@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3277 @attribute molecule_id {CHEMBL1213370,CHEMBL1213371,CHEMBL1213372,CHEMBL305824,CHEMBL306578,CHEMBL308968,CHEMBL312142,CHEMBL74742,CHEMBL74743,CHEMBL77277,CHEMBL77919,CHEMBL80215,CHEMBL80579,CHEMBL80767} @attribute AMR numeric @attribute ARR numeric @attribute ATS1m numeric @attribute ATS1s numeric @attribute ATS2m numeric @attribute ATS2s numeric @attribute ATS3m numeric @attribute ATS3s numeric @attribute ATS4m numeric @attribute ATS4s numeric @attribute ATS5m numeric @attribute ATS5s numeric @attribute ATS6s numeric @attribute ATS8m numeric @attribute ATS8s numeric @attribute ATSC4s numeric @attribute ATSC8s numeric @attribute BAC numeric @attribute BBI numeric @attribute BID 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.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.ed. numeric @attribute Chi1_EA.ri. numeric @attribute CID numeric @attribute CSI numeric @attribute DBI numeric @attribute D.Dtr06 numeric @attribute DLS_cons numeric @attribute Dz numeric @attribute ECC numeric @attribute Eig04_AEA.ri. numeric @attribute Eig04_EA.ri. numeric @attribute Eig05_EA.ri. numeric @attribute Eig07_AEA.ed. numeric @attribute Eig07_AEA.ri. numeric @attribute Eig07_EA numeric @attribute Eig07_EA.ri. numeric @attribute Eig08_AEA.bo. numeric @attribute Eig08_AEA.ed. numeric @attribute Eig08_EA.bo. numeric @attribute Eig09_AEA.bo. numeric @attribute Eig09_AEA.dm. numeric @attribute Eig09_AEA.ed. numeric @attribute Eig09_AEA.ri. numeric @attribute Eig09_EA numeric @attribute Eig09_EA.bo. numeric @attribute Eig09_EA.ed. numeric @attribute Eig09_EA.ri. 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.dm. numeric @attribute Eig11_AEA.ri. numeric @attribute Eig11_EA numeric @attribute Eig11_EA.bo. numeric @attribute Eig11_EA.ed. numeric @attribute Eig11_EA.ri. numeric @attribute Eig12_AEA.bo. numeric @attribute Eig12_AEA.dm. numeric @attribute Eig12_AEA.ed. numeric @attribute Eig12_AEA.ri. numeric @attribute Eig12_EA.ed. numeric @attribute Eig13_AEA.bo. numeric @attribute Eig13_AEA.dm. numeric @attribute Eig13_AEA.ed. numeric @attribute Eig13_AEA.ri. numeric @attribute Eig13_EA numeric @attribute Eig13_EA.bo. numeric @attribute Eig13_EA.ed. numeric @attribute Eig13_EA.ri. numeric @attribute Eig14_AEA.bo. numeric @attribute Eig14_AEA.dm. numeric @attribute Eig14_AEA.ed. numeric @attribute Eig14_AEA.ri. numeric @attribute Eig14_EA numeric @attribute Eig14_EA.bo. numeric @attribute Eig14_EA.ed. numeric @attribute Eig14_EA.ri. numeric @attribute Eig15_AEA.bo. numeric @attribute Eig15_AEA.dm. numeric @attribute Eig15_AEA.ed. numeric @attribute Eig15_AEA.ri. numeric @attribute Eig15_EA numeric @attribute Eig15_EA.bo. numeric @attribute Eig15_EA.ed. numeric @attribute Eig15_EA.ri. numeric @attribute Eta_alpha numeric @attribute Eta_beta_A numeric @attribute Eta_betaP_A numeric @attribute Eta_epsi numeric @attribute GGI10 numeric @attribute GMTI numeric @attribute GMTIV numeric @attribute HDcpx numeric @attribute IAC numeric @attribute IC5 numeric @attribute IDDM numeric @attribute IDET numeric @attribute IDM numeric @attribute IDMT numeric @attribute IVDM numeric @attribute JGI1 numeric @attribute LPRS numeric @attribute MATS1e numeric @attribute MATS1s numeric @attribute MATS2m numeric @attribute MATS7p numeric @attribute MAXDP numeric @attribute MCD numeric @attribute MDDD numeric @attribute MPC01 numeric @attribute MPC02 numeric @attribute MPC03 numeric @attribute MPC04 numeric @attribute MPC05 numeric @attribute MW numeric @attribute MWC01 numeric @attribute MWC02 numeric @attribute MWC03 numeric @attribute MWC04 numeric @attribute MWC05 numeric @attribute MWC06 numeric @attribute MWC07 numeric @attribute MWC08 numeric @attribute MWC09 numeric @attribute MWC10 numeric @attribute nBO numeric @attribute nSK numeric @attribute ON0 numeric @attribute ON1 numeric @attribute PHI numeric @attribute piPC01 numeric @attribute Pol numeric @attribute Psi_e_0 numeric @attribute Psi_e_1 numeric @attribute Psi_i_0 numeric @attribute Psi_i_1 numeric @attribute P_VSA_e_2 numeric @attribute P_VSA_i_2 numeric @attribute P_VSA_LogP_2 numeric @attribute P_VSA_MR_5 numeric @attribute P_VSA_p_3 numeric @attribute P_VSA_s_3 numeric @attribute P_VSA_v_3 numeric @attribute RDCHI numeric @attribute RDSQ numeric @attribute S0K numeric @attribute S1K numeric @attribute S2K numeric @attribute SCBO numeric @attribute SM02_AEA.bo. numeric @attribute SM02_AEA.ed. numeric @attribute SM02_EA numeric @attribute SM02_EA.ed. numeric @attribute SM02_EA.ri. numeric @attribute SM03_AEA.bo. numeric @attribute SM03_AEA.dm. numeric @attribute SM03_AEA.ed. numeric @attribute SM04_AEA.bo. numeric @attribute SM04_AEA.dm. 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.dm. numeric @attribute SM05_AEA.ed. numeric @attribute SM05_AEA.ri. numeric @attribute SM06_AEA.bo. numeric @attribute SM06_AEA.ed. numeric @attribute SM06_AEA.ri. numeric @attribute SM06_EA numeric @attribute SM06_EA.ed. numeric @attribute SM07_AEA.bo. numeric @attribute SM07_AEA.dm. numeric @attribute SM07_AEA.ed. numeric @attribute SM07_AEA.ri. numeric @attribute SM08_AEA.bo. numeric @attribute SM08_AEA.dm. numeric @attribute SM08_AEA.ed. numeric @attribute SM08_AEA.ri. numeric @attribute SM08_EA numeric @attribute SM08_EA.ed. numeric @attribute SM09_AEA.dm. numeric @attribute SM09_AEA.ed. numeric @attribute SM09_AEA.ri. numeric @attribute SM10_AEA.ed. numeric @attribute SM10_AEA.ri. numeric @attribute SM10_EA numeric @attribute SM11_AEA.ed. numeric @attribute SM12_AEA.ed. numeric @attribute SM12_EA numeric @attribute SM13_AEA.ed. numeric @attribute SM14_AEA.ed. numeric @attribute SM14_EA numeric @attribute SM15_AEA.bo. numeric @attribute SMTI numeric @attribute SMTIV numeric @attribute SNar numeric @attribute SpAD_AEA.bo. numeric @attribute SpAD_AEA.dm. numeric @attribute SpAD_AEA.ed. numeric @attribute SpAD_AEA.ri. numeric @attribute SpAD_EA numeric @attribute SpAD_EA.bo. numeric @attribute SpAD_EA.ed. numeric @attribute SpAD_EA.ri. numeric @attribute SpDiam_AEA.bo. numeric @attribute SpDiam_AEA.ed. numeric @attribute SPI numeric @attribute SpMax2_Bh.p. numeric @attribute SpMax4_Bh.m. 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.s. numeric @attribute SpMax7_Bh.v. numeric @attribute SpMaxA_AEA.bo. numeric @attribute SpMaxA_AEA.ri. numeric @attribute SpMaxA_EA numeric @attribute SpMaxA_EA.bo. numeric @attribute SpMin2_Bh.p. numeric @attribute SpMin5_Bh.e. numeric @attribute SpMin5_Bh.i. numeric @attribute SpMin5_Bh.p. 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.v. numeric @attribute SpMin7_Bh.p. numeric @attribute SpMin7_Bh.v. numeric @attribute SRW02 numeric @attribute SRW04 numeric @attribute SRW06 numeric @attribute SRW08 numeric @attribute SRW10 numeric @attribute Sv numeric @attribute TIC0 numeric @attribute TIC1 numeric @attribute TIE numeric @attribute TPC numeric @attribute TWC numeric @attribute Uindex numeric @attribute UNIP numeric @attribute VvdwMG numeric @attribute VvdwZAZ numeric @attribute Vx numeric @attribute Wap numeric @attribute X0 numeric @attribute X0sol numeric @attribute X0v numeric @attribute X1 numeric @attribute X1Mad numeric @attribute X1sol numeric @attribute X2 numeric @attribute X2sol numeric @attribute X3 numeric @attribute X3sol numeric @attribute X4 numeric @attribute X4sol numeric @attribute X5 numeric @attribute X5sol numeric @attribute XMOD numeric @attribute Xt numeric @attribute Xu numeric @attribute ZM1 numeric @attribute ZM1Mad numeric @attribute ZM2 numeric @attribute ZM2Mad numeric @attribute MATS5e numeric @attribute MATS5i numeric @attribute MATS6e numeric @attribute AAC numeric @attribute AECC numeric @attribute ALOGP numeric @attribute ALOGP2 numeric @attribute AMW 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 ATS4p numeric @attribute ATS4v numeric @attribute ATS5e numeric @attribute ATS5i numeric @attribute ATS5p numeric @attribute ATS5v numeric @attribute ATS6e numeric @attribute ATS6i numeric @attribute ATS6m 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 ATS8p 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 ATSC2s 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 ATSC4v 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 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 ATSC8v numeric @attribute BIC0 numeric @attribute BIC1 numeric @attribute BIC2 numeric @attribute BIC3 numeric @attribute BIC4 numeric @attribute BIC5 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.005 numeric @attribute C.006 numeric @attribute C.016 numeric @attribute C.019 numeric @attribute C.020 numeric @attribute C.024 numeric @attribute C.025 numeric @attribute C.026 numeric @attribute C.029 numeric @attribute C.032 numeric @attribute C.036 numeric @attribute C.037 numeric @attribute C.040 numeric @attribute C.041 numeric @attribute CATS2D_01_AA numeric @attribute CATS2D_01_AN numeric @attribute CATS2D_01_DN numeric @attribute CATS2D_01_LL numeric @attribute CATS2D_01_NL numeric @attribute CATS2D_02_AA numeric @attribute CATS2D_02_AL numeric @attribute CATS2D_02_DD numeric @attribute CATS2D_02_DL numeric @attribute CATS2D_02_LL numeric @attribute CATS2D_02_NL numeric @attribute CATS2D_03_AA numeric @attribute CATS2D_03_AL numeric @attribute CATS2D_03_DA numeric @attribute CATS2D_03_DD numeric @attribute pXC50 numeric @data {1 90.447,2 0.231,3 3.465,4 5.139,5 3.755,6 5.714,7 3.724,8 5.801,9 3.64,10 5.876,11 3.456,12 5.691,13 5.481,14 3.186,15 5.287,16 98.035,17 58.524,18 18,19 33,20 3.264,21 961,22 16.621,23 16.621,24 16.621,25 16.621,26 16.621,27 15.053,28 10.363,29 16.867,30 12.884,31 12.884,32 12.884,33 12.884,34 12.884,35 10.371,36 5.007,37 13.226,38 3.932,39 674,40 3.674,41 200.75,42 0.88,43 57,44 327,45 3.039,46 1.998,47 1.911,48 3.773,49 2.445,50 1.472,51 1.426,52 2.597,53 3.502,54 1.552,55 2.529,56 1.386,57 3.435,58 2.005,59 1,60 1.475,61 2.323,62 0.994,63 2.111,64 1.18,65 3.101,66 1.786,67 0.84,68 0.991,69 1.798,70 0.791,71 1.472,72 0.87,73 1.202,74 0.274,75 0.312,76 0.608,77 0.252,78 1.167,79 0.763,80 2.382,81 0.734,82 -0.57,83 1,84 0.566,85 2.329,86 0.684,87 -0.347,88 -0.476,89 -0.891,90 -0.353,91 0.897,92 0.44,93 2,94 0.538,95 -0.488,96 -0.574,97 -1.177,98 -0.484,99 0.732,100 0.43,101 2,102 0.32,103 -0.679,104 -0.885,105 -1.53,106 -0.668,107 11.267,108 1.19,109 0.54,110 28.333,111 0.107,112 8634,113 32166,114 1.667,115 74.661,116 5.24,117 4.622,118 1168.8,119 7.92,120 16378.9,121 4.575,122 0.192,123 127.341,124 -0.066,125 -0.064,126 -0.034,127 0.005,128 4.122,129 0.48,130 24.982,131 3.296,132 3.526,133 3.638,134 3.807,135 3.892,136 346.38,137 3.296,138 4.779,139 5.557,140 6.378,141 7.171,142 7.997,143 8.795,144 9.623,145 10.424,146 11.253,147 26,148 25,149 13.5,150 5.694,151 7.286,152 3.555,153 31,154 9.188,155 3.794,156 16.708,157 12.74,158 86.785,159 86.785,160 47.36,161 84.77,162 86.785,163 30.357,164 86.785,165 3.925,166 173.106,167 116.096,168 18.801,169 9.688,170 34,171 4.749,172 5.493,173 4.205,174 6.163,175 4.16,176 5.906,177 1,178 6.963,179 7.166,180 0.84,181 8.528,182 2.323,183 5.659,184 9.782,185 5.579,186 8.454,187 0.274,188 10.148,189 1.798,190 9.771,191 11.804,192 0.608,193 7.357,194 13.688,195 11.107,196 -0.347,197 13.484,198 -0.57,199 12.46,200 -0.488,201 15.182,202 -0.891,203 9.201,204 17.743,205 -0.679,206 16.893,207 -1.177,208 18.614,209 -1.53,210 11.134,211 20.344,212 22.08,213 13.12,214 23.822,215 25.569,216 15.137,217 1.472,218 8585,219 16711,220 16.989,221 37.691,222 40.371,223 37.692,224 36.929,225 37.041,226 46.912,227 95.777,228 36.182,229 5.16,230 5.865,231 13.585,232 3.666,233 3.329,234 3.276,235 3.31,236 3.179,237 3.006,238 3.04,239 3.138,240 3.179,241 3.046,242 2.917,243 2.937,244 3.048,245 3.055,246 2.993,247 2.744,248 4.465,249 2.801,250 0.162,251 0.147,252 0.108,253 0.147,254 1.982,255 1.172,256 1.119,257 1.454,258 1.418,259 1.048,260 1.01,261 1.238,262 1.326,263 1.298,264 1.203,265 1.165,266 3.97,267 5.22,268 6.642,269 8.153,270 9.712,271 27.347,272 74.661,273 172.31,274 63.25,275 6.529,276 11.833,277 52.468,278 127,279 173.2,280 316.57,281 414.369,282 6436,283 18.071,284 18.071,285 13.32,286 12.042,287 11.339,288 12.042,289 10.519,290 10.519,291 7.517,292 7.517,293 6.123,294 6.123,295 4.348,296 4.348,297 77.376,298 0.243,299 25.581,300 118,301 136.784,302 129,303 144.991,304 -0.126,305 0.059,306 -0.102,307 1.736,308 13.08,309 0.124,310 0.015,311 8.055,312 3.871,313 3.983,314 3.301,315 3.329,316 4.349,317 4.503,318 3.634,319 3.627,320 4.598,321 4.803,322 3.711,323 3.681,324 4.576,325 4.806,326 3.563,327 3.531,328 4.43,329 4.646,330 3.406,331 3.377,332 4.321,333 4.543,334 3.298,335 3.336,336 3.281,337 4.259,338 4.483,339 3.257,340 3.309,341 5.427,342 3.238,343 4.204,344 4.426,345 3.247,346 3.182,347 0.214,348 0.627,349 7.934,350 3.418,351 21.038,352 4.251,353 0.515,354 0.914,355 14.649,356 5.486,357 54.625,358 7.263,359 0.643,360 1.027,361 21.795,362 6.678,363 70.182,364 9.173,365 0.771,366 0.914,367 22.989,368 6.177,369 9.092,370 0.721,371 0.779,372 19.787,373 5.297,374 80.196,375 7.283,376 0.607,377 0.704,378 17.763,379 4.972,380 74.342,381 7,382 0.638,383 0.678,384 16.505,385 4.771,386 68.02,387 6.869,388 0.453,389 0.639,390 15.457,391 4.779,392 6.652,393 0.305,394 0.703,395 0.87,396 0.911,397 0.919,398 0.919,399 0.873,400 -2.16,401 -2.21,402 -2.18,403 37.2,405 1,407 3,408 1,409 1,411 4,412 2,417 1,418 2,419 1,420 1,421 1,422 1,423 6,424 1,426 4,427 1,428 4,429 6,430 2,432 6,434 1,435 5.886} {0 CHEMBL1213371,1 86.471,2 0.231,3 3.476,4 5.175,5 3.755,6 5.711,7 3.725,8 5.803,9 3.643,10 5.868,11 3.449,12 5.627,13 5.483,14 3.194,15 5.287,16 92.701,17 72.227,18 18,19 33,20 3.264,21 961,22 16.621,23 16.621,24 16.621,25 16.621,26 16.621,27 14.871,28 10.363,29 16.917,30 12.884,31 12.884,32 12.884,33 12.884,34 12.884,35 10.093,36 5.007,37 13.297,38 3.932,39 674,40 3.674,41 200.75,42 0.65,43 58,44 327,45 3.04,46 1.999,47 1.911,48 3.773,49 2.438,50 1.472,51 1.414,52 2.697,53 3.502,54 1.663,55 2.53,56 1.646,57 3.435,58 2.005,59 1,60 1.475,61 2.323,62 0.994,63 2.323,64 1.194,65 3.101,66 1.788,67 0.84,68 1.123,69 1.798,70 0.792,71 1.606,72 1.011,73 1.171,74 0.274,75 0.343,76 0.608,77 0.243,78 1.176,79 0.836,80 2.382,81 0.745,82 -0.57,83 1,84 0.719,85 2.329,86 0.684,87 -0.347,88 -0.476,89 -0.891,90 -0.353,91 0.916,92 0.529,93 2,94 0.534,95 -0.488,96 -0.597,97 -1.177,98 -0.478,99 0.737,100 0.435,101 2,102 0.32,103 -0.679,104 -0.895,105 -1.53,106 -0.672,107 11.1,108 1.26,109 0.6,110 27.9,111 0.107,112 8634,113 35457,114 1.667,115 70.715,116 5.08,117 4.622,118 1168.8,119 7.92,120 16378.9,121 4.575,122 0.192,123 127.341,124 -0.027,125 -0.078,126 -0.047,127 -0.082,128 4.047,129 0.48,130 24.982,131 3.296,132 3.526,133 3.638,134 3.807,135 3.892,136 346.33,137 3.296,138 4.779,139 5.557,140 6.378,141 7.171,142 7.997,143 8.795,144 9.623,145 10.424,146 11.253,147 26,148 25,149 13.5,150 5.694,151 6.979,152 3.584,153 31,154 9.136,155 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