS2D_09_LL numeric @attribute MATS3v numeric @attribute SIC3 numeric @attribute IDET numeric @attribute nN numeric @attribute IDDE numeric @attribute SpMaxA_AEA.ri. numeric @attribute Vindex numeric @attribute IDMT numeric @attribute SpMin3_Bh.m. numeric @attribute Xu numeric @attribute SpMaxA_EA.ri. numeric @attribute SpMax7_Bh.s. numeric @attribute ON0 numeric @attribute SM14_AEA.ed. numeric @attribute P_VSA_s_2 numeric @attribute P_VSA_MR_1 numeric @attribute VAR numeric @attribute AMR numeric @attribute P_VSA_e_1 numeric @attribute P_VSA_m_1 numeric @attribute P_VSA_v_1 numeric @attribute SM09_EA.bo. numeric @attribute piPC09 numeric @attribute N.068 numeric @attribute GATS6v numeric @attribute BIC3 numeric @attribute SpMax1_Bh.v. numeric @attribute SssCH2 numeric @attribute GATS8v numeric @attribute SpMaxA_EA numeric @attribute ATS2i numeric @attribute MATS8v numeric @attribute SssO numeric @attribute Eta_alpha_A numeric @attribute PHI numeric @attribute nRNR2 numeric @attribute O.060 numeric @attribute ATSC3m numeric @attribute JGI3 numeric @attribute X0sol numeric @attribute SM07_EA.bo. numeric @attribute JGI8 numeric @attribute Eig07_EA.ed. numeric @attribute SM02_AEA.ri. numeric @attribute nArOR numeric @attribute SpMin6_Bh.p. numeric @attribute ATSC7m numeric @attribute SM10_EA.bo. numeric @attribute X5A numeric @attribute PW5 numeric @attribute ATS8i numeric @attribute ATSC8e numeric @attribute SMTIV numeric @attribute SpMax1_Bh.e. numeric @attribute SpMin6_Bh.e. numeric @attribute SMTI numeric @attribute BLI numeric @attribute X1Av numeric @attribute P_VSA_s_3 numeric @attribute GMTI numeric @attribute PW4 numeric @attribute SpMin5_Bh.m. numeric @attribute SpDiam_EA.dm. numeric @attribute MATS8p numeric @attribute CIC3 numeric @attribute Eig01_AEA.ed. numeric @attribute SpMax_AEA.ed. numeric @attribute SpMax7_Bh.m. numeric @attribute Hypnotic.80 numeric @attribute NaasC numeric @attribute Eig08_EA.ed. numeric @attribute SM03_AEA.ri. numeric @attribute GATS6m numeric @attribute NssO numeric @attribute TIC3 numeric @attribute TIC4 numeric @attribute SM10_AEA.ed. numeric @attribute Eta_epsi numeric @attribute MDDD numeric @attribute SpDiam_AEA.ri. numeric @attribute SM08_AEA.bo. numeric @attribute SpMin4_Bh.e. numeric @attribute SM09_AEA.ed. numeric @attribute SpMax5_Bh.p. numeric @attribute P_VSA_m_2 numeric @attribute ATS1e numeric @attribute P_VSA_i_3 numeric @attribute MW numeric @attribute SpMin6_Bh.i. numeric @attribute piID numeric @attribute LPRS numeric @attribute Sp numeric @attribute SM11_AEA.ed. numeric @attribute ATS3i numeric @attribute CATS2D_08_LL numeric @attribute Eta_L_A numeric @attribute Sv numeric @attribute Eig02_AEA.bo. numeric @attribute SpMin6_Bh.v. numeric @attribute X0 numeric @attribute MWC10 numeric @attribute PCR numeric @attribute TIC5 numeric @attribute SpMaxA_AEA.bo. numeric @attribute Se numeric @attribute ATS1i numeric @attribute Eig01_EA.dm. numeric @attribute SpMax_EA.dm. numeric @attribute nHAcc numeric @attribute P_VSA_v_2 numeric @attribute P_VSA_i_4 numeric @attribute RDCHI numeric @attribute IC5 numeric @attribute Eta_betaP_A numeric @attribute Eta_betaS numeric @attribute SM15_EA numeric @attribute ATS6m numeric @attribute Eta_alpha numeric @attribute IC4 numeric @attribute Eig08_AEA.ri. numeric @attribute HDcpx numeric @attribute ATS6v numeric @attribute SAtot numeric @attribute SpMax8_Bh.s. numeric @attribute ATSC3v numeric @attribute SpMax6_Bh.e. numeric @attribute XMOD numeric @attribute RFD numeric @attribute TWC numeric @attribute SM14_EA numeric @attribute GGI4 numeric @attribute SM08_AEA.ed. numeric @attribute TPSA.Tot. numeric @attribute SpMax7_Bh.p. numeric @attribute CENT numeric @attribute SpMAD_AEA.bo. numeric @attribute SpMax4_Bh.i. numeric @attribute SM05_AEA.ed. numeric @attribute ISIZ numeric @attribute nAT numeric @attribute GATS8p numeric @attribute SM15_EA.ri. numeric @attribute SpMin6_Bh.m. numeric @attribute SpMin7_Bh.p. numeric @attribute SpMax5_Bh.m. numeric @attribute Eta_L numeric @attribute ATSC1p numeric @attribute SM05_EA.bo. numeric @attribute P_VSA_LogP_2 numeric @attribute SM10_EA numeric @attribute SpMin8_Bh.s. numeric @attribute nR09 numeric @attribute MWC09 numeric @attribute SpMax4_Bh.e. numeric @attribute SAacc numeric @attribute SM06_EA numeric @attribute GGI7 numeric @attribute TIC2 numeric @attribute Eig14_EA numeric @attribute SM08_AEA.dm. numeric @attribute SM07_AEA.ed. numeric @attribute SpMin2_Bh.v. numeric @attribute SpDiam_AEA.ed. numeric @attribute nH numeric @attribute Eig02_EA.bo. numeric @attribute SM12_AEA.ri. numeric @attribute SpMax8_Bh.m. numeric @attribute Eig14_EA.bo. numeric @attribute SpMin7_Bh.i. numeric @attribute SM15_AEA.ed. numeric @attribute Eig14_AEA.ri. numeric @attribute Eig07_AEA.dm. numeric @attribute LOC numeric @attribute Chi1_EA.ed. numeric @attribute SpAD_AEA.bo. numeric @attribute NssCH2 numeric @attribute SpMax7_Bh.v. numeric @attribute SM13_EA numeric @attribute SpMax4_Bh.p. numeric @attribute TIC1 numeric @attribute Eig01_EA.bo. numeric @attribute SM11_AEA.ri. numeric @attribute SpMax_EA.bo. numeric @attribute SpMax3_Bh.e. numeric @attribute MATS6p numeric @attribute SpMin4_Bh.v. numeric @attribute Eig08_AEA.dm. numeric @attribute SpMin4_Bh.i. numeric @attribute SpMax3_Bh.i. numeric @attribute SM11_EA.ed. numeric @attribute SPI numeric @attribute GATS8i numeric @attribute Chi0_EA.dm. numeric @attribute SpMin2_Bh.p. numeric @attribute MAXDN numeric @attribute ATS6p numeric @attribute ON0V numeric @attribute nCb. numeric @attribute Eig15_AEA.ri. numeric @attribute Eig14_EA.ri. numeric @attribute CATS2D_04_DL numeric @attribute piPC07 numeric @attribute SpMAD_AEA.ed. numeric @attribute GATS8m numeric @attribute Eta_betaS_A numeric @attribute SpMax7_Bh.i. numeric @attribute nBT numeric @attribute SM12_EA numeric @attribute SM04_AEA.ed. numeric @attribute SM04_EA.ed. numeric @attribute Chi0_EA.ed. numeric @attribute RDSQ numeric @attribute SM08_EA.ed. numeric @attribute ATS1m numeric @attribute SpMin3_Bh.p. numeric @attribute Eig15_EA.bo. numeric @attribute MCD numeric @attribute SpMin5_Bh.p. numeric @attribute ATSC8i numeric @attribute Eig15_EA.ri. numeric @attribute ON1 numeric @attribute SpDiam_EA.bo. numeric @attribute C.005 numeric @attribute SM11_EA numeric @attribute piPC08 numeric @attribute Eig15_EA numeric @attribute SM09_AEA.dm. numeric @attribute pXC50 numeric @data {1 0.066,2 0.008,3 1.5,4 0.866,5 0.905,6 2.63,7 0.123,8 0.926,9 3.145,10 3.928,11 5.179,12 0.531,13 0.036,14 0.064,15 33.756,16 0.01,17 3.6,18 0.838,19 3.898,20 52.164,21 3.362,22 5.8,23 -5.78,24 -5.64,25 -5.25,26 4.546,27 20.662,28 0.889,29 2,30 5.872,31 1,32 3.11,33 2.521,34 5.131,35 26.324,36 9,37 15.015,38 15.015,39 15.015,40 16.136,41 42.683,42 2,43 3.649,44 216,45 0.627,46 0.039,47 22.225,48 0.905,50 1.085,51 6.864,52 3.863,53 -0.116,54 0.866,55 475,56 76,57 15.053,58 1.86,59 1,60 1,61 1.069,62 0.531,63 40.638,64 32.52,65 8.403,66 4.434,67 16.182,68 184.195,69 441.196,70 35.222,71 3.292,72 1,73 0.195,74 2.625,75 0.67,76 0.115,77 0.596,78 11.735,79 3.386,80 3.244,81 6.526,82 1.159,83 4.488,85 3.697,86 43.539,87 2.293,88 319.78,89 1.371,90 1.371,91 23.47,92 3.061,93 2.752,94 37.999,95 79.159,96 270.735,97 270.735,98 9,99 2,100 37.931,101 9.918,102 9.918,103 0.685,104 0.051,105 0.326,106 13.069,107 0.185,108 5.525,109 5.193,110 3.928,111 0.295,112 0.2,113 65.8,114 65.8,115 7,116 -0.092,117 0.884,118 895.325,119 1,120 3.657,121 0.173,122 0.233,123 9832.35,124 1.827,125 22.797,126 0.135,127 3.793,128 12.417,129 29.129,130 270.735,131 211.88,132 80,133 99.811,134 270.735,135 270.735,136 270.735,137 13.302,138 6.66,139 1,140 1.08,141 0.847,142 4.026,143 4.172,144 0.918,145 0.136,146 4.72,147 0.08,149 0.498,150 3.948,151 1,153 32.363,154 0.056,155 17.397,156 10.464,157 0.012,158 3.991,159 3.991,161 1.344,162 28.531,163 14.825,164 0.064,165 0.114,166 4.728,167 0.13,168 8532,169 4.096,170 1.115,171 5580,172 1.019,173 0.34,174 22.338,175 5847,176 0.2,177 1.623,178 1.605,179 0.06,180 0.646,181 7.953,182 7.953,183 2.896,185 5,186 3.052,187 3.052,188 1.236,190 237.059,191 242.568,192 20.983,193 25.852,194 18.833,195 5.716,196 13.101,197 1.362,198 18.974,199 3.147,200 109.446,201 3.951,202 352.567,203 341.91,204 1.045,205 9.74,206 110.939,207 32.455,208 23.006,209 5.107,210 12,211 0.28,212 29.885,213 4.114,214 1.383,215 16.897,216 12.371,217 1.281,218 242.568,219 0.178,220 47.356,221 4.068,222 0.916,223 0.916,224 2,225 45.808,226 3.124,227 3.455,228 5.054,229 0.521,230 14.75,231 19.598,232 3.661,233 11.948,234 5.054,235 2.407,236 1.673,237 3.893,238 462.014,239 3.674,240 17.591,241 3.11,242 73.351,243 0.316,244 12.864,245 18.306,246 2.311,247 16.982,248 23.47,249 2.843,250 672,251 1.541,252 3.428,253 11.163,254 268.078,255 48,256 0.92,257 19.439,258 1.452,259 1.266,260 3.187,261 6.712,262 4.877,263 7.632,264 9.28,265 13.189,266 0.218,268 11.424,269 3.353,270 45.808,271 8.335,272 0.366,273 215.407,274 -0.447,275 -0.447,276 15.011,277 2.001,278 7.755,279 24,280 3.469,281 3.469,282 2.789,283 -0.511,284 0.958,285 31.183,286 0.522,287 1.843,288 0.622,289 4.282,290 41.596,291 4,292 2.819,293 17.013,294 3.216,295 158.02,296 4.294,297 4.294,298 4.294,299 3.697,300 -0.107,301 1.59,302 1.509,303 1.296,304 3.733,305 29.81,306 11.641,307 0.853,308 19.287,309 1.984,310 1.45,311 4.087,312 9.043,313 5,314 0.086,315 -0.424,316 2,317 6.091,318 1.618,319 0.87,320 0.615,321 3.098,322 51,323 15.733,324 9.31,325 11.386,326 9.087,327 215.087,328 21.746,329 3.491,330 1.808,331 -0.998,332 0.792,333 1.543,334 0.882,335 -0.831,336 5.097,337 7.294,339 14.445,340 6.39,341 -0.878,342 -0.878,343 8.764} {0 CHEMBL100789,1 0.049,2 0.008,3 1.49,4 0.863,5 0.902,6 2.725,7 0.082,8 0.942,9 3.366,10 3.928,11 5.035,12 0.543,13 0.043,14 0.069,15 31.77,16 0.008,17 3.599,18 0.838,19 3.897,20 22.229,21 3.716,22 5.708,23 -6.6,24 -6.42,25 -5.96,26 5.373,27 28.871,28 0.799,29 2,30 5.889,31 1,32 3.101,33 2.639,34 5.312,35 28.216,36 9,37 14.734,38 14.734,39 14.734,40 15.646,42 2,43 3.645,44 205,45 0.699,46 0.04,47 22.025,48 0.902,50 1.158,51 6.771,52 3.95,53 -0.069,54 0.863,55 454,56 71,57 16.085,58 1.862,61 1.059,62 0.543,63 40.354,64 32.291,65 8.576,66 4.339,67 14.341,68 189.451,69 454.02,70 34.976,71 3.028,72 1,73 0.224,74 2.063,75 0.67,76 0.127,77 0.616,78 11.195,79 3.351,80 3.225,81 6.377,82 1.16,83 4.341,85 3.819,86 24.92,87 2.527,88 321.06,89 1.251,90 1.251,91 3.24,92 3.052,93 2.752,94 19.349,95 75.426,96 282.506,97 339.288,98 8.913,99 2,100 37.666,101 9.583,102 9.583,103 0.678,104 0.048,105 0.271,106 12.962,107 0.135,108 5.316,109 5.112,110 3.705,111 0.304,112 0.182,113 58.788,114 58.788,115 8,116 -0.127,117 0.881,118 816.027,119 1,120 4.143,121 0.179,122 0.231,123 8728.98,124 1.824,125 22.041,126 0.14,127 3.674,128 11.583,129 29.011,130 282.506,131 223.651,132 74,133 105.72,134 282.506,135 282.506,136 282.506,137 12.977,138 6.567,139 1,140 1.141,141 0.843,142 4.028,143 4.775,144 0.848,145 0.141,146 4.705,147 0.073,149 0.545,150 4.006,151 1,153 40.797,154 0.048,155 17.527,156 10.212,157 0.009,158 3.276,159 3.276,161 1.311,162 67.624,163 14.502,164 0.066,165 0.116,166 4.631,167 0.071,168 7456,169 4.092,170 1.119,171 5081,172 1.122,173 0.374,174 20.497,175 5362,176 0.195,177 1.625,178 1.605,179 0.08,180 0.66,181 7.9,182 7.9,183 2.84,185 4,186 3.049,187 3.049,188 1.83,190 230.046,191 235.556,192 20.871,193 23.457,194 17.467,195 5.69,196 12.983,197 1.363,198 18.862,199 3.19,200 117.082,201 3.914,202 282.506,203 417.36,204 1.048,205 9.633,206 104.932,207 33.802,208 22.893,209 5.086,210 13,211 0.3,212 29.66,213 3.994,214 1.371,215 16.027,216 12.262,217 1.284,218 235.556,219 0.183,220 45.774,221 4.039,222 0.916,223 0.916,224 1,225 3.124,226 3.124,227 3.431,228 5.012,229 0.522,230 13.75,231 19.462,232 4.215,233 12.543,234 5.012,235 2.182,236 1.66,237 3.922,238 456.37,239 3.586,240 18.289,241 3.086,242 80.601,243 0.316,244 12.76,245 18.177,246 2,247 16.87,248 3.24,249 2.866,250 619,251 1.538,252 3.428,253 11.062,254 261.066,255 47,256 0.543,257 19.383,258 1.446,259 1.262,260 3.206,261 6.894,262 4.747,263 7.443,264 9.28,265 13.081,266 0.219,268 11.324,269 3.353,270 3.124,271 8.25,272 0.366,273 204.046,274 -0.763,275 -0.763,276 14.901,277 2.002,278 7.702,279 24,280 3.462,281 3.462,282 2.758,283 -0.889,284 0.958,285 31.062,286 0.186,287 1.509,288 0.58,289 4.229,290 39.983,291 4,292 2.824,293 16.89,294 3.32,295 142.311,296 4.128,297 4.128,298 4.128,299 3.685,300 -0.119,301 1.589,302 1.234,303 1.296,304 3.727,305 29.599,306 9.831,307 0.851,308 19.871,309 1.983,310 0.91,311 4.265,312 8.926,313 4,315 -0.517,317 6.004,318 1.592,319 0.323,320 0.598,321 3.098,322 50,323 15.615,324 9.218,325 11.269,326 8.886,327 200.767,328 21.584,329 3.666,330 1.785,331 -1.07,332 0.826,333 1.541,334 0.862,335 -0.828,336 4.875,337 7.128,339 14.331,340 6.3,341 -0.88,342 -0.88,343 6.884} {0 CHEMBL101300,1 0.049,2 0.008,3 1.49,4 0.863,5 0.902,6 2.633,7 0.082,8 0.928,9 2.995,10 3.93,11 5.09,12 0.543,13 0.035,14 0.063,15 31.77,16 0.008,17 3.522,18 0.838,19 3.898,20 53.292,21 3.262,22 5.708,23 -6.28,24 -6.12,25 -5.68,26 5.049,27 25.497,28 0.799,29 2,30 5.455,31 1,32 3.101,33 2.404,34 4.939,35 24.396,36 9,37 14.734,38 14.734,39 14.734,40 14.9,42 2,43 3.587,44 205,45 0.606,46 0.04,47 17.324,48 0.902,50 1.021,51 6.771,52 3.785,53 -0.001,54 0.863,55 454,56 71,57 13.927,58 1.862,61 1.118,62 0.543,63 40.354,64 32.291,65 7.538,66 4.345,67 21.802,68 173.064,69 414.037,70 34.976,71 3.028,72 1,73 0.192,74 2.063,75 0.67,76 0.115,77 0.599,78 10.656,79 3.318,80 3.225,81 6.377,82 1.158,83 4.341,85 3.611,86 34.127,87 2.527,88 301.85,89 1.251,90 1.251,91 3.24,92 3.052,93 2.752,94 42.693,95 75.426,96 297.467,97 282.506,98 8.913,99 2,100 37.666,101 9.583,102 9.583,103 0.678,104 0.074,105 0.304,106 12.962,107 0.135,108 5.524,109 5.112,110 3.812,111 0.304,112 0.202,113 58.788,114 58.788,115 7,116 -0.124,117 0.881,118 816.027,119 1,120 4.143,121 0.179,122 0.231,123 8728.98,124 1.845,125 22.041,126 0.14,127 3.674,128 11.583,129 29.011,130 282.506,131 238.611,132 74,133 93.528,134 282.506,135 282.506,136 282.506,137 12.977,138 6.567,139 1,140 0.954,141 0.843,142 4.02,143 4.256,144 0.965,145 0.141,146 4.716,147 0.036,149 0.486,150 3.534,151 1,153 29.981,154 0.048,155 15.156,156 10.212,157 0.009,158 3.276,159 3.276,161 1.336,162 25.215,163 14.502,164 0.066,165 0.116,166 4.637,167 0.086,168 7456,169 4.094,170 1.112,171 5081,172 0.998,173 0.333,174 27.958,175 5362,176 0.195,177 1.625,178 1.605,179 0.011,180 0.66,181 7.9,182 7.9,183 2.793,185 4,186 3.049,187 3.049,188 1.11,190 230.046,191 235.556,192 20.871,193 24.814,194 17.467,195 5.69,196 12.983,197 1.363,198 18.862,199 3.147,200 124.543,201 3.923,202 282.506,203 309.46,204 1.035,205 9.633,206 104.932,207 31.08,208 22.893,209 5.103,210 13,211 0.279,212 28.726,213 3.994,214 1.38,215 16.027,216 12.262,217 1.284,218 235.556,219 0.183,220 46.218,221 4.05,222 0.916,223 0.916,224 2,225 18.084,226 18.084,227 3.431,228 5.012,229 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