@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL5653

@attribute molecule_id {CHEMBL1157,CHEMBL1162485,CHEMBL1162486,CHEMBL1162487,CHEMBL1162488,CHEMBL1162491,CHEMBL1162495,CHEMBL14184,CHEMBL177756,CHEMBL320358,CHEMBL376503,CHEMBL461,CHEMBL463,CHEMBL521,CHEMBL548,CHEMBL589366,CHEMBL607712,CHEMBL897}
@attribute GATS5i numeric
@attribute GATS5p numeric
@attribute GATS7e numeric
@attribute MATS2i numeric
@attribute MATS2m numeric
@attribute MATS2v numeric
@attribute MATS5p numeric
@attribute ATS5p numeric
@attribute ATS6p numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7p numeric
@attribute ATSC7p numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_06_LL numeric
@attribute SpMax3_Bh.e. numeric
@attribute SpMax3_Bh.i. numeric
@attribute SpMax3_Bh.m. numeric
@attribute SpMax3_Bh.p. numeric
@attribute SpMax3_Bh.v. numeric
@attribute SpMax5_Bh.p. numeric
@attribute SpMax5_Bh.v. numeric
@attribute SpMin3_Bh.e. numeric
@attribute SpMin3_Bh.i. numeric
@attribute SpMin5_Bh.i. numeric
@attribute ATS7s numeric
@attribute ATSC7e numeric
@attribute GATS7s numeric
@attribute GATS8v numeric
@attribute MATS7e numeric
@attribute TIE numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1p 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 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 ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6i numeric
@attribute ATS7i numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8v numeric
@attribute ATSC3i numeric
@attribute ATSC3p numeric
@attribute ATSC4i numeric
@attribute ATSC4m numeric
@attribute ATSC4p numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5v numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6v numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7v numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8v numeric
@attribute BBI numeric
@attribute BID numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_DL 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 CID numeric
@attribute CSI numeric
@attribute ECC numeric
@attribute Eig01_AEA.bo. 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.ed. numeric
@attribute Eig04_AEA.bo. numeric
@attribute Eig04_AEA.ed. numeric
@attribute Eig04_AEA.ri. numeric
@attribute Eig04_EA numeric
@attribute Eig04_EA.bo. numeric
@attribute Eig04_EA.ed. numeric
@attribute Eig04_EA.ri. numeric
@attribute Eig06_AEA.bo. numeric
@attribute Eig06_AEA.ed. numeric
@attribute Eig06_AEA.ri. numeric
@attribute Eig06_EA numeric
@attribute Eig06_EA.bo. numeric
@attribute Eig06_EA.ed. numeric
@attribute Eig06_EA.ri. numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig07_AEA.ed. numeric
@attribute Eig07_AEA.ri. numeric
@attribute Eig07_EA numeric
@attribute Eig07_EA.bo. numeric
@attribute Eig07_EA.ed. numeric
@attribute Eig07_EA.ri. numeric
@attribute Eig08_AEA.dm. numeric
@attribute Eig08_AEA.ri. numeric
@attribute Eig09_AEA.ed. numeric
@attribute Eig10_AEA.bo. numeric
@attribute Eig10_AEA.ed. numeric
@attribute Eig11_AEA.ed. numeric
@attribute Eig12_AEA.ed. numeric
@attribute Eig13_AEA.ed. numeric
@attribute Eig14_AEA.ed. numeric
@attribute Eig15_AEA.ed. numeric
@attribute Eta_alpha numeric
@attribute Eta_B numeric
@attribute Eta_C numeric
@attribute Eta_epsi numeric
@attribute Eta_L numeric
@attribute GGI1 numeric
@attribute GGI3 numeric
@attribute GGI4 numeric
@attribute GGI5 numeric
@attribute GGI6 numeric
@attribute GGI7 numeric
@attribute GMTI numeric
@attribute HDcpx numeric
@attribute IDDE numeric
@attribute IDDM numeric
@attribute IDET numeric
@attribute IDM numeric
@attribute IDMT numeric
@attribute ISIZ numeric
@attribute IVDM numeric
@attribute LPRS numeric
@attribute MATS1m numeric
@attribute MDDD numeric
@attribute MPC01 numeric
@attribute MPC02 numeric
@attribute MPC03 numeric
@attribute MPC04 numeric
@attribute MPC05 numeric
@attribute MPC06 numeric
@attribute MPC07 numeric
@attribute MPC08 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 nAT numeric
@attribute nBO numeric
@attribute nBT numeric
@attribute nC numeric
@attribute nSK numeric
@attribute ON0 numeric
@attribute ON0V numeric
@attribute ON1 numeric
@attribute ON1V numeric
@attribute piID numeric
@attribute piPC03 numeric
@attribute piPC07 numeric
@attribute piPC08 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_p_3 numeric
@attribute P_VSA_v_3 numeric
@attribute PW4 numeric
@attribute Qindex numeric
@attribute Ram numeric
@attribute RDCHI numeric
@attribute RDSQ numeric
@attribute S0K numeric
@attribute S1K 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 numeric
@attribute SM02_EA.ed. numeric
@attribute SM02_EA.ri. numeric
@attribute SM03_AEA.bo. numeric
@attribute SM03_AEA.ed. numeric
@attribute SM03_EA numeric
@attribute SM03_EA.ed. numeric
@attribute SM03_EA.ri. numeric
@attribute SM04_AEA.bo. numeric
@attribute SM04_AEA.ed. 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.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.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.dm. numeric
@attribute SM10_AEA.ed. numeric
@attribute SM10_EA numeric
@attribute SM10_EA.ed. numeric
@attribute SM10_EA.ri. numeric
@attribute SM11_AEA.ed. numeric
@attribute SM11_EA numeric
@attribute SM11_EA.ed. numeric
@attribute SM11_EA.ri. numeric
@attribute SM12_AEA.bo. numeric
@attribute SM12_AEA.ed. numeric
@attribute SM12_EA numeric
@attribute SM12_EA.ed. numeric
@attribute SM12_EA.ri. numeric
@attribute SM13_AEA.dm. numeric
@attribute SM13_AEA.ed. numeric
@attribute SM13_EA numeric
@attribute SM13_EA.ed. numeric
@attribute SM13_EA.ri. numeric
@attribute SM14_AEA.bo. numeric
@attribute SM14_AEA.ed. numeric
@attribute SM14_AEA.ri. 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_EA numeric
@attribute SM15_EA.ed. numeric
@attribute SM15_EA.ri. numeric
@attribute SMTI numeric
@attribute SNar numeric
@attribute Sp 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.ri. numeric
@attribute SpDiam_EA numeric
@attribute SpDiam_EA.ed. numeric
@attribute SpDiam_EA.ri. numeric
@attribute SPI numeric
@attribute SpMAD_EA.dm. numeric
@attribute SpMax1_Bh.e. numeric
@attribute SpMax1_Bh.i. numeric
@attribute SpMax1_Bh.m. numeric
@attribute SpMax1_Bh.p. numeric
@attribute SpMax1_Bh.v. numeric
@attribute SpMax2_Bh.e. numeric
@attribute SpMax2_Bh.i. numeric
@attribute SpMax2_Bh.p. numeric
@attribute SpMax2_Bh.v. numeric
@attribute SpMax4_Bh.m. numeric
@attribute SpMax5_Bh.e. numeric
@attribute SpMax5_Bh.i. 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.s. numeric
@attribute SpMax8_Bh.v. numeric
@attribute SpMaxA_AEA.bo. numeric
@attribute SpMaxA_AEA.dm. numeric
@attribute SpMaxA_AEA.ed. numeric
@attribute SpMaxA_AEA.ri. numeric
@attribute SpMaxA_EA numeric
@attribute SpMax_AEA.bo. numeric
@attribute SpMax_AEA.ed. numeric
@attribute SpMax_AEA.ri. numeric
@attribute SpMaxA_EA.ri. numeric
@attribute SpMax_EA numeric
@attribute SpMax_EA.ed. numeric
@attribute SpMax_EA.ri. numeric
@attribute SpMin2_Bh.e. numeric
@attribute SpMin2_Bh.i. numeric
@attribute SpMin2_Bh.m. numeric
@attribute SpMin2_Bh.p. numeric
@attribute SpMin2_Bh.v. numeric
@attribute SpMin3_Bh.m. numeric
@attribute SpMin3_Bh.p. numeric
@attribute SpMin3_Bh.s. numeric
@attribute SpMin3_Bh.v. numeric
@attribute SpMin4_Bh.v. numeric
@attribute SpMin5_Bh.e. 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.v. numeric
@attribute SRW02 numeric
@attribute SRW04 numeric
@attribute SRW06 numeric
@attribute SRW08 numeric
@attribute SRW10 numeric
@attribute Sv numeric
@attribute TIC1 numeric
@attribute TIC2 numeric
@attribute TIC3 numeric
@attribute TIC4 numeric
@attribute TIC5 numeric
@attribute TPC numeric
@attribute TWC numeric
@attribute UNIP numeric
@attribute VAR 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 X1Kup numeric
@attribute X1Mad numeric
@attribute X1MulPer numeric
@attribute X1Per numeric
@attribute X1sol numeric
@attribute X1v numeric
@attribute X2 numeric
@attribute X2A numeric
@attribute X2sol numeric
@attribute X2v numeric
@attribute X3 numeric
@attribute X3A numeric
@attribute X3sol numeric
@attribute X3v numeric
@attribute X4 numeric
@attribute X4sol numeric
@attribute X4v numeric
@attribute X5 numeric
@attribute X5A numeric
@attribute X5sol numeric
@attribute X5v numeric
@attribute XMOD numeric
@attribute Xt numeric
@attribute Xu numeric
@attribute ZM1 numeric
@attribute ZM1Mad numeric
@attribute ZM2 numeric
@attribute ZM2Mad numeric
@attribute ATSC7s numeric
@attribute Uindex numeric
@attribute CATS2D_08_NL numeric
@attribute DLS_02 numeric
@attribute DLS_03 numeric
@attribute IVDE numeric
@attribute P_VSA_MR_5 numeric
@attribute ATSC1i numeric
@attribute ATSC1p numeric
@attribute ATSC2i numeric
@attribute ATSC2p numeric
@attribute ATSC3v numeric
@attribute ATSC4v numeric
@attribute CATS2D_08_LL numeric
@attribute D.Dtr06 numeric
@attribute Eig15_EA numeric
@attribute Eig15_EA.bo. numeric
@attribute Eig15_EA.ed. numeric
@attribute Eig15_EA.ri. numeric
@attribute GATS2p numeric
@attribute Hypertens.80 numeric
@attribute MATS2p numeric
@attribute MATS5i numeric
@attribute P_VSA_s_4 numeric
@attribute SM09_AEA.dm. numeric
@attribute SM10_AEA.ri. numeric
@attribute SpMin1_Bh.v. numeric
@attribute pXC50 numeric

@data
{1 0.839,2 0.819,3 0.015,4 -0.313,5 0.022,6 -0.291,7 -0.008,8 2.157,9 1.713,10 1.82,11 2.601,12 1.153,13 0.393,16 3.108,17 3.116,18 2.989,19 2.761,20 2.817,21 1.808,22 1.798,23 0.93,24 0.914,25 0.072,26 5.178,27 0.381,28 0.03,29 0.908,30 1.749,31 31.523,32 0.502,33 0.252,34 32.739,35 3.061,36 3.154,37 2.504,38 2.417,39 2.429,40 3.536,41 3.697,42 2.736,43 2.685,44 2.632,45 3.821,46 4.058,47 2.461,48 2.682,49 2.585,50 3.647,51 3.894,52 2.318,53 2.464,54 4.826,55 2.383,56 3.403,57 3.623,58 2.173,59 2.14,60 3.079,61 3.249,62 2.715,63 1.348,64 1.792,65 1.923,66 0.37,67 0.526,68 0.561,69 0.313,70 2.651,71 0.247,72 9.829,73 2.089,74 0.175,75 7.754,76 1.417,77 2.338,78 0.102,79 5.68,80 0.745,81 1.24,82 0.05,83 3.606,84 0.731,85 0.016,86 1.518,87 0.102,88 0.174,89 10,90 2.428,94 72,95 6.104,96 6.104,97 6.104,98 6.104,99 6.104,100 5.69,101 6.284,102 4,103 6.115,104 4.449,105 4.449,106 4.449,107 4.449,108 4.449,109 3.808,110 3.785,111 1.943,112 4.461,113 2.836,114 2.97,115 100,116 58,117 3.573,118 4.694,119 3.284,120 2.278,121 5.27,122 2.267,123 4.618,124 1.485,125 2.382,126 1.319,127 0.311,128 0.335,129 0.636,130 0.308,131 0.433,132 1,134 -1,135 -1.271,136 -2,137 -0.961,138 0.204,139 1,140 -0.036,141 -1,142 -1.414,143 -2,144 -1,145 -0.97,146 -0.496,147 0.306,155 4.333,156 0.288,157 6.559,158 13.067,159 2.829,160 2.5,161 0.375,162 0.24,163 0.111,164 0.163,166 433,167 1.376,168 1.922,169 3.295,170 122.614,171 5.252,172 793.022,173 86.439,174 3.197,175 33.887,176 -0.092,177 5.44,178 2.303,179 2.398,180 2.079,181 1.946,182 1.792,183 1.609,184 1.609,186 146.16,187 2.303,188 3.664,189 4.29,190 5.017,191 5.666,192 6.392,193 7.052,194 7.773,195 8.44,196 9.156,197 20,198 9,199 19,200 6,201 10,202 6.667,203 3.233,204 2.417,205 1.183,206 4.317,207 2.303,208 2.303,210 7,211 3.649,212 1.399,213 6.388,214 4.483,215 11.958,216 11.958,217 11.958,218 11.958,219 0.082,220 2,221 2,222 2.142,223 38.042,224 23.219,225 9.273,226 241.783,227 20.727,228 22.914,229 3.584,230 4.205,231 -2,232 3.045,233 4.654,234 3.037,235 4.682,236 5.565,237 2.565,238 4.977,239 2.527,240 5.886,241 7.009,242 4.29,243 7.633,244 4.277,245 7.108,246 8.493,247 4.394,248 8.572,249 4.344,250 8.349,251 9.997,252 5.733,253 10.784,254 5.71,255 9.597,256 11.513,257 6.107,258 11.999,259 6.049,260 10.852,261 13.036,262 7.256,263 13.997,264 7.221,265 2.278,266 14.564,267 7.779,268 15.368,269 7.713,270 5.27,271 16.095,272 8.816,273 17.241,274 8.768,275 17.629,276 9.43,277 18.708,278 9.356,279 0.311,280 19.164,281 10.396,282 20.504,283 10.334,284 0.636,285 20.7,286 11.069,287 22.032,288 10.986,289 -1,290 22.237,291 0.335,292 11.988,293 23.778,294 11.914,295 -1,296 -2,297 23.775,298 12.702,299 25.347,300 12.61,301 550,302 4.97,303 11.625,304 12.292,305 12.725,306 12.269,307 12.204,308 12.154,309 14.333,310 27.262,311 12.083,312 4.178,313 4.17,314 9.593,315 4.164,316 6.683,317 1.04,318 3.764,319 3.807,320 3.642,321 3.608,322 3.605,323 3.498,324 3.507,325 3.247,326 3.279,327 2.396,328 2.244,329 2.371,330 2.03,331 2.137,332 1.787,333 1.514,334 1.482,335 1.951,336 1.996,337 1.679,338 1.286,339 1.378,340 1.86,341 1.976,342 1.326,343 1.278,344 2.155,345 1.342,346 0.397,347 0.4,348 0.522,349 0.365,350 0.253,351 3.573,352 4.694,353 3.284,354 0.252,355 2.278,356 5.27,357 2.267,358 1.385,359 1.36,360 1.609,361 1.663,362 1.632,363 1.177,364 1.321,365 0.26,366 1.263,367 0.95,368 0.198,369 0.723,370 0.677,372 0.714,375 0.635,376 0.463,378 0.525,381 0.154,382 0.324,384 0.264,387 0.152,388 0.303,389 0.259,390 2.944,391 4.078,392 5.323,393 6.616,394 7.933,395 11.493,396 50.439,397 58.439,398 58.439,399 58.439,400 58.439,401 4.025,402 9.841,403 23,404 14,405 78.455,406 142.24,407 183.189,408 151,409 7.983,410 7.983,411 5.539,412 4.626,413 3.004,414 4.328,415 2.969,416 2.473,417 4.626,418 3.063,419 4.072,420 0.407,421 4.072,422 1.995,423 1.813,424 0.259,425 1.813,426 1.031,427 1.105,428 1.105,429 0.552,430 0.661,431 0.132,432 0.661,433 0.276,434 30.065,435 0.449,436 10.697,437 38,438 46.856,439 36,440 41.316,441 79.622,442 27.458,444 0.83,445 0.83,446 1.522,447 10.138,448 0.223,449 1.812,450 0.308,451 2.618,452 4.233,453 3.436,460 1.582,462 -0.341,463 -0.032,467 1.932,468 6.389}
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