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CCC(=O)NCCN1CCCC1 AIFCHEM-94526509910 [0,0,0,1,0,0|3,0,0]=4 82 B12R1.477 COC(=O)CCNC1CCCC1 AIFCHEM-94541525880 [0,0,0,1,0,0|1,0,0]=2 83 B9R0.2 CCCNCCCC(=O)O AIFCHEM-94569019960 [2,0,0,0,0,0|1,0,0]=3 84 B9R0.2 CCCNCCOC(=O)C AIFCHEM-94569015165 [2,0,0,0,0,0|2,0,0]=4 85 B9R0.2 CCNCCCNC(=O)C AIFCHEM-94537421360 [2,0,0,0,0,0|2,0,0]=4 86 B9R0.2 CCNCCOCC(=O)O AIFCHEM-94537411644 [2,0,0,0,0,0|2,0,0]=4 87 B9R0.2 CCNCCSCC(=O)O AIFCHEM-94535042891 [2,0,0,0,0,0|2,0,0]=4 88 B9R0.2 CCOCCCNC(=O)C AIFCHEM-94535598214 [2,0,0,0,0,0|2,0,0]=4 89 B9R0.45 CCCCCNCCCC AIFCHEM-94522650615 [2,0,0,0,0,0|1,0,1]=4 90 B9R0.45 CCNCCOCCOC AIFCHEM-94537420107 [2,0,0,0,0,0|2,0,0]=4 91 B11R0.2 CCCCCCC(C)NC(=O)C AIFCHEM-94605355494 [1,1,0,0,0,0|1,0,0]=3 92 B11R0.2 CCCCCC[C@@H](C)NC(=O)C AIFCHEM-94605352297 [1,1,0,0,0,0|1,0,0]=3 93 B11R0.2 CCCCCC[C@H](C)NC(=O)C AIFCHEM-94605352296 [1,1,0,0,0,0|1,0,0]=3 94 B11R0.2 CN(CCCCCO)CC(=O)O AIFCHEM-5621296516 [1,1,0,0,0,0|2,0,0]=4 95 B11R0.30 CC(=O)NCCCNCC(C)C AIFCHEM-94572980697 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[0,1,0,1,0,0|2,0,0]=4 266 B13R1.470 COCC(=O)NC1CCCCC1C AIFCHEM-5678733978 [0,1,0,1,0,0|1,0,0]=3 267 B13R1.470 COCC(=O)N[C@@H]1CCCC[C@@H]1C AIFCHEM-94605795246 [0,1,0,1,0,0|1,0,0]=3 268 B13R1.470 COCC(=O)N[C@@H]1CCCC[C@H]1C AIFCHEM-5773632243 [0,1,0,1,0,0|1,0,0]=3 269 B13R1.470 COCC(=O)N[C@@H]1CCCC[C@H]1F AIFCHEM-5846852230 [0,1,0,1,0,0|2,0,0]=4 270 B13R1.470 COCC(=O)N[C@H]1CCCC[C@H]1C AIFCHEM-5852277946 [0,1,0,1,0,0|1,0,0]=3 271 B13R1.654 O=C1NOC[C@@H]1NCCCCCO AIFCHEM-5673769567 [0,1,0,1,0,0|2,0,0]=4 272 B13R1.654 O=C1NOC[C@H]1NCCCCCO AIFCHEM-5650359911 [0,1,0,1,0,0|2,0,0]=4 273 B13R1.1464 COCC(=O)N1CCCCCCC1 AIFCHEM-6028407560 [0,1,0,1,0,0|1,0,0]=3 274 B13R1.1575 CSCC(=O)NC1CCCCCC1 AIFCHEM-5670437882 [0,1,0,1,0,0|1,1,0]=4 275 B13R1.2851 CCCNCC1CC1C(=O)OCC AIFCHEM-5792751350 [0,1,0,1,0,0|1,0,0]=3 276 B13R1.2851 CCOC(=O)C1CC1CNCCO AIFCHEM-94577777403 [0,1,0,1,0,0|2,0,0]=4 277 B13R1.135 COC(=O)C(C)NC1CCCCC1 AIFCHEM-94601786961 [0,1,0,1,0,0|1,0,0]=3 278 B13R1.135 COC(=O)[C@@H](C)NC1CCCCC1 AIFCHEM-94601787695 [0,1,0,1,0,0|1,0,0]=3 279 B13R1.135 COC(=O)[C@H](C)NC1CCCCC1 AIFCHEM-94601791433 [0,1,0,1,0,0|1,0,0]=3 280 B13R1.554 COC(=O)C(C)NCC1CCOC1 AIFCHEM-5855994112 [0,1,0,1,0,0|2,0,0]=4 281 B13R1.554 COC(=O)[C@H](C)NCC1CCOC1 AIFCHEM-5778122342 [0,1,0,1,0,0|2,0,0]=4 282 B13R1.1151 CCCCCN1CC(C1)C(=O)NC AIFCHEM-94551437675 [0,1,0,1,0,0|2,0,0]=4 283 B13R1.1689 CCC(=O)N1CCCCCCCC1 AIFCHEM-94559703063 [0,1,0,1,0,0|1,0,0]=3 284 B13R1.2620 CCC(=O)N(C)C1CCCCCC1 AIFCHEM-94526507404 [0,1,0,1,0,0|2,0,0]=4 285 B13R1.493 CCCCN1CC(C1)CC(=O)OC AIFCHEM-94523030722 [0,1,0,1,0,0|1,0,0]=3 286 B13R1.528 CNC(=O)CNC1CCOCC1C AIFCHEM-94562540350 [0,1,0,1,0,0|2,0,0]=4 287 B13R1.717 CCC(C)CNCC1CNC(=O)C1 AIFCHEM-6186175673 [0,1,0,1,0,0|2,0,0]=4 288 B13R1.717 COC(=O)CCCN1CCC(C1)F AIFCHEM-94592437162 [0,1,0,1,0,0|1,0,0]=3 289 B13R1.717 COC(=O)CCCN1CCC(C1)O AIFCHEM-94592441837 [0,1,0,1,0,0|1,0,0]=3 290 B13R1.717 COC(=O)CCCN1CC[C@@H](C1)F AIFCHEM-94592435372 [0,1,0,1,0,0|1,0,0]=3 291 B13R1.717 COC(=O)CCCN1CC[C@@H](C1)O AIFCHEM-94554910243 [0,1,0,1,0,0|1,0,0]=3 292 B13R1.717 COC(=O)CCCN1CC[C@H](C1)F AIFCHEM-94601054369 [0,1,0,1,0,0|1,0,0]=3 293 B13R1.717 COC(=O)CCCN1CC[C@H](C1)O AIFCHEM-94571988268 [0,1,0,1,0,0|1,0,0]=3 294 B13R1.718 COC(=O)CCNC1CCCCC1 AIFCHEM-94601792405 [0,1,0,1,0,0|0,0,0]=2 295 B13R1.1737 COC(=O)CCCN(C)C1COC1 AIFCHEM-94592448055 [0,1,0,1,0,0|2,0,0]=4 296 B13R1.1739 COC(=O)CCCC(C)NC1CC1 AIFCHEM-94573313641 [0,1,0,1,0,0|1,0,0]=3 297 B13R1.1739 COC(=O)CCNC(=O)CC1CC1 AIFCHEM-6130056081 [0,1,0,1,0,0|1,0,1]=4 298 B13R1.2329 COC(=O)CCCN1CC(C1)CO AIFCHEM-94602327005 [0,1,0,1,0,0|2,0,0]=4 299 B13R1.2329 COC(=O)CCNC1CC(C1)CO AIFCHEM-6173777882 [0,1,0,1,0,0|2,0,0]=4 300 B13R1.191 CCCCCNC1CC(=O)N(C1)C AIFCHEM-94551438796 [0,1,0,1,0,0|2,0,0]=4 301 B13R1.545 CNC(=O)CC(C)NC1CCCC1 AIFCHEM-94542375150 [0,1,0,1,0,0|2,0,0]=4 302 B13R1.545 CNC(=O)CN(C)CC1CCCC1 AIFCHEM-94608446925 [0,1,0,1,0,0|2,0,0]=4 303 B13R1.545 COC(=O)CC(=O)NC1CCCC1 AIFCHEM-94549703662 [0,1,0,1,0,0|1,0,1]=4 304 B13R1.1264 CCCN1CC[C@@H]([C@@H]1C(=O)OC)O AIFCHEM-94569014369 [0,1,0,1,0,0|1,0,0]=3 305 B13R1.1788 COC(=O)CC(C)N[C@@H]1CC[C@H]1O AIFCHEM-6444645560 [0,1,0,1,0,0|2,0,0]=4 306 B13R1.15 CNC(=O)CNC1CCC[C@H](C1)C AIFCHEM-94588386120 [0,1,0,1,0,0|2,0,0]=4 307 B13R1.162 COC(=O)CNC(C)C1CCCO1 AIFCHEM-6192853252 [0,1,0,1,0,0|2,0,0]=4 308 B13R1.1711 CCC(=O)NCC1CCCCCC1 AIFCHEM-94532095214 [0,1,0,1,0,0|1,0,0]=3 309 B13R1.1711 COC(=O)CNC1CCCCCC1 AIFCHEM-94529614325 [0,1,0,1,0,0|0,0,0]=2 310 B13R1.1711 COC(C)CNC1CCCCCC1 AIFCHEM-94529615993 [0,1,0,1,0,0|1,0,1]=4 311 B13R1.1711 CO[C@@H](C)CNC1CCCCCC1 AIFCHEM-94529618253 [0,1,0,1,0,0|1,0,1]=4 312 B13R1.1711 CO[C@H](C)CNC1CCCCCC1 AIFCHEM-94608839728 [0,1,0,1,0,0|1,0,1]=4 313 B13R1.3545 COC(=O)CCC(C)NC1CSC1 AIFCHEM-5920186694 [0,1,0,1,0,0|2,0,0]=4 314 B13R1.3545 COC(=O)CCN(C)CC1CCC1 AIFCHEM-5773936745 [0,1,0,1,0,0|1,0,0]=3 315 B13R1.3987 CCCN1C[C@@H](C[C@@H]1C(=O)OC)O AIFCHEM-94569009503 [0,1,0,1,0,0|1,0,0]=3 316 B13R1.3987 CCCN1C[C@@H](C[C@H]1C(=O)OC)O AIFCHEM-94528899629 [0,1,0,1,0,0|1,0,0]=3 317 B13R1.3987 CCCN1C[C@H](C[C@@H]1C(=O)OC)O AIFCHEM-94569019078 [0,1,0,1,0,0|1,0,0]=3 318 B13R1.3987 CCCN1C[C@H](C[C@H]1C(=O)OC)O AIFCHEM-94569018346 [0,1,0,1,0,0|1,0,0]=3 319 B13R1.14 CNC(=O)CNC1CCC(CC1)O AIFCHEM-94562540904 [0,1,0,1,0,0|2,0,0]=4 320 B13R1.538 COC(=O)CCCCN[C@@H]1C[C@H]1C AIFCHEM-94559010125 [0,1,0,1,0,0|0,0,0]=2 321 B13R1.539 COC(=O)CCCNCC1CCO1 AIFCHEM-94567674793 [0,1,0,1,0,0|1,0,0]=3 322 B13R1.539 COC(=O)CCCNC[C@@H]1CCO1 AIFCHEM-94592438661 [0,1,0,1,0,0|1,0,0]=3 323 B13R1.539 COC(=O)CCCNC[C@H]1CCO1 AIFCHEM-94592438657 [0,1,0,1,0,0|1,0,0]=3 324 B13R1.553 COC(=O)C1CCCN1C(C)CO AIFCHEM-6075579393 [0,1,0,1,0,0|2,0,0]=4 325 B13R1.553 COC(=O)[C@@H]1CCCN1C(C)CO AIFCHEM-5914053875 [0,1,0,1,0,0|2,0,0]=4 326 B13R1.553 COC(=O)[C@H]1CCCN1C(C)CO AIFCHEM-94558650286 [0,1,0,1,0,0|2,0,0]=4 327 B13R1.1703 CCC(C)CN1CCC1C(=O)OC AIFCHEM-5994224303 [0,1,0,1,0,0|1,0,0]=3 328 B13R1.513 CC(C)CCNC1CCC(=O)NC1 AIFCHEM-6184072124 [0,1,0,1,0,0|2,0,0]=4 329 B13R1.551 COC(=O)[C@@H]1CCC[C@@H]1NC(=O)C AIFCHEM-5655599344 [0,1,0,1,0,0|1,0,1]=4 330 B13R1.598 CNC(=O)CNC1CCCC1(C)C AIFCHEM-94562543723 [0,1,0,1,0,0|2,0,0]=4 331 B13R1.9 CCCCNCC1CNC(=O)CO1 AIFCHEM-94523041828 [0,1,0,1,0,0|2,0,0]=4 332 B13R1.9 CCSCCNC1CCC(=O)NC1 AIFCHEM-94566118335 [0,1,0,1,0,0|2,0,0]=4 333 B13R1.9 COCCCNC1CCC(=O)NC1 AIFCHEM-94598889804 [0,1,0,1,0,0|2,0,0]=4 334 B13R1.9 CSCCCNC1CCC(=O)NC1 AIFCHEM-94546174922 [0,1,0,1,0,0|2,0,0]=4 335 B13R1.9 CSCCCN[C@H]1CCC(=O)NC1 AIFCHEM-94546172453 [0,1,0,1,0,0|2,0,0]=4 336 B13R1.27 CCCCCNCC1CNC(=O)C1 AIFCHEM-94551426681 [0,1,0,1,0,0|1,0,0]=3 337 B13R1.27 O=C1CC(CO1)NCCOCCO AIFCHEM-94566172421 [0,1,0,1,0,0|2,0,0]=4 338 B13R1.27 O=C1C[C@@H](CO1)NCCCCCO AIFCHEM-6093010925 [0,1,0,1,0,0|1,0,0]=3 339 B13R1.27 O=C1C[C@@H](CO1)NCCOCCO AIFCHEM-6093304362 [0,1,0,1,0,0|2,0,0]=4 340 B13R1.27 O=C1C[C@H](CO1)NCCCCCO AIFCHEM-5598877887 [0,1,0,1,0,0|1,0,0]=3 341 B13R1.27 O=C1C[C@H](CO1)NCCOCCO AIFCHEM-5666645519 [0,1,0,1,0,0|2,0,0]=4 342 B13R1.382 CCCN1CCOCC1C(=O)OC AIFCHEM-94569010479 [0,1,0,1,0,0|1,0,0]=3 343 B13R1.382 CCCN1CCOC[C@@H]1C(=O)OC AIFCHEM-94527790681 [0,1,0,1,0,0|1,0,0]=3 344 B13R1.382 CCCN1CCOC[C@H]1C(=O)OC AIFCHEM-94569022075 [0,1,0,1,0,0|1,0,0]=3 345 B13R1.581 CCCN[C@H]1CCC[C@H]1C(=O)OC AIFCHEM-94569010189 [0,1,0,1,0,0|0,0,0]=2 346 B13R1.581 COC(=O)C1CCCC1NCCO AIFCHEM-6411053988 [0,1,0,1,0,0|1,0,0]=3 347 B13R1.599 COC(=O)CCCN1CCCC1C AIFCHEM-94592445726 [0,1,0,1,0,0|0,0,0]=2 348 B13R1.599 COC(=O)CCCN1CCC[C@@H]1C AIFCHEM-94592443804 [0,1,0,1,0,0|0,0,0]=2 349 B13R1.599 COC(=O)CCCN1CCC[C@H]1C AIFCHEM-94592435238 [0,1,0,1,0,0|0,0,0]=2 350 B13R1.89 CCC1CCCCN1C(=O)C(C)O AIFCHEM-94571301865 [0,1,0,1,0,0|2,0,0]=4 351 B13R1.89 CCC1CCCCN1C(=O)[C@H](C)O AIFCHEM-5788747998 [0,1,0,1,0,0|2,0,0]=4 352 B13R1.169 CC1CCCC1NCC(=O)N(C)C AIFCHEM-94591676889 [0,1,0,1,0,0|2,0,0]=4 353 B13R1.202 CC(C)C(=O)NC1CCCCC1C AIFCHEM-94545051888 [0,1,0,1,0,0|2,0,0]=4 354 B13R1.202 CC(C)C(=O)N[C@@H]1CCCC[C@@H]1C AIFCHEM-94545052628 [0,1,0,1,0,0|2,0,0]=4 355 B13R1.202 CC(C)C(=O)N[C@@H]1CCCC[C@H]1C AIFCHEM-94545048575 [0,1,0,1,0,0|2,0,0]=4 356 B13R1.202 CC(C)C(=O)N[C@H]1CCCC[C@H]1C AIFCHEM-94545052627 [0,1,0,1,0,0|2,0,0]=4 357 B13R1.351 CC(O)C(=O)NCC1CCCCC1 AIFCHEM-94540230909 [0,1,0,1,0,0|2,0,0]=4 358 B13R1.351 C[C@@H](O)C(=O)NCC1CCCCC1 AIFCHEM-5712617619 [0,1,0,1,0,0|2,0,0]=4 359 B13R1.351 C[C@H](O)C(=O)NCC1CCCCC1 AIFCHEM-5703898593 [0,1,0,1,0,0|2,0,0]=4 360 B13R1.19 CCCC(C)NC1CCC(=O)NC1 AIFCHEM-94560473918 [0,1,0,1,0,0|2,0,0]=4 361 B13R1.19 CCCC(C)N[C@H]1CCC(=O)NC1 AIFCHEM-94606107960 [0,1,0,1,0,0|2,0,0]=4 362 B13R1.19 CCC[C@@H](C)NC1CCC(=O)NC1 AIFCHEM-6010697188 [0,1,0,1,0,0|2,0,0]=4 363 B13R1.19 CCC[C@H](C)NC1CCC(=O)NC1 AIFCHEM-5686485834 [0,1,0,1,0,0|2,0,0]=4 364 B13R1.1734 COC(=O)CCCNC(C)C1CC1 AIFCHEM-94592442053 [0,1,0,1,0,0|1,0,0]=3 365 B13R1.1734 COC(=O)CCCN[C@@H](C)C1CC1 AIFCHEM-94592437454 [0,1,0,1,0,0|1,0,0]=3 366 B13R1.1734 COC(=O)CCCN[C@H](C)C1CC1 AIFCHEM-94592438146 [0,1,0,1,0,0|1,0,0]=3 367 B13R2.525 C[C@@H]1C[C@H]1NC2CCC(=O)NC2 AIFCHEM-94559009590 [0,0,0,2,0,0|2,0,0]=4 368 B13R2.142 O=C1CC(CN1)NC2CCCC2 AIFCHEM-94542376425 [0,0,0,2,0,0|2,0,0]=4 369 B13R2.142 O=C1C[C@H](CN1)NC2CCCC2 AIFCHEM-94541522721 [0,0,0,2,0,0|2,0,0]=4 370 B13R2.143 C[C@@H]1C[C@H]1CNC2COC(=O)C2 AIFCHEM-94599417526 [0,0,0,2,0,0|1,0,0]=3 371 B13R2.144 C[C@@H]1CCCN1C2CNC(=O)C2 AIFCHEM-94548511707 [0,0,0,2,0,0|2,0,0]=4 372 B13R2.2974 O=C1CC(CO1)NCC2CCO2 AIFCHEM-94567677618 [0,0,0,2,0,0|2,0,0]=4 373 B13R2.1153 CCC(=O)N1CC2CCC1CC2 AIFCHEM-94526508700 [0,0,0,2,0,0|2,0,0]=4 374 B13R2.1100 CCC(=O)N1C2CCCC1CC2 AIFCHEM-94526509595 [0,0,0,2,0,0|2,0,0]=4 375 B13R2.15277 COC(=O)C1CCN1C2CCC2 AIFCHEM-94576048621 [0,0,0,2,0,0|1,0,0]=3