@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1770033 @attribute molecule_id {CHEMBL103,CHEMBL110739,CHEMBL135,CHEMBL1498,CHEMBL311617,CHEMBL39,CHEMBL405,CHEMBL58343,CHEMBL59,CHEMBL72,CHEMBL9324} @attribute AECC numeric @attribute ARR numeric @attribute ATS1e numeric @attribute ATS1i numeric @attribute ATS1p numeric @attribute ATS1s numeric @attribute ATS1v numeric @attribute ATS2e numeric @attribute ATS2i numeric @attribute ATS2p numeric @attribute ATS2s 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 ATS5p numeric @attribute ATS5s numeric @attribute ATS6e numeric @attribute ATS6i numeric @attribute ATS6s numeric @attribute ATS7e numeric @attribute ATS7i numeric @attribute ATS7s numeric @attribute ATSC1i numeric @attribute ATSC1p numeric @attribute ATSC2i numeric @attribute ATSC2m numeric @attribute ATSC2p numeric @attribute ATSC3i numeric @attribute ATSC3m numeric @attribute ATSC3p numeric @attribute ATSC3v numeric @attribute ATSC4e numeric @attribute ATSC4i numeric @attribute ATSC4m numeric @attribute ATSC4p numeric @attribute ATSC4s numeric @attribute ATSC4v numeric @attribute ATSC5e numeric @attribute ATSC5i numeric @attribute ATSC5m numeric @attribute ATSC5p numeric @attribute ATSC5s numeric @attribute ATSC5v numeric @attribute ATSC6e numeric @attribute ATSC7e numeric @attribute ATSC7m numeric @attribute ATSC8s numeric @attribute C.003 numeric @attribute C.004 numeric @attribute CATS2D_01_LL numeric @attribute CATS2D_02_LL numeric @attribute CATS2D_03_LL numeric @attribute CATS2D_07_LL numeric @attribute Chi0_EA.bo. 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.ri. numeric @attribute CID numeric @attribute CSI numeric @attribute D.Dtr05 numeric @attribute D.Dtr06 numeric @attribute D.Dtr09 numeric @attribute D.Dtr10 numeric @attribute DECC numeric @attribute DELS numeric @attribute DLS_cons numeric @attribute ECC numeric @attribute Eig01_AEA.bo. numeric @attribute Eig01_AEA.dm. numeric @attribute Eig01_AEA.ed. numeric @attribute Eig01_AEA.ri. numeric @attribute Eig01_EA numeric @attribute Eig01_EA.ed. numeric @attribute Eig01_EA.ri. numeric @attribute Eig02_AEA.bo. numeric @attribute Eig02_AEA.ed. numeric @attribute Eig02_AEA.ri. numeric @attribute Eig02_EA numeric @attribute Eig02_EA.ed. numeric @attribute Eig03_EA.bo. numeric @attribute Eig04_AEA.ed. numeric @attribute Eig05_AEA.bo. numeric @attribute Eig05_AEA.ed. numeric @attribute Eig05_EA.bo. numeric @attribute Eig05_EA.ed. numeric @attribute Eig06_AEA.dm. numeric @attribute Eig06_AEA.ed. numeric @attribute Eig06_AEA.ri. numeric @attribute Eig06_EA numeric @attribute Eig06_EA.ed. numeric @attribute Eig06_EA.ri. numeric @attribute Eig07_AEA.ed. numeric @attribute Eig07_AEA.ri. numeric @attribute Eig07_EA numeric @attribute Eig07_EA.ed. numeric @attribute Eig07_EA.ri. numeric @attribute Eig08_AEA.ed. numeric @attribute Eig09_AEA.ri. numeric @attribute Eig09_EA.ed. numeric @attribute Eig11_AEA.ed. numeric @attribute Eig12_AEA.bo. numeric @attribute Eig12_AEA.ed. numeric @attribute Eig12_AEA.ri. numeric @attribute Eig13_AEA.ed. numeric @attribute Eig13_AEA.ri. numeric @attribute Eig14_AEA.ed. numeric @attribute Eig15_AEA.ed. numeric @attribute Eta_B_A numeric @attribute Eta_beta_A numeric @attribute Eta_betaP_A numeric @attribute Eta_betaS numeric @attribute Eta_C numeric @attribute Eta_C_A numeric @attribute Eta_epsi numeric @attribute Eta_F_A numeric @attribute Eta_FL_A numeric @attribute Eta_L_A numeric @attribute GATS1e numeric @attribute GATS3i numeric @attribute GATS6m numeric @attribute GATS6v numeric @attribute GGI1 numeric @attribute GGI2 numeric @attribute GGI3 numeric @attribute GGI6 numeric @attribute GGI7 numeric @attribute GGI8 numeric @attribute GGI9 numeric @attribute GMTI numeric @attribute HVcpx numeric @attribute IAC numeric @attribute IC2 numeric @attribute ICR numeric @attribute IDDM numeric @attribute IDE numeric @attribute IDET numeric @attribute ISIZ numeric @attribute IVDE numeric @attribute MATS3v numeric @attribute MATS6m numeric @attribute MATS6p numeric @attribute MATS6v numeric @attribute MAXDP numeric @attribute MDDD numeric @attribute MPC01 numeric @attribute MPC03 numeric @attribute MPC09 numeric @attribute MPC10 numeric @attribute MWC01 numeric @attribute MWC09 numeric @attribute MWC10 numeric @attribute N. numeric @attribute nAT numeric @attribute nBO numeric @attribute nBT numeric @attribute nCIC numeric @attribute nCq numeric @attribute nCrq numeric @attribute nCrs numeric @attribute nCrt numeric @attribute nCs numeric @attribute nCsp3 numeric @attribute nCt numeric @attribute nH numeric @attribute nN numeric @attribute nR06 numeric @attribute nR10 numeric @attribute NssCH2 numeric @attribute NsssCH numeric @attribute NssssC numeric @attribute ON0 numeric @attribute ON0V numeric @attribute ON1 numeric @attribute PCR numeric @attribute piPC06 numeric @attribute piPC07 numeric @attribute piPC08 numeric @attribute Pol numeric @attribute Psi_i_0 numeric @attribute Psi_i_s numeric @attribute Psi_i_t numeric @attribute P_VSA_i_3 numeric @attribute PW2 numeric @attribute Ram numeric @attribute RBF numeric @attribute Rbrid numeric @attribute RFD numeric @attribute Rperim numeric @attribute SAtot numeric @attribute Se numeric @attribute Si numeric @attribute SM02_AEA.bo. numeric @attribute SM02_AEA.ed. numeric @attribute SM02_AEA.ri. numeric @attribute SM02_EA.ed. numeric @attribute SM03_AEA.ed. numeric @attribute SM03_EA numeric @attribute SM03_EA.bo. numeric @attribute SM03_EA.ed. numeric @attribute SM03_EA.ri. numeric @attribute SM04_AEA.ed. numeric @attribute SM04_AEA.ri. numeric @attribute SM04_EA numeric @attribute SM04_EA.ed. numeric @attribute SM04_EA.ri. numeric @attribute SM05_AEA.bo. numeric @attribute SM05_AEA.ed. numeric @attribute SM05_EA numeric @attribute SM05_EA.bo. numeric @attribute SM05_EA.ed. numeric @attribute SM05_EA.ri. numeric @attribute SM06_AEA.bo. numeric @attribute SM06_AEA.ed. numeric @attribute SM06_EA numeric @attribute SM06_EA.ed. numeric @attribute SM06_EA.ri. numeric @attribute SM07_AEA.bo. numeric @attribute SM07_AEA.ed. numeric @attribute SM07_EA numeric @attribute SM07_EA.bo. numeric @attribute SM07_EA.ed. numeric @attribute SM07_EA.ri. numeric @attribute SM08_AEA.bo. numeric @attribute SM08_AEA.ed. numeric @attribute SM08_EA numeric @attribute SM08_EA.ed. numeric @attribute SM08_EA.ri. numeric @attribute SM09_AEA.bo. numeric @attribute SM09_AEA.ed. numeric @attribute SM09_EA numeric @attribute SM09_EA.ed. numeric @attribute SM09_EA.ri. numeric @attribute SM10_AEA.bo. numeric @attribute SM10_AEA.dm. numeric @attribute SM10_AEA.ed. numeric @attribute SM10_EA numeric @attribute SM10_EA.ed. numeric @attribute SM10_EA.ri. numeric @attribute SM11_AEA.dm. numeric @attribute SM11_AEA.ed. numeric @attribute SM11_EA numeric @attribute SM11_EA.ed. numeric @attribute SM11_EA.ri. numeric @attribute SM12_AEA.ed. numeric @attribute SM12_EA numeric @attribute SM12_EA.ed. numeric @attribute SM12_EA.ri. numeric @attribute SM13_AEA.ed. numeric @attribute SM13_AEA.ri. numeric @attribute SM13_EA numeric @attribute SM13_EA.ed. numeric @attribute SM13_EA.ri. numeric @attribute SM14_AEA.bo. numeric @attribute SM14_AEA.dm. numeric @attribute SM14_AEA.ed. numeric @attribute SM14_EA numeric @attribute SM14_EA.ed. numeric @attribute SM14_EA.ri. numeric @attribute SM15_AEA.bo. numeric @attribute SM15_AEA.dm. numeric @attribute SM15_AEA.ed. numeric @attribute SM15_AEA.ri. numeric @attribute SM15_EA numeric @attribute SM15_EA.ed. numeric @attribute SM15_EA.ri. numeric @attribute SMTI numeric @attribute SNar numeric @attribute Sp numeric @attribute SpAD_AEA.ed. numeric @attribute SpDiam_AEA.bo. numeric @attribute SpDiam_AEA.dm. numeric @attribute SpDiam_AEA.ed. numeric @attribute SpDiam_AEA.ri. numeric @attribute SpDiam_EA numeric @attribute SpDiam_EA.bo. numeric @attribute SpDiam_EA.ed. numeric @attribute SPI numeric @attribute SpMAD_AEA.bo. numeric @attribute SpMAD_AEA.ri. numeric @attribute SpMAD_EA.bo. numeric @attribute SpMAD_EA.ed. numeric @attribute SpMAD_EA.ri. numeric @attribute SpMax1_Bh.i. numeric @attribute SpMax2_Bh.e. numeric @attribute SpMax2_Bh.i. numeric @attribute SpMax2_Bh.m. numeric @attribute SpMax2_Bh.p. numeric @attribute SpMax2_Bh.s. numeric @attribute SpMax2_Bh.v. numeric @attribute SpMax3_Bh.e. numeric @attribute SpMax3_Bh.m. numeric @attribute SpMax3_Bh.v. 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.s. numeric @attribute SpMax6_Bh.e. numeric @attribute SpMax6_Bh.m. numeric @attribute SpMax6_Bh.s. numeric @attribute SpMax7_Bh.e. numeric @attribute SpMax7_Bh.i. numeric @attribute SpMax7_Bh.s. numeric @attribute SpMax8_Bh.e. numeric @attribute SpMax8_Bh.i. numeric @attribute SpMax8_Bh.s. numeric @attribute SpMaxA_AEA.bo. numeric @attribute SpMax_AEA.bo. numeric @attribute SpMaxA_EA.bo. numeric @attribute SpMax_AEA.dm. numeric @attribute SpMax_AEA.ed. numeric @attribute SpMax_AEA.ri. numeric @attribute SpMax_EA numeric @attribute SpMax_EA.ed. numeric @attribute SpMax_EA.ri. numeric @attribute SpMin1_Bh.e. numeric @attribute SpMin1_Bh.i. numeric @attribute SpMin1_Bh.p. numeric @attribute SpMin2_Bh.s. numeric @attribute SpMin3_Bh.s. numeric @attribute SpMin4_Bh.i. numeric @attribute SpMin5_Bh.i. numeric @attribute SpMin6_Bh.e. numeric @attribute SpMin6_Bh.i. numeric @attribute SpMin6_Bh.p. numeric @attribute SpMin6_Bh.v. numeric @attribute SpMin7_Bh.p. numeric @attribute SpMin8_Bh.p. numeric @attribute SRW02 numeric @attribute SRW07 numeric @attribute SRW08 numeric @attribute SRW09 numeric @attribute SRW10 numeric @attribute Sv numeric @attribute TIC0 numeric @attribute TIC1 numeric @attribute TIC2 numeric @attribute TIE numeric @attribute TRS numeric @attribute TWC numeric @attribute UNIP numeric @attribute VAR numeric @attribute Vindex numeric @attribute VvdwZAZ numeric @attribute X0v numeric @attribute X1Kup numeric @attribute X1MulPer numeric @attribute X1Per numeric @attribute X1v numeric @attribute X2A numeric @attribute X2v numeric @attribute X3 numeric @attribute X3Av numeric @attribute X3sol numeric @attribute X4Av numeric @attribute X4v numeric @attribute Xindex numeric @attribute Xt numeric @attribute Yindex numeric @attribute ZM1Kup numeric @attribute ZM1MulPer numeric @attribute ZM1V numeric @attribute ATS1m numeric @attribute ATS2m numeric @attribute ATS2v numeric @attribute ATS5m numeric @attribute ATSC1m numeric @attribute ATSC1v numeric @attribute ATSC2v numeric @attribute ATSC6m numeric @attribute BBI numeric @attribute BID numeric @attribute BLI numeric @attribute C.002 numeric @attribute CATS2D_04_LL numeric @attribute Chi1_EA.bo. numeric @attribute CIC0 numeric @attribute Dz numeric @attribute Eig02_AEA.dm. numeric @attribute Eig02_EA.ri. numeric @attribute Eig03_AEA.bo. numeric @attribute pXC50 numeric @data {1 8.261,3 4.024,4 4.153,5 3.62,6 4.846,7 3.536,8 4.711,9 4.906,10 4.162,11 5.44,12 5.151,13 5.366,14 4.084,15 4.481,16 5.901,17 4.334,18 5.404,19 5.662,20 4.044,21 4.595,22 6.089,23 4.394,24 5.493,25 5.807,26 4.48,27 6.145,28 5.248,29 5.588,30 5.883,31 4.813,32 5.115,33 5.557,34 0.708,35 6.198,36 1.322,37 25.687,38 11.606,39 1.948,40 39.645,41 17.065,42 23.765,43 0.288,44 2.389,45 49.667,46 21.064,47 38.539,48 29.792,49 0.408,50 2.384,51 52.816,52 21.027,53 59.915,54 30.171,55 0.349,56 0.225,57 26.977,58 32.344,59 4,60 2,61 20,62 34,63 38,64 8,65 14.506,66 12.74,67 12.74,68 12.74,69 12.74,70 12.74,71 12.601,72 3.879,73 416,74 32.366,75 106.385,76 52.896,77 117.771,78 1.338,79 21.69,80 1,81 190,82 4.75,83 3.91,84 7.962,85 4.719,86 3.718,87 15.052,88 3.721,89 4.58,90 7.824,91 4.527,92 3.525,93 14.429,94 2.93,95 5.707,96 3.265,97 5.332,98 2.297,99 6.299,100 2.152,101 4.942,102 2.874,103 1.862,104 5.322,105 1.88,106 4.727,107 2.596,108 1.594,109 4.514,110 1.596,111 4.013,112 1.936,113 2.396,114 3.174,115 0.847,116 2.977,117 0.818,118 2.784,119 0.579,120 2.595,121 2.49,122 0.039,123 0.783,124 0.196,125 13.5,126 33.702,127 1.465,128 26.633,129 0.358,130 0.084,131 0.388,132 0.5,133 1.158,134 0.792,135 0.759,136 7,137 5.333,138 3.194,139 0.7,140 0.356,141 0.227,142 0.08,143 4833,144 2.996,145 62.134,146 4.218,147 2.525,148 4.494,149 3.096,150 783.182,151 303.58,152 1.837,153 -0.098,154 0.133,155 0.14,156 0.147,157 5.147,158 15.497,159 3.296,160 4.143,161 5.447,162 5.442,163 3.296,164 11.581,165 12.547,167 53,168 26,169 56,170 4,171 2,172 2,173 8,174 4,175 8,176 17,177 4,178 30,180 3,181 2,182 8,183 4,184 2,185 12.333,186 10.25,187 4.75,188 1.067,189 5.226,190 5.464,191 5.707,192 48,193 17.693,194 46.833,195 0.001,196 403.423,197 0.62,198 11,199 0.018,200 3,201 0.353,202 17,203 473.104,204 51.909,205 59.647,206 4.787,207 5.948,208 4.514,209 6.978,210 7.664,211 4.511,212 4.691,213 8.591,214 4.537,215 9.503,216 2.396,217 6.33,218 11.74,219 6.353,220 8.807,221 11.416,222 7.186,223 7.439,224 14.118,225 7.21,226 10.253,227 13.376,228 8.613,229 16.929,230 8.634,231 11.722,232 15.367,233 9.758,234 10.07,235 19.531,236 9.777,237 13.209,238 17.38,239 11.082,240 22.257,241 11.099,242 3.718,243 19.407,244 12.325,245 24.924,246 12.342,247 3.525,248 15.052,249 21.445,250 13.624,251 27.628,252 13.64,253 14.429,254 23.491,255 14.901,256 30.314,257 14.916,258 25.541,259 16.195,260 33.012,261 16.211,262 27.596,263 2.93,264 17.484,265 35.705,266 17.5,267 1.862,268 6.299,269 29.654,270 18.779,271 38.403,272 18.795,273 1.594,274 5.322,275 31.714,276 2.297,277 20.073,278 41.098,279 20.09,280 4696,281 16.701,282 33.33,283 43.878,284 5.75,285 5.91,286 7.22,287 5.719,288 5.718,289 6.403,290 23.794,291 12.889,292 1.606,293 1.575,294 1.705,295 5.281,296 1.593,297 4.15,298 3.893,299 3.926,300 3.807,301 3.809,302 7.425,303 3.803,304 3.571,305 3.462,306 3.427,307 3.419,308 3.492,309 3.242,310 3.288,311 3.266,312 3.849,313 3.246,314 3.049,315 3.83,316 3.101,317 3.197,318 3.731,319 3.008,320 3.095,321 3.695,322 0.183,323 4.75,324 0.148,325 3.91,326 7.962,327 4.719,328 3.718,329 15.052,330 3.721,331 2.052,332 2.02,333 2.145,334 1.351,335 1.252,336 1.37,337 1.317,338 1.284,339 1.215,340 1.508,341 1.544,342 1.39,343 1.251,344 3.97,345 4.844,346 8.793,347 7.066,348 10.597,349 30.332,350 62.134,351 136.434,352 223.541,353 47.682,354 23,355 13.028,356 67,357 68,358 0.254,359 332.08,360 14.86,361 9.576,362 9.2,363 7.537,364 9.604,365 0.262,366 9.254,367 9.806,368 0.136,369 9.806,370 0.083,371 7.227,372 0.376,373 0.245,374 0.77,375 255.471,376 249.316,377 232,378 3.407,379 3.893,380 4.052,381 3.771,382 13.213,383 8.476,384 16.084,385 40.773,386 42,387 3.191,388 1.108,389 8,390 31,391 11.84,392 4.556,393 48,394 3.821,395 3.53,396 3.768,397 4.979} {0 CHEMBL110739,1 8.8,3 4.081,4 4.198,5 3.633,6 5.013,7 3.573,8 4.748,9 4.923,10 4.179,11 5.582,12 5.199,13 5.402,14 4.199,15 4.504,16 6.098,17 4.379,18 5.456,19 5.699,20 4.234,21 4.623,22 6.271,23 4.462,24 5.569,25 5.847,26 4.534,27 6.436,28 5.395,29 5.703,30 6.28,31 4.989,32 5.286,33 5.966,34 0.735,35 6.311,36 1.356,37 26.369,38 11.728,39 2.002,40 41.81,41 17.363,42 23.898,43 0.346,44 2.438,45 53.684,46 21.24,47 75.513,48 29.946,49 0.712,50 2.44,51 61.103,52 21.114,53 130.209,54 30.299,55 0.831,56 0.585,57 34.101,58 61.529,59 4,60 2,61 18,62 30,63 29,64 6,65 15.928,66 13.665,67 13.665,68 13.665,69 13.665,70 13.665,71 13.63,72 3.955,73 477,74 35.792,75 119.29,76 59.214,77 132.084,78 1.424,79 38.265,80 1,81 220,82 4.781,83 3.947,84 8.003,85 4.75,86 3.751,87 15.287,88 3.746,89 4.583,90 7.844,91 4.531,92 3.529,93 14.539,94 2.986,95 5.889,96 3.311,97 5.521,98 2.355,99 6.798,100 2.326,101 5.128,102 3.121,103 2.113,104 6.065,105 2.1,106 4.83,107 2.741,108 1.743,109 4.941,110 1.736,111 4.399,112 2.041,113 2.948,114 3.267,115 1.449,116 3.174,117 1.1,118 2.821,119 0.828,120 2.77,121 2.597,122 0.038,123 0.78,124 0.18,125 15,126 36.39,127 1.456,128 29.567,129 0.47,130 0.099,131 0.373,132 0.725,133 1.17,134 0.936,135 0.821,136 7.5,137 5.556,138 3.757,139 0.842,140 0.384,141 0.264,142 0.096,143 5839,144 3.056,145 70.529,146 4.554,147 2.699,148 4.612,149 3.16,150 948.036,151 317.975,152 1.842,153 -0.093,154 0.042,155 0.104,156 0.087,157 5.29,158 17.76,159 3.367,160 4.22,161 5.583,162 5.58,163 3.367,164 11.692,165 12.667,167 55,168 28,169 58,170 4,171 2,172 2,173 8,174 4,175 8,176 17,177 4,178 30,180 3,181 2,182 8,183 5,184 2,185 13.667,186 9.983,187 5.278,188 1.063,189 5.328,190 5.572,191 5.802,192 53,193 18.668,194 58.167,196 465.247,197 0.614,198 12,199 0.034,200 3,201 0.353,202 17,203 523.568,204 54.563,205 62.066,206 4.852,207 6.019,208 4.941,209 7.054,210 7.735,211 4.575,212 4.745,213 8.647,214 4.587,215 9.572,216 2.948,217 6.395,218 11.817,219 6.403,220 8.865,221 11.481,222 7.245,223 7.491,224 14.187,225 7.255,226 10.309,227 13.438,228 8.671,229 17.013,230 8.678,231 11.777,232 15.427,233 9.815,234 10.121,235 19.619,236 9.821,237 13.264,238 17.438,239 11.141,240 22.36,241 11.144,242 3.751,243 19.464,244 12.387,245 25.036,246 12.389,247 3.529,248 15.287,249 21.502,250 13.69,251 27.754,252 13.691,253 14.539,254 23.549,255 14.973,256 30.453,257 14.971,258 25.601,259 16.273,260 33.165,261 16.27,262 27.658,263 2.986,264 17.569,265 35.871,266 17.565,267 2.113,268 6.798,269 29.718,270 18.87,271 38.582,272 18.865,273 1.743,274 6.065,275 31.781,276 2.355,277 20.172,278 41.292,279 20.165,280 5725,281 17.8,282 34.239,283 47.791,284 5.781,285 5.947,286 7.547,287 5.75,288 5.751,289 6.424,290 24.049,291 14.83,292 1.591,293 1.555,294 1.674,295 5.236,296 1.558,297 4.15,298 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