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C=C(F)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100009893438 [0,1,0,0,0,0|1,0,1]=3 304 B15R1.8435 C=C(F)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_200010262243_200009893639 [0,1,0,0,0,0|1,0,1]=3 305 B15R1.8435 C=C(F)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100000042424 [0,1,0,0,0,0|1,0,1]=3 306 B15R1.8435 C=C(F)CS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100000042424_200009893639 [0,1,0,0,0,0|1,1,1]=4 307 B15R1.8435 C=C(F)CS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_100000042424 [0,1,0,0,0,0|1,1,1]=4 308 B15R1.8435 CC(=O)COC1CC(CCC1C(C)C)C 1458a_100000239268_200000210301 [0,1,0,0,0,0|0,0,2]=3 309 B15R1.8435 CC(=O)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000211253_200009893639 [0,1,0,0,0,0|0,0,2]=3 310 B15R1.8435 CC(Br)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100012180447_200009893639 [0,1,0,0,0,0|1,0,0]=2 311 B15R1.8435 CC(C)CNC1C[C@@H](CC[C@H]1C(C)C)C 269862a_100000210953_100009815803 [0,1,0,0,0,0|2,0,0]=3 312 B15R1.8435 CC(C)CN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 2230a_100025773825_100000210760 [0,1,0,0,0,0|2,0,0]=3 313 B15R1.8435 CC(C)CN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 270004a_100025773825_100000210432 [0,1,0,0,0,0|2,0,0]=3 314 B15R1.8435 CC(C)CN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 34a_100025773825_100000210624 [0,1,0,0,0,0|2,0,0]=3 315 B15R1.8435 CC(C)CN[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000210953_200009893639 [0,1,0,0,0,0|2,0,0]=3 316 B15R1.8435 CC(C)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000210257_200009893639 [0,1,0,0,0,0|1,0,0]=2 317 B15R1.8435 CC(C)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100000210624 [0,1,0,0,0,0|1,0,0]=2 318 B15R1.8435 CC(C)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100000210760 [0,1,0,0,0,0|1,0,0]=2 319 B15R1.8435 CC(C)CS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100000210624_200009893639 [0,1,0,0,0,0|1,1,0]=3 320 B15R1.8435 CC(C)CS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_100000210760 [0,1,0,0,0,0|1,1,0]=3 321 B15R1.8435 CC(C)[C@@H]1CC[C@H](C[C@H]1NCC(=O)N)C 2230a_100025773825_100000747473 [0,1,0,0,0,0|1,0,2]=4 322 B15R1.8435 CC(C)[C@@H]1CC[C@H](C[C@H]1NCC(=O)N)C 34a_100025773825_100000187820 [0,1,0,0,0,0|1,0,2]=4 323 B15R1.8435 CC(C)[C@@H]1CC[C@H](C[C@H]1NCC(=O)[O-])C 34a_100025773825_100020667443 [0,1,0,0,0,0|1,0,2]=4 324 B15R1.8435 CC(C)[C@@H]1CC[C@H](C[C@H]1NCC(F)F)C 2230a_100025773825_100011934356 [0,1,0,0,0,0|2,0,0]=3 325 B15R1.8435 CC(C)[C@@H]1CC[C@H](C[C@H]1NCC(F)F)C 34a_100025773825_100011934356 [0,1,0,0,0,0|2,0,0]=3 326 B15R1.8435 CC(C)[C@@H]1CC[C@H](C[C@H]1NC[C@@H](C)O)C 2230a_100025773825_100009817552 [0,1,0,0,0,0|1,0,0]=2 327 B15R1.8435 CC(C)[C@@H]1CC[C@H](C[C@H]1NC[C@@H](C)O)C 34a_100025773825_100009817552 [0,1,0,0,0,0|1,0,0]=2 328 B15R1.8435 CC(C)[C@@H]1CC[C@H](C[C@H]1NC[N+](=O)[O-])C 34a_100025773825_100000761209 [0,1,0,0,0,0|2,0,1]=4 329 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1NCC(=O)O)C 269956a_100016091260_200009893639 [0,1,0,0,0,0|1,0,1]=3 330 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1NCC(F)F)C 34a_100000765723_200009893639 [0,1,0,0,0,0|2,0,0]=3 331 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(=O)N)C 34a_100000763588_100000187820 [0,1,0,0,0,0|0,0,2]=3 332 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(=O)N)C 7a_100000763588_100000187820 [0,1,0,0,0,0|0,0,2]=3 333 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(=O)[O-])C 34a_100000763588_100020667443 [0,1,0,0,0,0|0,0,2]=3 334 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(F)F)C 34a_100000743014_200009893639 [0,1,0,0,0,0|1,0,0]=2 335 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(F)F)C 34a_100000763588_100011934356 [0,1,0,0,0,0|1,0,0]=2 336 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(F)F)C 7a_100000763588_100011934356 [0,1,0,0,0,0|1,0,0]=2 337 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC[C@@H](C)Cl)C 34a_100016084084_200009893639 [0,1,0,0,0,0|1,0,0]=2 338 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC[C@@H](C)N)C 34a_100000737577_200009893639 [0,1,0,0,0,0|1,0,0]=2 339 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC[C@@H](C)O)C 34a_100000763588_100009817552 [0,1,0,0,0,0|0,0,0]=1 340 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC[C@@H](C)O)C 7a_100000763588_100009817552 [0,1,0,0,0,0|0,0,0]=1 341 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC[N+](=O)[O-])C 34a_100000763588_100000761209 [0,1,0,0,0,0|1,0,1]=3 342 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCC(=O)N)C 62a_100000747473_200009893639 [0,1,0,0,0,0|0,1,2]=4 343 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCC(=O)N)C 62a_200009893639_100000747473 [0,1,0,0,0,0|0,1,2]=4 344 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCC(=O)[O-])C 62a_100020667443_200009893639 [0,1,0,0,0,0|0,1,2]=4 345 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCC(=O)[O-])C 62a_200009893639_100020667443 [0,1,0,0,0,0|0,1,2]=4 346 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCC(F)F)C 62a_100011934356_200009893639 [0,1,0,0,0,0|1,1,0]=3 347 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCC(F)F)C 62a_200009893639_100011934356 [0,1,0,0,0,0|1,1,0]=3 348 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1SC[C@@H](C)O)C 62a_100009817552_200009893639 [0,1,0,0,0,0|0,1,0]=2 349 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1SC[C@@H](C)O)C 62a_200009893639_100009817552 [0,1,0,0,0,0|0,1,0]=2 350 B15R1.8435 CC(C)[C@H]1CC[C@@H](C[C@@H]1SC[N+](=O)[O-])C 62a_200009893639_100000761209 [0,1,0,0,0,0|1,1,1]=4 351 B15R1.8435 CC(F)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100015925927_200009893639 [0,1,0,0,0,0|1,0,0]=2 352 B15R1.8435 CC(O)CNC1C[C@@H](CC[C@H]1C(C)C)C 269862a_100000210904_100009815803 [0,1,0,0,0,0|1,0,0]=2 353 B15R1.8435 CC(O)CN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 2230a_100025773825_100011218427 [0,1,0,0,0,0|1,0,0]=2 354 B15R1.8435 CC(O)CN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 34a_100025773825_100011218427 [0,1,0,0,0,0|1,0,0]=2 355 B15R1.8435 CC(O)CN[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000210904_200009893639 [0,1,0,0,0,0|1,0,0]=2 356 B15R1.8435 CC(O)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100011218427 [0,1,0,0,0,0|0,0,0]=1 357 B15R1.8435 CC(O)CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100011218427 [0,1,0,0,0,0|0,0,0]=1 358 B15R1.8435 CC(O)CS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100011218427_200009893639 [0,1,0,0,0,0|0,1,0]=2 359 B15R1.8435 CC(O)CS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_100011218427 [0,1,0,0,0,0|0,1,0]=2 360 B15R1.8435 CC1CCC(C(C1)OCC(=O)[13CH3])C(C)C 1458a_100000239268_200025704644 [0,1,0,0,0,0|0,0,2]=3 361 B13R0.1 C#CCNCCC(C)CCCC(C)C 2230a_102516457229_100000038162 [0,0,1,0,0,0|2,0,1]=4 362 B13R0.1 C#CCNCCC(C)CCCC(C)C 34a_100000212058_100009816328 [0,0,1,0,0,0|2,0,1]=4 363 B13R0.1 C#CCOCCC(C)CCCC(C)C 34a_100000015991_100000184674 [0,0,1,0,0,0|1,0,1]=3 364 B13R0.1 C#CCOCCC(C)CCCC(C)C 34a_100000210247_100009816328 [0,0,1,0,0,0|1,0,1]=3 365 B13R0.1 C#CCOCCC(C)CCCC(C)C 7a_100000015991_100000038162 [0,0,1,0,0,0|1,0,1]=3 366 B13R0.1 C#CCSCCC(C)CCCC(C)C 62a_100000038162_100009816328 [0,0,1,0,0,0|1,1,1]=4 367 B13R0.1 C=CCNCCC(C)CCCC(C)C 2230a_100020586998_100009816328 [0,0,1,0,0,0|2,0,1]=4 368 B13R0.1 C=CCNCCC(C)CCCC(C)C 2230a_102516457229_100000210623 [0,0,1,0,0,0|2,0,1]=4 369 B13R0.1 C=CCOCCC(C)CCCC(C)C 34a_100000015991_100015514636 [0,0,1,0,0,0|1,0,1]=3 370 B13R0.1 C=CCOCCC(C)CCCC(C)C 34a_200000210373_100009816328 [0,0,1,0,0,0|1,0,1]=3 371 B13R0.1 C=CCOCCC(C)CCCC(C)C 7a_100000015991_100015514636 [0,0,1,0,0,0|1,0,1]=3 372 B13R0.1 C=CCSCCC(C)CCCC(C)C 62a_100000210623_100009816328 [0,0,1,0,0,0|1,1,1]=4 373 B13R0.1 C=CCSCCC(C)CCCC(C)C 62a_100009816328_100000210623 [0,0,1,0,0,0|1,1,1]=4 374 B13R0.1 CC(=CCCC(C)CCNCCO)C 2230a_100016997473_100009814015 [0,0,1,0,0,0|1,0,2]=4 375 B13R0.1 CC(=CCCC(C)CCNCCO)C 269862a_100000210304_100000212096 [0,0,1,0,0,0|1,0,2]=4 376 B13R0.1 CC(=CCCC(C)CCNCCO)C 270004a_100000210304_100000212096 [0,0,1,0,0,0|1,0,2]=4 377 B13R0.1 CC(=CCCC(C)CCNCCO)C 34a_100016990907_100009814015 [0,0,1,0,0,0|1,0,2]=4 378 B13R0.1 CC(=CCCC(C)CCOCCBr)C 34a_100000211926_100009814015 [0,0,1,0,0,0|1,0,2]=4 379 B13R0.1 CC(=CCCC(C)CCOCCF)C 34a_100000017536_100011217306 [0,0,1,0,0,0|1,0,2]=4 380 B13R0.1 CC(=CCCC(C)CCOCCF)C 7a_100000017536_100011217306 [0,0,1,0,0,0|1,0,2]=4 381 B13R0.1 CC(=CCCC(C)CCOCCN)C 34a_100000210304_100009814015 [0,0,1,0,0,0|1,0,2]=4 382 B13R0.1 CC(=CCCC(C)CCOCCO)C 34a_100000017536_100000211926 [0,0,1,0,0,0|0,0,2]=3 383 B13R0.1 CC(=CCCC(C)CCOCCO)C 7a_100000017536_100000211926 [0,0,1,0,0,0|0,0,2]=3 384 B13R0.1 CC(=CCCC(C)CCSCCO)C 62a_100000211926_100009814015 [0,0,1,0,0,0|0,1,2]=4 385 B13R0.1 CC(=CCCC(C)CCSCCO)C 62a_100009814015_100000211926 [0,0,1,0,0,0|0,1,2]=4 386 B13R0.1 CC(=CCCN(C)CCOCCO)C 2230a_100000228057_100011217483 [0,0,1,0,0,0|1,0,2]=4 387 B13R0.1 CC(=CCCN(C)CCOCCO)C 269982a_100000228057_100011217483 [0,0,1,0,0,0|1,0,2]=4 388 B13R0.1 CC(=O)CCCN(C)CCOCCO 269982a_100000228057_100011215641 [0,0,1,0,0,0|2,0,1]=4 389 B13R0.1 CC(C)CCCC(=O)CCCCCO 1458a_100011216857_100000746330 [0,0,1,0,0,0|2,0,1]=4 390 B13R0.1 CC(C)CCCC(=O)CCCCCO 1458a_100102619762_100011214892 [0,0,1,0,0,0|2,0,1]=4 391 B13R0.1 CC(C)CCCC(=O)CCOCCO 1458a_100011216857_100011215305 [0,0,1,0,0,0|1,0,1]=3 392 B13R0.1 CC(C)CCCC(=O)CCOCCO 1458a_100011229844_100011214892 [0,0,1,0,0,0|1,0,1]=3 393 B13R0.1 CC(C)CCCC(C)CCNCC#N 2230a_102516457229_100011215382 [0,0,1,0,0,0|2,0,1]=4 394 B13R0.1 CC(C)CCCC(C)CCNCC=O 2230a_102516457229_200015260668 [0,0,1,0,0,0|1,0,2]=4 395 B13R0.1 CC(C)CCCC(C)CCNCCF 2230a_102516457229_100011217306 [0,0,1,0,0,0|2,0,0]=3 396 B13R0.1 CC(C)CCCC(C)CCNCCF 34a_100000724931_100009816328 [0,0,1,0,0,0|2,0,0]=3 397 B13R0.1 CC(C)CCCC(C)CCNCCO 2230a_100016997473_100009816328 [0,0,1,0,0,0|1,0,0]=2 398 B13R0.1 CC(C)CCCC(C)CCNCCO 2230a_102516457229_100000211926 [0,0,1,0,0,0|1,0,0]=2 399 B13R0.1 CC(C)CCCC(C)CCNCCO 34a_100016990907_100009816328 [0,0,1,0,0,0|1,0,0]=2 400 B13R0.1 CC(C)CCCC(C)CCOCC#N 7a_100000015991_100011215382 [0,0,1,0,0,0|1,0,1]=3 401 B13R0.1 CC(C)CCCC(C)CCOCC=O 34a_100000015991_200009817547 [0,0,1,0,0,0|0,0,2]=3 402 B13R0.1 CC(C)CCCC(C)CCOCC=O 7a_100000015991_200015260668 [0,0,1,0,0,0|0,0,2]=3 403 B13R0.1 CC(C)CCCC(C)CCOCCBr 34a_100000211926_100009816328 [0,0,1,0,0,0|1,0,0]=2 404 B13R0.1 CC(C)CCCC(C)CCOCCF 34a_100000015991_100011217306 [0,0,1,0,0,0|1,0,0]=2 405 B13R0.1 CC(C)CCCC(C)CCOCCF 7a_100000015991_100011217306 [0,0,1,0,0,0|1,0,0]=2 406 B13R0.1 CC(C)CCCC(C)CCOCCN 34a_100000210304_100009816328 [0,0,1,0,0,0|1,0,0]=2 407 B13R0.1 CC(C)CCCC(C)CCOCCO 34a_100000015991_100000211926 [0,0,1,0,0,0|0,0,0]=1 408 B13R0.1 CC(C)CCCC(C)CCOCCO 7a_100000015991_100000211926 [0,0,1,0,0,0|0,0,0]=1 409 B13R0.1 CC(C)CCCC(C)CCSCC#N 62a_100009816328_100011215382 [0,0,1,0,0,0|1,1,1]=4 410 B13R0.1 CC(C)CCCC(C)CCSCC#N 62a_100011215382_100009816328 [0,0,1,0,0,0|1,1,1]=4 411 B13R0.1 CC(C)CCCC(C)CCSCC=O 62a_100009816328_200015260668 [0,0,1,0,0,0|0,1,2]=4 412 B13R0.1 CC(C)CCCC(C)CCSCC=O 62a_200015260668_100009816328 [0,0,1,0,0,0|0,1,2]=4 413 B13R0.1 CC(C)CCCC(C)CCSCCF 62a_100009816328_100011217306 [0,0,1,0,0,0|1,1,0]=3 414 B13R0.1 CC(C)CCCC(C)CCSCCF 62a_100011217306_100009816328 [0,0,1,0,0,0|1,1,0]=3 415 B13R0.1 CC(C)CCCC(C)CCSCCO 62a_100000211926_100009816328 [0,0,1,0,0,0|0,1,0]=2 416 B13R0.1 CC(C)CCCC(C)CCSCCO 62a_100009816328_100000211926 [0,0,1,0,0,0|0,1,0]=2 417 B13R0.1 CC(C)CCCC(C)NCC#CCO 2230a_100000210607_200000047223 [0,0,1,0,0,0|2,0,1]=4 418 B13R0.1 CC(C)CCCC(C)NCCCCF 2230a_100000210607_100000729493 [0,0,1,0,0,0|3,0,0]=4 419 B13R0.1 CC(C)CCCC(C)NCCCCO 2230a_100000210607_100000210776 [0,0,1,0,0,0|2,0,0]=3 420 B13R0.1 CC(C)CCCC(C)NCCCCO 270004a_100000750430_100000753411 [0,0,1,0,0,0|2,0,0]=3 421 B13R0.1 CC(C)CCCC(C)OCC#CCO 34a_200011218570_200000047223 [0,0,1,0,0,0|2,0,1]=4 422 B13R0.1 CC(C)CCCC(C)OCC#CCO 7a_200011218570_200000047223 [0,0,1,0,0,0|2,0,1]=4 423 B13R0.1 CC(C)CCCC(C)OCCCCF 34a_200011218570_100000729493 [0,0,1,0,0,0|3,0,0]=4 424 B13R0.1 CC(C)CCCC(C)OCCCCF 7a_200011218570_100000729493 [0,0,1,0,0,0|3,0,0]=4 425 B13R0.1 CC(C)CCCC(C)OCCCCO 34a_200011218570_100011216708 [0,0,1,0,0,0|2,0,0]=3 426 B13R0.1 CC(C)CCCC(C)OCCCCO 7a_200011218570_100000210776 [0,0,1,0,0,0|2,0,0]=3 427 B13R0.1 CC(C)CCCN(C)CCCCCO 2230a_100000722520_100011214892 [0,0,1,0,0,0|2,0,0]=3 428 B13R0.1 CC(C)CCCN(C)CCCCCO 269982a_100000722520_100011214892 [0,0,1,0,0,0|2,0,0]=3 429 B13R0.1 CC(C)CCCN(C)CCOCCO 2230a_100000228057_100011214892 [0,0,1,0,0,0|1,0,0]=2 430 B13R0.1 CC(C)CCCN(C)CCOCCO 269982a_100000228057_100011214892 [0,0,1,0,0,0|1,0,0]=2 431 B13R0.1 CC(C)CCNC(=O)CCOCCO 1626a_100000210545_100011229844 [0,0,1,0,0,0|2,0,1]=4 432 B13R0.1 CC(C)CCNC(=O)CCOCCO 240690a_100000210545_100011229844 [0,0,1,0,0,0|2,0,1]=4 433 B13R0.1 CC(C)COCC(=O)CCOCCO 1458a_100011223364_100011215305 [0,0,1,0,0,0|2,0,1]=4 434 B13R0.1 CC(C)OCCC(=O)CCOCCO 1458a_100011229844_100000211751 [0,0,1,0,0,0|2,0,1]=4 435 B13R0.1 CC(C)OCCN(C)CCCCCO 2230a_100000722520_100000211751 [0,0,1,0,0,0|3,0,0]=4 436 B13R0.1 CC(C)OCCN(C)CCCCCO 269982a_100000722520_100000211751 [0,0,1,0,0,0|3,0,0]=4 437 B13R0.1 CC(C)OCCN(C)CCOCCO 2230a_100000228057_100000211751 [0,0,1,0,0,0|2,0,0]=3 438 B13R0.1 CC(C)OCCN(C)CCOCCO 269982a_100000228057_100000211751 [0,0,1,0,0,0|2,0,0]=3 439 B13R0.1 CC(C)SCCC(=O)CCOCCO 1458a_100011229844_100000730970 [0,0,1,0,0,0|2,0,1]=4 440 B13R0.1 CC(C)SCCN(C)CCCCCO 2230a_100000722520_100000730970 [0,0,1,0,0,0|3,0,0]=4 441 B13R0.1 CC(C)SCCN(C)CCCCCO 269982a_100000722520_100000730970 [0,0,1,0,0,0|3,0,0]=4 442 B13R0.1 CC(C)SCCN(C)CCOCCO 2230a_100000228057_100000730970 [0,0,1,0,0,0|2,0,0]=3 443 B13R0.1 CC(C)SCCN(C)CCOCCO 269982a_100000228057_100000730970 [0,0,1,0,0,0|2,0,0]=3 444 B13R0.1 CC(CCOC(C)C)NCCCCO 270004a_100000750430_200011219172 [0,0,1,0,0,0|3,0,0]=4 445 B13R0.1 CC(O)CCCC(=O)CCOCCO 1458a_100011229844_200000718107 [0,0,1,0,0,0|2,0,1]=4 446 B13R0.1 CC(O)CCCN(C)CCCCCO 2230a_100000722520_200000718107 [0,0,1,0,0,0|3,0,0]=4 447 B13R0.1 CC(O)CCCN(C)CCCCCO 269982a_100000722520_200000718107 [0,0,1,0,0,0|3,0,0]=4 448 B13R0.1 CC(O)CCCN(C)CCOCCO 2230a_100000228057_200000718107 [0,0,1,0,0,0|2,0,0]=3 449 B13R0.1 CC(O)CCCN(C)CCOCCO 269982a_100000228057_200000718107 [0,0,1,0,0,0|2,0,0]=3 450 B13R0.1 CCCCCCC(C)CCOC(C)C 34a_200011024964_100000210206 [0,0,1,0,0,0|3,0,0]=4 451 B13R0.1 CCCCCCC(C)CCOC(C)C 7a_200011024964_100000210206 [0,0,1,0,0,0|3,0,0]=4 452 B13R0.1 CCCCCCC(C)NCCC(C)C 2230a_100000210919_100000210312 [0,0,1,0,0,0|3,0,0]=4 453 B13R0.1 CCCCCCC(C)NCCC(C)C 269862a_100000210919_100000185833 [0,0,1,0,0,0|3,0,0]=4 454 B13R0.1 CCCCCCC(C)NCCC(C)C 270004a_100000210545_100000210826 [0,0,1,0,0,0|3,0,0]=4 455 B13R0.1 CCCCCCC(C)NCCC(C)C 34a_100000210919_100000210312 [0,0,1,0,0,0|3,0,0]=4 456 B13R0.1 CCCCCCC(C)OCCC(C)C 34a_100000210254_100011215978 [0,0,1,0,0,0|3,0,0]=4 457 B13R0.1 CCCCCCC(C)OCCC(C)C 34a_100000210265_100000210312 [0,0,1,0,0,0|3,0,0]=4 458 B13R0.1 CCCCCCC(C)OCCC(C)C 7a_100000210254_100011215978 [0,0,1,0,0,0|3,0,0]=4 459 B13R0.1 CCCCCCC(C)OCCC(C)C 7a_100000210265_100000210626 [0,0,1,0,0,0|3,0,0]=4 460 B13R0.1 CCCCCCC(C)SCCC(C)C 62a_100000210312_100011215978 [0,0,1,0,0,0|3,0,0]=4 461 B13R0.1 CCCCCCC(C)SCCC(C)C 62a_100011215978_100000210312 [0,0,1,0,0,0|3,0,0]=4 462 B13R0.1 CCCCCCN(C)CCCC(C)C 2230a_106256046315_100011214892 [0,0,1,0,0,0|3,0,0]=4 463 B13R0.1 CCCCCCN(C)CCCC(C)C 269982a_106256046315_100011214892 [0,0,1,0,0,0|3,0,0]=4 464 B13R0.1 CCCCCNC(C)CCCC(C)C 2230a_100000210607_100000210326 [0,0,1,0,0,0|3,0,0]=4 465 B13R0.1 CCCCCNC(C)CCCC(C)C 270004a_100000209983_100000753411 [0,0,1,0,0,0|3,0,0]=4 466 B13R0.1 CCCCCOC(C)CCCC(C)C 34a_200011218570_100000718602 [0,0,1,0,0,0|3,0,0]=4 467 B13R0.1 CCCCCOC(C)CCCC(C)C 7a_200011218570_100000210326 [0,0,1,0,0,0|3,0,0]=4 468 B13R0.1 CCCNCCC(C)CCCC(C)C 2230a_102516457229_100000210303 [0,0,1,0,0,0|2,0,0]=3 469 B13R0.1 CCCOCCC(=O)CCCC(C)C 1458a_100011216857_100011215938 [0,0,1,0,0,0|2,0,1]=4 470 B13R0.1 CCCOCCC(C)CCC=C(C)C 34a_100000017536_100000210303 [0,0,1,0,0,0|1,0,2]=4 471 B13R0.1 CCCOCCC(C)CCC=C(C)C 34a_100000210258_100009814015 [0,0,1,0,0,0|1,0,2]=4 472 B13R0.1 CCCOCCC(C)CCC=C(C)C 7a_100000017536_100000210303 [0,0,1,0,0,0|1,0,2]=4 473 B13R0.1 CCCOCCC(C)CCCC(C)C 34a_100000015991_100000210303 [0,0,1,0,0,0|1,0,0]=2 474 B13R0.1 CCCOCCC(C)CCCC(C)C 34a_100000210258_100009816328 [0,0,1,0,0,0|1,0,0]=2 475 B13R0.1 CCCOCCC(C)CCCC(C)C 7a_100000015991_100000210303 [0,0,1,0,0,0|1,0,0]=2 476 B13R0.1 CCCOCCN(C)CCCN(C)C 269982a_100000225831_100011215938 [0,0,1,0,0,0|3,0,0]=4 477 B13R0.1 CCCSCCC(C)CCCC(C)C 62a_100000210303_100009816328 [0,0,1,0,0,0|1,1,0]=3 478 B13R0.1 CCCSCCC(C)CCCC(C)C 62a_100009816328_100000210303 [0,0,1,0,0,0|1,1,0]=3 479 B13R0.1 CN(C)CCCC(=O)CCOCCO 1458a_100011229844_100000695564 [0,0,1,0,0,0|2,0,1]=4 480 B13R0.1 CN(C)CCCN(C)CCCCCO 269982a_100000225831_100000746330 [0,0,1,0,0,0|3,0,0]=4 481 B13R0.1 CN(C)CCCN(C)CCCCCO 269982a_100000722520_100000757444 [0,0,1,0,0,0|3,0,0]=4 482 B13R0.1 CN(C)CCCN(C)CCOCCO 269982a_100000225831_100011215305 [0,0,1,0,0,0|2,0,0]=3 483 B13R0.1 CN(C)CCCN(C)CCOCCO 269982a_100000228057_100000757444 [0,0,1,0,0,0|2,0,0]=3 484 B13R0.1 COCNCCC(C)CCCC(C)C 2230a_102516457229_100000766300 [0,0,1,0,0,0|3,0,0]=4 485 B13R0.1 COCSCCC(C)CCCC(C)C 62a_100000766300_100009816328 [0,0,1,0,0,0|2,1,0]=4 486 B13R0.1 COCSCCC(C)CCCC(C)C 62a_100009816328_100000766300 [0,0,1,0,0,0|2,1,0]=4 487 B13R0.1 CSCNCCC(C)CCCC(C)C 2230a_102516457229_100011218213 [0,0,1,0,0,0|3,0,0]=4 488 B13R0.1 CSCOCCC(C)CCCC(C)C 34a_100000015991_100011218213 [0,0,1,0,0,0|2,0,0]=3 489 B13R0.1 CSCSCCC(C)CCCC(C)C 62a_100009816328_100011218213 [0,0,1,0,0,0|2,1,0]=4 490 B13R0.1 CSCSCCC(C)CCCC(C)C 62a_100011218213_100009816328 [0,0,1,0,0,0|2,1,0]=4 491 B13R0.12 CCC(C(C)C)N(CCO)CCCO 270004a_200000212863_100000210600 [0,0,1,0,0,0|3,0,0]=4 492 B13R0.12 CCCCC(CCC)N(CC)C(C)C 269982a_100000223864_100000211913 [0,0,1,0,0,0|3,0,0]=4 493 B13R0.12 CCCCN(CCC)C(CC)C(C)C 270004a_200000207744_100000210600 [0,0,1,0,0,0|3,0,0]=4 494 B13R0.346 CC(C)CCN(CCCCO)C(C)C 2230a_100011521146_100000210312 [0,0,1,0,0,0|2,0,0]=3 495 B13R0.346 CC(C)CCN(CCCCO)C(C)C 269982a_100011521146_100000210312 [0,0,1,0,0,0|2,0,0]=3 496 B13R0.346 CC(C)N(CCCCO)CCN(C)C 269982a_100011521146_100000755713 [0,0,1,0,0,0|3,0,0]=4 497 B13R0.346 CC(C)OCN(CCCCO)C(C)C 2230a_100011521146_100000709892 [0,0,1,0,0,0|3,0,0]=4 498 B13R0.346 CC(C)OCN(CCCCO)C(C)C 269982a_100011521146_100000709892 [0,0,1,0,0,0|3,0,0]=4 499 B13R0.346 CC(O)CCN(CCCCO)C(C)C 2230a_100011521146_100012276601 [0,0,1,0,0,0|3,0,0]=4 500 B13R0.346 CC(O)CCN(CCCCO)C(C)C 269982a_100011521146_100012276601 [0,0,1,0,0,0|3,0,0]=4 501 B13R0.346 CCCCCC(OCC(C)C)C(C)C 34a_200011216997_100000210624 [0,0,1,0,0,0|3,0,0]=4 502 B13R0.346 CCCCCC(OCC(C)C)C(C)C 7a_200011216997_100000210760 [0,0,1,0,0,0|3,0,0]=4 503 B13R0.346 CCCCCN(CCC(C)C)C(C)C 2230a_100000223497_100000210312 [0,0,1,0,0,0|3,0,0]=4 504 B13R0.346 CCCCCN(CCC(C)C)C(C)C 269982a_100000223497_100000210312 [0,0,1,0,0,0|3,0,0]=4 505 B13R0.498 CCCCC(C(C)C)N(C)CCCC 270004a_100000207549_200011215219 [0,0,1,0,0,0|3,0,0]=4 506 B13R0.498 CCCCC(C(C)C)N(C)CCCO 270004a_100000213112_200011215219 [0,0,1,0,0,0|2,0,0]=3 507 B13R0.498 CCCCC(C)N(CCCC)C(C)C 2230a_100000207398_200011215066 [0,0,1,0,0,0|3,0,0]=4 508 B13R0.498 CCCCC(C)N(CCCC)C(C)C 269982a_100000207398_200011215066 [0,0,1,0,0,0|3,0,0]=4 509 B13R0.498 CCCCC(C)N(CCCC)C(C)C 270004a_100000207398_100000210087 [0,0,1,0,0,0|3,0,0]=4 510 B15R2.7556 CC(C)[C@H]1CC[C@@H](C[C@@H]1N2CCC2)C 269982a_100000754969_200009893639 [0,0,0,1,0,0|2,0,0]=3 511 B15R2.7569 C=C(C)[C@@H]1CC[C@H](C[C@H]1OC2CC2)C 34a_100016197468_100000211595 [0,0,0,1,0,0|1,0,2]=4 512 B15R2.7569 CC(C)[C@@H]1CC[C@H](C[C@H]1NC2CC2)C 34a_100025773825_100000211595 [0,0,0,1,0,0|2,0,0]=3 513 B15R2.7569 CC(C)[C@H]1CC[C@@H](C[C@@H]1NC2CC2)C 34a_100000212008_200009893639 [0,0,0,1,0,0|2,0,0]=3 514 B15R2.7569 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC2CC2)C 34a_100000763588_100000211595 [0,0,0,1,0,0|1,0,0]=2 515 B15R2.7569 CC(C)[C@H]1CC[C@@H](C[C@@H]1SC2CC2)C 62a_200009893639_100000211595 [0,0,0,1,0,0|1,1,0]=3 516 B15R2.18259 CC1=C[C@@H]([C@H]2C[C@@H]1C2(C)C)OCCF 34a_200016078237_100011217306 [0,0,0,1,0,0|1,0,2]=4 517 B15R2.18259 CC1=C[C@@H]([C@H]2C[C@@H]1C2(C)C)OCCF 7a_200016078237_100011217306 [0,0,0,1,0,0|1,0,2]=4 518 B15R2.18259 CC1=C[C@@H]([C@H]2C[C@@H]1C2(C)C)OCCO 34a_200016078237_100000211926 [0,0,0,1,0,0|0,0,2]=3 519 B15R2.18259 CC1=C[C@@H]([C@H]2C[C@@H]1C2(C)C)OCCO 7a_200016078237_100000211926 [0,0,0,1,0,0|0,0,2]=3 520 B15R2.18259 CCCO[C@H]1C=C([C@@H]2C[C@H]1C2(C)C)C 34a_200016078237_100000210303 [0,0,0,1,0,0|1,0,2]=4 521 B15R2.18259 CCCO[C@H]1C=C([C@@H]2C[C@H]1C2(C)C)C 7a_200016078237_100000210303 [0,0,0,1,0,0|1,0,2]=4 522 B12R0.47 CCCCCC(=O)CCOCCO 1458a_100000212188_100011215305 [1,0,1,0,0,0|1,0,1]=4 523 B12R0.47 CCCCCC(=O)CCOCCO 1458a_100011229844_100000210326 [1,0,1,0,0,0|1,0,1]=4 524 B12R0.47 CCCCCC(C)NCCCCO 2230a_100000211957_100000210776 [1,0,1,0,0,0|2,0,0]=4 525 B12R0.47 CCCCCC(C)NCCCCO 2230a_100000750430_200011218191 [1,0,1,0,0,0|2,0,0]=4 526 B12R0.47 CCCCCC(C)NCCCCO 270004a_100000750430_100000211708 [1,0,1,0,0,0|2,0,0]=4 527 B12R0.47 CCCCCC(C)NCCCCO 34a_100000750430_200011218191 [1,0,1,0,0,0|2,0,0]=4 528 B12R0.47 CCCCCC(C)OCCCCO 34a_100011215632_100011216708 [1,0,1,0,0,0|2,0,0]=4 529 B12R0.47 CCCCCC(C)OCCCCO 7a_100011215632_100000210776 [1,0,1,0,0,0|2,0,0]=4 530 B12R0.47 CCCCCC(C)SCCCCO 62a_100000210776_200011218191 [1,0,1,0,0,0|2,0,0]=4 531 B12R0.47 CCCCCC(C)SCCCCO 62a_200011218191_100000210776 [1,0,1,0,0,0|2,0,0]=4 532 B12R0.47 CCCCCN(C)CCCCCO 2230a_100000223495_100000746330 [1,0,1,0,0,0|2,0,0]=4 533 B12R0.47 CCCCCN(C)CCCCCO 2230a_100000722520_100000210326 [1,0,1,0,0,0|2,0,0]=4 534 B12R0.47 CCCCCN(C)CCCCCO 269982a_100000223495_100000746330 [1,0,1,0,0,0|2,0,0]=4 535 B12R0.47 CCCCCN(C)CCCCCO 269982a_100000722520_100000210215 [1,0,1,0,0,0|2,0,0]=4 536 B12R0.47 CCCCCN(C)CCOCCC 2230a_100000223495_100011215938 [1,0,1,0,0,0|2,0,0]=4 537 B12R0.47 CCCCCN(C)CCOCCC 269982a_100000223495_100011215938 [1,0,1,0,0,0|2,0,0]=4 538 B12R0.47 CCCCCN(C)CCOCCO 2230a_100000223495_100011215305 [1,0,1,0,0,0|1,0,0]=3 539 B12R0.47 CCCCCN(C)CCOCCO 2230a_100000228057_100000210326 [1,0,1,0,0,0|1,0,0]=3 540 B12R0.47 CCCCCN(C)CCOCCO 269982a_100000223495_100011215305 [1,0,1,0,0,0|1,0,0]=3 541 B12R0.47 CCCCCN(C)CCOCCO 269982a_100000228057_100000210215 [1,0,1,0,0,0|1,0,0]=3 542 B12R0.47 CCOCCN(C)CCOCCO 2230a_100000228057_100011215890 [1,0,1,0,0,0|2,0,0]=4 543 B12R0.47 CCOCCN(C)CCOCCO 269982a_100000228057_100011215890 [1,0,1,0,0,0|2,0,0]=4 544 B12R0.47 CCSCCN(C)CCOCCO 2230a_100000228057_100000757381 [1,0,1,0,0,0|2,0,0]=4 545 B12R0.47 CCSCCN(C)CCOCCO 269982a_100000228057_100000757381 [1,0,1,0,0,0|2,0,0]=4 546 B12R0.47 CN(CCCCF)CCOCCO 2230a_100000228057_100000729493 [1,0,1,0,0,0|2,0,0]=4 547 B12R0.47 CN(CCCCF)CCOCCO 269982a_100000228057_100000729493 [1,0,1,0,0,0|2,0,0]=4 548 B12R0.47 CN(CCCCO)CCOCCO 2230a_100000228057_100000210776 [1,0,1,0,0,0|2,0,0]=4 549 B12R0.47 CN(CCCCO)CCOCCO 2230a_100000717598_100011215305 [1,0,1,0,0,0|2,0,0]=4 550 B12R0.47 CN(CCCCO)CCOCCO 269982a_100000228057_100000210776 [1,0,1,0,0,0|2,0,0]=4 551 B12R0.47 CN(CCCCO)CCOCCO 269982a_100000717598_100011215305 [1,0,1,0,0,0|2,0,0]=4 552 B12R0.47 COCCCN(C)CCOCCO 2230a_100000224831_100011215305 [1,0,1,0,0,0|2,0,0]=4 553 B12R0.47 COCCCN(C)CCOCCO 2230a_100000228057_100000740836 [1,0,1,0,0,0|2,0,0]=4 554 B12R0.47 COCCCN(C)CCOCCO 269982a_100000224831_100011215305 [1,0,1,0,0,0|2,0,0]=4 555 B12R0.47 COCCCN(C)CCOCCO 269982a_100000228057_100000740836 [1,0,1,0,0,0|2,0,0]=4 556 B12R0.233 CC(C)CCCC(=O)CCCCO 1458a_100000695505_100011214892 [1,0,1,0,0,0|1,0,1]=4 557 B12R0.233 CC(C)CCCC(=O)CCCCO 1458a_100011216857_100000210776 [1,0,1,0,0,0|1,0,1]=4 558 B12R0.233 CC(C)CCCC(=O)COCCO 1458a_100000708028_100011214892 [1,0,1,0,0,0|1,0,1]=4 559 B12R0.233 CC(C)CCCC(C)CCOCF 34a_100000015991_100015361967 [1,0,1,0,0,0|1,0,0]=3 560 B12R0.233 CC(C)CCCC(C)CCOCF 7a_100000015991_100015361967 [1,0,1,0,0,0|1,0,0]=3 561 B12R0.233 CC(C)CCCC(C)CCSCF 62a_100009816328_100015361967 [1,0,1,0,0,0|1,1,0]=4 562 B12R0.233 CC(C)CCCC(C)CCSCF 62a_100015361967_100009816328 [1,0,1,0,0,0|1,1,0]=4 563 B12R0.233 CC(C)CCCC(C)NCCCF 2230a_100000210607_100011934791 [1,0,1,0,0,0|2,0,0]=4 564 B12R0.233 CC(C)CCCC(C)NCCCF 270004a_100015189416_100000753411 [1,0,1,0,0,0|2,0,0]=4 565 B12R0.233 CC(C)CCCC(C)NCCCO 2230a_100000210607_100000230001 [1,0,1,0,0,0|1,0,0]=3 566 B12R0.233 CC(C)CCCC(C)NCCCO 270004a_100000182051_100000753411 [1,0,1,0,0,0|1,0,0]=3 567 B12R0.233 CC(C)CCCC(C)OCCCF 34a_200011218570_100011934791 [1,0,1,0,0,0|2,0,0]=4 568 B12R0.233 CC(C)CCCC(C)OCCCF 7a_200011218570_100011934791 [1,0,1,0,0,0|2,0,0]=4 569 B12R0.233 CC(C)CCCC(C)OCCCO 34a_200011218570_100000230001 [1,0,1,0,0,0|1,0,0]=3 570 B12R0.233 CC(C)CCCC(C)OCCCO 7a_200011218570_100011215043 [1,0,1,0,0,0|1,0,0]=3 571 B12R0.233 CC(C)CCCN(C)CCCCO 2230a_100000717598_100011214892 [1,0,1,0,0,0|1,0,0]=3 572 B12R0.233 CC(C)CCCN(C)CCCCO 269982a_100000717598_100011214892 [1,0,1,0,0,0|1,0,0]=3 573 B12R0.233 CC(C)OCCN(C)CCCCO 2230a_100000717598_100000211751 [1,0,1,0,0,0|2,0,0]=4 574 B12R0.233 CC(C)OCCN(C)CCCCO 269982a_100000717598_100000211751 [1,0,1,0,0,0|2,0,0]=4 575 B12R0.233 CC(C)SCCN(C)CCCCO 2230a_100000717598_100000730970 [1,0,1,0,0,0|2,0,0]=4 576 B12R0.233 CC(C)SCCN(C)CCCCO 269982a_100000717598_100000730970 [1,0,1,0,0,0|2,0,0]=4 577 B12R0.233 CC(CCOC(C)C)NCCCO 270004a_100000182051_200011219172 [1,0,1,0,0,0|2,0,0]=4 578 B12R0.233 CC(O)CCCN(C)CCCCO 2230a_100000717598_200000718107 [1,0,1,0,0,0|2,0,0]=4 579 B12R0.233 CC(O)CCCN(C)CCCCO 269982a_100000717598_200000718107 [1,0,1,0,0,0|2,0,0]=4 580 B12R0.233 CCCCCC(C)NCCC(C)C 2230a_100000211957_100000210312 [1,0,1,0,0,0|2,0,0]=4 581 B12R0.233 CCCCCC(C)NCCC(C)C 269862a_100000211957_100000185833 [1,0,1,0,0,0|2,0,0]=4 582 B12R0.233 CCCCCC(C)NCCC(C)C 270004a_100000210545_100000211708 [1,0,1,0,0,0|2,0,0]=4 583 B12R0.233 CCCCCC(C)OCCC(C)C 34a_100000210254_200011218191 [1,0,1,0,0,0|2,0,0]=4 584 B12R0.233 CCCCCC(C)OCCC(C)C 34a_100011215632_100000210312 [1,0,1,0,0,0|2,0,0]=4 585 B12R0.233 CCCCCC(C)OCCC(C)C 7a_100000210254_200011218191 [1,0,1,0,0,0|2,0,0]=4 586 B12R0.233 CCCCCC(C)OCCC(C)C 7a_100011215632_100000210626 [1,0,1,0,0,0|2,0,0]=4 587 B12R0.233 CCCCCC(C)SCCC(C)C 62a_100000210312_200011218191 [1,0,1,0,0,0|2,0,0]=4 588 B12R0.233 CCCCCC(C)SCCC(C)C 62a_200011218191_100000210312 [1,0,1,0,0,0|2,0,0]=4 589 B12R0.233 CCCCCN(C)CCCC(C)C 2230a_100000223495_100011214892 [1,0,1,0,0,0|2,0,0]=4 590 B12R0.233 CCCCCN(C)CCCC(C)C 269982a_100000223495_100011214892 [1,0,1,0,0,0|2,0,0]=4 591 B12R0.233 CCCCNC(C)CCCC(C)C 2230a_100000210607_100000210211 [1,0,1,0,0,0|2,0,0]=4 592 B12R0.233 CCCCNC(C)CCCC(C)C 270004a_100000102301_100000753411 [1,0,1,0,0,0|2,0,0]=4 593 B12R0.233 CCCCOC(C)CCCC(C)C 34a_200011218570_100000210210 [1,0,1,0,0,0|2,0,0]=4 594 B12R0.233 CCCCOC(C)CCCC(C)C 7a_200011218570_100000210211 [1,0,1,0,0,0|2,0,0]=4 595 B12R0.233 CCNCCC(C)CCCC(C)C 2230a_100015525214_100009816328 [1,0,1,0,0,0|1,0,0]=3 596 B12R0.233 CCNCCC(C)CCCC(C)C 2230a_102516457229_100000210202 [1,0,1,0,0,0|1,0,0]=3 597 B12R0.233 CCOCCC(=O)CCCC(C)C 1458a_100000749530_100011214892 [1,0,1,0,0,0|1,0,1]=4 598 B12R0.233 CCOCCC(=O)CCCC(C)C 1458a_100011216857_100011215890 [1,0,1,0,0,0|1,0,1]=4 599 B12R0.233 CCOCCC(C)CCC=C(C)C 34a_100000017536_100000210202 [1,0,1,0,0,0|0,0,2]=4 600 B12R0.233 CCOCCC(C)CCC=C(C)C 34a_100121572206_100009814015 [1,0,1,0,0,0|0,0,2]=4 601 B12R0.233 CCOCCC(C)CCC=C(C)C 7a_100000017536_100000210202 [1,0,1,0,0,0|0,0,2]=4 602 B12R0.233 CCOCCC(C)CCCC(C)C 34a_100000015991_100000210202 [1,0,1,0,0,0|0,0,0]=2 603 B12R0.233 CCOCCC(C)CCCC(C)C 34a_100121572206_100009816328 [1,0,1,0,0,0|0,0,0]=2 604 B12R0.233 CCOCCC(C)CCCC(C)C 7a_100000015991_100000210202 [1,0,1,0,0,0|0,0,0]=2 605 B12R0.233 CCOCCC(C)NCCC(C)C 270004a_100000210545_200011216536 [1,0,1,0,0,0|1,0,0]=3 606 B12R0.233 CCOCCC(C)NCCC(C)O 270004a_200000755665_200011216536 [1,0,1,0,0,0|2,0,0]=4 607 B12R0.233 CCOCCC(C)NCCN(C)C 270004a_100000210585_200011216536 [1,0,1,0,0,0|2,0,0]=4 608 B12R0.233 CCOCCN(C)CCCN(C)C 269982a_100000225831_100011215890 [1,0,1,0,0,0|2,0,0]=4 609 B12R0.233 CCSCCC(C)CCCC(C)C 62a_100000210202_100009816328 [1,0,1,0,0,0|0,1,0]=3 610 B12R0.233 CCSCCC(C)CCCC(C)C 62a_100009816328_100000210202 [1,0,1,0,0,0|0,1,0]=3 611 B12R0.233 CN(C)CCCN(C)CCCCO 269982a_100000225831_100000210776 [1,0,1,0,0,0|2,0,0]=4 612 B12R0.233 CN(C)CCCN(C)CCCCO 269982a_100000717598_100000757444 [1,0,1,0,0,0|2,0,0]=4 613 B12R0.234 CC(C)CCCCCCNCCF 2230a_100000211014_100011217306 [1,0,1,0,0,0|2,0,0]=4 614 B12R0.234 CC(C)CCCCCCNCCF 34a_100000211014_100011217306 [1,0,1,0,0,0|2,0,0]=4 615 B12R0.234 CC(C)CCCCCCNCCO 2230a_100000211014_100000211926 [1,0,1,0,0,0|1,0,0]=3 616 B12R0.234 CC(C)CCCCCCNCCO 34a_100000211014_100000211926 [1,0,1,0,0,0|1,0,0]=3 617 B12R0.234 CC(C)CCCCCNCCCO 2230a_100011290863_100000230001 [1,0,1,0,0,0|2,0,0]=4 618 B12R0.234 CC(C)CCCCCNCCCO 34a_100011290863_100000230001 [1,0,1,0,0,0|2,0,0]=4 619 B12R0.234 CC(C)CCCCCOCCCO 34a_100011995859_100000230001 [1,0,1,0,0,0|2,0,0]=4 620 B12R0.234 CC(C)CCCCCOCCCO 7a_100011995859_100011215043 [1,0,1,0,0,0|2,0,0]=4 621 B12R0.234 CC(C)CCCCCSCCCO 62a_100000210682_100011215043 [1,0,1,0,0,0|2,0,0]=4 622 B12R0.234 CC(C)CCCCCSCCCO 62a_100011215043_100000210682 [1,0,1,0,0,0|2,0,0]=4 623 B12R0.234 CC(C)CCCCNCCCCO 2230a_100000750430_100011216152 [1,0,1,0,0,0|2,0,0]=4 624 B12R0.234 CC(C)CCCCNCCCCO 34a_100000750430_100011216152 [1,0,1,0,0,0|2,0,0]=4 625 B12R0.234 CC(C)CCCCOCCCCO 34a_100011214890_100011216708 [1,0,1,0,0,0|2,0,0]=4 626 B12R0.234 CC(C)CCCCOCCCCO 7a_100011214890_100000210776 [1,0,1,0,0,0|2,0,0]=4 627 B12R0.234 CC(C)CCCCSCCCCO 62a_100000210776_100011216152 [1,0,1,0,0,0|2,0,0]=4 628 B12R0.234 CC(C)CCCCSCCCCO 62a_100011216152_100000210776 [1,0,1,0,0,0|2,0,0]=4 629 B12R0.234 CC(C)CCCNCCCCCO 2230a_100000762737_100011214892 [1,0,1,0,0,0|2,0,0]=4 630 B12R0.234 CC(C)CCCNCCCCCO 2230a_200000737386_100000746330 [1,0,1,0,0,0|2,0,0]=4 631 B12R0.234 CC(C)CCCNCCCCCO 34a_100000762737_100011214892 [1,0,1,0,0,0|2,0,0]=4 632 B12R0.234 CC(C)CCCNCCCCCO 34a_200000737386_100000746330 [1,0,1,0,0,0|2,0,0]=4 633 B12R0.234 CC(C)CCCNCCOCCO 2230a_100000211614_100011214892 [1,0,1,0,0,0|1,0,0]=3 634 B12R0.234 CC(C)CCCNCCOCCO 2230a_200000737386_100011215305 [1,0,1,0,0,0|1,0,0]=3 635 B12R0.234 CC(C)CCCNCCOCCO 34a_100000211614_100011214892 [1,0,1,0,0,0|1,0,0]=3 636 B12R0.234 CC(C)CCCNCCOCCO 34a_200000737386_100000692535 [1,0,1,0,0,0|1,0,0]=3 637 B12R0.234 CC(C)CCCNCCSCCO 2230a_100011219999_100011214892 [1,0,1,0,0,0|1,1,0]=4 638 B12R0.234 CC(C)CCCOCCCCCO 34a_100000210774_100000746330 [1,0,1,0,0,0|2,0,0]=4 639 B12R0.234 CC(C)CCCOCCCCCO 7a_100000210774_100000746330 [1,0,1,0,0,0|2,0,0]=4 640 B12R0.234 CC(C)CCCOCCOCCBr 34a_100000692535_100011214892 [1,0,1,0,0,0|2,0,0]=4 641 B12R0.234 CC(C)CCCOCCOCCBr 7a_100000692535_100011214892 [1,0,1,0,0,0|2,0,0]=4 642 B12R0.234 CC(C)CCCOCCOCCCl 34a_100011215305_100011214892 [1,0,1,0,0,0|2,0,0]=4 643 B12R0.234 CC(C)CCCOCCOCCCl 7a_100011215305_100011214892 [1,0,1,0,0,0|2,0,0]=4 644 B12R0.234 CC(C)CCCOCCOCCF 34a_200015357709_100011214892 [1,0,1,0,0,0|2,0,0]=4 645 B12R0.234 CC(C)CCCOCCOCCF 7a_200015357709_100011214892 [1,0,1,0,0,0|2,0,0]=4 646 B12R0.234 CC(C)CCCOCCOCCI 34a_100012149058_100011214892 [1,0,1,0,0,0|2,0,0]=4 647 B12R0.234 CC(C)CCCOCCOCCI 7a_100012149058_100011214892 [1,0,1,0,0,0|2,0,0]=4 648 B12R0.234 CC(C)CCCOCCOCCN 34a_100000211614_100011214892 [1,0,1,0,0,0|2,0,0]=4 649 B12R0.234 CC(C)CCCOCCOCCO 34a_100000210774_100000692535 [1,0,1,0,0,0|1,0,0]=3 650 B12R0.234 CC(C)CCCOCCOCCO 7a_100000210774_100011215305 [1,0,1,0,0,0|1,0,0]=3 651 B12R0.234 CC(C)CCCSCCCCCO 62a_100000746330_100011214892 [1,0,1,0,0,0|2,0,0]=4 652 B12R0.234 CC(C)CCCSCCCCCO 62a_100011214892_100000746330 [1,0,1,0,0,0|2,0,0]=4 653 B12R0.234 CC(C)CCCSCCOCCO 62a_100011214892_100011215305 [1,0,1,0,0,0|1,0,0]=3 654 B12R0.234 CC(C)CCCSCCOCCO 62a_100011215305_100011214892 [1,0,1,0,0,0|1,0,0]=3 655 B12R0.234 CC(C)CCNCCCCCCO 2230a_100000686447_100000210312 [1,0,1,0,0,0|2,0,0]=4 656 B12R0.234 CC(C)CCNCCCCCCO 269862a_100000686447_100000185833 [1,0,1,0,0,0|2,0,0]=4 657 B12R0.234 CC(C)CCNCCCCCCO 34a_100000686447_100000210312 [1,0,1,0,0,0|2,0,0]=4 658 B12R0.234 CC(C)CCOCCCCCCO 34a_100000210254_100000766143 [1,0,1,0,0,0|2,0,0]=4 659 B12R0.234 CC(C)CCOCCCCCCO 7a_100000210254_100000766143 [1,0,1,0,0,0|2,0,0]=4 660 B12R0.234 CC(C)CCSCCCCCCO 62a_100000210312_100000766143 [1,0,1,0,0,0|2,0,0]=4 661 B12R0.234 CC(C)CCSCCCCCCO 62a_100000766143_100000210312 [1,0,1,0,0,0|2,0,0]=4 662 B12R0.234 CC(C)CNCCCCCCCO 2230a_100000210953_100000760002 [1,0,1,0,0,0|2,0,0]=4 663 B12R0.234 CC(C)CNCCCCCCCO 2230a_100011996573_100000210760 [1,0,1,0,0,0|2,0,0]=4 664 B12R0.234 CC(C)CNCCCCCCCO 270004a_100011996573_100000210432 [1,0,1,0,0,0|2,0,0]=4 665 B12R0.234 CC(C)CNCCCCCCCO 34a_100000210953_100000760002 [1,0,1,0,0,0|2,0,0]=4 666 B12R0.234 CC(C)CNCCCCCCCO 34a_100011996573_100000210624 [1,0,1,0,0,0|2,0,0]=4 667 B12R0.234 CC(C)COCCCCCCCO 34a_100000210257_100000760002 [1,0,1,0,0,0|2,0,0]=4 668 B12R0.234 CC(C)CSCCCCCCCO 62a_100000210624_100000760002 [1,0,1,0,0,0|2,0,0]=4 669 B12R0.234 CC(C)CSCCCCCCCO 62a_100000760002_100000210760 [1,0,1,0,0,0|2,0,0]=4 670 B12R0.234 CC(C)NCCCCCCCCO 2230a_100138425928_100000033203 [1,0,1,0,0,0|2,0,0]=4 671 B12R0.234 CC(C)NCCCCCCCCO 2230a_102515433106_100000210206 [1,0,1,0,0,0|2,0,0]=4 672 B12R0.234 CC(C)NCCCCCCCCO 34a_100138425928_100000033203 [1,0,1,0,0,0|2,0,0]=4 673 B12R0.234 CC(C)NCCCCCCCCO 34a_102515433106_100000210206 [1,0,1,0,0,0|2,0,0]=4 674 B12R0.234 CC(C)NCCCCCOCCF 34a_100011629493_100011217306 [1,0,1,0,0,0|2,0,0]=4 675 B12R0.234 CC(C)NCCCCCOCCO 34a_100011629493_100000211926 [1,0,1,0,0,0|1,0,0]=3 676 B12R0.234 CC(C)NCCOCCOCCO 2230a_100011998139_100000210206 [1,0,1,0,0,0|2,0,0]=4 677 B12R0.234 CC(C)NCCOCCOCCO 2230a_100138425928_100000032323 [1,0,1,0,0,0|2,0,0]=4 678 B12R0.234 CC(C)NCCOCCOCCO 34a_100000224655_100000692535 [1,0,1,0,0,0|2,0,0]=4 679 B12R0.234 CC(C)NCCOCCOCCO 34a_100011998139_100000210206 [1,0,1,0,0,0|2,0,0]=4 680 B12R0.234 CC(C)NCCOCCOCCO 34a_100138425928_100000032323 [1,0,1,0,0,0|2,0,0]=4 681 B12R0.234 CC(C)OCCCCCCCCO 34a_100000212225_100000033203 [1,0,1,0,0,0|2,0,0]=4 682 B12R0.234 CC(C)OCCNCCOCCO 2230a_100000211614_100000211751 [1,0,1,0,0,0|2,0,0]=4 683 B12R0.234 CC(C)OCCNCCOCCO 2230a_100000701111_100011215305 [1,0,1,0,0,0|2,0,0]=4 684 B12R0.234 CC(C)OCCNCCOCCO 34a_100000211614_100000211751 [1,0,1,0,0,0|2,0,0]=4 685 B12R0.234 CC(C)OCCNCCOCCO 34a_100000701111_100000692535 [1,0,1,0,0,0|2,0,0]=4 686 B12R0.234 CC(C)OCCOCCOCCO 34a_100000211219_100000692535 [1,0,1,0,0,0|2,0,0]=4 687 B12R0.234 CC(C)OCCOCCOCCO 34a_100000212225_100000032323 [1,0,1,0,0,0|2,0,0]=4 688 B12R0.234 CC(C)OCCOCCOCCO 7a_100000211219_100011215305 [1,0,1,0,0,0|2,0,0]=4 689 B12R0.234 CC(C)OCCSCCOCCO 62a_100000211751_100011215305 [1,0,1,0,0,0|2,0,0]=4 690 B12R0.234 CC(C)OCCSCCOCCO 62a_100011215305_100000211751 [1,0,1,0,0,0|2,0,0]=4 691 B12R0.234 CC(C)SCCCCCCCCO 62a_100000033203_100000210206 [1,0,1,0,0,0|2,0,0]=4 692 B12R0.234 CC(C)SCCCCCCCCO 62a_100000210206_100000033203 [1,0,1,0,0,0|2,0,0]=4 693 B12R0.234 CC(C)SCCNCCOCCO 2230a_100000211614_100000730970 [1,0,1,0,0,0|2,0,0]=4 694 B12R0.234 CC(C)SCCNCCOCCO 2230a_100000731138_100011215305 [1,0,1,0,0,0|2,0,0]=4 695 B12R0.234 CC(C)SCCNCCOCCO 34a_100000211614_100000730970 [1,0,1,0,0,0|2,0,0]=4 696 B12R0.234 CC(C)SCCNCCOCCO 34a_100000731138_100000692535 [1,0,1,0,0,0|2,0,0]=4 697 B12R0.234 CC(C)SCCOCCOCCO 34a_200011212901_100000692535 [1,0,1,0,0,0|2,0,0]=4 698 B12R0.234 CC(C)SCCOCCOCCO 62a_100000032323_100000210206 [1,0,1,0,0,0|2,0,0]=4 699 B12R0.234 CC(C)SCCOCCOCCO 62a_100000210206_100000032323 [1,0,1,0,0,0|2,0,0]=4 700 B12R0.234 CC(C)SCCOCCOCCO 7a_200011212901_100011215305 [1,0,1,0,0,0|2,0,0]=4 701 B12R0.234 CC(C)SCCSCCOCCO 62a_100000730970_100011215305 [1,0,1,0,0,0|2,0,0]=4 702 B12R0.234 CC(C)SCCSCCOCCO 62a_100011215305_100000730970 [1,0,1,0,0,0|2,0,0]=4 703 B12R0.234 CC(O)CCCNCCOCCO 2230a_100000211614_200000718107 [1,0,1,0,0,0|2,0,0]=4 704 B12R0.234 CC(O)CCCNCCOCCO 34a_100000211614_200000718107 [1,0,1,0,0,0|2,0,0]=4 705 B12R0.234 CC(O)CCCSCCOCCO 62a_100011215305_200000718107 [1,0,1,0,0,0|2,0,0]=4 706 B12R0.234 CC(O)CCCSCCOCCO 62a_200000718107_100011215305 [1,0,1,0,0,0|2,0,0]=4 707 B12R0.234 CCCNCCCCCCC(C)C 2230a_100000211014_100000210303 [1,0,1,0,0,0|2,0,0]=4 708 B12R0.234 CCCNCCCCCCC(C)C 34a_100000211014_100000210303 [1,0,1,0,0,0|2,0,0]=4 709 B12R0.234 CCCOCCCCCNC(C)C 34a_100011629493_100000210303 [1,0,1,0,0,0|2,0,0]=4 710 B12R0.234 CCCOCCCNCCC(C)C 2230a_100011217757_100000210312 [1,0,1,0,0,0|2,0,0]=4 711 B12R0.234 CCCOCCCNCCC(C)C 269862a_100011217757_100000185833 [1,0,1,0,0,0|2,0,0]=4 712 B12R0.234 CCCOCCCNCCC(C)C 34a_100011217757_100000210312 [1,0,1,0,0,0|2,0,0]=4 713 B12R0.234 CCCOCCNCCCC(C)C 2230a_100161115042_100011214892 [1,0,1,0,0,0|2,0,0]=4 714 B12R0.234 CCCOCCNCCCC(C)C 2230a_200000737386_100011215938 [1,0,1,0,0,0|2,0,0]=4 715 B12R0.234 CCCOCCNCCCC(C)C 34a_100161115042_100011214892 [1,0,1,0,0,0|2,0,0]=4 716 B12R0.234 CCCOCCNCCCC(C)C 34a_200000737386_100011215938 [1,0,1,0,0,0|2,0,0]=4 717 B12R0.234 CCCOCCOCCCC(C)C 34a_100000210774_100011215938 [1,0,1,0,0,0|2,0,0]=4 718 B12R0.234 CCCOCCOCCCC(C)C 34a_100000752267_100011214892 [1,0,1,0,0,0|2,0,0]=4 719 B12R0.234 CCCOCCOCCCC(C)C 7a_100000210774_100011215938 [1,0,1,0,0,0|2,0,0]=4 720 B12R0.234 CCCOCCOCCCC(C)C 7a_100000752267_100011214892 [1,0,1,0,0,0|2,0,0]=4 721 B12R0.234 CCCOCCSCCCC(C)C 62a_100011214892_100011215938 [1,0,1,0,0,0|2,0,0]=4 722 B12R0.234 CCCOCCSCCCC(C)C 62a_100011215938_100011214892 [1,0,1,0,0,0|2,0,0]=4 723 B12R0.234 CN(C)CCCCCCCCCO 2230a_100102631434_100009813782 [1,0,1,0,0,0|2,0,0]=4 724 B12R0.234 CN(C)CCCCCCCCCO 269982a_100102631434_100009813782 [1,0,1,0,0,0|2,0,0]=4 725 B12R0.234 CN(C)CCCSCCOCCO 62a_100011215305_100000757444 [1,0,1,0,0,0|2,0,0]=4 726 B12R0.13 CCCN(CCCO)C(C)C(C)C 2230a_200015185082_100000230001 [1,0,1,0,0,0|2,0,0]=4 727 B12R0.13 CCCN(CCCO)C(C)C(C)C 269982a_200015185082_100011215043 [1,0,1,0,0,0|2,0,0]=4 728 B12R0.14 CCCN(CCCO)C(CC)CC 2230a_100015185089_100000230001 [1,0,1,0,0,0|2,0,0]=4 729 B12R0.14 CCCN(CCCO)C(CC)CC 269982a_100015185089_100011215043 [1,0,1,0,0,0|2,0,0]=4 730 B12R0.549 CCC(C(C)C)N(CCO)CCO 270004a_100000210587_100000210600 [1,0,1,0,0,0|2,0,0]=4 731 B12R0.549 CCCC(CCC)N(CC)C(C)C 269982a_100000223864_200011218217 [1,0,1,0,0,0|2,0,0]=4 732 B12R0.549 CCCC(CCC)N(CC)C(C)C 270004a_100000223864_100000210088 [1,0,1,0,0,0|2,0,0]=4 733 B12R0.549 CCCN(CCC)C(CC)C(C)C 270004a_100000210455_100000210600 [1,0,1,0,0,0|2,0,0]=4 734 B12R0.549 CCCN(CCO)C(CC)C(C)C 270004a_100000211420_100000210600 [1,0,1,0,0,0|1,0,0]=3 735 B12R0.242 C#CCOC(CC(C)C)CC(C)C 34a_100011219621_100000184674 [1,0,1,0,0,0|1,0,1]=4 736 B12R0.242 C#CCOC(CC(C)C)CC(C)C 7a_100011219621_100000038162 [1,0,1,0,0,0|1,0,1]=4 737 B12R0.242 C=CCOC(CC(C)C)CC(C)C 34a_100011219621_100015514636 [1,0,1,0,0,0|1,0,1]=4 738 B12R0.242 C=CCOC(CC(C)C)CC(C)C 7a_100011219621_100015514636 [1,0,1,0,0,0|1,0,1]=4 739 B12R0.242 CC(C)CC(CC(C)C)NCCF 2230a_100000751966_100011217306 [1,0,1,0,0,0|2,0,0]=4 740 B12R0.242 CC(C)CC(CC(C)C)NCCO 2230a_100000751966_100000211926 [1,0,1,0,0,0|1,0,0]=3 741 B12R0.242 CC(C)CC(CC(C)C)OCC#N 7a_100011219621_100011215382 [1,0,1,0,0,0|1,0,1]=4 742 B12R0.242 CC(C)CC(CC(C)C)OCC=O 34a_100011219621_200009817547 [1,0,1,0,0,0|0,0,2]=4 743 B12R0.242 CC(C)CC(CC(C)C)OCC=O 7a_100011219621_200015260668 [1,0,1,0,0,0|0,0,2]=4 744 B12R0.242 CC(C)CC(CC(C)C)OCCF 34a_100011219621_100011217306 [1,0,1,0,0,0|1,0,0]=3 745 B12R0.242 CC(C)CC(CC(C)C)OCCF 7a_100011219621_100011217306 [1,0,1,0,0,0|1,0,0]=3 746 B12R0.242 CC(C)CC(CC(C)C)OCCO 34a_100011219621_100000211926 [1,0,1,0,0,0|0,0,0]=2 747 B12R0.242 CC(C)CC(CC(C)C)OCCO 7a_100011219621_100000211926 [1,0,1,0,0,0|0,0,0]=2 748 B12R0.242 CC(C)CN(CCCO)CC(C)C 2230a_100000201412_100000230001 [1,0,1,0,0,0|2,0,0]=4 749 B12R0.242 CC(C)CN(CCCO)CC(C)C 269982a_100000201412_100011215043 [1,0,1,0,0,0|2,0,0]=4 750 B12R0.242 CC(C)CN(CCCO)CC(C)C 34a_100000201412_100000230001 [1,0,1,0,0,0|2,0,0]=4 751 B12R0.242 CCCNC(CC(C)C)CC(C)C 2230a_100000751966_100000210303 [1,0,1,0,0,0|2,0,0]=4 752 B12R0.242 CCCOC(CC(C)C)CC(C)C 34a_100011219621_100000210303 [1,0,1,0,0,0|1,0,0]=3 753 B12R0.242 CCCOC(CC(C)C)CC(C)C 7a_100011219621_100000210303 [1,0,1,0,0,0|1,0,0]=3 754 B12R0.242 CSCOC(CC(C)C)CC(C)C 34a_100011219621_100011218213 [1,0,1,0,0,0|2,0,0]=4 755 B12R0.243 CCC#CC(CC(C)C)OCCO 34a_200000035896_100000211926 [1,0,1,0,0,0|0,0,2]=4 756 B12R0.243 CCC#CC(CC(C)C)OCCO 7a_200000035896_100000211926 [1,0,1,0,0,0|0,0,2]=4 757 B12R0.399 CC(C)CN(CCO)C[C@@H](C)CO 2230a_100015185251_100000059175 [1,0,1,0,0,0|2,0,0]=4 758 B12R0.399 CC(C)CN(CCO)C[C@@H](C)CO 269982a_100015185251_100000059175 [1,0,1,0,0,0|2,0,0]=4 759 B12R0.399 CC(C)C[C@@H](CCO)NC(C)CO 2230a_100161151251_100012180447 [1,0,1,0,0,0|2,0,0]=4 760 B12R0.399 CCC(C)CN(CCO)CC(C)C 2230a_100015185251_100000748023 [1,0,1,0,0,0|1,0,0]=3 761 B12R0.399 CCC(C)CN(CCO)CC(C)C 269982a_100015185251_100000748023 [1,0,1,0,0,0|1,0,0]=3 762 B12R0.399 CCC(C)CN(CCO)CC(C)C 270004a_100015185251_100000243153 [1,0,1,0,0,0|1,0,0]=3 763 B12R0.399 CCC(C)CN(CCO)CC(C)O 2230a_100000731851_100000748023 [1,0,1,0,0,0|2,0,0]=4 764 B12R0.399 CCC(C)CN(CCO)CC(C)O 269982a_100000731851_100000748023 [1,0,1,0,0,0|2,0,0]=4 765 B12R0.399 CCC(C)N[C@H](CCO)CC(C)C 2230a_100161151251_100000758301 [1,0,1,0,0,0|1,0,0]=3 766 B12R0.399 CCC(O)CN(CCO)CC(C)C 2230a_100015185251_100011218378 [1,0,1,0,0,0|2,0,0]=4 767 B12R0.399 CCC(O)CN(CCO)CC(C)C 269982a_100015185251_100011218378 [1,0,1,0,0,0|2,0,0]=4 768 B12R0.399 CCCC(CC(C)C)OC(C)CC 34a_100011351045_100011215416 [1,0,1,0,0,0|2,0,0]=4 769 B12R0.399 CCCC(CC(C)C)OC(C)CC 7a_100011351045_100000758301 [1,0,1,0,0,0|2,0,0]=4 770 B12R0.399 CC[C@H](C)CN(CCO)CC(C)C 2230a_100015185251_100009816398 [1,0,1,0,0,0|1,0,0]=3 771 B12R0.399 CC[C@H](C)CN(CCO)CC(C)C 269982a_100015185251_100009816398 [1,0,1,0,0,0|1,0,0]=3 772 B12R0.399 CC[C@H](C)CN(CCO)CC(C)O 2230a_100000731851_100009816398 [1,0,1,0,0,0|2,0,0]=4 773 B12R0.399 CC[C@H](C)CN(CCO)CC(C)O 269982a_100000731851_100009816398 [1,0,1,0,0,0|2,0,0]=4 774 B12R0.53 CCCN(CC(C)C)C(C)C(C)C 2230a_200015185082_100000210760 [1,0,1,0,0,0|2,0,0]=4 775 B12R0.53 CCCN(CC(C)C)C(C)C(C)C 269982a_200015185082_100000210624 [1,0,1,0,0,0|2,0,0]=4 776 B12R0.53 CCCN(CC(C)C)C(C)C(C)C 270004a_200015185082_100000210432 [1,0,1,0,0,0|2,0,0]=4 777 B12R0.55 CC(C)CCN(CCCO)C(C)C 2230a_100000182298_100000210312 [1,0,1,0,0,0|1,0,0]=3 778 B12R0.55 CC(C)CCN(CCCO)C(C)C 269982a_100000182298_100000210312 [1,0,1,0,0,0|1,0,0]=3 779 B12R0.55 CC(C)N(CCCO)CCN(C)C 269982a_100000182298_100000755713 [1,0,1,0,0,0|2,0,0]=4 780 B12R0.55 CC(C)OCN(CCCO)C(C)C 2230a_100000182298_100000709892 [1,0,1,0,0,0|2,0,0]=4 781 B12R0.55 CC(C)OCN(CCCO)C(C)C 269982a_100000182298_100000709892 [1,0,1,0,0,0|2,0,0]=4 782 B12R0.55 CC(O)CCN(CCCO)C(C)C 2230a_100000182298_100012276601 [1,0,1,0,0,0|2,0,0]=4 783 B12R0.55 CC(O)CCN(CCCO)C(C)C 269982a_100000182298_100012276601 [1,0,1,0,0,0|2,0,0]=4 784 B12R0.55 CCCCC(NCC(C)C)C(C)C 270004a_100000210953_200011215219 [1,0,1,0,0,0|2,0,0]=4 785 B12R0.55 CCCCN(CCC(C)C)C(C)C 2230a_100000207398_100000210312 [1,0,1,0,0,0|2,0,0]=4 786 B12R0.55 CCCCN(CCC(C)C)C(C)C 269982a_100000207398_100000210312 [1,0,1,0,0,0|2,0,0]=4 787 B12R0.124 CCC(CCC(C)C)OCCCO 34a_100011216567_100000230001 [1,0,1,0,0,0|2,0,0]=4 788 B12R0.124 CCC(CCC(C)C)OCCCO 7a_100011216567_100011215043 [1,0,1,0,0,0|2,0,0]=4 789 B12R0.124 CCN(CCCCO)CCC(C)C 2230a_100000207693_100000210776 [1,0,1,0,0,0|2,0,0]=4 790 B12R0.124 CCN(CCCCO)CCC(C)C 2230a_100011217355_100000210312 [1,0,1,0,0,0|2,0,0]=4 791 B12R0.124 CCN(CCCCO)CCC(C)C 269982a_100000207693_100000210776 [1,0,1,0,0,0|2,0,0]=4 792 B12R0.124 CCN(CCCCO)CCC(C)C 269982a_100011217355_100000210312 [1,0,1,0,0,0|2,0,0]=4 793 B12R0.244 CCCCC(NCCCO)C(C)C 270004a_100000182051_200011215219 [1,0,1,0,0,0|2,0,0]=4 794 B12R0.244 CCCCN(CCCCO)C(C)C 2230a_100000207398_100000210776 [1,0,1,0,0,0|2,0,0]=4 795 B12R0.244 CCCCN(CCCCO)C(C)C 2230a_100011521146_100000210211 [1,0,1,0,0,0|2,0,0]=4 796 B12R0.244 CCCCN(CCCCO)C(C)C 2230a_200011216965_100000210206 [1,0,1,0,0,0|2,0,0]=4 797 B12R0.244 CCCCN(CCCCO)C(C)C 269982a_100000207398_100000210776 [1,0,1,0,0,0|2,0,0]=4 798 B12R0.244 CCCCN(CCCCO)C(C)C 269982a_100011521146_100000210211 [1,0,1,0,0,0|2,0,0]=4 799 B12R0.244 CCCCN(CCCCO)C(C)C 269982a_200011216965_100000210206 [1,0,1,0,0,0|2,0,0]=4 800 B12R0.337 CC(C)N(CCCO)C(C)CCO 2230a_100000182298_100009893172 [1,0,1,0,0,0|2,0,0]=4 801 B12R0.337 CC(C)N(CCCO)C(C)CCO 269982a_100000182298_100009893172 [1,0,1,0,0,0|2,0,0]=4 802 B12R0.337 CCCCC(C(C)C)N(C)CCC 270004a_100000747261_200011215219 [1,0,1,0,0,0|2,0,0]=4 803 B12R0.337 CCCCC(C(C)C)N(C)CCO 270004a_100000210263_200011215219 [1,0,1,0,0,0|1,0,0]=3 804 B12R0.337 CCCCC(C(C)CCC)N(C)C 270004a_100102631434_100011216208 [1,0,1,0,0,0|2,0,0]=4 805 B12R0.337 CCCCN(C(C)C)C(C)CCC 2230a_100000207398_100000766640 [1,0,1,0,0,0|2,0,0]=4 806 B12R0.337 CCCCN(C(C)C)C(C)CCC 269982a_100000207398_100000766640 [1,0,1,0,0,0|2,0,0]=4 807 B12R0.337 CCCCN(C(C)C)C(C)CCC 270004a_100000207398_100000211909 [1,0,1,0,0,0|2,0,0]=4 808 B12R0.337 CCCCN(C(C)C)C(C)CCO 2230a_100000207398_100009893172 [1,0,1,0,0,0|1,0,0]=3 809 B12R0.337 CCCCN(C(C)C)C(C)CCO 269982a_100000207398_100009893172 [1,0,1,0,0,0|1,0,0]=3 810 B12R0.337 CCCOC(C(C)C)C(C)CCC 34a_200011290769_100000210303 [1,0,1,0,0,0|2,0,0]=4 811 B12R0.337 CCCOC(C(C)C)C(C)CCC 7a_200011290769_100000210303 [1,0,1,0,0,0|2,0,0]=4 812 B12R0.337 COCCN(C(C)C)C(C)CCO 2230a_200000223778_100009893172 [1,0,1,0,0,0|2,0,0]=4 813 B12R0.337 COCCN(C(C)C)C(C)CCO 269982a_200000223778_100009893172 [1,0,1,0,0,0|2,0,0]=4 814 B12R0.351 C#CCOC(C)C(CC)CCCC 34a_200011290779_100000184674 [1,0,1,0,0,0|1,0,1]=4 815 B12R0.351 C#CCOC(C)C(CC)CCCC 7a_200011290779_100000038162 [1,0,1,0,0,0|1,0,1]=4 816 B12R0.351 C=CCOC(C)C(CC)CCCC 34a_200011290779_100015514636 [1,0,1,0,0,0|1,0,1]=4 817 B12R0.351 C=CCOC(C)C(CC)CCCC 7a_200011290779_100015514636 [1,0,1,0,0,0|1,0,1]=4 818 B12R0.351 CCCCC(CC)C(C)OCC#N 7a_200011290779_100011215382 [1,0,1,0,0,0|1,0,1]=4 819 B12R0.351 CCCCC(CC)C(C)OCC=O 34a_200011290779_200009817547 [1,0,1,0,0,0|0,0,2]=4 820 B12R0.351 CCCCC(CC)C(C)OCC=O 7a_200011290779_200015260668 [1,0,1,0,0,0|0,0,2]=4 821 B12R0.351 CCCCC(CC)C(C)OCCC 34a_200011290779_100000210303 [1,0,1,0,0,0|1,0,0]=3 822 B12R0.351 CCCCC(CC)C(C)OCCC 7a_200011290779_100000210303 [1,0,1,0,0,0|1,0,0]=3 823 B12R0.351 CCCCC(CC)C(C)OCCF 34a_200011290779_100011217306 [1,0,1,0,0,0|1,0,0]=3 824 B12R0.351 CCCCC(CC)C(C)OCCF 7a_200011290779_100011217306 [1,0,1,0,0,0|1,0,0]=3 825 B12R0.351 CCCCC(CC)C(C)OCCO 34a_200011290779_100000211926 [1,0,1,0,0,0|0,0,0]=2 826 B12R0.351 CCCCC(CC)C(C)OCCO 7a_200011290779_100000211926 [1,0,1,0,0,0|0,0,0]=2 827 B12R0.351 CCCCC(CC)C(C)OCSC 34a_200011290779_100011218213 [1,0,1,0,0,0|2,0,0]=4 828 B12R0.351 CCCCC(CC)N(C)CCCO 269982a_100000213112_200011216223 [1,0,1,0,0,0|2,0,0]=4 829 B12R0.351 CCCCC(CC)N(C)CCCO 270004a_100000213112_100000753412 [1,0,1,0,0,0|2,0,0]=4 830 B12R1.57 C=C(C)[C@@H]1CC[C@H](C[C@H]1OC)C 34a_100016197468_200000210301 [2,0,0,0,0,0|0,0,2]=4 831 B12R1.57 C=C(C)[C@@H]1CC[C@H](C[C@H]1OC)C 7a_100016197468_200000210301 [2,0,0,0,0,0|0,0,2]=4 832 B12R1.57 C=C(C)[C@@H]1CC[C@H](C[C@H]1O[13CH3])C 34a_100016197468_200025704644 [2,0,0,0,0,0|0,0,2]=4 833 B12R1.57 C=C(C)[C@@H]1CC[C@H](C[C@H]1O[13CH3])C 7a_100016197468_200025704644 [2,0,0,0,0,0|0,0,2]=4 834 B12R1.57 CC(C)[C@@H]1CC[C@H](C[C@H]1N[13CH3])C 2230a_100025773825_200025704644 [2,0,0,0,0,0|1,0,0]=3 835 B12R1.57 CC(C)[C@@H]1CC[C@H](C[C@H]1N[13CH3])C 34a_100025773825_200025704644 [2,0,0,0,0,0|1,0,0]=3 836 B12R1.57 CC(C)[C@H]1CC[C@@H](C[C@@H]1O[13CH3])C 34a_100000763588_200025704644 [2,0,0,0,0,0|0,0,0]=2 837 B12R1.57 CC(C)[C@H]1CC[C@@H](C[C@@H]1O[13CH3])C 7a_100000763588_200025704644 [2,0,0,0,0,0|0,0,0]=2 838 B12R1.57 CC(C)[C@H]1CC[C@@H](C[C@@H]1S[13CH3])C 62a_200009893639_200025704644 [2,0,0,0,0,0|0,1,0]=3 839 B12R1.57 CC(C)[C@H]1CC[C@@H](C[C@@H]1S[13CH3])C 62a_200025704644_200009893639 [2,0,0,0,0,0|0,1,0]=3 840 B12R1.57 CCC1CN(CCN1C(C)C)C 2230a_100011941019_100000210206 [2,0,0,0,0,0|2,0,0]=4 841 B12R1.57 CCC1CN(CCN1C(C)C)C 2230a_200011886666_200000210301 [2,0,0,0,0,0|2,0,0]=4 842 B12R1.57 CCC1CN(CCN1C(C)C)C 269982a_100011941019_100000210206 [2,0,0,0,0,0|2,0,0]=4 843 B12R1.57 CCC1CN(CCN1C(C)C)C 269982a_200011886666_200000210301 [2,0,0,0,0,0|2,0,0]=4 844 B12R1.57 CCC1CN(CCN1C(C)C)C 34a_200011886666_200000210301 [2,0,0,0,0,0|2,0,0]=4 845 B12R1.57 CCC1CN(CCN1C(C)C)[13CH3] 2230a_200011886666_200025704644 [2,0,0,0,0,0|2,0,0]=4 846 B12R1.57 CCC1CN(CCN1C(C)C)[13CH3] 269982a_200011886666_200025704644 [2,0,0,0,0,0|2,0,0]=4 847 B12R1.57 CCC1CN(CCN1C(C)C)[13CH3] 34a_200011886666_200025704644 [2,0,0,0,0,0|2,0,0]=4 848 B12R1.57 CNC1C[C@@H](CC[C@H]1C(C)C)C 269862a_106832991636_100009815803 [2,0,0,0,0,0|1,0,0]=3 849 B12R1.57 CN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 2230a_100025773825_200000210301 [2,0,0,0,0,0|1,0,0]=3 850 B12R1.57 CN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 34a_100025773825_200000210301 [2,0,0,0,0,0|1,0,0]=3 851 B12R1.57 CN[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100102657272_200009893639 [2,0,0,0,0,0|1,0,0]=3 852 B12R1.57 CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_200000210301 [2,0,0,0,0,0|0,0,0]=2 853 B12R1.57 CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100138415774_200009893639 [2,0,0,0,0,0|0,0,0]=2 854 B12R1.57 CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_200000210301 [2,0,0,0,0,0|0,0,0]=2 855 B12R1.57 CS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200000210301_200009893639 [2,0,0,0,0,0|0,1,0]=3 856 B12R1.57 CS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_200000210301 [2,0,0,0,0,0|0,1,0]=3 857 B12R1.283 CC(C)C1CCCCC1OCF 34a_100011709184_100015361967 [2,0,0,0,0,0|1,0,0]=3 858 B12R1.283 CC(C)C1CCCCC1OCF 7a_100011709184_100015361967 [2,0,0,0,0,0|1,0,0]=3 859 B12R1.283 CC(C)C1CCCCN1CCF 2230a_100000757267_100011217306 [2,0,0,0,0,0|2,0,0]=4 860 B12R1.283 CC(C)C1CCCCN1CCF 269982a_100000757267_100011217306 [2,0,0,0,0,0|2,0,0]=4 861 B12R1.283 CC(C)C1CCCCN1CCF 34a_100000757267_100011217306 [2,0,0,0,0,0|2,0,0]=4 862 B12R1.283 CC(C)C1CCCCN1CCO 2230a_100000757267_100000211926 [2,0,0,0,0,0|1,0,0]=3 863 B12R1.283 CC(C)C1CCCCN1CCO 269982a_100000757267_100000211926 [2,0,0,0,0,0|1,0,0]=3 864 B12R1.283 CC(C)C1CCCCN1CCO 34a_100000757267_100000211926 [2,0,0,0,0,0|1,0,0]=3 865 B12R1.283 CC(C)N1CCCCC1CCO 2230a_100000211664_100000210206 [2,0,0,0,0,0|1,0,0]=3 866 B12R1.283 CC(C)N1CCCCC1CCO 269982a_100000211664_100000210206 [2,0,0,0,0,0|1,0,0]=3 867 B12R1.283 CC(C)N1CCCCC1CCO 34a_100000211664_100000210206 [2,0,0,0,0,0|1,0,0]=3 868 B12R1.283 CC(C)[C@H]1COCCN1CCO 2230a_100025712635_100000211926 [2,0,0,0,0,0|2,0,0]=4 869 B12R1.283 CC(C)[C@H]1COCCN1CCO 269982a_100025712635_100000211926 [2,0,0,0,0,0|2,0,0]=4 870 B12R1.283 CC(C)[C@H]1COCCN1CCO 34a_100025712635_100000211926 [2,0,0,0,0,0|2,0,0]=4 871 B12R1.283 CCCC1CCCCC1N(C)C 270004a_100102631434_100011218038 [2,0,0,0,0,0|2,0,0]=4 872 B12R1.283 CCCC1CCCCN1C(C)C 2230a_100000701414_100000210206 [2,0,0,0,0,0|2,0,0]=4 873 B12R1.283 CCCC1CCCCN1C(C)C 269982a_100000701414_100000210206 [2,0,0,0,0,0|2,0,0]=4 874 B12R1.283 CCCC1CCCCN1C(C)C 34a_100000701414_100000210206 [2,0,0,0,0,0|2,0,0]=4 875 B12R1.283 CCCN1CCCCC1C(C)C 2230a_100000757267_100000210303 [2,0,0,0,0,0|2,0,0]=4 876 B12R1.283 CCCN1CCCCC1C(C)C 269982a_100000757267_100000210303 [2,0,0,0,0,0|2,0,0]=4 877 B12R1.283 CCCN1CCCCC1C(C)C 34a_100000757267_100000210303 [2,0,0,0,0,0|2,0,0]=4 878 B12R1.283 CCOC1CCCCC1C(C)C 34a_100011709184_100000210202 [2,0,0,0,0,0|0,0,0]=2 879 B12R1.283 CCOC1CCCCC1C(C)C 7a_100011709184_100000210202 [2,0,0,0,0,0|0,0,0]=2 880 B12R1.283 CCOC1CCCCC1N(C)C 270004a_100102631434_200000031474 [2,0,0,0,0,0|1,0,0]=3 881 B12R1.121 C#CCOC1CCCCC1CC 34a_100000210738_100000184674 [2,0,0,0,0,0|1,0,1]=4 882 B12R1.121 C#CCOC1CCCCC1CC 7a_100000210738_100000038162 [2,0,0,0,0,0|1,0,1]=4 883 B12R1.121 C=CCOC1CCCCC1CC 34a_100000210738_100015514636 [2,0,0,0,0,0|1,0,1]=4 884 B12R1.121 C=CCOC1CCCCC1CC 7a_100000210738_100015514636 [2,0,0,0,0,0|1,0,1]=4 885 B12R1.121 CCC1CCCCC1NCCF 269862a_100000724931_100000757040 [2,0,0,0,0,0|2,0,0]=4 886 B12R1.121 CCC1CCCCC1NCCO 269862a_100000210304_100000757040 [2,0,0,0,0,0|1,0,0]=3 887 B12R1.121 CCC1CCCCC1NCCO 270004a_100000210304_100000757040 [2,0,0,0,0,0|1,0,0]=3 888 B12R1.121 CCC1CCCCC1OCC#N 7a_100000210738_100011215382 [2,0,0,0,0,0|1,0,1]=4 889 B12R1.121 CCC1CCCCC1OCC=O 34a_100000210738_200009817547 [2,0,0,0,0,0|0,0,2]=4 890 B12R1.121 CCC1CCCCC1OCC=O 7a_100000210738_200015260668 [2,0,0,0,0,0|0,0,2]=4 891 B12R1.121 CCC1CCCCC1OCCF 34a_100000210738_100011217306 [2,0,0,0,0,0|1,0,0]=3 892 B12R1.121 CCC1CCCCC1OCCF 7a_100000210738_100011217306 [2,0,0,0,0,0|1,0,0]=3 893 B12R1.121 CCC1CCCCC1OCCO 34a_100000210738_100000211926 [2,0,0,0,0,0|0,0,0]=2 894 B12R1.121 CCC1CCCCC1OCCO 7a_100000210738_100000211926 [2,0,0,0,0,0|0,0,0]=2 895 B12R1.121 CCC1CCCCC1OCSC 34a_100000210738_100011218213 [2,0,0,0,0,0|2,0,0]=4 896 B12R1.121 CCC1CCCCN1CCCO 2230a_100000210034_100000230001 [2,0,0,0,0,0|2,0,0]=4 897 B12R1.121 CCC1CCCCN1CCCO 269982a_100000210034_100011215043 [2,0,0,0,0,0|2,0,0]=4 898 B12R1.121 CCC1CCCCN1CCCO 34a_100000210034_100000230001 [2,0,0,0,0,0|2,0,0]=4 899 B12R1.121 CCCNC1CCCCC1CC 269862a_100020643023_100000757040 [2,0,0,0,0,0|2,0,0]=4 900 B12R1.121 CCCNC1CCCCC1CC 270004a_100020643023_100000757040 [2,0,0,0,0,0|2,0,0]=4 901 B12R1.121 CCCOC1CCCCC1CC 34a_100000210738_100000210303 [2,0,0,0,0,0|1,0,0]=3 902 B12R1.121 CCCOC1CCCCC1CC 7a_100000210738_100000210303 [2,0,0,0,0,0|1,0,0]=3 903 B12R1.121 CCCOC1CCCCC1CN 34a_100011216029_100000210303 [2,0,0,0,0,0|2,0,0]=4 904 B12R1.121 CCCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000210303 [2,0,0,0,0,0|2,0,0]=4 905 B12R1.121 CCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000210303 [2,0,0,0,0,0|2,0,0]=4 906 B12R1.121 CCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000210303 [2,0,0,0,0,0|2,0,0]=4 907 B12R1.121 CCN1CCCCC1CCCO 2230a_100011934581_100000210202 [2,0,0,0,0,0|2,0,0]=4 908 B12R1.121 CCN1CCCCC1CCCO 269982a_100011934581_100000204670 [2,0,0,0,0,0|2,0,0]=4 909 B12R1.121 CCN1CCCCC1CCCO 34a_100011934581_100000210202 [2,0,0,0,0,0|2,0,0]=4 910 B12R1.121 CN[C@@H]1CCCC[C@H]1OCCF 34a_100000708425_100011217306 [2,0,0,0,0,0|2,0,0]=4 911 B12R1.121 CN[C@@H]1CCCC[C@H]1OCCO 34a_100000708425_100000211926 [2,0,0,0,0,0|1,0,0]=3 912 B12R1.121 COC1CCCCC1NCCO 270004a_100000210304_100000740605 [2,0,0,0,0,0|2,0,0]=4 913 B12R1.121 COC1CCCCC1NCCO 34a_100011208099_100000211926 [2,0,0,0,0,0|2,0,0]=4 914 B12R1.121 CO[C@H]1CCCC[C@@H]1OCCF 34a_200009815850_100011217306 [2,0,0,0,0,0|2,0,0]=4 915 B12R1.121 CO[C@H]1CCCC[C@@H]1OCCF 7a_200009815850_100011217306 [2,0,0,0,0,0|2,0,0]=4 916 B12R1.121 CO[C@H]1CCCC[C@@H]1OCCO 34a_200009815850_100000211926 [2,0,0,0,0,0|1,0,0]=3 917 B12R1.121 CO[C@H]1CCCC[C@@H]1OCCO 7a_200009815850_100000211926 [2,0,0,0,0,0|1,0,0]=3 918 B12R1.121 NCC1CCCCC1OCCF 34a_100011216029_100011217306 [2,0,0,0,0,0|2,0,0]=4 919 B12R1.121 NCC1CCCCC1OCCO 34a_100011216029_100000211926 [2,0,0,0,0,0|1,0,0]=3 920 B12R1.121 OCCNC1CCCCC1CO 270004a_100000210304_100009861125 [2,0,0,0,0,0|2,0,0]=4 921 B12R1.374 C#CCOC1CC(CCC1C)C 34a_100011217446_100000184674 [2,0,0,0,0,0|1,0,1]=4 922 B12R1.374 C#CCOC1CC(CCC1C)C 7a_100011217446_100000038162 [2,0,0,0,0,0|1,0,1]=4 923 B12R1.374 C=CCOC1CC(CCC1C)C 34a_100011217446_100015514636 [2,0,0,0,0,0|1,0,1]=4 924 B12R1.374 C=CCOC1CC(CCC1C)C 7a_100011217446_100015514636 [2,0,0,0,0,0|1,0,1]=4 925 B12R1.374 CC1CCC(C(C1)NCCF)C 269862a_100000724931_100000034887 [2,0,0,0,0,0|2,0,0]=4 926 B12R1.374 CC1CCC(C(C1)NCCO)C 269862a_100000210304_100000034887 [2,0,0,0,0,0|1,0,0]=3 927 B12R1.374 CC1CCC(C(C1)NCCO)C 270004a_100000210304_100000034887 [2,0,0,0,0,0|1,0,0]=3 928 B12R1.374 CC1CCC(C(C1)OCC#N)C 7a_100011217446_100011215382 [2,0,0,0,0,0|1,0,1]=4 929 B12R1.374 CC1CCC(C(C1)OCC=O)C 34a_100011217446_200009817547 [2,0,0,0,0,0|0,0,2]=4 930 B12R1.374 CC1CCC(C(C1)OCC=O)C 7a_100011217446_200015260668 [2,0,0,0,0,0|0,0,2]=4 931 B12R1.374 CC1CCC(C(C1)OCCF)C 34a_100011217446_100011217306 [2,0,0,0,0,0|1,0,0]=3 932 B12R1.374 CC1CCC(C(C1)OCCF)C 7a_100011217446_100011217306 [2,0,0,0,0,0|1,0,0]=3 933 B12R1.374 CC1CCC(C(C1)OCCO)C 34a_100011217446_100000211926 [2,0,0,0,0,0|0,0,0]=2 934 B12R1.374 CC1CCC(C(C1)OCCO)C 7a_100011217446_100000211926 [2,0,0,0,0,0|0,0,0]=2 935 B12R1.374 CCCNC1CC(CCC1C)C 269862a_100020643023_100000034887 [2,0,0,0,0,0|2,0,0]=4 936 B12R1.374 CCCNC1CC(CCC1C)C 270004a_100020643023_100000034887 [2,0,0,0,0,0|2,0,0]=4 937 B12R1.374 CCCOC1CC(CCC1C)C 34a_100011217446_100000210303 [2,0,0,0,0,0|1,0,0]=3 938 B12R1.374 CCCOC1CC(CCC1C)C 7a_100011217446_100000210303 [2,0,0,0,0,0|1,0,0]=3 939 B12R1.374 CSCOC1CC(CCC1C)C 34a_100011217446_100011218213 [2,0,0,0,0,0|2,0,0]=4 940 B14R0.2 C#CCCNCCC(C)CCCC(C)C 2230a_102516457229_100000688953 [0,1,1,0,0,0|2,0,0]=4 941 B14R0.2 C#CCCNCCC(C)CCCC(C)C 34a_100000755551_100009816328 [0,1,1,0,0,0|2,0,0]=4 942 B14R0.2 C#CCCOCCC(C)CCCC(C)C 34a_100000015991_100000688953 [0,1,1,0,0,0|1,0,0]=3 943 B14R0.2 C#CCCOCCC(C)CCCC(C)C 34a_100011215631_100009816328 [0,1,1,0,0,0|1,0,0]=3 944 B14R0.2 C#CCCOCCC(C)CCCC(C)C 7a_100000015991_100000688953 [0,1,1,0,0,0|1,0,0]=3 945 B14R0.2 C#CCCSCCC(C)CCCC(C)C 62a_100000688953_100009816328 [0,1,1,0,0,0|1,1,0]=4 946 B14R0.2 C#CCCSCCC(C)CCCC(C)C 62a_100009816328_100000688953 [0,1,1,0,0,0|1,1,0]=4 947 B14R0.2 C#CCOCCNC(C)CCCC(C)C 2230a_100000210607_100010402529 [0,1,1,0,0,0|1,0,1]=4 948 B14R0.2 C#CCOCCOC(C)CCCC(C)C 34a_200011218570_100010402529 [0,1,1,0,0,0|1,0,1]=4 949 B14R0.2 C#CCOCCOC(C)CCCC(C)C 7a_200011218570_100010402529 [0,1,1,0,0,0|1,0,1]=4 950 B14R0.2 C/C=C/COCCC(C)CCCC(C)C 34a_100000015991_100102629194 [0,1,1,0,0,0|1,0,1]=4 951 B14R0.2 C/C=C/COCCC(C)CCCC(C)C 34a_100016270725_100009816328 [0,1,1,0,0,0|1,0,1]=4 952 B14R0.2 C/C=C/COCCC(C)CCCC(C)C 7a_100000015991_100102629194 [0,1,1,0,0,0|1,0,1]=4 953 B14R0.2 C=CCCNCCC(C)CCCC(C)C 2230a_100015191253_100009816328 [0,1,1,0,0,0|2,0,0]=4 954 B14R0.2 C=CCCNCCC(C)CCCC(C)C 2230a_102516457229_100000754431 [0,1,1,0,0,0|2,0,0]=4 955 B14R0.2 C=CCCOCCC(C)CCCC(C)C 34a_100000015991_100000754431 [0,1,1,0,0,0|1,0,0]=3 956 B14R0.2 C=CCCOCCC(C)CCCC(C)C 34a_100011205117_100009816328 [0,1,1,0,0,0|1,0,0]=3 957 B14R0.2 C=CCCOCCC(C)CCCC(C)C 7a_100000015991_100000754431 [0,1,1,0,0,0|1,0,0]=3 958 B14R0.2 C=CCCSCCC(C)CCCC(C)C 62a_100000754431_100009816328 [0,1,1,0,0,0|1,1,0]=4 959 B14R0.2 C=CCCSCCC(C)CCCC(C)C 62a_100009816328_100000754431 [0,1,1,0,0,0|1,1,0]=4 960 B14R0.2 CC#CCOCCC(C)CCCC(C)C 34a_100000015991_100000748600 [0,1,1,0,0,0|1,0,1]=4 961 B14R0.2 CC#CCOCCC(C)CCCC(C)C 34a_100000761923_100009816328 [0,1,1,0,0,0|1,0,1]=4 962 B14R0.2 CC#CCOCCC(C)CCCC(C)C 7a_100000015991_100000748600 [0,1,1,0,0,0|1,0,1]=4 963 B14R0.2 CC(=CCCC(C)CCOCCCO)C 34a_100000017536_100000230001 [0,1,1,0,0,0|0,0,2]=4 964 B14R0.2 CC(=CCCC(C)CCOCCCO)C 7a_100000017536_100011215043 [0,1,1,0,0,0|0,0,2]=4 965 B14R0.2 CC(=CCCC(C)CCOCCON)C 34a_100000700252_100009814015 [0,1,1,0,0,0|0,0,2]=4 966 B14R0.2 CC(=CCCC(C)NCCOCCO)C 270004a_100000211614_100000765506 [0,1,1,0,0,0|0,0,2]=4 967 B14R0.2 CC(=CCCC(C)OCCOCCO)C 34a_100102619829_100000692535 [0,1,1,0,0,0|0,0,2]=4 968 B14R0.2 CC(=CCCC(C)OCCOCCO)C 7a_100102619829_100011215305 [0,1,1,0,0,0|0,0,2]=4 969 B14R0.2 CC(C)CCCC(=O)NCCOCCO 240690a_100000211614_100011216857 [0,1,1,0,0,0|1,0,1]=4 970 B14R0.2 CC(C)CCCC(C)CCNCCC#N 2230a_102516457229_100011215226 [0,1,1,0,0,0|2,0,0]=4 971 B14R0.2 CC(C)CCCC(C)CCNCCCF 2230a_100015189416_100009816328 [0,1,1,0,0,0|2,0,0]=4 972 B14R0.2 CC(C)CCCC(C)CCNCCCF 2230a_102516457229_100011934791 [0,1,1,0,0,0|2,0,0]=4 973 B14R0.2 CC(C)CCCC(C)CCNCCCF 34a_100015189416_100009816328 [0,1,1,0,0,0|2,0,0]=4 974 B14R0.2 CC(C)CCCC(C)CCNCCCO 2230a_102516457229_100000230001 [0,1,1,0,0,0|1,0,0]=3 975 B14R0.2 CC(C)CCCC(C)CCOCCC#N 7a_100000015991_100000184422 [0,1,1,0,0,0|1,0,0]=3 976 B14R0.2 CC(C)CCCC(C)CCOCCCBr 34a_100011217188_100009816328 [0,1,1,0,0,0|1,0,0]=3 977 B14R0.2 CC(C)CCCC(C)CCOCCCCl 34a_100000230001_100009816328 [0,1,1,0,0,0|1,0,0]=3 978 B14R0.2 CC(C)CCCC(C)CCOCCCF 34a_100000015991_100011934791 [0,1,1,0,0,0|1,0,0]=3 979 B14R0.2 CC(C)CCCC(C)CCOCCCF 34a_100000759539_100009816328 [0,1,1,0,0,0|1,0,0]=3 980 B14R0.2 CC(C)CCCC(C)CCOCCCF 7a_100000015991_100011934791 [0,1,1,0,0,0|1,0,0]=3 981 B14R0.2 CC(C)CCCC(C)CCOCCCN 34a_100000182051_100009816328 [0,1,1,0,0,0|1,0,0]=3 982 B14R0.2 CC(C)CCCC(C)CCOCCCO 34a_100000015991_100000230001 [0,1,1,0,0,0|0,0,0]=2 983 B14R0.2 CC(C)CCCC(C)CCOCCCO 7a_100000015991_100011215043 [0,1,1,0,0,0|0,0,0]=2 984 B14R0.2 CC(C)CCCC(C)CCOCCON 34a_100000700252_100009816328 [0,1,1,0,0,0|0,0,0]=2 985 B14R0.2 CC(C)CCCC(C)CCSCCC#N 62a_100009816328_100011215226 [0,1,1,0,0,0|1,1,0]=4 986 B14R0.2 CC(C)CCCC(C)CCSCCC#N 62a_100011215226_100009816328 [0,1,1,0,0,0|1,1,0]=4 987 B14R0.2 CC(C)CCCC(C)CCSCCCF 62a_100009816328_100011934791 [0,1,1,0,0,0|1,1,0]=4 988 B14R0.2 CC(C)CCCC(C)CCSCCCF 62a_100011934791_100009816328 [0,1,1,0,0,0|1,1,0]=4 989 B14R0.2 CC(C)CCCC(C)CCSCCCO 62a_100009816328_100011215043 [0,1,1,0,0,0|0,1,0]=3 990 B14R0.2 CC(C)CCCC(C)CCSCCCO 62a_100011215043_100009816328 [0,1,1,0,0,0|0,1,0]=3 991 B14R0.2 CC(C)CCCC(C)NCCCCCF 2230a_100000210607_100000729378 [0,1,1,0,0,0|2,0,0]=4 992 B14R0.2 CC(C)CCCC(C)NCCCCCO 2230a_100000210607_100000746330 [0,1,1,0,0,0|1,0,0]=3 993 B14R0.2 CC(C)CCCC(C)NCCCCCO 270004a_100000762737_100000753411 [0,1,1,0,0,0|1,0,0]=3 994 B14R0.2 CC(C)CCCC(C)NCCOCC#N 2230a_100000210607_200000047693 [0,1,1,0,0,0|1,0,1]=4 995 B14R0.2 CC(C)CCCC(C)NCCOCCO 2230a_100000210607_100011215305 [0,1,1,0,0,0|0,0,0]=2 996 B14R0.2 CC(C)CCCC(C)NCCOCCO 270004a_100000211614_100000753411 [0,1,1,0,0,0|0,0,0]=2 997 B14R0.2 CC(C)CCCC(C)NCCSCCO 270004a_100011219999_100000753411 [0,1,1,0,0,0|0,1,0]=3 998 B14R0.2 CC(C)CCCC(C)OCCCCCF 34a_200011218570_100000729378 [0,1,1,0,0,0|2,0,0]=4 999 B14R0.2 CC(C)CCCC(C)OCCCCCF 7a_200011218570_100000729378 [0,1,1,0,0,0|2,0,0]=4 1000 B14R0.2 CC(C)CCCC(C)OCCCCCO 34a_200011218570_100000746330 [0,1,1,0,0,0|1,0,0]=3 1001 B14R0.2 CC(C)CCCC(C)OCCCCCO 7a_200011218570_100000746330 [0,1,1,0,0,0|1,0,0]=3 1002 B14R0.2 CC(C)CCCC(C)OCCOCC#N 7a_200011218570_200000047693 [0,1,1,0,0,0|1,0,1]=4 1003 B14R0.2 CC(C)CCCC(C)OCCOCCO 34a_200011218570_100000692535 [0,1,1,0,0,0|0,0,0]=2 1004 B14R0.2 CC(C)CCCC(C)OCCOCCO 7a_200011218570_100011215305 [0,1,1,0,0,0|0,0,0]=2 1005 B14R0.2 CC(CCOC(C)C)NCCCCCO 270004a_100000762737_200011219172 [0,1,1,0,0,0|2,0,0]=4 1006 B14R0.2 CC(CCOC(C)C)NCCOCCO 270004a_100000211614_200011219172 [0,1,1,0,0,0|1,0,0]=3 1007 B14R0.2 CC(CCOC(C)C)NCCSCCO 270004a_100011219999_200011219172 [0,1,1,0,0,0|1,1,0]=4 1008 B14R0.2 CC=CCOCCC(C)CCCC(C)C 34a_100000015991_100000070051 [0,1,1,0,0,0|1,0,1]=4 1009 B14R0.2 CC=CCOCCC(C)CCCC(C)C 7a_100000015991_100000070051 [0,1,1,0,0,0|1,0,1]=4 1010 B14R0.2 CCCCCCNC(C)CCCC(C)C 2230a_100000210607_100000210314 [0,1,1,0,0,0|2,0,0]=4 1011 B14R0.2 CCCCCCNC(C)CCCC(C)C 270004a_100000210581_100000753411 [0,1,1,0,0,0|2,0,0]=4 1012 B14R0.2 CCCCCCOC(C)CCCC(C)C 34a_200011218570_100000210314 [0,1,1,0,0,0|2,0,0]=4 1013 B14R0.2 CCCCCCOC(C)CCCC(C)C 7a_200011218570_100000210314 [0,1,1,0,0,0|2,0,0]=4 1014 B14R0.2 CCCCNCCC(C)CCCC(C)C 2230a_100000102301_100009816328 [0,1,1,0,0,0|2,0,0]=4 1015 B14R0.2 CCCCNCCC(C)CCCC(C)C 2230a_102516457229_100000210211 [0,1,1,0,0,0|2,0,0]=4 1016 B14R0.2 CCCCNCCC(C)CCCC(C)C 7a_106832991798_100009816328 [0,1,1,0,0,0|2,0,0]=4 1017 B14R0.2 CCCCOCCC(C)CCCC(C)C 34a_100000015991_100000210210 [0,1,1,0,0,0|1,0,0]=3 1018 B14R0.2 CCCCOCCC(C)CCCC(C)C 34a_100000210227_100009816328 [0,1,1,0,0,0|1,0,0]=3 1019 B14R0.2 CCCCOCCC(C)CCCC(C)C 7a_100000015991_100000210211 [0,1,1,0,0,0|1,0,0]=3 1020 B14R0.2 CCCCOCCC(C)CCCC(C)C 7a_100000210227_100009816328 [0,1,1,0,0,0|1,0,0]=3 1021 B14R0.2 CCCCOCNC(C)CCCC(C)C 2230a_100000210607_100011995733 [0,1,1,0,0,0|2,0,0]=4 1022 B14R0.2 CCCCOCOC(C)CCCC(C)C 34a_200011218570_100011995733 [0,1,1,0,0,0|2,0,0]=4 1023 B14R0.2 CCCCSCCC(C)CCCC(C)C 62a_100000210211_100009816328 [0,1,1,0,0,0|1,1,0]=4 1024 B14R0.2 CCCCSCCC(C)CCCC(C)C 62a_100009816328_100000210210 [0,1,1,0,0,0|1,1,0]=4 1025 B14R0.2 CCCOCCNC(C)CCCC(C)C 2230a_100000210607_100011215938 [0,1,1,0,0,0|1,0,0]=3 1026 B14R0.2 CCCOCCNC(C)CCCC(C)C 270004a_100161115042_100000753411 [0,1,1,0,0,0|1,0,0]=3 1027 B14R0.2 CCCOCCNC(C)CCOC(C)C 270004a_100161115042_200011219172 [0,1,1,0,0,0|2,0,0]=4 1028 B14R0.2 CCCOCCOC(C)CCCC(C)C 34a_200011218570_100011215938 [0,1,1,0,0,0|1,0,0]=3 1029 B14R0.2 CCCOCCOC(C)CCCC(C)C 7a_200011218570_100011215938 [0,1,1,0,0,0|1,0,0]=3 1030 B14R0.2 CCCSCCNC(C)CCCC(C)C 270004a_100020603323_100000753411 [0,1,1,0,0,0|1,1,0]=4 1031 B14R0.2 CCOCSCCC(C)CCCC(C)C 62a_100000739092_100009816328 [0,1,1,0,0,0|1,1,0]=4 1032 B14R0.2 CCOCSCCC(C)CCCC(C)C 62a_100009816328_100000739092 [0,1,1,0,0,0|1,1,0]=4 1033 B14R0.2 COCCCCNC(C)CCCC(C)C 2230a_100000210607_100000730899 [0,1,1,0,0,0|2,0,0]=4 1034 B14R0.2 COCCCCOC(C)CCCC(C)C 34a_200011218570_100000755781 [0,1,1,0,0,0|2,0,0]=4 1035 B14R0.2 COCCCCOC(C)CCCC(C)C 7a_200011218570_100000730899 [0,1,1,0,0,0|2,0,0]=4 1036 B14R0.2 COCCNCCC(C)CCCC(C)C 2230a_100000209980_100009816328 [0,1,1,0,0,0|1,0,0]=3 1037 B14R0.2 COCCNCCC(C)CCCC(C)C 2230a_102516457229_100011201679 [0,1,1,0,0,0|1,0,0]=3 1038 B14R0.2 COCCOCCC(=O)CCCC(C)C 1458a_100000745395_100011214892 [0,1,1,0,0,0|1,0,1]=4 1039 B14R0.2 COCCOCCC(=O)CCCC(C)C 1458a_100011216857_100000695917 [0,1,1,0,0,0|1,0,1]=4 1040 B14R0.2 COCCOCCC(C)CCC=C(C)C 34a_100000017536_100011201679 [0,1,1,0,0,0|0,0,2]=4 1041 B14R0.2 COCCOCCC(C)CCC=C(C)C 34a_100000210237_100009814015 [0,1,1,0,0,0|0,0,2]=4 1042 B14R0.2 COCCOCCC(C)CCC=C(C)C 7a_100000017536_100000233755 [0,1,1,0,0,0|0,0,2]=4 1043 B14R0.2 COCCOCCC(C)CCCC(C)C 34a_100000015991_100011201679 [0,1,1,0,0,0|0,0,0]=2 1044 B14R0.2 COCCOCCC(C)CCCC(C)C 34a_100000210237_100009816328 [0,1,1,0,0,0|0,0,0]=2 1045 B14R0.2 COCCOCCC(C)CCCC(C)C 7a_100000015991_100000233755 [0,1,1,0,0,0|0,0,0]=2 1046 B14R0.2 COCCOCCN(C)CCCN(C)C 269982a_100000225831_100000695917 [0,1,1,0,0,0|2,0,0]=4 1047 B14R0.2 COCCOCNC(C)CCCC(C)C 2230a_100000210607_100000231047 [0,1,1,0,0,0|1,0,0]=3 1048 B14R0.2 COCCSCCC(C)CCCC(C)C 62a_100000233755_100009816328 [0,1,1,0,0,0|0,1,0]=3 1049 B14R0.2 COCCSCCC(C)CCCC(C)C 62a_100009816328_100000233755 [0,1,1,0,0,0|0,1,0]=3 1050 B14R0.2 CSCCNCCC(C)CCCC(C)C 2230a_100020590264_100009816328 [0,1,1,0,0,0|1,1,0]=4 1051 B14R0.2 CSCCNCCC(C)CCCC(C)C 2230a_102516457229_100000751147 [0,1,1,0,0,0|1,1,0]=4 1052 B14R0.2 CSCCOCCC(C)CCCC(C)C 34a_100000015991_100000212216 [0,1,1,0,0,0|0,1,0]=3 1053 B14R0.2 CSCCOCCC(C)CCCC(C)C 34a_100000230434_100009816328 [0,1,1,0,0,0|0,1,0]=3 1054 B14R0.2 CSCCOCCC(C)CCCC(C)C 7a_100000015991_100000212216 [0,1,1,0,0,0|0,1,0]=3 1055 B14R0.2 CSCCOCCC(C)CCCC(C)C 7a_100000230434_100009816328 [0,1,1,0,0,0|0,1,0]=3 1056 B14R0.2 CSCCSCCC(C)CCCC(C)C 62a_100000212216_100009816328 [0,1,1,0,0,0|0,2,0]=4 1057 B14R0.2 CSCCSCCC(C)CCCC(C)C 62a_100009816328_100000751147 [0,1,1,0,0,0|0,2,0]=4 1058 B14R0.12 CCN(C)CCCN(C)CCOCCO 2230a_100000228057_100015186262 [0,1,1,0,0,0|2,0,0]=4 1059 B14R0.12 CCN(C)CCCN(C)CCOCCO 269982a_100000228057_100015186262 [0,1,1,0,0,0|2,0,0]=4 1060 B14R0.67 C=C(C)COCCC(C)CCCC(C)C 34a_100000015991_100000748629 [0,1,1,0,0,0|1,0,1]=4 1061 B14R0.67 C=C(C)COCCC(C)CCCC(C)C 34a_100000210245_100009816328 [0,1,1,0,0,0|1,0,1]=4 1062 B14R0.67 C=C(C)COCCC(C)CCCC(C)C 7a_100000015991_100000748629 [0,1,1,0,0,0|1,0,1]=4 1063 B14R0.67 C=C(F)COCCC(C)CCCC(C)C 34a_100000015991_100009893438 [0,1,1,0,0,0|1,0,1]=4 1064 B14R0.67 C=C(F)COCCC(C)CCCC(C)C 34a_200010262243_100009816328 [0,1,1,0,0,0|1,0,1]=4 1065 B14R0.67 C=C(F)COCCC(C)CCCC(C)C 7a_100000015991_100000042424 [0,1,1,0,0,0|1,0,1]=4 1066 B14R0.67 CC(=CCCC(C)CCOCC(C)O)C 34a_100000017536_100011218427 [0,1,1,0,0,0|0,0,2]=4 1067 B14R0.67 CC(=CCCC(C)CCOCC(C)O)C 7a_100000017536_100011218427 [0,1,1,0,0,0|0,0,2]=4 1068 B14R0.67 CC(=CCCC(C)CCOC[C@@H](C)O)C 34a_100000017536_100009817552 [0,1,1,0,0,0|0,0,2]=4 1069 B14R0.67 CC(=CCCC(C)CCOC[C@@H](C)O)C 7a_100000017536_100009817552 [0,1,1,0,0,0|0,0,2]=4 1070 B14R0.67 CC(=O)COCCC(C)CCCC(C)C 34a_100000211253_100009816328 [0,1,1,0,0,0|0,0,2]=4 1071 B14R0.67 CC(C)CCCC(C)CCNCC(=O)O 269956a_100016091260_100009816328 [0,1,1,0,0,0|1,0,1]=4 1072 B14R0.67 CC(C)CCCC(C)CCNCC(C)C 2230a_100000210953_100009816328 [0,1,1,0,0,0|2,0,0]=4 1073 B14R0.67 CC(C)CCCC(C)CCNCC(C)C 2230a_102516457229_100000210760 [0,1,1,0,0,0|2,0,0]=4 1074 B14R0.67 CC(C)CCCC(C)CCNCC(C)C 270004a_102516457229_100000210432 [0,1,1,0,0,0|2,0,0]=4 1075 B14R0.67 CC(C)CCCC(C)CCNCC(C)C 34a_100000210953_100009816328 [0,1,1,0,0,0|2,0,0]=4 1076 B14R0.67 CC(C)CCCC(C)CCNCC(C)O 2230a_100000210904_100009816328 [0,1,1,0,0,0|1,0,0]=3 1077 B14R0.67 CC(C)CCCC(C)CCNCC(C)O 2230a_102516457229_100011218427 [0,1,1,0,0,0|1,0,0]=3 1078 B14R0.67 CC(C)CCCC(C)CCNCC(C)O 34a_100000210904_100009816328 [0,1,1,0,0,0|1,0,0]=3 1079 B14R0.67 CC(C)CCCC(C)CCNCC(F)F 2230a_102516457229_100011934356 [0,1,1,0,0,0|2,0,0]=4 1080 B14R0.67 CC(C)CCCC(C)CCNCC(F)F 34a_100000765723_100009816328 [0,1,1,0,0,0|2,0,0]=4 1081 B14R0.67 CC(C)CCCC(C)CCNC[C@@H](C)O 2230a_102516457229_100009817552 [0,1,1,0,0,0|1,0,0]=3 1082 B14R0.67 CC(C)CCCC(C)CCOCC(=O)N 34a_100000015991_100000187820 [0,1,1,0,0,0|0,0,2]=4 1083 B14R0.67 CC(C)CCCC(C)CCOCC(=O)N 7a_100000015991_100000187820 [0,1,1,0,0,0|0,0,2]=4 1084 B14R0.67 CC(C)CCCC(C)CCOCC(=O)[O-] 34a_100000015991_100020667443 [0,1,1,0,0,0|0,0,2]=4 1085 B14R0.67 CC(C)CCCC(C)CCOCC(C)Br 34a_100012180447_100009816328 [0,1,1,0,0,0|1,0,0]=3 1086 B14R0.67 CC(C)CCCC(C)CCOCC(C)C 34a_100000015991_100000210624 [0,1,1,0,0,0|1,0,0]=3 1087 B14R0.67 CC(C)CCCC(C)CCOCC(C)C 34a_100000210257_100009816328 [0,1,1,0,0,0|1,0,0]=3 1088 B14R0.67 CC(C)CCCC(C)CCOCC(C)C 7a_100000015991_100000210760 [0,1,1,0,0,0|1,0,0]=3 1089 B14R0.67 CC(C)CCCC(C)CCOCC(C)F 34a_100015925927_100009816328 [0,1,1,0,0,0|1,0,0]=3 1090 B14R0.67 CC(C)CCCC(C)CCOCC(C)O 34a_100000015991_100011218427 [0,1,1,0,0,0|0,0,0]=2 1091 B14R0.67 CC(C)CCCC(C)CCOCC(C)O 7a_100000015991_100011218427 [0,1,1,0,0,0|0,0,0]=2 1092 B14R0.67 CC(C)CCCC(C)CCOCC(F)F 34a_100000015991_100011934356 [0,1,1,0,0,0|1,0,0]=3 1093 B14R0.67 CC(C)CCCC(C)CCOCC(F)F 34a_100000743014_100009816328 [0,1,1,0,0,0|1,0,0]=3 1094 B14R0.67 CC(C)CCCC(C)CCOCC(F)F 7a_100000015991_100011934356 [0,1,1,0,0,0|1,0,0]=3 1095 B14R0.67 CC(C)CCCC(C)CCOC[C@@H](C)Cl 34a_100016084084_100009816328 [0,1,1,0,0,0|1,0,0]=3 1096 B14R0.67 CC(C)CCCC(C)CCOC[C@@H](C)N 34a_100000737577_100009816328 [0,1,1,0,0,0|1,0,0]=3 1097 B14R0.67 CC(C)CCCC(C)CCOC[C@@H](C)O 34a_100000015991_100009817552 [0,1,1,0,0,0|0,0,0]=2 1098 B14R0.67 CC(C)CCCC(C)CCOC[C@@H](C)O 7a_100000015991_100009817552 [0,1,1,0,0,0|0,0,0]=2 1099 B14R0.67 CC(C)CCCC(C)CCOC[N+](=O)[O-] 34a_100000015991_100000761209 [0,1,1,0,0,0|1,0,1]=4 1100 B14R0.67 CC(C)CCCC(C)CCSCC(C)C 62a_100000210624_100009816328 [0,1,1,0,0,0|1,1,0]=4 1101 B14R0.67 CC(C)CCCC(C)CCSCC(C)C 62a_100009816328_100000210760 [0,1,1,0,0,0|1,1,0]=4 1102 B14R0.67 CC(C)CCCC(C)CCSCC(C)O 62a_100009816328_100011218427 [0,1,1,0,0,0|0,1,0]=3 1103 B14R0.67 CC(C)CCCC(C)CCSCC(C)O 62a_100011218427_100009816328 [0,1,1,0,0,0|0,1,0]=3 1104 B14R0.67 CC(C)CCCC(C)CCSCC(F)F 62a_100009816328_100011934356 [0,1,1,0,0,0|1,1,0]=4 1105 B14R0.67 CC(C)CCCC(C)CCSCC(F)F 62a_100011934356_100009816328 [0,1,1,0,0,0|1,1,0]=4 1106 B14R0.67 CC(C)CCCC(C)CCSC[C@@H](C)O 62a_100009816328_100009817552 [0,1,1,0,0,0|0,1,0]=3 1107 B14R0.67 CC(C)CCCC(C)CCSC[C@@H](C)O 62a_100009817552_100009816328 [0,1,1,0,0,0|0,1,0]=3 1108 B14R0.67 CC(C)CCCC(C)NCCCC(C)O 2230a_100000210607_200000718107 [0,1,1,0,0,0|2,0,0]=4 1109 B14R0.67 CC(C)CCCC(C)OCCCC(C)O 34a_200011218570_200000718107 [0,1,1,0,0,0|2,0,0]=4 1110 B14R0.67 CC(C)CCCC(C)OCCCC(C)O 7a_200011218570_200000718107 [0,1,1,0,0,0|2,0,0]=4 1111 B14R0.67 CC(C)CCNC(C)CCOCC(C)C 270004a_100000210545_200011216429 [0,1,1,0,0,0|2,0,0]=4 1112 B14R0.186 CC(C)CCCC(C)N(C)CCCCO 270004a_100000717598_100000753411 [0,1,1,0,0,0|2,0,0]=4 1113 B14R0.200 CN(CCCC(C)(C)O)CCOCCO 2230a_100000228057_100009888830 [0,1,1,0,0,0|1,0,0]=3 1114 B14R0.200 CN(CCCC(C)(C)O)CCOCCO 269982a_100000228057_100009888830 [0,1,1,0,0,0|1,0,0]=3 1115 B14R0.200 CN(CCCCCO)CCCC(C)(C)O 2230a_100000722520_100009888830 [0,1,1,0,0,0|2,0,0]=4 1116 B14R0.200 CN(CCCCCO)CCCC(C)(C)O 269982a_100000722520_100009888830 [0,1,1,0,0,0|2,0,0]=4 1117 B14R0.200 CN(CCC[N+](C)(C)C)CCOCCO 2230a_100000228057_100016990835 [0,1,1,0,0,0|2,0,0]=4 1118 B14R0.200 CN(CCC[N+](C)(C)C)CCOCCO 269982a_100000228057_100016990835 [0,1,1,0,0,0|2,0,0]=4 1119 B14R0.200 CN(CCC[Si](C)(C)C)CCOCCO 2230a_100000228057_100011219597 [0,1,1,0,0,0|1,1,0]=4 1120 B14R0.200 CN(CCC[Si](C)(C)C)CCOCCO 269982a_100000228057_100011219597 [0,1,1,0,0,0|1,1,0]=4 1121 B14R0.200 CN(CCOCCO)CCOC(C)(C)C 2230a_100000690421_100011215305 [0,1,1,0,0,0|2,0,0]=4 1122 B14R0.200 CN(CCOCCO)CCOC(C)(C)C 269982a_100000690421_100011215305 [0,1,1,0,0,0|2,0,0]=4 1123 B14R0.304 C#CC(C)OCCC(C)CCCC(C)C 34a_100000015991_200000035995 [0,1,1,0,0,0|1,0,1]=4 1124 B14R0.304 C#C[C@@H](C)OCCC(C)CCCC(C)C 34a_100009815206_100009816328 [0,1,1,0,0,0|1,0,1]=4 1125 B14R0.304 C#C[C@@H](C)OCCC(C)CCCC(C)C 7a_100009815206_100009816328 [0,1,1,0,0,0|1,0,1]=4 1126 B14R0.304 C=CC(C)OCCC(C)CCCC(C)C 34a_100000695699_100009816328 [0,1,1,0,0,0|1,0,1]=4 1127 B14R0.304 CC(=CCCC(C)CCOC(C)CO)C 34a_100000017536_100012180447 [0,1,1,0,0,0|0,0,2]=4 1128 B14R0.304 CC(=CCCC(C)CCOC(C)CO)C 7a_100000017536_100012180447 [0,1,1,0,0,0|0,0,2]=4 1129 B14R0.304 CC(C)CCCC(C)CCNC(=O)CO 240690a_102516457229_100000210174 [0,1,1,0,0,0|1,0,1]=4 1130 B14R0.304 CC(C)CCCC(C)CCNC(=O)CO 527a_102516457229_100000210174 [0,1,1,0,0,0|1,0,1]=4 1131 B14R0.304 CC(C)CCCC(C)CCNC(C)CO 2230a_102516457229_100012180447 [0,1,1,0,0,0|1,0,0]=3 1132 B14R0.304 CC(C)CCCC(C)CCN[C@H](C)CO 2230a_100000737577_100009816328 [0,1,1,0,0,0|1,0,0]=3 1133 B14R0.304 CC(C)CCCC(C)CCOC(C)C#N 34a_100011218135_100009816328 [0,1,1,0,0,0|1,0,1]=4 1134 B14R0.304 CC(C)CCCC(C)CCOC(C)C#N 7a_100000015991_100000703298 [0,1,1,0,0,0|1,0,1]=4 1135 B14R0.304 CC(C)CCCC(C)CCOC(C)CF 34a_100016041109_100009816328 [0,1,1,0,0,0|1,0,0]=3 1136 B14R0.304 CC(C)CCCC(C)CCOC(C)CF 7a_100016041109_100009816328 [0,1,1,0,0,0|1,0,0]=3 1137 B14R0.304 CC(C)CCCC(C)CCOC(C)CN 34a_100000210904_100009816328 [0,1,1,0,0,0|1,0,0]=3 1138 B14R0.304 CC(C)CCCC(C)CCOC(C)CO 34a_100000015991_100012180447 [0,1,1,0,0,0|0,0,0]=2 1139 B14R0.304 CC(C)CCCC(C)CCOC(C)CO 7a_100000015991_100012180447 [0,1,1,0,0,0|0,0,0]=2 1140 B14R0.304 CC(C)CCCC(C)CCSC(C)CO 62a_100012180447_100009816328 [0,1,1,0,0,0|0,1,0]=3 1141 B14R0.304 CC(C)CCCC(C)CCS[C@H](C)CO 62a_100009816328_100016084084 [0,1,1,0,0,0|0,1,0]=3 1142 B14R0.304 CC(C)CCCC(C)CCS[C@H](C)CO 62a_100016084084_100009816328 [0,1,1,0,0,0|0,1,0]=3 1143 B14R0.304 CC(C)CCCC(C)NCCC(C)CO 270004a_106354213184_100000753411 [0,1,1,0,0,0|2,0,0]=4 1144 B14R0.304 CCC(C)NCCC(C)CCCC(C)C 2230a_100000209981_100009816328 [0,1,1,0,0,0|2,0,0]=4 1145 B14R0.304 CCC(C)NCCC(C)CCCC(C)C 2230a_102516457229_100000758301 [0,1,1,0,0,0|2,0,0]=4 1146 B14R0.304 CCC(C)OCCC(C)CCCC(C)C 34a_100000015991_100011215416 [0,1,1,0,0,0|1,0,0]=3 1147 B14R0.304 CCC(C)OCCC(C)CCCC(C)C 7a_100000015991_100000758301 [0,1,1,0,0,0|1,0,0]=3 1148 B14R0.304 CCC(C)OCCC(C)CCCC(C)C 7a_100000210228_100009816328 [0,1,1,0,0,0|1,0,0]=3 1149 B14R0.304 CCC(C)SCCC(C)CCCC(C)C 62a_100000758301_100009816328 [0,1,1,0,0,0|1,1,0]=4 1150 B14R0.304 CCC(C)SCCC(C)CCCC(C)C 62a_100009816328_100000758301 [0,1,1,0,0,0|1,1,0]=4 1151 B14R0.343 CCN(CCCN(C)C)CCOCCO 269982a_100000225837_100011215305 [0,1,1,0,0,0|2,0,0]=4 1152 B14R0.389 CC(CN(C)C)CN(C)CCOCCO 2230a_100000228057_100015348159 [0,1,1,0,0,0|2,0,0]=4 1153 B14R0.389 CC(CN(C)C)CN(C)CCOCCO 269982a_100000228057_100015348159 [0,1,1,0,0,0|2,0,0]=4 1154 B14R0.431 CC(C)CCCC(C)CCC(=O)CCO 1458a_100011216618_100009816328 [0,1,1,0,0,0|1,0,0]=3 1155 B14R0.431 CC(C)CCCC(C)CCN(C)CCO 2230a_100000210263_100009816328 [0,1,1,0,0,0|1,0,0]=3 1156 B14R0.431 CC(C)CCCC(C)CCN(C)CCO 269982a_100000210263_100009816328 [0,1,1,0,0,0|1,0,0]=3 1157 B14R0.431 CCCC(=O)CCC(C)CCCC(C)C 1458a_100000211992_100009816328 [0,1,1,0,0,0|2,0,0]=4 1158 B14R0.431 CCCN(C)CCC(C)CCCC(C)C 2230a_100000747261_100009816328 [0,1,1,0,0,0|2,0,0]=4 1159 B14R0.431 CCCN(C)CCC(C)CCCC(C)C 269982a_100000747261_100009816328 [0,1,1,0,0,0|2,0,0]=4 1160 B14R0.511 CC(C)CCC(=O)N(C)CCOCCO 240690a_100000228057_100000181311 [0,1,1,0,0,0|1,0,1]=4 1161 B14R0.511 CC(C)CCC(C)C(=O)CCOCCO 1458a_100011229844_100011261404 [0,1,1,0,0,0|1,0,1]=4 1162 B14R0.511 CC(C)CCC(C)N(C)CCCCCO 2230a_100000722520_100011261404 [0,1,1,0,0,0|2,0,0]=4 1163 B14R0.511 CC(C)CCC(C)N(C)CCCCCO 269982a_100000722520_100011261404 [0,1,1,0,0,0|2,0,0]=4 1164 B14R0.511 CC(C)CCC(C)N(C)CCCCCO 270004a_100000722520_100000210476 [0,1,1,0,0,0|2,0,0]=4 1165 B14R0.511 CC(C)CCC(C)N(C)CCOCCO 2230a_100000228057_100011261404 [0,1,1,0,0,0|1,0,0]=3 1166 B14R0.511 CC(C)CCC(C)N(C)CCOCCO 269982a_100000228057_100011261404 [0,1,1,0,0,0|1,0,0]=3 1167 B14R0.511 CC(C)CCC(C)N(C)CCOCCO 270004a_100000228057_100000210476 [0,1,1,0,0,0|1,0,0]=3 1168 B14R0.2149 CC(C)CCCC(C)(C)OCCCCO 7a_100011215742_100000210776 [0,1,1,0,0,0|2,0,0]=4 1169 B14R0.961 CCCN(CC(O)CO)C(CC)C(C)C 270004a_200000156893_100000210600 [0,1,1,0,0,0|2,0,0]=4 1170 B14R0.2490 CCC(C(C)C)N(CCCO)CCCO 270004a_100000212923_100000210600 [0,1,1,0,0,0|2,0,0]=4 1171 B14R0.2448 CCC(C)CN(CCCO)CC(C)(C)C 2230a_100000752882_100000748023 [0,1,1,0,0,0|2,0,0]=4 1172 B14R0.2448 CCC(C)CN(CCCO)CC(C)(C)C 269982a_100000752882_100000748023 [0,1,1,0,0,0|2,0,0]=4 1173 B14R0.2448 CCC(C)CN(CCCO)CC(C)(C)C 270004a_100000752882_100000243153 [0,1,1,0,0,0|2,0,0]=4 1174 B14R0.2448 CC[C@H](C)CN(CCCO)CC(C)(C)C 2230a_100000752882_100009816398 [0,1,1,0,0,0|2,0,0]=4 1175 B14R0.2448 CC[C@H](C)CN(CCCO)CC(C)(C)C 269982a_100000752882_100009816398 [0,1,1,0,0,0|2,0,0]=4 1176 B14R0.187 CC(C)CCN(CCCCCO)C(C)C 2230a_100011629493_100000210312 [0,1,1,0,0,0|2,0,0]=4 1177 B14R0.187 CC(C)CCN(CCCCCO)C(C)C 269982a_100011629493_100000210312 [0,1,1,0,0,0|2,0,0]=4 1178 B14R0.187 CC(C)CCN(CCCCCO)C(C)C 34a_100011629493_100000210312 [0,1,1,0,0,0|2,0,0]=4 1179 B14R0.462 CC(C)N(CCCCO)CCC(C)(C)C 2230a_100011521146_100000755188 [0,1,1,0,0,0|2,0,0]=4 1180 B14R0.462 CC(C)N(CCCCO)CCC(C)(C)C 269982a_100011521146_100000755188 [0,1,1,0,0,0|2,0,0]=4 1181 B14R0.462 CC(C)N(CCCCO)CCC(C)(C)O 2230a_100011521146_100000702414 [0,1,1,0,0,0|2,0,0]=4 1182 B14R0.1362 CC(C)CC(C)N(CCCCO)C(C)C 2230a_100011521146_100000731052 [0,1,1,0,0,0|2,0,0]=4 1183 B14R0.1362 CC(C)CC(C)N(CCCCO)C(C)C 269982a_100011521146_100000731052 [0,1,1,0,0,0|2,0,0]=4 1184 B14R0.617 CCCCC(C(C)C)N(C)CC(O)CO 270004a_100011216503_200011215219 [0,1,1,0,0,0|2,0,0]=4 1185 B14R0.976 CCCCC(C(C)C)N(C)C(C)CCO 270004a_100000731037_200011215219 [0,1,1,0,0,0|2,0,0]=4 1186 B14R0.2420 CCCCC(C(C)C)N(C)CCCCO 270004a_100000717598_200011215219 [0,1,1,0,0,0|2,0,0]=4 1187 B14R0.2420 CCCCC(C(C)C)N(C)CCCOC 270004a_100000224831_200011215219 [0,1,1,0,0,0|2,0,0]=4 1188 B14R1.164 C=C(C)[C@@H]1CC[C@H](C[C@H]1OC(C)C)C 34a_100016197468_100000210206 [1,1,0,0,0,0|0,0,2]=4 1189 B14R1.164 C=C(C)[C@@H]1CC[C@H](C[C@H]1OC(C)C)C 7a_100016197468_100000210206 [1,1,0,0,0,0|0,0,2]=4 1190 B14R1.164 CC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 11a_100025773825_100015343762 [1,1,0,0,0,0|1,0,1]=4 1191 B14R1.164 CC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1626a_100025773825_100015343762 [1,1,0,0,0,0|1,0,1]=4 1192 B14R1.164 CC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 240690a_100025773825_100015343762 [1,1,0,0,0,0|1,0,1]=4 1193 B14R1.164 CC(C)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 2230a_100025773825_100000210206 [1,1,0,0,0,0|1,0,0]=3 1194 B14R1.164 CC(C)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 34a_100025773825_100000210206 [1,1,0,0,0,0|1,0,0]=3 1195 B14R1.164 CC(C)N[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100138425928_200009893639 [1,1,0,0,0,0|1,0,0]=3 1196 B14R1.164 CC(C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000212225_200009893639 [1,1,0,0,0,0|0,0,0]=2 1197 B14R1.164 CC(C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100000210206 [1,1,0,0,0,0|0,0,0]=2 1198 B14R1.164 CC(C)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100000210206 [1,1,0,0,0,0|0,0,0]=2 1199 B14R1.164 CC(C)S[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100000210206_200009893639 [1,1,0,0,0,0|0,1,0]=3 1200 B14R1.164 CC(C)S[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_100000210206 [1,1,0,0,0,0|0,1,0]=3 1201 B14R1.707 CC(C)[C@@H]1CC[C@H](C[C@H]1C(=O)CF)C 1458a_100009868045_100015361967 [1,1,0,0,0,0|1,0,1]=4 1202 B14R1.707 CC(C)[C@H]1CC[C@@H](C[C@@H]1C(=O)CO)C 1458a_100000210174_200009893639 [1,1,0,0,0,0|0,0,1]=3 1203 B14R1.707 CCC(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1458a_100009868045_100000210202 [1,1,0,0,0,0|1,0,0]=3 1204 B14R1.707 CCC(=O)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 1458a_100000210414_200009893639 [1,1,0,0,0,0|1,0,0]=3 1205 B14R1.707 CCN(C)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 269982a_100000225621_200009893639 [1,1,0,0,0,0|1,0,0]=3 1206 B14R1.707 CNC(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 11a_106832991635_100009868045 [1,1,0,0,0,0|2,0,0]=4 1207 B14R1.707 CNC(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1626a_100102657272_100009868045 [1,1,0,0,0,0|2,0,0]=4 1208 B14R1.707 CNC(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 240690a_100102657272_100009868045 [1,1,0,0,0,0|2,0,0]=4 1209 B14R1.707 CNC(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 527a_100102657272_100009868045 [1,1,0,0,0,0|2,0,0]=4 1210 B14R1.623 CC(C)C1CCCCN1C(=O)CCO 240690a_100000757267_100011216618 [1,1,0,0,0,0|2,0,0]=4 1211 B14R1.623 CC(C)C1CCCCN1C(C)CCO 2230a_100000757267_100009893172 [1,1,0,0,0,0|2,0,0]=4 1212 B14R1.623 CC(C)C1CCCCN1C(C)CCO 269982a_100000757267_100009893172 [1,1,0,0,0,0|2,0,0]=4 1213 B14R1.623 CC(C)C1CCCCN1C(C)CCO 34a_100000757267_100009893172 [1,1,0,0,0,0|2,0,0]=4 1214 B14R1.623 CC(C)N1CCCCC1C(=O)CCO 1458a_100000755935_100000211926 [1,1,0,0,0,0|2,0,0]=4 1215 B14R1.623 CN(C)[C@@H]1CCCC[C@H]1N(C)CCO 269982a_100009930120_100000211926 [1,1,0,0,0,0|2,0,0]=4 1216 B14R1.788 C#CCOC1CCCCC1C(C)(C)C 34a_100011215335_100000184674 [1,1,0,0,0,0|1,0,1]=4 1217 B14R1.788 C#CCOC1CCCCC1C(C)(C)C 7a_100011215335_100000038162 [1,1,0,0,0,0|1,0,1]=4 1218 B14R1.788 C=CCOC1CCCCC1C(C)(C)C 34a_100011215335_100015514636 [1,1,0,0,0,0|1,0,1]=4 1219 B14R1.788 C=CCOC1CCCCC1C(C)(C)C 7a_100011215335_100015514636 [1,1,0,0,0,0|1,0,1]=4 1220 B14R1.788 CC(C)(C)C1CCCCC1OCC#N 7a_100011215335_100011215382 [1,1,0,0,0,0|1,0,1]=4 1221 B14R1.788 CC(C)(C)C1CCCCC1OCC=O 34a_100011215335_200009817547 [1,1,0,0,0,0|0,0,2]=4 1222 B14R1.788 CC(C)(C)C1CCCCC1OCC=O 7a_100011215335_200015260668 [1,1,0,0,0,0|0,0,2]=4 1223 B14R1.788 CC(C)(C)C1CCCCC1OCCF 34a_100011215335_100011217306 [1,1,0,0,0,0|1,0,0]=3 1224 B14R1.788 CC(C)(C)C1CCCCC1OCCF 7a_100011215335_100011217306 [1,1,0,0,0,0|1,0,0]=3 1225 B14R1.788 CC(C)(C)C1CCCCC1OCCO 34a_100011215335_100000211926 [1,1,0,0,0,0|0,0,0]=2 1226 B14R1.788 CC(C)(C)C1CCCCC1OCCO 7a_100011215335_100000211926 [1,1,0,0,0,0|0,0,0]=2 1227 B14R1.788 CC(C)(C)N1CCCCC1CCCO 269982a_100011934581_100000210625 [1,1,0,0,0,0|2,0,0]=4 1228 B14R1.788 CC(C)(C)N1CCCCC1CCCO 34a_100011934581_100000210625 [1,1,0,0,0,0|2,0,0]=4 1229 B14R1.788 CCCOC1CCCCC1C(C)(C)C 34a_100011215335_100000210303 [1,1,0,0,0,0|1,0,0]=3 1230 B14R1.788 CCCOC1CCCCC1C(C)(C)C 7a_100011215335_100000210303 [1,1,0,0,0,0|1,0,0]=3 1231 B14R1.788 CSCOC1CCCCC1C(C)(C)C 34a_100011215335_100011218213 [1,1,0,0,0,0|2,0,0]=4 1232 B14R1.788 OCCOC1CCCCC1C(F)(F)F 34a_100011217551_100000211926 [1,1,0,0,0,0|2,0,0]=4 1233 B14R1.788 OCCOC1CCCCC1C(F)(F)F 7a_100011217551_100000211926 [1,1,0,0,0,0|2,0,0]=4 1234 B14R1.789 CC(CO)N1CCCCC1CCCO 2230a_100011934581_100012180447 [1,1,0,0,0,0|2,0,0]=4 1235 B14R1.789 CC(CO)N1CCCCC1CCCO 34a_100011934581_100012180447 [1,1,0,0,0,0|2,0,0]=4 1236 B14R1.789 CCC(C)C1CCCCC1NCCF 269862a_100000724931_100011216798 [1,1,0,0,0,0|2,0,0]=4 1237 B14R1.789 CCC(C)C1CCCCC1NCCO 269862a_100000210304_100011216798 [1,1,0,0,0,0|1,0,0]=3 1238 B14R1.789 CCC(C)N1CCCCC1CCCO 2230a_100011934581_100000758301 [1,1,0,0,0,0|2,0,0]=4 1239 B14R1.789 CCC(C)N1CCCCC1CCCO 269982a_100011934581_100000758301 [1,1,0,0,0,0|2,0,0]=4 1240 B14R1.789 CCC(C)N1CCCCC1CCCO 34a_100011934581_100011215416 [1,1,0,0,0,0|2,0,0]=4 1241 B14R1.789 CCCNC1CCCCC1C(C)CC 269862a_100020643023_100011216798 [1,1,0,0,0,0|2,0,0]=4 1242 B14R1.789 COC(=O)[C@@H]1CCCC[C@@H]1OCCO 34a_100015709673_100000211926 [1,1,0,0,0,0|1,0,1]=4 1243 B14R1.789 COC(=O)[C@@H]1CCCC[C@@H]1OCCO 7a_100015709673_100000211926 [1,1,0,0,0,0|1,0,1]=4 1244 B14R1.789 COC(C)N1CCCCC1CCCO 269982a_100011934581_100009879195 [1,1,0,0,0,0|2,0,0]=4 1245 B14R1.789 C[C@H](CO)N1CCCCC1CCCO 269982a_100011934581_100016084084 [1,1,0,0,0,0|2,0,0]=4 1246 B14R1.903 C#CCCOC1CCCCC1C(C)C 34a_100011709184_100000688953 [1,1,0,0,0,0|1,0,0]=3 1247 B14R1.903 C#CCCOC1CCCCC1C(C)C 7a_100011709184_100000688953 [1,1,0,0,0,0|1,0,0]=3 1248 B14R1.903 C/C=C/COC1CCCCC1C(C)C 34a_100011709184_100102629194 [1,1,0,0,0,0|1,0,1]=4 1249 B14R1.903 C/C=C/COC1CCCCC1C(C)C 7a_100011709184_100102629194 [1,1,0,0,0,0|1,0,1]=4 1250 B14R1.903 C=CCCOC1CCCCC1C(C)C 34a_100011709184_100000754431 [1,1,0,0,0,0|1,0,0]=3 1251 B14R1.903 C=CCCOC1CCCCC1C(C)C 7a_100011709184_100000754431 [1,1,0,0,0,0|1,0,0]=3 1252 B14R1.903 CC#CCOC1CCCCC1C(C)C 34a_100011709184_100000748600 [1,1,0,0,0,0|1,0,1]=4 1253 B14R1.903 CC#CCOC1CCCCC1C(C)C 7a_100011709184_100000748600 [1,1,0,0,0,0|1,0,1]=4 1254 B14R1.903 CC(C)C1CCCCC1OCCC#N 7a_100011709184_100000184422 [1,1,0,0,0,0|1,0,0]=3 1255 B14R1.903 CC(C)C1CCCCC1OCCCF 34a_100011709184_100011934791 [1,1,0,0,0,0|1,0,0]=3 1256 B14R1.903 CC(C)C1CCCCC1OCCCF 7a_100011709184_100011934791 [1,1,0,0,0,0|1,0,0]=3 1257 B14R1.903 CC(C)C1CCCCC1OCCCO 34a_100011709184_100000230001 [1,1,0,0,0,0|0,0,0]=2 1258 B14R1.903 CC(C)C1CCCCC1OCCCO 7a_100011709184_100011215043 [1,1,0,0,0,0|0,0,0]=2 1259 B14R1.903 CC(C)C1CCCCN1CCCCO 2230a_100000757267_100000210776 [1,1,0,0,0,0|2,0,0]=4 1260 B14R1.903 CC(C)C1CCCCN1CCCCO 269982a_100000757267_100000210776 [1,1,0,0,0,0|2,0,0]=4 1261 B14R1.903 CC(C)C1CCCCN1CCCCO 34a_100000757267_100011216708 [1,1,0,0,0,0|2,0,0]=4 1262 B14R1.903 CC=CCOC1CCCCC1C(C)C 34a_100011709184_100000070051 [1,1,0,0,0,0|1,0,1]=4 1263 B14R1.903 CC=CCOC1CCCCC1C(C)C 7a_100011709184_100000070051 [1,1,0,0,0,0|1,0,1]=4 1264 B14R1.903 CCCCOC1CCCCC1C(C)C 34a_100011709184_100000210210 [1,1,0,0,0,0|1,0,0]=3 1265 B14R1.903 CCCCOC1CCCCC1C(C)C 7a_100011709184_100000210211 [1,1,0,0,0,0|1,0,0]=3 1266 B14R1.903 COCCCC1CCCCN1C(C)C 2230a_100011804088_100000210206 [1,1,0,0,0,0|2,0,0]=4 1267 B14R1.903 COCCCC1CCCCN1C(C)C 269982a_100011804088_100000210206 [1,1,0,0,0,0|2,0,0]=4 1268 B14R1.903 COCCCC1CCCCN1C(C)C 34a_100011804088_100000210206 [1,1,0,0,0,0|2,0,0]=4 1269 B14R1.903 COCCCN1CCCCC1C(C)C 2230a_100000757267_100000740836 [1,1,0,0,0,0|2,0,0]=4 1270 B14R1.903 COCCCN1CCCCC1C(C)C 269982a_100000757267_100000740836 [1,1,0,0,0,0|2,0,0]=4 1271 B14R1.903 COCCCN1CCCCC1C(C)C 34a_100000757267_100000740836 [1,1,0,0,0,0|2,0,0]=4 1272 B14R1.903 COCCOC1CCCCC1C(C)C 34a_100011709184_100011201679 [1,1,0,0,0,0|0,0,0]=2 1273 B14R1.903 COCCOC1CCCCC1C(C)C 7a_100011709184_100000233755 [1,1,0,0,0,0|0,0,0]=2 1274 B14R1.903 CSCCOC1CCCCC1C(C)C 34a_100011709184_100000212216 [1,1,0,0,0,0|0,1,0]=3 1275 B14R1.903 CSCCOC1CCCCC1C(C)C 7a_100011709184_100000212216 [1,1,0,0,0,0|0,1,0]=3 1276 B14R1.3302 C#CC(C)OC1CCCCC1C(C)C 34a_100011709184_200000035995 [1,1,0,0,0,0|1,0,1]=4 1277 B14R1.3302 CC(C#N)OC1CCCCC1C(C)C 7a_100011709184_100000703298 [1,1,0,0,0,0|1,0,1]=4 1278 B14R1.3302 CC(C)C1CCCCN1CC(O)CO 2230a_100000757267_100011219619 [1,1,0,0,0,0|2,0,0]=4 1279 B14R1.3302 CC(C)C1CCCCN1CC(O)CO 34a_100000757267_100011219619 [1,1,0,0,0,0|2,0,0]=4 1280 B14R1.3302 CC(C)C1CCCCN1C[C@@H](C)CO 2230a_100000757267_100000059175 [1,1,0,0,0,0|2,0,0]=4 1281 B14R1.3302 CC(C)C1CCCCN1C[C@@H](C)CO 269982a_100000757267_100000059175 [1,1,0,0,0,0|2,0,0]=4 1282 B14R1.3302 CC(C)C1CCCCN1C[C@@H](C)CO 34a_100000757267_100000059175 [1,1,0,0,0,0|2,0,0]=4 1283 B14R1.3302 CC(C)C1CCCCN1C[C@@H](O)CO 2230a_100000757267_100009815848 [1,1,0,0,0,0|2,0,0]=4 1284 B14R1.3302 CC(C)C1CCCCN1C[C@@H](O)CO 34a_100000757267_100009815848 [1,1,0,0,0,0|2,0,0]=4 1285 B14R1.3302 CC(CO)OC1CCCCC1C(C)C 34a_100011709184_100012180447 [1,1,0,0,0,0|0,0,0]=2 1286 B14R1.3302 CC(CO)OC1CCCCC1C(C)C 7a_100011709184_100012180447 [1,1,0,0,0,0|0,0,0]=2 1287 B14R1.3302 CCC(C)OC1CCCCC1C(C)C 34a_100011709184_100011215416 [1,1,0,0,0,0|1,0,0]=3 1288 B14R1.3302 CCC(C)OC1CCCCC1C(C)C 7a_100011709184_100000758301 [1,1,0,0,0,0|1,0,0]=3 1289 B14R1.4522 C=C(C)COC1CCCCC1C(C)C 34a_100011709184_100000748629 [1,1,0,0,0,0|1,0,1]=4 1290 B14R1.4522 C=C(C)COC1CCCCC1C(C)C 7a_100011709184_100000748629 [1,1,0,0,0,0|1,0,1]=4 1291 B14R1.4522 C=C(F)COC1CCCCC1C(C)C 34a_100011709184_100009893438 [1,1,0,0,0,0|1,0,1]=4 1292 B14R1.4522 C=C(F)COC1CCCCC1C(C)C 7a_100011709184_100000042424 [1,1,0,0,0,0|1,0,1]=4 1293 B14R1.4522 CC(C)C1CCCCC1OCC(=O)N 34a_100011709184_100000187820 [1,1,0,0,0,0|0,0,2]=4 1294 B14R1.4522 CC(C)C1CCCCC1OCC(=O)N 7a_100011709184_100000187820 [1,1,0,0,0,0|0,0,2]=4 1295 B14R1.4522 CC(C)C1CCCCC1OCC(=O)[O-] 34a_100011709184_100020667443 [1,1,0,0,0,0|0,0,2]=4 1296 B14R1.4522 CC(C)C1CCCCC1OCC(F)F 34a_100011709184_100011934356 [1,1,0,0,0,0|1,0,0]=3 1297 B14R1.4522 CC(C)C1CCCCC1OCC(F)F 7a_100011709184_100011934356 [1,1,0,0,0,0|1,0,0]=3 1298 B14R1.4522 CC(C)C1CCCCC1OC[C@@H](C)O 34a_100011709184_100009817552 [1,1,0,0,0,0|0,0,0]=2 1299 B14R1.4522 CC(C)C1CCCCC1OC[C@@H](C)O 7a_100011709184_100009817552 [1,1,0,0,0,0|0,0,0]=2 1300 B14R1.4522 CC(C)C1CCCCC1OC[N+](=O)[O-] 34a_100011709184_100000761209 [1,1,0,0,0,0|1,0,1]=4 1301 B14R1.4522 CC(C)COC1CCCCC1C(C)C 34a_100011709184_100000210624 [1,1,0,0,0,0|1,0,0]=3 1302 B14R1.4522 CC(C)COC1CCCCC1C(C)C 7a_100011709184_100000210760 [1,1,0,0,0,0|1,0,0]=3 1303 B14R1.4522 CC(O)CCN1CCCCC1C(C)C 2230a_100000757267_100012276601 [1,1,0,0,0,0|2,0,0]=4 1304 B14R1.4522 CC(O)CCN1CCCCC1C(C)C 269982a_100000757267_100012276601 [1,1,0,0,0,0|2,0,0]=4 1305 B14R1.4522 CC(O)CCN1CCCCC1C(C)C 34a_100000757267_100012276601 [1,1,0,0,0,0|2,0,0]=4 1306 B14R1.4522 CC(O)COC1CCCCC1C(C)C 34a_100011709184_100011218427 [1,1,0,0,0,0|0,0,0]=2 1307 B14R1.4522 CC(O)COC1CCCCC1C(C)C 7a_100011709184_100011218427 [1,1,0,0,0,0|0,0,0]=2 1308 B16R1.133 CCCN(CC)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 269982a_100000226822_200009893639 [0,2,0,0,0,0|2,0,0]=4 1309 B16R1.133 CCN(CCO)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 269982a_100000210973_200009893639 [0,2,0,0,0,0|1,0,0]=3 1310 B16R1.1449 C#CCCC(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1458a_100009868045_100000753159 [0,2,0,0,0,0|2,0,0]=4 1311 B16R1.1449 C#CCCC(=O)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 1458a_100000692101_200009893639 [0,2,0,0,0,0|2,0,0]=4 1312 B16R1.1449 C=CCCC(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1458a_100009868045_100000754431 [0,2,0,0,0,0|2,0,0]=4 1313 B16R1.1449 C=CCCC(=O)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 1458a_100000749702_200009893639 [0,2,0,0,0,0|2,0,0]=4 1314 B16R1.1449 C=CCCN(C)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 269982a_100020639649_200009893639 [0,2,0,0,0,0|2,0,0]=4 1315 B16R1.1449 CC(C)[C@@H]1CC[C@H](C[C@H]1C(=O)CCC#N)C 1458a_100009868045_100011215226 [0,2,0,0,0,0|2,0,0]=4 1316 B16R1.1449 CC(C)[C@@H]1CC[C@H](C[C@H]1C(=O)CCCF)C 1458a_100009868045_100011934791 [0,2,0,0,0,0|2,0,0]=4 1317 B16R1.1449 CC(C)[C@@H]1CC[C@H](C[C@H]1C(=O)CCCO)C 1458a_100009868045_100011215043 [0,2,0,0,0,0|1,0,0]=3 1318 B16R1.1449 CC(C)[C@@H]1CC[C@H](C[C@H]1C(=O)NCCF)C 11a_100000724931_100009868045 [0,2,0,0,0,0|2,0,0]=4 1319 B16R1.1449 CC(C)[C@@H]1CC[C@H](C[C@H]1C(=O)NCCF)C 1626a_100000724931_100009868045 [0,2,0,0,0,0|2,0,0]=4 1320 B16R1.1449 CC(C)[C@@H]1CC[C@H](C[C@H]1C(=O)NCCF)C 240690a_100000724931_100009868045 [0,2,0,0,0,0|2,0,0]=4 1321 B16R1.1449 CC(C)[C@@H]1CC[C@H](C[C@H]1C(=O)NCCF)C 527a_100000724931_100009868045 [0,2,0,0,0,0|2,0,0]=4 1322 B16R1.1449 CC(C)[C@@H]1CC[C@H](C[C@H]1C(=O)NCCO)C 240690a_100000210304_100009868045 [0,2,0,0,0,0|1,0,0]=3 1323 B16R1.1449 CC(C)[C@@H]1CC[C@H](C[C@H]1C(=O)NCCO)C 527a_100000210304_100009868045 [0,2,0,0,0,0|1,0,0]=3 1324 B16R1.1449 CC(C)[C@H]1CC[C@@H](C[C@@H]1C(=O)C#CCO)C 1458a_100000049017_200009893639 [0,2,0,0,0,0|1,0,1]=4 1325 B16R1.1449 CC(C)[C@H]1CC[C@@H](C[C@@H]1C(=O)CCC#N)C 1458a_100011934036_200009893639 [0,2,0,0,0,0|2,0,0]=4 1326 B16R1.1449 CC(C)[C@H]1CC[C@@H](C[C@@H]1N(C)CCCO)C 269982a_100000213112_200009893639 [0,2,0,0,0,0|1,0,0]=3 1327 B16R1.1449 CCCCC(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1458a_100009868045_100000210211 [0,2,0,0,0,0|2,0,0]=4 1328 B16R1.1449 CCCCC(=O)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 1458a_100000210183_200009893639 [0,2,0,0,0,0|2,0,0]=4 1329 B16R1.1449 CCCCN(C)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 269982a_100000207549_200009893639 [0,2,0,0,0,0|2,0,0]=4 1330 B16R1.1449 CCCNC(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 11a_100020643023_100009868045 [0,2,0,0,0,0|2,0,0]=4 1331 B16R1.1449 CCCNC(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1626a_100020643023_100009868045 [0,2,0,0,0,0|2,0,0]=4 1332 B16R1.1449 CCCNC(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 240690a_100020643023_100009868045 [0,2,0,0,0,0|2,0,0]=4 1333 B16R1.1449 CCCNC(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 527a_100020643023_100009868045 [0,2,0,0,0,0|2,0,0]=4 1334 B16R1.1449 CCOCC(=O)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 1458a_100000211967_200009893639 [0,2,0,0,0,0|2,0,0]=4 1335 B16R1.1449 CCSCC(=O)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 1458a_100000230394_200009893639 [0,2,0,0,0,0|2,0,0]=4 1336 B16R1.1449 COCCC(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1458a_100009868045_100000233755 [0,2,0,0,0,0|1,0,0]=3 1337 B16R1.1449 COCCC(=O)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 1458a_100000749529_200009893639 [0,2,0,0,0,0|1,0,0]=3 1338 B16R1.1449 COCCN(C)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 269982a_100000743101_200009893639 [0,2,0,0,0,0|1,0,0]=3 1339 B16R1.1449 CSCCC(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1458a_100009868045_100000751147 [0,2,0,0,0,0|1,1,0]=4 1340 B16R1.1449 CSCCC(=O)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 1458a_100000174002_200009893639 [0,2,0,0,0,0|1,1,0]=4 1341 B16R1.1449 CSCCN(C)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 269982a_100000686725_200009893639 [0,2,0,0,0,0|1,1,0]=4 1342 B16R1.1624 CC(C)[C@H]1CC[C@@H](C[C@@H]1C(=O)C(O)CO)C 1458a_100011215603_200009893639 [0,2,0,0,0,0|1,0,0]=3 1343 B16R1.1624 CC(C)[C@H]1CC[C@@H](C[C@@H]1N(C)C(C)CO)C 269982a_100000693034_200009893639 [0,2,0,0,0,0|1,0,0]=3 1344 B16R1.1624 CCC(C)C(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1458a_100009868045_100000758301 [0,2,0,0,0,0|2,0,0]=4 1345 B16R1.1624 CCC(C)C(=O)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 1458a_100011192722_200009893639 [0,2,0,0,0,0|2,0,0]=4 1346 B16R1.1624 CCC(C)N(C)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 269982a_100000741768_200009893639 [0,2,0,0,0,0|2,0,0]=4 1347 B16R1.1624 CCC(O)C(=O)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 1458a_100011196387_200009893639 [0,2,0,0,0,0|2,0,0]=4 1348 B16R1.11392 CC(C)CC(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1458a_100009868045_100000210624 [0,2,0,0,0,0|2,0,0]=4 1349 B16R1.11392 CC(C)CC(=O)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 1458a_100000210554_200009893639 [0,2,0,0,0,0|2,0,0]=4 1350 B16R1.11392 CC(C)CN(C)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 269982a_100000747067_200009893639 [0,2,0,0,0,0|2,0,0]=4 1351 B16R1.11392 CC(C)[C@@H]1CC[C@H](C[C@H]1C(=O)CC(F)F)C 1458a_100009868045_100011934356 [0,2,0,0,0,0|2,0,0]=4 1352 B16R1.11392 CC(C)[C@H]1CC[C@@H](C[C@@H]1C(=O)C[C@@H](C)O)C 1458a_100011933948_200009893639 [0,2,0,0,0,0|1,0,0]=3 1353 B16R1.11392 CC(C)[C@H]1CC[C@@H](C[C@@H]1N(C)CC(=O)O)C 269956a_100000746989_200009893639 [0,2,0,0,0,0|1,0,1]=4 1354 B16R1.11392 CC(O)CC(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1458a_100009868045_100011218427 [0,2,0,0,0,0|1,0,0]=3 1355 B16R1.11392 CC(O)CN(C)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 269982a_100000227577_200009893639 [0,2,0,0,0,0|1,0,0]=3 1356 B16R1.241 C#CCCCN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 2230a_100025773825_100000731252 [0,2,0,0,0,0|2,0,0]=4 1357 B16R1.241 C#CCCCN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 34a_100025773825_100000695029 [0,2,0,0,0,0|2,0,0]=4 1358 B16R1.241 C#CCCCN[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000718082_200009893639 [0,2,0,0,0,0|2,0,0]=4 1359 B16R1.241 C#CCCCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000215630_200009893639 [0,2,0,0,0,0|1,0,0]=3 1360 B16R1.241 C#CCCCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_100000695029 [0,2,0,0,0,0|1,0,0]=3 1361 B16R1.241 C#CCCCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_100011215417 [0,2,0,0,0,0|1,0,0]=3 1362 B16R1.241 C#CCCCS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_100011215417_200009893639 [0,2,0,0,0,0|1,1,0]=4 1363 B16R1.241 C#CCCCS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_100011215417 [0,2,0,0,0,0|1,1,0]=4 1364 B16R1.241 C/C=C/CCO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100016278192_200009893639 [0,2,0,0,0,0|1,0,0]=3 1365 B16R1.241 C=C(C)[C@@H]1CC[C@H](C[C@H]1OCC#CCO)C 34a_100016197468_200000047223 [0,2,0,0,0,0|0,0,2]=4 1366 B16R1.241 C=C(C)[C@@H]1CC[C@H](C[C@H]1OCC#CCO)C 7a_100016197468_200000047223 [0,2,0,0,0,0|0,0,2]=4 1367 B16R1.241 C=C(C)[C@@H]1CC[C@H](C[C@H]1OCCCCO)C 34a_100016197468_100011216708 [0,2,0,0,0,0|0,0,2]=4 1368 B16R1.241 C=C(C)[C@@H]1CC[C@H](C[C@H]1OCCCCO)C 7a_100016197468_100000210776 [0,2,0,0,0,0|0,0,2]=4 1369 B16R1.241 C=C(C)[C@@H]1CC[C@H](C[C@H]1OCCCOC)C 34a_100016197468_100000740836 [0,2,0,0,0,0|0,0,2]=4 1370 B16R1.241 C=C(C)[C@@H]1CC[C@H](C[C@H]1OCCCOC)C 7a_100016197468_100000740836 [0,2,0,0,0,0|0,0,2]=4 1371 B16R1.241 C=C(C)[C@@H]1CC[C@H](C[C@H]1OCCOCC)C 34a_100016197468_100000210147 [0,2,0,0,0,0|0,0,2]=4 1372 B16R1.241 C=C(C)[C@@H]1CC[C@H](C[C@H]1OCCOCC)C 7a_100016197468_100011215890 [0,2,0,0,0,0|0,0,2]=4 1373 B16R1.241 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CC(C)[C@H]1CC[C@@H](C[C@@H]1O[C@H](C)C(=O)N)C 34a_100000731257_200009893639 [0,2,0,0,0,0|0,0,2]=4 1726 B16R1.11435 CC(O[C@H]1C[C@H](CC[C@@H]1C(C)C)C)C(=O)N 34a_100000763588_100000702099 [0,2,0,0,0,0|0,0,2]=4 1727 B16R1.11435 CC(O[C@H]1C[C@H](CC[C@@H]1C(C)C)C)C(=O)N 7a_100000763588_100000702099 [0,2,0,0,0,0|0,0,2]=4 1728 B16R1.11427 C=C(C)[C@@H]1CC[C@H](C[C@H]1OCC(C)(C)O)C 34a_100016197468_100000764493 [0,2,0,0,0,0|0,0,2]=4 1729 B16R1.11427 C=C(C)[C@@H]1CC[C@H](C[C@H]1OCC(C)(C)O)C 7a_100016197468_100000764493 [0,2,0,0,0,0|0,0,2]=4 1730 B16R1.11427 CC(C)[C@@H]1CC[C@H](CC1NCC(C)(C)C)C 269862a_100000743828_100009815803 [0,2,0,0,0,0|2,0,0]=4 1731 B16R1.11427 CC(C)[C@@H]1CC[C@H](CC1NCC(C)(C)F)C 269862a_100020643315_100009815803 [0,2,0,0,0,0|2,0,0]=4 1732 B16R1.11427 CC(C)[C@@H]1CC[C@H](CC1NCC(C)(C)O)C 269862a_100000751335_100009815803 [0,2,0,0,0,0|1,0,0]=3 1733 B16R1.11427 CC(C)[C@@H]1CC[C@H](CC1NCC(C)(F)F)C 269862a_100000731000_100009815803 [0,2,0,0,0,0|2,0,0]=4 1734 B16R1.11427 CC(C)[C@@H]1CC[C@H](C[C@H]1NCC(C)(C)C)C 270004a_100025773825_100011204126 [0,2,0,0,0,0|2,0,0]=4 1735 B16R1.11427 CC(C)[C@@H]1CC[C@H](C[C@H]1NCC(C)(C)C)C 34a_100025773825_100011219605 [0,2,0,0,0,0|2,0,0]=4 1736 B16R1.11427 CC(C)[C@@H]1CC[C@H](C[C@H]1NCC(C)(C)F)C 34a_100025773825_100011997219 [0,2,0,0,0,0|2,0,0]=4 1737 B16R1.11427 CC(C)[C@@H]1CC[C@H](C[C@H]1NCC(C)(C)O)C 34a_100025773825_100000764493 [0,2,0,0,0,0|1,0,0]=3 1738 B16R1.11427 CC(C)[C@@H]1CC[C@H](C[C@H]1NCC(F)(F)F)C 2230a_100025773825_100000763148 [0,2,0,0,0,0|2,0,0]=4 1739 B16R1.11427 CC(C)[C@H]1CC[C@@H](C[C@@H]1NCC(F)(F)F)C 34a_100000717047_200009893639 [0,2,0,0,0,0|2,0,0]=4 1740 B16R1.11427 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(C)(C)C)C 34a_100000763588_100011219605 [0,2,0,0,0,0|1,0,0]=3 1741 B16R1.11427 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(C)(C)F)C 34a_100000716592_200009893639 [0,2,0,0,0,0|1,0,0]=3 1742 B16R1.11427 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(C)(C)F)C 34a_100000763588_100011997219 [0,2,0,0,0,0|1,0,0]=3 1743 B16R1.11427 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(C)(C)O)C 34a_100000763588_100000764493 [0,2,0,0,0,0|0,0,0]=2 1744 B16R1.11427 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(C)(C)O)C 7a_100000763588_100000764493 [0,2,0,0,0,0|0,0,0]=2 1745 B16R1.11427 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(C)(F)F)C 34a_100000068830_200009893639 [0,2,0,0,0,0|1,0,0]=3 1746 B16R1.11427 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(F)(F)Br)C 34a_100011217949_200009893639 [0,2,0,0,0,0|1,0,0]=3 1747 B16R1.11427 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(F)(F)Cl)C 34a_100000734434_200009893639 [0,2,0,0,0,0|1,0,0]=3 1748 B16R1.11427 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC(F)(F)F)C 34a_100000210435_200009893639 [0,2,0,0,0,0|1,0,0]=3 1749 B16R1.11427 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCS(=O)(=O)[O-])C 34a_100000763588_100009817235 [0,2,0,0,0,0|1,0,1]=4 1750 B16R1.11427 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC[Si](C)(C)C)C 7a_100000763588_100000233785 [0,2,0,0,0,0|1,1,0]=4 1751 B16R1.11427 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCC(C)(C)C)C 62a_100011219605_200009893639 [0,2,0,0,0,0|1,1,0]=4 1752 B16R1.11427 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCC(C)(C)C)C 62a_200009893639_100011219605 [0,2,0,0,0,0|1,1,0]=4 1753 B16R1.11427 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCC(C)(C)F)C 62a_100011997219_200009893639 [0,2,0,0,0,0|1,1,0]=4 1754 B16R1.11427 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCC(C)(C)F)C 62a_200009893639_100011997219 [0,2,0,0,0,0|1,1,0]=4 1755 B16R1.11427 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCC(C)(C)O)C 62a_100000764493_200009893639 [0,2,0,0,0,0|0,1,0]=3 1756 B16R1.11427 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCC(C)(C)O)C 62a_200009893639_100000764493 [0,2,0,0,0,0|0,1,0]=3 1757 B16R1.11427 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCC(F)(F)F)C 62a_100000763148_200009893639 [0,2,0,0,0,0|1,1,0]=4 1758 B16R1.11427 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCC(F)(F)F)C 62a_200009893639_100000763148 [0,2,0,0,0,0|1,1,0]=4 1759 B14R1.37 CC1CCC(C1)N(C)CCCCCO 270004a_100000722520_100011215218 [0,0,1,1,0,0|2,0,0]=4 1760 B14R1.37 CC1CCC(C1)N(C)CCOCCO 270004a_100000228057_100011215218 [0,0,1,1,0,0|1,0,0]=3 1761 B14R1.37 CN(CCOCCO)C1CCC(C1)O 270004a_100000228057_100012614533 [0,0,1,1,0,0|2,0,0]=4 1762 B14R1.37 CN1CCC(C1)N(C)CCOCCO 2230a_103436538152_100011215305 [0,0,1,1,0,0|2,0,0]=4 1763 B14R1.37 CN1CCC(C1)N(C)CCOCCO 269982a_100000228057_200012183744 [0,0,1,1,0,0|2,0,0]=4 1764 B14R1.37 CN1CCC(C1)N(C)CCOCCO 269982a_103436538152_100011215305 [0,0,1,1,0,0|2,0,0]=4 1765 B14R1.76 CC(C)CCCN1CCCC(C1)CO 2230a_100000211344_100011214892 [0,0,1,1,0,0|2,0,0]=4 1766 B14R1.76 CC(C)CCCN1CCCC(C1)CO 269982a_100000211344_100011214892 [0,0,1,1,0,0|2,0,0]=4 1767 B14R1.76 CC(C)CCCN1CCCC(C1)CO 34a_100000211344_100011214892 [0,0,1,1,0,0|2,0,0]=4 1768 B14R1.76 CC(C)CCCN1CCO[C@@H](C1)CO 2230a_100015189573_100011214892 [0,0,1,1,0,0|1,0,0]=3 1769 B14R1.76 CC(C)CCCN1CCO[C@@H](C1)CO 269982a_100015189573_100011214892 [0,0,1,1,0,0|1,0,0]=3 1770 B14R1.76 CC(C)CCCN1CCO[C@@H](C1)CO 34a_100015189573_100011214892 [0,0,1,1,0,0|1,0,0]=3 1771 B14R1.76 CC(C)OCCN1CCO[C@@H](C1)CO 2230a_100015189573_100000211751 [0,0,1,1,0,0|2,0,0]=4 1772 B14R1.76 CC(C)OCCN1CCO[C@@H](C1)CO 269982a_100015189573_100000211751 [0,0,1,1,0,0|2,0,0]=4 1773 B14R1.76 CC(C)OCCN1CCO[C@@H](C1)CO 34a_100015189573_100000211751 [0,0,1,1,0,0|2,0,0]=4 1774 B14R1.76 CC(C)SCCN1CCO[C@@H](C1)CO 2230a_100015189573_100000730970 [0,0,1,1,0,0|2,0,0]=4 1775 B14R1.76 CC(C)SCCN1CCO[C@@H](C1)CO 269982a_100015189573_100000730970 [0,0,1,1,0,0|2,0,0]=4 1776 B14R1.76 CC(C)SCCN1CCO[C@@H](C1)CO 34a_100015189573_100000730970 [0,0,1,1,0,0|2,0,0]=4 1777 B14R1.76 CC(O)CCCN1CCO[C@@H](C1)CO 2230a_100015189573_200000718107 [0,0,1,1,0,0|2,0,0]=4 1778 B14R1.76 CC(O)CCCN1CCO[C@@H](C1)CO 269982a_100015189573_200000718107 [0,0,1,1,0,0|2,0,0]=4 1779 B14R1.76 CC(O)CCCN1CCO[C@@H](C1)CO 34a_100015189573_200000718107 [0,0,1,1,0,0|2,0,0]=4 1780 B14R1.76 CCC1CN(CCO1)CCCC(C)C 2230a_100000736320_100011214892 [0,0,1,1,0,0|2,0,0]=4 1781 B14R1.76 CCC1CN(CCO1)CCCC(C)C 269982a_100000736320_100011214892 [0,0,1,1,0,0|2,0,0]=4 1782 B14R1.76 CCC1CN(CCO1)CCCC(C)C 34a_100000736320_100011214892 [0,0,1,1,0,0|2,0,0]=4 1783 B14R1.76 CN(C)CCCN1CCO[C@@H](C1)CO 269982a_100015189573_100000757444 [0,0,1,1,0,0|2,0,0]=4 1784 B14R1.220 CN(C)[C@H]1CCN(C1)CCOCCO 2230a_100016988096_100011215305 [0,0,1,1,0,0|2,0,0]=4 1785 B14R1.220 CN(C)[C@H]1CCN(C1)CCOCCO 269982a_100016988096_100011215305 [0,0,1,1,0,0|2,0,0]=4 1786 B14R1.420 CC(C)CCCC(=O)C1COCCO1 1458a_100000045528_100011214892 [0,0,1,1,0,0|1,0,1]=4 1787 B14R1.420 CC(C)CCCC(C)N1CCCOC1 270004a_100000131196_100000753411 [0,0,1,1,0,0|2,0,0]=4 1788 B14R1.448 CC(C)CCCN1CCC(C1)CCO 2230a_100016987287_100011214892 [0,0,1,1,0,0|2,0,0]=4 1789 B14R1.448 CC(C)CCCN1CCC(C1)CCO 269982a_100016987287_100011214892 [0,0,1,1,0,0|2,0,0]=4 1790 B14R1.448 CC(C)CCCN1CCC(C1)CCO 34a_100016987287_100011214892 [0,0,1,1,0,0|2,0,0]=4 1791 B14R1.659 CCCOC1CN(C1)CCCC(C)C 269982a_200020626125_100011214892 [0,0,1,1,0,0|2,0,0]=4 1792 B14R1.659 CCCOC1CN(C1)CCCC(C)C 34a_200020626125_100011214892 [0,0,1,1,0,0|2,0,0]=4 1793 B14R1.810 CC(C)CCCC(=O)CC1OCCO1 1458a_100011216857_100000755774 [0,0,1,1,0,0|1,0,1]=4 1794 B14R1.810 CC(C)CCCN(C)CC1CCCO1 2230a_100102946541_100011214892 [0,0,1,1,0,0|2,0,0]=4 1795 B14R1.810 CC(C)CCCN(C)CC1CCCO1 269982a_100102946541_100011214892 [0,0,1,1,0,0|2,0,0]=4 1796 B14R1.810 CC(C)CCCN(C)CC1CCCO1 34a_100102946541_100011214892 [0,0,1,1,0,0|2,0,0]=4 1797 B14R1.810 CC(C)CCCN(C)CC1OCCO1 2230a_200000032744_100011214892 [0,0,1,1,0,0|1,0,0]=3 1798 B14R1.810 CC(C)CCCN(C)CC1OCCO1 269982a_200000032744_100011214892 [0,0,1,1,0,0|1,0,0]=3 1799 B14R1.810 CC(C)CCCN(C)CC1OCCO1 34a_200000032744_100011214892 [0,0,1,1,0,0|1,0,0]=3 1800 B14R1.810 CC(C)OCCN(C)CC1OCCO1 2230a_200000032744_100000211751 [0,0,1,1,0,0|2,0,0]=4 1801 B14R1.810 CC(C)OCCN(C)CC1OCCO1 269982a_200000032744_100000211751 [0,0,1,1,0,0|2,0,0]=4 1802 B14R1.810 CC(C)OCCN(C)CC1OCCO1 34a_200000032744_100000211751 [0,0,1,1,0,0|2,0,0]=4 1803 B14R1.810 CC(C)SCCN(C)CC1OCCO1 2230a_200000032744_100000730970 [0,0,1,1,0,0|2,0,0]=4 1804 B14R1.810 CC(C)SCCN(C)CC1OCCO1 269982a_200000032744_100000730970 [0,0,1,1,0,0|2,0,0]=4 1805 B14R1.810 CC(C)SCCN(C)CC1OCCO1 34a_200000032744_100000730970 [0,0,1,1,0,0|2,0,0]=4 1806 B14R1.810 CC(O)CCCN(C)CC1OCCO1 2230a_200000032744_200000718107 [0,0,1,1,0,0|2,0,0]=4 1807 B14R1.810 CC(O)CCCN(C)CC1OCCO1 269982a_200000032744_200000718107 [0,0,1,1,0,0|2,0,0]=4 1808 B14R1.810 CC(O)CCCN(C)CC1OCCO1 34a_200000032744_200000718107 [0,0,1,1,0,0|2,0,0]=4 1809 B14R1.810 CN(C)CCCN(C)CC1OCCO1 269982a_100000225831_100000755774 [0,0,1,1,0,0|2,0,0]=4 1810 B14R1.810 CN(C)CCCN(C)CC1OCCO1 269982a_200000032744_100000757444 [0,0,1,1,0,0|2,0,0]=4 1811 B14R1.1253 CC1CCCN(CC1)CCCCCO 2230a_100025706717_100000746330 [0,0,1,1,0,0|2,0,0]=4 1812 B14R1.1253 CC1CCCN(CC1)CCCCCO 269982a_100025706717_100000746330 [0,0,1,1,0,0|2,0,0]=4 1813 B14R1.1253 CC1CCCN(CC1)CCCCCO 34a_100025706717_100000746330 [0,0,1,1,0,0|2,0,0]=4 1814 B14R1.1253 CC1CCCN(CC1)CCOCCO 2230a_100025706717_100011215305 [0,0,1,1,0,0|1,0,0]=3 1815 B14R1.1253 CC1CCCN(CC1)CCOCCO 269982a_100025706717_100011215305 [0,0,1,1,0,0|1,0,0]=3 1816 B14R1.1253 CC1CCCN(CC1)CCOCCO 34a_100025706717_100000692535 [0,0,1,1,0,0|1,0,0]=3 1817 B14R1.1253 CCCOCCN1CCCC(CC1)C 2230a_100025706717_100011215938 [0,0,1,1,0,0|2,0,0]=4 1818 B14R1.1253 CCCOCCN1CCCC(CC1)C 269982a_100025706717_100011215938 [0,0,1,1,0,0|2,0,0]=4 1819 B14R1.1253 CCCOCCN1CCCC(CC1)C 34a_100025706717_100011215938 [0,0,1,1,0,0|2,0,0]=4 1820 B14R1.1253 CN1CCCN(CC1)CCOCCO 2230a_100000211313_100011215305 [0,0,1,1,0,0|2,0,0]=4 1821 B14R1.1253 CN1CCCN(CC1)CCOCCO 269982a_100000211313_100011215305 [0,0,1,1,0,0|2,0,0]=4 1822 B14R1.1253 OCCOCCN1CCCC(CC1)O 2230a_100015186869_100011215305 [0,0,1,1,0,0|2,0,0]=4 1823 B14R1.1253 OCCOCCN1CCCC(CC1)O 269982a_100015186869_100011215305 [0,0,1,1,0,0|2,0,0]=4 1824 B14R1.1258 CC(C)CC1CN(C1)CCCCCO 2230a_214813039686_100000746330 [0,0,1,1,0,0|2,0,0]=4 1825 B14R1.1258 CC(C)CC1CN(C1)CCCCCO 269982a_214813039686_100000746330 [0,0,1,1,0,0|2,0,0]=4 1826 B14R1.1258 CC(C)CC1CN(C1)CCCCCO 34a_214813039686_100000746330 [0,0,1,1,0,0|2,0,0]=4 1827 B14R1.1258 CC(C)CC1CN(C1)CCOCCO 2230a_214813039686_100011215305 [0,0,1,1,0,0|1,0,0]=3 1828 B14R1.1258 CC(C)CC1CN(C1)CCOCCO 269982a_214813039686_100011215305 [0,0,1,1,0,0|1,0,0]=3 1829 B14R1.1258 CC(C)CC1CN(C1)CCOCCO 34a_214813039686_100000692535 [0,0,1,1,0,0|1,0,0]=3 1830 B14R1.1258 CC(C)OC1CN(C1)CCOCCO 2230a_100000698322_100011215305 [0,0,1,1,0,0|2,0,0]=4 1831 B14R1.1258 CC(C)OC1CN(C1)CCOCCO 269982a_100000698322_100011215305 [0,0,1,1,0,0|2,0,0]=4 1832 B14R1.1258 CC(C)OC1CN(C1)CCOCCO 34a_100000698322_100000692535 [0,0,1,1,0,0|2,0,0]=4 1833 B14R1.1258 CCCOCCN1CC(C1)CC(C)C 2230a_214813039686_100011215938 [0,0,1,1,0,0|2,0,0]=4 1834 B14R1.1258 CCCOCCN1CC(C1)CC(C)C 269982a_214813039686_100011215938 [0,0,1,1,0,0|2,0,0]=4 1835 B14R1.1258 CCCOCCN1CC(C1)CC(C)C 34a_214813039686_100011215938 [0,0,1,1,0,0|2,0,0]=4 1836 B14R1.1258 CN(C)CC1CN(C1)CCOCCO 269982a_100015199603_100011215305 [0,0,1,1,0,0|2,0,0]=4 1837 B14R1.1469 CC(C)CCCC(C)CCN1CCC1 269982a_100000754969_100009816328 [0,0,1,1,0,0|2,0,0]=4 1838 B14R1.1469 CC(C)CCCC(C)NCC1CCO1 2230a_100000210607_100000103362 [0,0,1,1,0,0|2,0,0]=4 1839 B14R1.1469 CC(C)CCCC(C)NC[C@@H]1CCO1 270004a_100020831831_100000753411 [0,0,1,1,0,0|2,0,0]=4 1840 B14R1.1469 CC(C)CCCC(C)OCC1CCO1 34a_200011218570_100000103362 [0,0,1,1,0,0|2,0,0]=4 1841 B14R1.1469 CC(C)CCCC(C)OCC1CCO1 7a_200011218570_100000103362 [0,0,1,1,0,0|2,0,0]=4 1842 B14R1.1470 CC(C)CCCC(C)CCNC1CC1 34a_100000212008_100009816328 [0,0,1,1,0,0|2,0,0]=4 1843 B14R1.1470 CC(C)CCCC(C)CCOC1CC1 34a_100000015991_100000211595 [0,0,1,1,0,0|1,0,0]=3 1844 B14R1.1470 CC(C)CCCC(C)CCSC1CC1 62a_100009816328_100000211595 [0,0,1,1,0,0|1,1,0]=4 1845 B14R1.1470 CC(C)CCCC(C)NCCC1CO1 2230a_100000210607_100000732470 [0,0,1,1,0,0|2,0,0]=4 1846 B14R1.1470 CC(C)CCCC(C)OCCC1CO1 34a_200011218570_100000732470 [0,0,1,1,0,0|2,0,0]=4 1847 B14R1.1470 CC(C)CCCC(C)OCCC1CO1 7a_200011218570_100000732470 [0,0,1,1,0,0|2,0,0]=4 1848 B14R1.3685 CN(CCCC1CO1)CCOCCO 2230a_100000228057_100000733510 [0,0,1,1,0,0|2,0,0]=4 1849 B14R1.3685 CN(CCCC1CO1)CCOCCO 269982a_100000228057_100000733510 [0,0,1,1,0,0|2,0,0]=4 1850 B14R1.4898 CC(C)CCCN1CCCCC(C1)O 2230a_100025706797_100011214892 [0,0,1,1,0,0|2,0,0]=4 1851 B14R1.4898 CC(C)CCCN1CCCCC(C1)O 269982a_100025706797_100011214892 [0,0,1,1,0,0|2,0,0]=4 1852 B14R1.4898 CC(C)CCCN1CCOC[C@@H](C1)O 2230a_100016073750_100011214892 [0,0,1,1,0,0|1,0,0]=3 1853 B14R1.4898 CC(C)CCCN1CCOC[C@@H](C1)O 269982a_100016073750_100011214892 [0,0,1,1,0,0|1,0,0]=3 1854 B14R1.4898 CC(C)OCCN1CCOC[C@@H](C1)O 2230a_100016073750_100000211751 [0,0,1,1,0,0|2,0,0]=4 1855 B14R1.4898 CC(C)OCCN1CCOC[C@@H](C1)O 269982a_100016073750_100000211751 [0,0,1,1,0,0|2,0,0]=4 1856 B14R1.4898 CC(C)SCCN1CCOC[C@@H](C1)O 2230a_100016073750_100000730970 [0,0,1,1,0,0|2,0,0]=4 1857 B14R1.4898 CC(C)SCCN1CCOC[C@@H](C1)O 269982a_100016073750_100000730970 [0,0,1,1,0,0|2,0,0]=4 1858 B14R1.4898 CC(O)CCCN1CCOC[C@@H](C1)O 2230a_100016073750_200000718107 [0,0,1,1,0,0|2,0,0]=4 1859 B14R1.4898 CC(O)CCCN1CCOC[C@@H](C1)O 269982a_100016073750_200000718107 [0,0,1,1,0,0|2,0,0]=4 1860 B14R1.4898 CN(C)CCCN1CCOC[C@@H](C1)O 269982a_100016073750_100000757444 [0,0,1,1,0,0|2,0,0]=4 1861 B14R1.6694 CC1(CCCC(C1)NCCCCO)C 270004a_100000750430_100000031663 [0,0,1,1,0,0|2,0,0]=4 1862 B14R1.6694 CC1(CCCC(C1)OCCCCO)C 7a_100011995757_100000210776 [0,0,1,1,0,0|2,0,0]=4 1863 B14R1.6694 CC1(CCCN(C1)CCCCCO)C 2230a_100000716857_100000746330 [0,0,1,1,0,0|2,0,0]=4 1864 B14R1.6694 CC1(CCCN(C1)CCCCCO)C 269982a_100000716857_100000746330 [0,0,1,1,0,0|2,0,0]=4 1865 B14R1.6694 CC1(CCCN(C1)CCCCCO)C 34a_100000716857_100000746330 [0,0,1,1,0,0|2,0,0]=4 1866 B14R1.6694 CC1(CCCN(C1)CCOCCO)C 2230a_100000716857_100011215305 [0,0,1,1,0,0|1,0,0]=3 1867 B14R1.6694 CC1(CCCN(C1)CCOCCO)C 269982a_100000716857_100011215305 [0,0,1,1,0,0|1,0,0]=3 1868 B14R1.6694 CC1(CCCN(C1)CCOCCO)C 34a_100000716857_100000692535 [0,0,1,1,0,0|1,0,0]=3 1869 B14R1.6694 CC1(CCCN(C1)CCOCCO)O 2230a_100000695535_100011215305 [0,0,1,1,0,0|2,0,0]=4 1870 B14R1.6694 CC1(CCCN(C1)CCOCCO)O 269982a_100000695535_100011215305 [0,0,1,1,0,0|2,0,0]=4 1871 B14R1.6694 CC1(CN(CCO1)CCOCCO)C 2230a_100000738910_100011215305 [0,0,1,1,0,0|2,0,0]=4 1872 B14R1.6694 CC1(CN(CCO1)CCOCCO)C 269982a_100000738910_100011215305 [0,0,1,1,0,0|2,0,0]=4 1873 B14R1.6694 CC1(CN(CCO1)CCOCCO)C 34a_100000738910_100000692535 [0,0,1,1,0,0|2,0,0]=4 1874 B14R1.6694 CCCOCCN1CCCC(C1)(C)C 2230a_100000716857_100011215938 [0,0,1,1,0,0|2,0,0]=4 1875 B14R1.6694 CCCOCCN1CCCC(C1)(C)C 269982a_100000716857_100011215938 [0,0,1,1,0,0|2,0,0]=4 1876 B14R1.6694 CCCOCCN1CCCC(C1)(C)C 34a_100000716857_100011215938 [0,0,1,1,0,0|2,0,0]=4 1877 B14R1.80 CCC(C(C)C)N1CCCC(C1)CO 270004a_100000211344_100000210600 [0,0,1,1,0,0|2,0,0]=4 1878 B14R1.651 CC(C)C1CCCCCN1CCCO 2230a_100000697956_100000230001 [0,0,1,1,0,0|2,0,0]=4 1879 B14R1.651 CC(C)C1CCCCCN1CCCO 269982a_100000697956_100011215043 [0,0,1,1,0,0|2,0,0]=4 1880 B14R1.651 CC(C)C1CCCCCN1CCCO 34a_100000697956_100000230001 [0,0,1,1,0,0|2,0,0]=4 1881 B14R1.10480 CCC(C(C)C)N1CCCC(CC1)O 270004a_100015186869_100000210600 [0,0,1,1,0,0|2,0,0]=4 1882 B14R1.378 CCC(C)CN1CC(CC(C1)CO)C 2230a_200012821172_100000748023 [0,0,1,1,0,0|2,0,0]=4 1883 B14R1.378 CCC(C)CN1CC(CC(C1)CO)C 269982a_200012821172_100000748023 [0,0,1,1,0,0|2,0,0]=4 1884 B14R1.378 CCC(C)CN1CC(CC(C1)CO)C 270004a_200012821172_100000243153 [0,0,1,1,0,0|2,0,0]=4 1885 B14R1.378 CCC(C)CN1CC(CC(C1)CO)C 34a_200012821172_100000748023 [0,0,1,1,0,0|2,0,0]=4 1886 B14R1.378 CC[C@H](C)CN1CC(CC(C1)CO)C 2230a_200012821172_100009816398 [0,0,1,1,0,0|2,0,0]=4 1887 B14R1.378 CC[C@H](C)CN1CC(CC(C1)CO)C 269982a_200012821172_100009816398 [0,0,1,1,0,0|2,0,0]=4 1888 B14R1.378 CC[C@H](C)CN1CC(CC(C1)CO)C 34a_200012821172_100009816398 [0,0,1,1,0,0|2,0,0]=4 1889 B14R1.8825 CCC(C)CN1CCC(C(C1)(C)C)O 2230a_100000709803_100000748023 [0,0,1,1,0,0|2,0,0]=4 1890 B14R1.8825 CCC(C)CN1CCC(C(C1)(C)C)O 269982a_100000709803_100000748023 [0,0,1,1,0,0|2,0,0]=4 1891 B14R1.8825 CCC(C)CN1CCC(C(C1)(C)C)O 270004a_100000709803_100000243153 [0,0,1,1,0,0|2,0,0]=4 1892 B14R1.8825 CCC(C)CN1CCC(C(C1)(C)C)O 34a_100000709803_100000748023 [0,0,1,1,0,0|2,0,0]=4 1893 B14R1.8825 CCC(C)N[C@H]1CC[C@@H](C(C1)(C)C)O 2230a_206256553148_100000758301 [0,0,1,1,0,0|2,0,0]=4 1894 B14R1.8825 CC[C@H](C)CN1CCC(C(C1)(C)C)O 2230a_100000709803_100009816398 [0,0,1,1,0,0|2,0,0]=4 1895 B14R1.8825 CC[C@H](C)CN1CCC(C(C1)(C)C)O 269982a_100000709803_100009816398 [0,0,1,1,0,0|2,0,0]=4 1896 B14R1.8825 CC[C@H](C)CN1CCC(C(C1)(C)C)O 34a_100000709803_100009816398 [0,0,1,1,0,0|2,0,0]=4 1897 B14R1.3089 CC(C)CCN(CCCCO)C1CC1 2230a_100000737065_100000210776 [0,0,1,1,0,0|2,0,0]=4 1898 B14R1.3089 CC(C)CCN(CCCCO)C1CC1 269982a_100000737065_100000210776 [0,0,1,1,0,0|2,0,0]=4 1899 B14R1.3096 CC(C)N(CCCCO)CCC1CC1 2230a_100011521146_100000694398 [0,0,1,1,0,0|2,0,0]=4 1900 B14R1.3096 CC(C)N(CCCCO)CCC1CC1 269982a_100011521146_100000694398 [0,0,1,1,0,0|2,0,0]=4 1901 B14R1.172 CCCCC(C(C)C)N1CCC(C1)O 270004a_100011215560_200011215219 [0,0,1,1,0,0|2,0,0]=4 1902 B14R1.172 CCCCN(C(C)C)C1CCC(C1)O 270004a_100000207398_100012614533 [0,0,1,1,0,0|2,0,0]=4 1903 B14R1.178 CCCCC(C(C)C)N1CCCOC1 270004a_100000131196_200011215219 [0,0,1,1,0,0|2,0,0]=4 1904 B14R1.178 CCCCN(C(C)C)C1CCCOC1 269982a_100000207398_100000693364 [0,0,1,1,0,0|2,0,0]=4 1905 B14R1.178 CCCCN(C(C)C)C1CCCOC1 270004a_100000207398_100000753404 [0,0,1,1,0,0|2,0,0]=4 1906 B14R1.1316 CCCCN(C(C)C)C1CC(C1)CO 269982a_100000207398_100009874164 [0,0,1,1,0,0|2,0,0]=4 1907 B14R1.1316 CCCCN(C(C)C)C1CC(C1)CO 270004a_100000207398_100000101936 [0,0,1,1,0,0|2,0,0]=4 1908 B14R2.6942 CCO[C@H]1C=C([C@@H]2C[C@H]1C2(C)C)C 34a_200016078237_100000210202 [1,0,0,1,0,0|0,0,2]=4 1909 B14R2.6942 CCO[C@H]1C=C([C@@H]2C[C@H]1C2(C)C)C 7a_200016078237_100000210202 [1,0,0,1,0,0|0,0,2]=4 1910 B14R2.54 CC(=O)C1CCCCC12OCCO2 1458a_100009908357_200000210301 [1,0,0,1,0,0|1,0,1]=4 1911 B14R2.54 [13CH3]C(=O)C1CCCCC12OCCO2 1458a_100009908357_200025704644 [1,0,0,1,0,0|1,0,1]=4 1912 B14R2.868 OCCCC1CCCCN1C2CC2 269982a_100011934581_100000211595 [1,0,0,1,0,0|2,0,0]=4 1913 B14R2.868 OCCCC1CCCCN1C2CC2 34a_100011934581_100000211595 [1,0,0,1,0,0|2,0,0]=4 1914 B14R2.9513 CC(C)C1CCCCC1OC2CC2 34a_100011709184_100000211595 [1,0,0,1,0,0|1,0,0]=3 1915 B14R2.9513 CC(C)C1CCCCN1CC2CO2 2230a_100000757267_100011216344 [1,0,0,1,0,0|2,0,0]=4 1916 B14R2.9513 CC(C)C1CCCCN1CC2CO2 269982a_100000757267_102125554688 [1,0,0,1,0,0|2,0,0]=4 1917 B14R2.9513 CC(C)C1CCCCN1CC2CO2 34a_100000757267_102125554688 [1,0,0,1,0,0|2,0,0]=4 1918 B14R2.9513 CC(C)C1CCCCN1C[C@@H]2CO2 269982a_100000757267_100000745022 [1,0,0,1,0,0|2,0,0]=4 1919 B16R2.2994 CC(C)[C@H]1CC[C@@H](C[C@@H]1N2CCCC2)C 269982a_100000188435_200009893639 [0,1,0,1,0,0|2,0,0]=4 1920 B16R2.2994 CC(C)[C@H]1CC[C@@H](C[C@@H]1N2CCSC2)C 269982a_100011215254_200009893639 [0,1,0,1,0,0|1,1,0]=4 1921 B16R2.12620 CC(C)[C@H]1CC[C@@H](C[C@@H]1N2CC(C2)F)C 269982a_100000690557_200009893639 [0,1,0,1,0,0|2,0,0]=4 1922 B16R2.12620 CC(C)[C@H]1CC[C@@H](C[C@@H]1N2CC(C2)F)C 34a_100000690557_200009893639 [0,1,0,1,0,0|2,0,0]=4 1923 B16R2.12620 CC(C)[C@H]1CC[C@@H](C[C@@H]1N2CC(C2)O)C 269982a_100000749847_200009893639 [0,1,0,1,0,0|1,0,0]=3 1924 B16R2.12620 CC1CN(C1)[C@H]2C[C@H](CC[C@@H]2C(C)C)C 269982a_100000702820_200009893639 [0,1,0,1,0,0|2,0,0]=4 1925 B16R2.12620 CC1CN(C1)[C@H]2C[C@H](CC[C@@H]2C(C)C)C 34a_100000702820_200009893639 [0,1,0,1,0,0|2,0,0]=4 1926 B16R2.138127 CC(C)[C@H]1CC[C@@H](C[C@@H]1C(=O)C2CC2)C 1458a_100000210395_200009893639 [0,1,0,1,0,0|2,0,0]=4 1927 B16R2.138127 CC(C)[C@H]1CC[C@@H](C[C@@H]1C(=O)C2CO2)C 1458a_100000701028_200009893639 [0,1,0,1,0,0|1,0,0]=3 1928 B16R2.138127 CC(C)[C@H]1CC[C@@H](C[C@@H]1N(C)C2CC2)C 269982a_100000226674_200009893639 [0,1,0,1,0,0|2,0,0]=4 1929 B16R2.12618 CC(C)[C@H]1CC[C@@H](C[C@@H]1N2CCC2C)C 269982a_100000755817_200009893639 [0,1,0,1,0,0|2,0,0]=4 1930 B16R2.12618 CC(C)[C@H]1CC[C@@H](C[C@@H]1N2CCC2C)C 34a_100000755817_200009893639 [0,1,0,1,0,0|2,0,0]=4 1931 B16R2.12625 C=C(C)[C@@H]1CC[C@H](C[C@H]1OCC2CO2)C 34a_100016197468_102125554688 [0,1,0,1,0,0|0,0,2]=4 1932 B16R2.12625 C=C(C)[C@@H]1CC[C@H](C[C@H]1OCC2CO2)C 7a_100016197468_102125554688 [0,1,0,1,0,0|0,0,2]=4 1933 B16R2.12625 C=C(C)[C@@H]1CC[C@H](C[C@H]1OC[C@@H]2CO2)C 7a_100016197468_100000745022 [0,1,0,1,0,0|0,0,2]=4 1934 B16R2.12625 CC(C)[C@@H]1CC[C@H](C[C@H]1NCC2CC2)C 2230a_100025773825_100000742324 [0,1,0,1,0,0|2,0,0]=4 1935 B16R2.12625 CC(C)[C@@H]1CC[C@H](C[C@H]1NCC2CC2)C 269862a_100025773825_100000741477 [0,1,0,1,0,0|2,0,0]=4 1936 B16R2.12625 CC(C)[C@@H]1CC[C@H](C[C@H]1NCC2CC2)C 34a_100025773825_100000742324 [0,1,0,1,0,0|2,0,0]=4 1937 B16R2.12625 CC(C)[C@@H]1CC[C@H](C[C@H]1NCC2CO2)C 2230a_100025773825_100011216344 [0,1,0,1,0,0|1,0,0]=3 1938 B16R2.12625 CC(C)[C@@H]1CC[C@H](C[C@H]1NCC2CO2)C 34a_100025773825_102125554688 [0,1,0,1,0,0|1,0,0]=3 1939 B16R2.12625 CC(C)[C@H]1CC[C@@H](C[C@@H]1NCC2CC2)C 34a_100000735609_200009893639 [0,1,0,1,0,0|2,0,0]=4 1940 B16R2.12625 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC2CC2)C 34a_100000211283_200009893639 [0,1,0,1,0,0|1,0,0]=3 1941 B16R2.12625 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC2CC2)C 34a_100000763588_100000742324 [0,1,0,1,0,0|1,0,0]=3 1942 B16R2.12625 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC2CC2)C 7a_100000763588_100000742324 [0,1,0,1,0,0|1,0,0]=3 1943 B16R2.12625 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC2CO2)C 34a_100000763588_102125554688 [0,1,0,1,0,0|0,0,0]=2 1944 B16R2.12625 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC2CO2)C 7a_100000763588_102125554688 [0,1,0,1,0,0|0,0,0]=2 1945 B16R2.12625 CC(C)[C@H]1CC[C@@H](C[C@@H]1OCC2CS2)C 7a_100000763588_100000031435 [0,1,0,1,0,0|0,1,0]=3 1946 B16R2.12625 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC[C@@H]2CO2)C 34a_100000757423_200009893639 [0,1,0,1,0,0|0,0,0]=2 1947 B16R2.12625 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC[C@@H]2CO2)C 7a_100000763588_100000745022 [0,1,0,1,0,0|0,0,0]=2 1948 B16R2.12625 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCC2CC2)C 62a_100000756562_200009893639 [0,1,0,1,0,0|1,1,0]=4 1949 B16R2.12625 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCC2CC2)C 62a_200009893639_100000742324 [0,1,0,1,0,0|1,1,0]=4 1950 B16R2.12625 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCC2CO2)C 62a_102125554688_200009893639 [0,1,0,1,0,0|0,1,0]=3 1951 B16R2.12625 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCC2CO2)C 62a_200009893639_102125554688 [0,1,0,1,0,0|0,1,0]=3 1952 B16R2.12625 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCC2CS2)C 62a_100000031435_200009893639 [0,1,0,1,0,0|0,2,0]=4 1953 B16R2.12625 CC(C)[C@H]1CC[C@@H](C[C@@H]1SCC2CS2)C 62a_200009893639_100000031435 [0,1,0,1,0,0|0,2,0]=4 1954 B16R2.12625 CC(C)[C@H]1CC[C@@H](C[C@@H]1SC[C@@H]2CO2)C 62a_100000745022_200009893639 [0,1,0,1,0,0|0,1,0]=3 1955 B16R2.12625 CC(C)[C@H]1CC[C@@H](C[C@@H]1SC[C@@H]2CO2)C 62a_200009893639_100000745022 [0,1,0,1,0,0|0,1,0]=3 1956 B16R2.12666 CC(C)[C@H]1CC[C@@H](C[C@@H]1N[C@@H]2C[C@H]2F)C 34a_100025746932_200009893639 [0,1,0,1,0,0|2,0,0]=4 1957 B16R2.50193 CC1=C[C@@H]([C@H]2C[C@@H]1C2(C)C)OCCCO 34a_200016078237_100000230001 [0,1,0,1,0,0|0,0,2]=4 1958 B16R2.50193 CC1=C[C@@H]([C@H]2C[C@@H]1C2(C)C)OCCCO 7a_200016078237_100011215043 [0,1,0,1,0,0|0,0,2]=4 1959 B16R2.50193 COCCO[C@H]1C=C([C@@H]2C[C@H]1C2(C)C)C 34a_200016078237_100011201679 [0,1,0,1,0,0|0,0,2]=4 1960 B16R2.50193 COCCO[C@H]1C=C([C@@H]2C[C@H]1C2(C)C)C 7a_200016078237_100000233755 [0,1,0,1,0,0|0,0,2]=4 1961 B16R2.84546 C=C(C)[C@@H]1CC[C@H](C[C@H]1OC2COC2)C 34a_100016197468_100009818527 [0,1,0,1,0,0|0,0,2]=4 1962 B16R2.84546 C=C(C)[C@@H]1CC[C@H](C[C@H]1OC2COC2)C 7a_100016197468_100009818527 [0,1,0,1,0,0|0,0,2]=4 1963 B16R2.84546 CC(C)[C@@H]1CC[C@H](CC1NC2CCC2)C 269862a_100000749019_100009815803 [0,1,0,1,0,0|2,0,0]=4 1964 B16R2.84546 CC(C)[C@@H]1CC[C@H](CC1NC2COC2)C 269862a_100016991112_100009815803 [0,1,0,1,0,0|1,0,0]=3 1965 B16R2.84546 CC(C)[C@@H]1CC[C@H](CC1NC2CSC2)C 269862a_100016994217_100009815803 [0,1,0,1,0,0|1,1,0]=4 1966 B16R2.84546 CC(C)[C@@H]1CC[C@H](C[C@H]1NC2CCC2)C 270004a_100025773825_100000241760 [0,1,0,1,0,0|2,0,0]=4 1967 B16R2.84546 CC(C)[C@@H]1CC[C@H](C[C@H]1NC2CCC2)C 34a_100025773825_100000749161 [0,1,0,1,0,0|2,0,0]=4 1968 B16R2.84546 CC(C)[C@@H]1CC[C@H](C[C@H]1NC2COC2)C 34a_100025773825_100009818527 [0,1,0,1,0,0|1,0,0]=3 1969 B16R2.84546 CC(C)[C@H]1CC[C@@H](C[C@@H]1NC2CCC2)C 34a_100000749019_200009893639 [0,1,0,1,0,0|2,0,0]=4 1970 B16R2.84546 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC2CCC2)C 34a_100000748187_200009893639 [0,1,0,1,0,0|1,0,0]=3 1971 B16R2.84546 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC2CCC2)C 34a_100000763588_100000749161 [0,1,0,1,0,0|1,0,0]=3 1972 B16R2.84546 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC2COC2)C 34a_100000763588_100009818527 [0,1,0,1,0,0|0,0,0]=2 1973 B16R2.84546 CC(C)[C@H]1CC[C@@H](C[C@@H]1OC2COC2)C 7a_100000763588_100009818527 [0,1,0,1,0,0|0,0,0]=2 1974 B16R2.84546 CC(C)[C@H]1CC[C@@H](C[C@@H]1SC2CCC2)C 62a_200009893639_100000749161 [0,1,0,1,0,0|1,1,0]=4 1975 B16R2.84546 CC(C)[C@H]1CC[C@@H](C[C@@H]1SC2COC2)C 62a_200009893639_100009818527 [0,1,0,1,0,0|0,1,0]=3 1976 B16R2.170299 CC1=C[C@@H]([C@H]2C[C@@H]1C2(C)C)OC(C)CO 34a_200016078237_100012180447 [0,1,0,1,0,0|0,0,2]=4 1977 B16R2.170299 CC1=C[C@@H]([C@H]2C[C@@H]1C2(C)C)OC(C)CO 7a_200016078237_100012180447 [0,1,0,1,0,0|0,0,2]=4 1978 B16R2.103683 CC1=C[C@@H]([C@H]2C[C@@H]1C2(C)C)OCC(C)O 34a_200016078237_100011218427 [0,1,0,1,0,0|0,0,2]=4 1979 B16R2.103683 CC1=C[C@@H]([C@H]2C[C@@H]1C2(C)C)OCC(C)O 7a_200016078237_100011218427 [0,1,0,1,0,0|0,0,2]=4 1980 B16R2.103683 CC1=C[C@@H]([C@H]2C[C@@H]1C2(C)C)OC[C@@H](C)O 34a_200016078237_100009817552 [0,1,0,1,0,0|0,0,2]=4 1981 B16R2.103683 CC1=C[C@@H]([C@H]2C[C@@H]1C2(C)C)OC[C@@H](C)O 7a_200016078237_100009817552 [0,1,0,1,0,0|0,0,2]=4 1982 B16R2.162472 CC12CC[C@@H](C1(C)C)[C@@H](C2=O)NCCO 2230a_100016997473_100015940049 [0,1,0,1,0,0|1,0,1]=4 1983 B16R2.162472 CC12CC[C@@H](C1(C)C)[C@@H](C2=O)NCCO 34a_100016990907_100015940049 [0,1,0,1,0,0|1,0,1]=4 1984 B16R2.162472 CC12CC[C@@H](C1(C)C)[C@@H](C2=O)OCCBr 34a_100000211926_100015940049 [0,1,0,1,0,0|1,0,1]=4 1985 B16R2.162472 CC12CC[C@@H](C1(C)C)[C@@H](C2=O)OCCN 34a_100000210304_100015940049 [0,1,0,1,0,0|1,0,1]=4 1986 B16R2.162472 CC12CC[C@@H](C1(C)C)[C@@H](C2=O)SCCO 62a_100000211926_100015940049 [0,1,0,1,0,0|0,1,1]=4 1987 B16R2.162472 CC12CC[C@@H](C1(C)C)[C@@H](C2=O)SCCO 62a_100015940049_100000211926 [0,1,0,1,0,0|0,1,1]=4 1988 B16R2.162472 CCCO[C@@H]1C(=O)C2(CC[C@H]1C2(C)C)C 34a_100000210258_100015940049 [0,1,0,1,0,0|1,0,1]=4 1989 B12R0.255 CC(C)CCC(=O)CCOCCO 1458a_100000181311_100011215305 [0,0,1,0,1,0|1,0,1]=4 1990 B12R0.255 CC(C)CCC(=O)CCOCCO 1458a_100011229844_100000210312 [0,0,1,0,1,0|1,0,1]=4 1991 B12R0.255 CC(C)CCC(C)NCCCCO 2230a_100000750430_100011261404 [0,0,1,0,1,0|2,0,0]=4 1992 B12R0.255 CC(C)CCC(C)NCCCCO 2230a_100138410893_100000210776 [0,0,1,0,1,0|2,0,0]=4 1993 B12R0.255 CC(C)CCC(C)NCCCCO 270004a_100000750430_100000210476 [0,0,1,0,1,0|2,0,0]=4 1994 B12R0.255 CC(C)CCC(C)NCCCCO 34a_100000750430_100011261404 [0,0,1,0,1,0|2,0,0]=4 1995 B12R0.255 CC(C)CCC(C)OCCCCO 34a_100011215350_100011216708 [0,0,1,0,1,0|2,0,0]=4 1996 B12R0.255 CC(C)CCC(C)OCCCCO 7a_100011215350_100000210776 [0,0,1,0,1,0|2,0,0]=4 1997 B12R0.255 CC(C)CCC(C)SCCCCO 62a_100000210776_100011261404 [0,0,1,0,1,0|2,0,0]=4 1998 B12R0.255 CC(C)CCC(C)SCCCCO 62a_100011261404_100000210776 [0,0,1,0,1,0|2,0,0]=4 1999 B12R0.255 CC(C)CCN(C)CCCCCO 2230a_100000722520_100000210312 [0,0,1,0,1,0|2,0,0]=4 2000 B12R0.255 CC(C)CCN(C)CCCCCO 2230a_100000742789_100000746330 [0,0,1,0,1,0|2,0,0]=4 2001 B12R0.255 CC(C)CCN(C)CCCCCO 269982a_100000722520_100000210312 [0,0,1,0,1,0|2,0,0]=4 2002 B12R0.255 CC(C)CCN(C)CCCCCO 269982a_100000742789_100000746330 [0,0,1,0,1,0|2,0,0]=4 2003 B12R0.255 CC(C)CCN(C)CCOCCO 2230a_100000228057_100000210312 [0,0,1,0,1,0|1,0,0]=3 2004 B12R0.255 CC(C)CCN(C)CCOCCO 2230a_100000742789_100011215305 [0,0,1,0,1,0|1,0,0]=3 2005 B12R0.255 CC(C)CCN(C)CCOCCO 269982a_100000228057_100000210312 [0,0,1,0,1,0|1,0,0]=3 2006 B12R0.255 CC(C)CCN(C)CCOCCO 269982a_100000742789_100011215305 [0,0,1,0,1,0|1,0,0]=3 2007 B12R0.255 CC(C)OCN(C)CCOCCO 2230a_100000228057_100000709892 [0,0,1,0,1,0|2,0,0]=4 2008 B12R0.255 CC(C)OCN(C)CCOCCO 269982a_100000228057_100000709892 [0,0,1,0,1,0|2,0,0]=4 2009 B12R0.255 CC(O)CCN(C)CCOCCO 2230a_100000228057_100012276601 [0,0,1,0,1,0|2,0,0]=4 2010 B12R0.255 CC(O)CCN(C)CCOCCO 269982a_100000228057_100012276601 [0,0,1,0,1,0|2,0,0]=4 2011 B12R0.255 CCCOCCN(C)CCC(C)C 2230a_100000742789_100011215938 [0,0,1,0,1,0|2,0,0]=4 2012 B12R0.255 CCCOCCN(C)CCC(C)C 269982a_100000742789_100011215938 [0,0,1,0,1,0|2,0,0]=4 2013 B12R0.255 CN(C)CCN(C)CCOCCO 269982a_100000225618_100011215305 [0,0,1,0,1,0|2,0,0]=4 2014 B12R0.255 CN(C)CCN(C)CCOCCO 269982a_100000228057_100000755713 [0,0,1,0,1,0|2,0,0]=4 2015 B12R0.129 CCC(C)CN(CCCO)C(C)C 2230a_100000182298_100000748023 [0,0,1,0,1,0|2,0,0]=4 2016 B12R0.129 CCC(C)CN(CCCO)C(C)C 269982a_100000182298_100000748023 [0,0,1,0,1,0|2,0,0]=4 2017 B12R0.129 CCC(C)CN(CCCO)C(C)C 270004a_100000182298_100000243153 [0,0,1,0,1,0|2,0,0]=4 2018 B12R0.129 CC[C@H](C)CN(CCCO)C(C)C 2230a_100000182298_100009816398 [0,0,1,0,1,0|2,0,0]=4 2019 B12R0.129 CC[C@H](C)CN(CCCO)C(C)C 269982a_100000182298_100009816398 [0,0,1,0,1,0|2,0,0]=4 2020 B12R0.120 CC(C)CC(OCCCO)C(C)C 34a_200011219802_100000230001 [0,0,1,0,1,0|2,0,0]=4 2021 B12R0.120 CC(C)CC(OCCCO)C(C)C 7a_200011219802_100011215043 [0,0,1,0,1,0|2,0,0]=4 2022 B12R0.120 CC(C)CN(CCCCO)C(C)C 2230a_100000737641_100000210776 [0,0,1,0,1,0|2,0,0]=4 2023 B12R0.120 CC(C)CN(CCCCO)C(C)C 2230a_100011521146_100000210760 [0,0,1,0,1,0|2,0,0]=4 2024 B12R0.120 CC(C)CN(CCCCO)C(C)C 269982a_100000737641_100000210776 [0,0,1,0,1,0|2,0,0]=4 2025 B12R0.120 CC(C)CN(CCCCO)C(C)C 269982a_100011521146_100000210624 [0,0,1,0,1,0|2,0,0]=4 2026 B12R0.120 CC(C)CN(CCCCO)C(C)C 270004a_100011521146_100000210432 [0,0,1,0,1,0|2,0,0]=4 2027 B12R1.386 CC(C)C1CCCN1CCCO 2230a_100000762757_100000230001 [1,0,0,0,1,0|2,0,0]=4 2028 B12R1.386 CC(C)C1CCCN1CCCO 269982a_100000762757_100011215043 [1,0,0,0,1,0|2,0,0]=4 2029 B12R1.386 CC(C)C1CCCN1CCCO 34a_100000762757_100000230001 [1,0,0,0,1,0|2,0,0]=4 2030 B14R0.2224 CC(C)CCCCC(=O)CCOCCO 1458a_100011229844_100011216152 [0,0,1,0,0,1|1,0,1]=4 2031 B14R0.2224 CC(C)CCCCC(=O)CCOCCO 1458a_100011933920_100011215305 [0,0,1,0,0,1|1,0,1]=4 2032 B14R0.2224 CC(C)CCCCN(C)CCCCCO 2230a_100000722520_100011216152 [0,0,1,0,0,1|2,0,0]=4 2033 B14R0.2224 CC(C)CCCCN(C)CCCCCO 269982a_100000722520_100011216152 [0,0,1,0,0,1|2,0,0]=4 2034 B14R0.2224 CC(C)CCCCN(C)CCOCCO 2230a_100000228057_100011216152 [0,0,1,0,0,1|1,0,0]=3 2035 B14R0.2224 CC(C)CCCCN(C)CCOCCO 269982a_100000228057_100011216152 [0,0,1,0,0,1|1,0,0]=3 2036 B14R0.2224 CC(C)CCCNC(=O)CCOCCO 1626a_200000737386_100011229844 [0,0,1,0,0,1|1,0,1]=4 2037 B14R0.2224 CC(C)CCCNC(=O)CCOCCO 240690a_200000737386_100011229844 [0,0,1,0,0,1|1,0,1]=4 2038 B14R0.2224 CC(C)COCCC(C)NCCCCO 270004a_100000750430_200011216429 [0,0,1,0,0,1|2,0,0]=4 2039 B14R0.2224 CCCCCCC(C)CCOCC(C)C 34a_200011024964_100000210624 [0,0,1,0,0,1|2,0,0]=4 2040 B14R0.2224 CCCCCCC(C)CCOCC(C)C 7a_200011024964_100000210760 [0,0,1,0,0,1|2,0,0]=4 2041 B14R0.2224 CCCCCCC(C)NCCCC(C)C 2230a_100000210919_100011214892 [0,0,1,0,0,1|2,0,0]=4 2042 B14R0.2224 CCCCCCC(C)NCCCC(C)C 2230a_200000737386_100011215978 [0,0,1,0,0,1|2,0,0]=4 2043 B14R0.2224 CCCCCCC(C)NCCCC(C)C 270004a_200000737386_100000210826 [0,0,1,0,0,1|2,0,0]=4 2044 B14R0.2224 CCCCCCC(C)NCCCC(C)C 34a_100000210919_100011214892 [0,0,1,0,0,1|2,0,0]=4 2045 B14R0.2224 CCCCCCC(C)NCCCC(C)C 34a_200000737386_100011215978 [0,0,1,0,0,1|2,0,0]=4 2046 B14R0.2224 CCCCCCC(C)OCCCC(C)C 34a_100000210265_100011214892 [0,0,1,0,0,1|2,0,0]=4 2047 B14R0.2224 CCCCCCC(C)OCCCC(C)C 34a_100000210774_100011215978 [0,0,1,0,0,1|2,0,0]=4 2048 B14R0.2224 CCCCCCC(C)OCCCC(C)C 7a_100000210265_100011214892 [0,0,1,0,0,1|2,0,0]=4 2049 B14R0.2224 CCCCCCC(C)OCCCC(C)C 7a_100000210774_100011215978 [0,0,1,0,0,1|2,0,0]=4 2050 B14R0.2224 CCCCCCC(C)SCCCC(C)C 62a_100011214892_100011215978 [0,0,1,0,0,1|2,0,0]=4 2051 B14R0.2224 CCCCCCC(C)SCCCC(C)C 62a_100011215978_100011214892 [0,0,1,0,0,1|2,0,0]=4 2052 B14R0.2224 CN(C)CCCCN(C)CCOCCO 269982a_100000228057_100000690147 [0,0,1,0,0,1|2,0,0]=4 2053 B14R0.559 CCCCC(CCC)OC(CC)C(C)C 34a_100011218073_100000211913 [0,0,1,0,0,1|2,0,0]=4 2054 B14R0.559 CCCCC(CCC)OC(CC)C(C)C 7a_100011218073_100000211913 [0,0,1,0,0,1|2,0,0]=4 2055 B14R0.1397 CC(C)CC(OCCO)C(=O)OC(C)C 34a_200000039315_100000211926 [0,0,1,0,0,1|1,0,1]=4 2056 B14R0.1397 CC(C)CC(OCCO)C(=O)OC(C)C 7a_200000039315_100000211926 [0,0,1,0,0,1|1,0,1]=4 2057 B14R0.1348 CC(C)CCCN(CCCCO)C(C)C 2230a_100011521146_100011214892 [0,0,1,0,0,1|2,0,0]=4 2058 B14R0.1348 CC(C)CCCN(CCCCO)C(C)C 269982a_100011521146_100011214892 [0,0,1,0,0,1|2,0,0]=4 2059 B14R0.1348 CC(C)OCCN(CCCCO)C(C)C 2230a_100011521146_100000211751 [0,0,1,0,0,1|2,0,0]=4 2060 B14R0.1348 CC(C)OCCN(CCCCO)C(C)C 269982a_100011521146_100000211751 [0,0,1,0,0,1|2,0,0]=4 2061 B14R0.1348 CC(C)SCCN(CCCCO)C(C)C 2230a_100011521146_100000730970 [0,0,1,0,0,1|2,0,0]=4 2062 B14R0.1348 CC(C)SCCN(CCCCO)C(C)C 269982a_100011521146_100000730970 [0,0,1,0,0,1|2,0,0]=4 2063 B14R0.1348 CCCCCC(OCCC(C)C)C(C)C 34a_200011216997_100000210312 [0,0,1,0,0,1|2,0,0]=4 2064 B14R0.1348 CCCCCC(OCCC(C)C)C(C)C 7a_200011216997_100000210626 [0,0,1,0,0,1|2,0,0]=4 2065 B14R0.148 CCCCC(C)NC(CCCC)C(C)C 270004a_100000126638_200011215219 [0,0,1,0,0,1|2,0,0]=4 2066 B14R1.438 CC(C)CN1CCN(CC1CCO)C 2230a_100015187173_200000210301 [1,0,0,0,0,1|2,0,0]=4 2067 B14R1.438 CC(C)CN1CCN(CC1CCO)C 269982a_100015187173_200000210301 [1,0,0,0,0,1|2,0,0]=4 2068 B14R1.438 CC(C)CN1CCN(CC1CCO)C 34a_100015187173_200000210301 [1,0,0,0,0,1|2,0,0]=4 2069 B14R1.438 CC(C)CN1CCN(CC1CCO)[13CH3] 2230a_100015187173_200025704644 [1,0,0,0,0,1|2,0,0]=4 2070 B14R1.438 CC(C)CN1CCN(CC1CCO)[13CH3] 269982a_100015187173_200025704644 [1,0,0,0,0,1|2,0,0]=4 2071 B14R1.438 CC(C)CN1CCN(CC1CCO)[13CH3] 34a_100015187173_200025704644 [1,0,0,0,0,1|2,0,0]=4 2072 B14R1.786 C#CCOC1CCCCC1NC(C)C 34a_100000692356_100000184674 [1,0,0,0,0,1|1,0,1]=4 2073 B14R1.786 C=CCOC1CCCCC1NC(C)C 34a_100000692356_100015514636 [1,0,0,0,0,1|1,0,1]=4 2074 B14R1.786 CC(C)CN1CCCCC1CCCO 2230a_100011934581_100000210760 [1,0,0,0,0,1|2,0,0]=4 2075 B14R1.786 CC(C)CN1CCCCC1CCCO 269982a_100011934581_100000210624 [1,0,0,0,0,1|2,0,0]=4 2076 B14R1.786 CC(C)CN1CCCCC1CCCO 270004a_100011934581_100000210432 [1,0,0,0,0,1|2,0,0]=4 2077 B14R1.786 CC(C)CN1CCCCC1CCCO 34a_100011934581_100000210624 [1,0,0,0,0,1|2,0,0]=4 2078 B14R1.786 CC(C)NC1CCCCC1OCC=O 34a_100000692356_200009817547 [1,0,0,0,0,1|0,0,2]=4 2079 B14R1.786 CC(C)NC1CCCCC1OCCF 34a_100000692356_100011217306 [1,0,0,0,0,1|1,0,0]=3 2080 B14R1.786 CC(C)NC1CCCCC1OCCO 34a_100000692356_100000211926 [1,0,0,0,0,1|0,0,0]=2 2081 B14R1.786 CCCOC1CCCCC1NC(C)C 34a_100000692356_100000210303 [1,0,0,0,0,1|1,0,0]=3 2082 B14R1.786 CSCOC1CCCCC1NC(C)C 34a_100000692356_100011218213 [1,0,0,0,0,1|2,0,0]=4