@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2922 @attribute molecule_id {CHEMBL14145,CHEMBL155867,CHEMBL156313,CHEMBL158007,CHEMBL2013091,CHEMBL2013092,CHEMBL2013093,CHEMBL2013094,CHEMBL2013095,CHEMBL2013096,CHEMBL2013097,CHEMBL2013098,CHEMBL2013099,CHEMBL2013100,CHEMBL2013101,CHEMBL2013102,CHEMBL345675,CHEMBL347036,CHEMBL351132} @attribute AECC numeric @attribute AMR numeric @attribute ARR numeric @attribute ATS1e numeric @attribute ATS1i numeric @attribute ATS1p numeric @attribute ATS1v numeric @attribute ATS2e numeric @attribute ATS2i numeric @attribute ATS2p numeric @attribute ATS2v numeric @attribute ATS3e numeric @attribute ATS3i numeric @attribute ATS3p 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 ATS7p numeric @attribute ATS7s numeric @attribute ATS7v numeric @attribute ATS8e numeric @attribute ATS8i numeric @attribute ATS8p numeric @attribute ATS8v numeric @attribute ATSC1i numeric @attribute ATSC1p numeric @attribute ATSC1s numeric @attribute ATSC2i numeric @attribute ATSC2p numeric @attribute ATSC2s numeric @attribute ATSC3i numeric @attribute ATSC3m numeric @attribute ATSC3p numeric @attribute ATSC4i numeric @attribute ATSC4m numeric @attribute ATSC4p numeric @attribute ATSC4v numeric @attribute ATSC5e numeric @attribute ATSC5i numeric @attribute ATSC5m numeric @attribute ATSC5p numeric @attribute ATSC6i numeric @attribute ATSC6m numeric @attribute ATSC6p numeric @attribute ATSC6s numeric @attribute ATSC7i numeric @attribute ATSC7m numeric @attribute ATSC7p numeric @attribute ATSC7s numeric @attribute ATSC8i numeric @attribute ATSC8m numeric @attribute ATSC8p numeric @attribute ATSC8v numeric @attribute BAC numeric @attribute CATS2D_01_LL numeric @attribute CENT numeric @attribute Chi0_EA.bo. numeric @attribute Chi0_EA.ed. numeric @attribute Chi1_EA.bo. numeric @attribute CIC0 numeric @attribute DBI numeric @attribute DECC numeric @attribute Eig12_AEA.ri. numeric @attribute Eig12_EA numeric @attribute Eig12_EA.ri. numeric @attribute Eta_alpha numeric @attribute Eta_C numeric @attribute Eta_epsi numeric @attribute Eta_L numeric @attribute GATS7i numeric @attribute GATS8e numeric @attribute GATS8s numeric @attribute GGI9 numeric @attribute HDcpx numeric @attribute HVcpx numeric @attribute IAC numeric @attribute ICR numeric @attribute IDE numeric @attribute ISIZ numeric @attribute JGI10 numeric @attribute MATS7i numeric @attribute MAXDP numeric @attribute MSD numeric @attribute nAT numeric @attribute nBT numeric @attribute nC numeric @attribute ON0 numeric @attribute ON0V numeric @attribute ON1 numeric @attribute ON1V numeric @attribute PHI numeric @attribute Psi_i_0 numeric @attribute Psi_i_1 numeric @attribute Psi_i_t numeric @attribute Psychotic.80 numeric @attribute P_VSA_i_3 numeric @attribute P_VSA_s_3 numeric @attribute S1K numeric @attribute S2K numeric @attribute S3K numeric @attribute SAtot numeric @attribute Se numeric @attribute Si numeric @attribute SM06_AEA.dm. numeric @attribute Sp numeric @attribute SpDiam_AEA.bo. numeric @attribute SpDiam_AEA.ed. numeric @attribute SPI numeric @attribute SpMax3_Bh.i. numeric @attribute SpMax3_Bh.p. numeric @attribute SpMax4_Bh.e. numeric @attribute SpMax4_Bh.i. numeric @attribute SpMax4_Bh.m. numeric @attribute SpMax4_Bh.p. numeric @attribute SpMax4_Bh.v. numeric @attribute SpMax5_Bh.e. numeric @attribute SpMax5_Bh.i. numeric @attribute SpMax5_Bh.m. numeric @attribute SpMax5_Bh.p. numeric @attribute SpMax5_Bh.v. numeric @attribute SpMax6_Bh.e. numeric @attribute SpMax6_Bh.i. numeric @attribute SpMax6_Bh.m. numeric @attribute SpMax6_Bh.p. numeric @attribute SpMax6_Bh.v. numeric @attribute SpMax7_Bh.e. numeric @attribute SpMax7_Bh.i. numeric @attribute SpMax7_Bh.m. numeric @attribute SpMax7_Bh.p. numeric @attribute SpMax7_Bh.v. numeric @attribute SpMax8_Bh.e. numeric @attribute SpMax8_Bh.i. numeric @attribute SpMax8_Bh.m. numeric @attribute SpMax8_Bh.p. numeric @attribute SpMax8_Bh.v. numeric @attribute SpMaxA_EA.ed. numeric @attribute SpMin2_Bh.p. numeric @attribute SpMin2_Bh.s. numeric @attribute SpMin3_Bh.e. numeric @attribute SpMin3_Bh.i. numeric @attribute SpMin3_Bh.p. numeric @attribute SpMin3_Bh.v. numeric @attribute SpMin4_Bh.e. numeric @attribute SpMin4_Bh.i. numeric @attribute SpMin4_Bh.m. numeric @attribute SpMin4_Bh.p. numeric @attribute SpMin4_Bh.s. numeric @attribute SpMin4_Bh.v. numeric @attribute SpMin5_Bh.e. numeric @attribute SpMin5_Bh.i. numeric @attribute SpMin5_Bh.m. numeric @attribute SpMin5_Bh.p. numeric @attribute SpMin5_Bh.s. numeric @attribute SpMin5_Bh.v. numeric @attribute SpMin6_Bh.e. numeric @attribute SpMin6_Bh.i. numeric @attribute SpMin6_Bh.m. numeric @attribute SpMin6_Bh.p. numeric @attribute SpMin6_Bh.s. numeric @attribute SpMin6_Bh.v. numeric @attribute SpMin7_Bh.e. numeric @attribute SpMin7_Bh.i. numeric @attribute SpMin7_Bh.m. numeric @attribute SpMin7_Bh.p. numeric @attribute SpMin7_Bh.s. numeric @attribute SpMin7_Bh.v. numeric @attribute SpMin8_Bh.e. numeric @attribute SpMin8_Bh.i. numeric @attribute SpMin8_Bh.m. numeric @attribute SpMin8_Bh.p. numeric @attribute SpMin8_Bh.s. numeric @attribute SpMin8_Bh.v. numeric @attribute Sv numeric @attribute TIC0 numeric @attribute TIC1 numeric @attribute TIC2 numeric @attribute TIC3 numeric @attribute TIC4 numeric @attribute TIC5 numeric @attribute TIE numeric @attribute Uindex numeric @attribute Vindex numeric @attribute VvdwMG numeric @attribute VvdwZAZ numeric @attribute Vx numeric @attribute X0 numeric @attribute X0sol numeric @attribute X0v numeric @attribute X1Kup numeric @attribute X1MulPer numeric @attribute X1Per numeric @attribute X1v numeric @attribute X2v numeric @attribute X3v numeric @attribute X4v numeric @attribute X5v numeric @attribute Eta_F_A numeric @attribute Eig02_AEA.bo. numeric @attribute GATS1p numeric @attribute MCD numeric @attribute ATS1m numeric @attribute ATS2m numeric @attribute ATS3m numeric @attribute ATS7m numeric @attribute ATS8m numeric @attribute ATS8s numeric @attribute ATSC1e numeric @attribute ATSC3e numeric @attribute ATSC3s numeric @attribute ATSC4e numeric @attribute ATSC4s numeric @attribute ATSC6e numeric @attribute ATSC7e numeric @attribute ATSC8s numeric @attribute CATS2D_07_AL numeric @attribute CATS2D_08_AL numeric @attribute CSI numeric @attribute DELS numeric @attribute ECC numeric @attribute Eig04_EA.ed. numeric @attribute Eig05_EA.bo. numeric @attribute Eig05_EA.ri. numeric @attribute Eig06_AEA.dm. numeric @attribute Eig06_AEA.ri. numeric @attribute Eig06_EA numeric @attribute Eig06_EA.ri. 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.ri. numeric @attribute Eig08_AEA.dm. numeric @attribute Eig09_EA.ed. numeric @attribute Eig10_AEA.bo. numeric @attribute Eig10_AEA.dm. numeric @attribute Eig10_AEA.ed. 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 Eig11_AEA.bo. numeric @attribute Eig11_AEA.ri. numeric @attribute Eig11_EA.bo. numeric @attribute Eig11_EA.ed. numeric @attribute Eig12_AEA.bo. numeric @attribute Eig12_AEA.dm. numeric @attribute Eig12_AEA.ed. numeric @attribute Eig12_EA.bo. numeric @attribute Eig12_EA.ed. numeric @attribute Eig14_AEA.ed. numeric @attribute Eig15_AEA.ed. numeric @attribute GGI8 numeric @attribute IDDE numeric @attribute LLS_01 numeric @attribute MW numeric @attribute P_VSA_MR_5 numeric @attribute RDCHI numeric @attribute SM04_AEA.dm. numeric @attribute SM04_AEA.ri. numeric @attribute SM05_AEA.ri. numeric @attribute SM06_AEA.ri. numeric @attribute SM07_AEA.ri. numeric @attribute SM13_AEA.dm. numeric @attribute SM14_AEA.bo. numeric @attribute SM15_AEA.bo. numeric @attribute SM15_AEA.ri. numeric @attribute SpMax2_Bh.e. numeric @attribute SpMax2_Bh.i. numeric @attribute SpMax2_Bh.p. numeric @attribute SpMax2_Bh.v. numeric @attribute SpMax3_Bh.e. numeric @attribute SpMax3_Bh.m. numeric @attribute SpMax3_Bh.s. numeric @attribute SpMax3_Bh.v. numeric @attribute SpMax5_Bh.s. numeric @attribute SpMax6_Bh.s. numeric @attribute SpMax8_Bh.s. numeric @attribute SpMaxA_AEA.ed. numeric @attribute SpMaxA_AEA.ri. numeric @attribute SpMaxA_EA numeric @attribute SpMaxA_EA.ri. numeric @attribute SpMin2_Bh.e. numeric @attribute SpMin2_Bh.i. numeric @attribute UNIP numeric @attribute X2sol numeric @attribute X3Av numeric @attribute X4Av numeric @attribute X5Av numeric @attribute Xindex numeric @attribute ZM1Mad numeric @attribute MATS6i numeric @attribute N. numeric @attribute AAC numeric @attribute ATSC1m numeric @attribute C.038 numeric @attribute C.041 numeric @attribute CATS2D_01_AA numeric @attribute CATS2D_02_AA numeric @attribute CATS2D_03_AA numeric @attribute CATS2D_04_AA numeric @attribute CATS2D_06_AL numeric @attribute CATS2D_09_AL numeric @attribute CIC1 numeric @attribute Eig02_AEA.dm. numeric @attribute Eig02_AEA.ed. numeric @attribute Eig02_AEA.ri. numeric @attribute Eig02_EA numeric @attribute Eig02_EA.dm. numeric @attribute Eig02_EA.ed. numeric @attribute Eig02_EA.ri. numeric @attribute Eig03_AEA.bo. numeric @attribute Eig03_AEA.dm. numeric @attribute Eig03_AEA.ed. numeric @attribute Eig03_EA.bo. numeric @attribute Eig03_EA.dm. numeric @attribute Eig04_AEA.bo. numeric @attribute Eig04_AEA.dm. numeric @attribute Eig04_AEA.ed. numeric @attribute Eig04_AEA.ri. numeric @attribute Eig04_EA numeric @attribute Eig04_EA.bo. numeric @attribute Eig04_EA.ri. numeric @attribute Eig06_AEA.bo. numeric @attribute Eig06_EA.bo. numeric @attribute Eig09_AEA.ed. numeric @attribute Eig13_AEA.ri. numeric @attribute Eig13_EA numeric @attribute Eig13_EA.ed. numeric @attribute Eig13_EA.ri. numeric @attribute Eig14_AEA.dm. numeric @attribute Eta_alpha_A numeric @attribute Eta_B numeric @attribute Eta_betaP numeric @attribute Eta_epsi_A numeric @attribute GATS5i numeric @attribute GATS6p numeric @attribute GATS6v numeric @attribute GGI5 numeric @attribute GGI6 numeric @attribute GGI7 numeric @attribute IC0 numeric @attribute IC1 numeric @attribute IC2 numeric @attribute IC3 numeric @attribute IC4 numeric @attribute IC5 numeric @attribute JGI6 numeric @attribute MATS3p numeric @attribute MATS3v numeric @attribute MATS6p numeric @attribute MATS6v numeric @attribute MAXDN numeric @attribute Me numeric @attribute MPC06 numeric @attribute MPC07 numeric @attribute MPC08 numeric @attribute MPC09 numeric @attribute MWC08 numeric @attribute MWC09 numeric @attribute MWC10 numeric @attribute N.072 numeric @attribute N.074 numeric @attribute nBM numeric @attribute nCconj numeric @attribute nCIC numeric @attribute nCsp2 numeric @attribute nDB numeric @attribute NdsN numeric @attribute NdssC numeric @attribute nHet numeric @attribute nN numeric @attribute nN.N numeric @attribute nR06 numeric @attribute piID numeric @attribute piPC03 numeric @attribute piPC04 numeric @attribute piPC05 numeric @attribute piPC10 numeric @attribute Psi_e_A numeric @attribute Psi_i_A numeric @attribute pXC50 numeric @data {1 4.818,2 43.777,3 0.917,4 3.06,5 3.185,6 2.667,7 2.644,8 3.477,9 3.635,10 2.992,11 2.938,12 3.583,13 3.813,14 2.928,15 2.807,16 3.385,17 3.618,18 2.484,19 2.684,20 4.352,21 2.58,22 3.249,23 3.503,24 2.18,25 2.451,26 4.185,27 2.327,28 2.96,29 3.273,30 1.429,31 1.982,32 3.689,33 1.772,34 2.236,35 2.601,36 1.133,37 2.674,38 0.849,39 1.02,40 1.365,41 0.255,42 0.13,43 0.282,44 1.505,45 4.053,46 0.428,47 2.381,48 7.019,49 0.431,50 7.489,51 3.076,52 0.36,53 6.172,54 2.343,55 3.317,56 0.052,57 0.313,58 5.587,59 1.894,60 0.213,61 4.624,62 1.561,63 6.63,64 0.087,65 2.398,66 0.82,67 3.191,68 0.016,69 0.6,70 0.204,71 0.322,73 6,74 86,75 6.45,76 4.911,77 4.138,78 2.87,79 1,80 0.777,81 -1,82 -2,83 -2,84 5.3,85 4.28,86 10.9,87 1.905,88 0.547,92 1.424,93 2.428,94 26.181,95 1.868,96 2.405,97 80.711,99 0.202,100 1.131,101 3.125,102 19,103 20,104 9,105 5.167,106 3.283,107 2.528,108 1.04,109 1.541,110 7.709,111 5.993,112 0.019,114 82.398,115 5.942,116 6.317,117 2.684,118 1.208,119 186.958,120 18.854,121 21.242,122 -2,123 13.296,124 4.864,125 5.94,127 2.925,128 2.735,129 2.845,130 2.906,131 2.687,132 2.725,133 2.715,134 2.401,135 2.511,136 2.209,137 2.196,138 2.178,139 2.194,140 2.318,141 2.023,142 1.839,143 1.877,144 1.602,145 1.802,146 1.039,147 1.217,148 1.144,149 1.477,150 1.69,151 0.884,152 1.056,153 0.982,154 0.753,155 1.703,156 0.581,157 1.252,158 1.189,159 1.442,160 1.43,161 0.886,162 0.821,163 1.181,164 1.062,165 0.218,166 1.107,167 0.657,168 0.588,169 0.956,170 0.855,171 0.002,172 0.894,175 0.381,176 0.141,178 0.23,181 0.337,182 0.133,184 0.222,187 0.297,188 0.052,190 0.146,191 12.623,192 26.181,193 49.449,194 62.346,195 69.956,196 72.711,197 72.711,198 7.228,199 15.19,200 0.398,201 81.266,202 126.54,203 190.05,204 7.519,205 7.519,206 5.989,207 3.473,208 3.402,209 2.861,210 3.509,211 2.32,212 1.568,213 1.027,214 0.56,215 0.738,216 3.5,217 0.909,218 1,219 2.664,220 2.904,221 2.651,222 0.326,223 0.014,224 1.099,225 0.017,226 0.043,227 8.296,228 0.04,229 7.957,230 0.045,231 0.022,232 0.776,235 113,236 3.263,237 53,238 2.136,239 1.165,240 0.742,241 0.618,242 1.531,243 0.618,244 0.564,245 0.736,246 -0.691,247 0.297,248 -0.691,249 -0.948,250 -0.682,251 -1,252 -3.082,253 -0.118,254 -1.618,255 1,256 -0.682,257 -1.618,258 -2.427,259 -4.372,260 -1.511,261 -0.5,262 -0.991,263 -2.65,264 -4.789,265 -0.639,266 -2,267 0.198,268 -3,269 -6.073,273 2.732,274 1,275 144.19,276 28.161,277 2.434,278 -1.618,279 -3.082,280 -4.372,281 -4.789,282 -6.073,283 2.136,284 0.618,285 -0.691,286 1.165,287 3.715,288 3.775,289 3.538,290 3.559,291 2.854,292 2.729,293 3.676,294 2.719,295 3.517,296 3.015,297 1.813,298 0.512,299 0.319,300 0.238,301 0.233,302 1.41,303 1.336,304 20,305 4.443,306 0.083,307 0.045,308 0.025,309 0.574,310 57.164,311 0.014,312 10.5,313 1.378,314 3.576,323 1.645,324 2,325 4.547,326 2.965,327 2,329 4.826,330 1.927,331 2.876,332 1.414,333 3.594,334 2.045,336 2.5,337 1,338 3.247,339 2,340 1,341 1.5,342 1,343 2.118,344 0.927,345 1.029,351 0.482,352 0.12,353 10,354 0.574,355 1.091,356 0.98,357 1.049,358 0.118,359 0.024,361 1.378,362 2.603,363 3.281,364 3.682,365 3.827,366 3.827,367 0.012,368 -0.102,369 -0.092,370 -0.01,371 -0.035,372 0.675,373 0.992,374 2.944,375 2.833,376 2.565,377 2.197,378 8.935,379 9.763,380 10.592,383 11,385 2,386 9,390 2,391 2,393 1,394 7.107,395 4.028,396 4.577,397 4.849,398 5.042,399 7.576,400 2.076,401 4.481} {0 CHEMBL155867,1 7.143,2 57.839,3 0.667,4 3.461,5 3.606,6 3.018,7 2.954,8 4.004,9 4.214,10 3.374,11 3.268,12 4.23,13 4.518,14 3.38,15 3.229,16 4.124,17 4.423,18 2.81,19 3.231,20 4.829,21 3.057,22 3.911,23 4.207,24 2.549,25 3.037,26 4.579,27 2.85,28 3.785,29 4.076,30 2.442,31 2.929,32 4.479,33 2.74,34 3.649,35 3.941,36 2.794,37 4.342,38 2.593,39 3.457,40 3.756,41 2.599,42 2.352,43 0.433,44 2.829,45 5.229,46 0.689,47 4.765,48 9.938,49 0.77,50 15.581,51 5.243,52 0.675,53 13.989,54 4.655,55 7.304,56 0.089,57 0.537,58 11.185,59 3.944,60 0.473,61 9.798,62 3.574,63 9.118,64 0.408,65 8.543,66 3.08,67 8.299,68 0.315,69 6.795,70 2.96,71 4.262,72 6,73 7,74 178,75 8.647,76 6.234,77 5.707,78 3.634,79 2.345,80 1.163,81 -0.639,82 -1.612,83 -1.558,84 6.8,85 9.942,86 15.4,87 4.003,88 0.82,89 0.288,90 0.638,91 0.025,92 1.501,93 2.868,94 38.187,95 2.306,96 2.943,97 147.207,99 0.142,100 1.529,101 4.261,102 30,103 31,104 12,105 7,106 5.533,107 3.278,108 2.163,109 2.947,110 10.335,111 8.279,112 0.013,114 176.567,115 16.754,116 9.414,117 4.383,118 2.224,119 273.622,120 29.389,121 33.903,122 -1.612,123 19.341,124 5.302,125 6.152,126 4.562,127 3.511,128 3.289,129 3.159,130 3.251,131 2.946,132 2.973,133 2.958,134 2.911,135 2.979,136 2.79,137 2.776,138 2.77,139 2.711,140 2.825,141 2.432,142 2.514,143 2.48,144 2.304,145 2.43,146 2.028,147 2.064,148 2.036,149 2.156,150 2.316,151 1.862,152 1.78,153 1.758,154 0.631,155 1.926,156 1.097,157 1.487,158 1.412,159 1.71,160 1.723,161 1.137,162 1.047,163 1.421,164 1.4,165 0.534,166 1.423,167 0.947,168 0.892,169 1.19,170 1.139,171 0.298,172 1.15,173 0.807,174 0.722,175 1.126,176 1.035,177 0.188,178 1.086,179 0.547,180 0.424,181 0.949,182 0.847,183 0.083,184 0.891,185 0.216,186 0.05,187 0.776,188 0.607,190 0.682,191 17.73,192 38.187,193 88.398,194 114.942,195 132.452,196 134.452,197 134.452,198 13.796,199 21.528,200 0.318,201 112.971,202 181.08,203 267.409,204 9.803,205 9.803,206 8.585,207 5.304,208 5.157,209 4.367,210 5.335,211 3.658,212 2.456,213 1.666,214 1.05,215 0.555,216 3.5,217 1.133,218 0.643,219 2.892,220 3.172,221 3.046,222 2.207,223 1.886,224 4.06,225 0.038,226 0.124,227 14.861,228 0.118,229 12.799,230 0.071,231 0.071,232 5.396,235 210,236 5.568,237 100,238 3.149,239 1.609,240 1.35,241 0.702,242 1.68,243 0.693,244 0.683,245 1.765,246 0.347,247 1.295,248 0.347,249 0.521,250 0.328,251 -0.144,252 -1.82,253 0.5,254 -1,255 1.586,256 -0.032,257 -1,258 -1.401,259 -2.542,260 -0.963,261 0.049,262 -0.188,263 -1.5,264 -2.625,265 -0.371,266 -1.612,267 1,268 -1.802,269 -3.761,270 0.317,271 0.09,272 0.031,273 3.039,274 0.83,275 188.3,276 40.221,277 2.765,278 -1,279 -1.82,280 -2.542,281 -2.625,282 -3.761,283 3.149,284 0.693,285 0.347,286 1.609,287 3.703,288 3.77,289 3.585,290 3.565,291 3.441,292 3.304,293 4.147,294 3.284,295 3.721,296 3.189,297 2.845,298 0.416,299 0.263,300 0.199,301 0.19,302 1.758,303 1.695,304 35,305 5.638,306 0.102,307 0.054,308 0.03,309 0.488,310 72.163,311 -0.027,312 6.7,313 1.273,314 7.159,321 1,323 1.96,324 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