smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCCCCC[C@@H](C)C(C)(C)C 100014035 BWEUYKNMLNSHIJ-GFCCVEGCSA-N 184.367 5.029 30 40 AKEB C=C(C)CCC[C@H](C)CCCC(C)C 95871127 UGLLTXQVKUBCQI-AWEZNQCLSA-N 196.378 5.195 30 40 AKEB C=C(C)CC(C)(C)CCCCCCC 101105442 FQDUXMOMCUUKIV-UHFFFAOYSA-N 196.378 5.339 30 40 AKEB C=C(C)CCCCCCCCCCC 2560571 VNBHQOHLCULRDN-UHFFFAOYSA-N 196.378 5.483 30 40 AKEB C=C(C)C[C@H](C)CCCCCCCC 101105236 QPKWLEKTIKQOLE-CQSZACIVSA-N 196.378 5.339 30 40 AKEB CCCCCCCCCC[C@@H](C)CC 70455559 NLHRRMKILFRDGV-AWEZNQCLSA-N 198.394 5.563 30 40 AKEB biogenic,in-vitro C=CCCCCCCCCCC(=C)C 95902247 LENYRFPPNWTVBM-UHFFFAOYSA-N 194.362 5.259 30 40 AKEB C=C(CCCCCC)CCCCCC 2528344 QDOYJBSJTHIWKH-UHFFFAOYSA-N 196.378 5.483 30 40 AKEB CCCCCCC[C@H](C)C(C)(C)C 2510819 BWEUYKNMLNSHIJ-LBPRGKRZSA-N 184.367 5.029 30 40 AKEB C=C(C)CCCCCCCCCC 2528313 PWRBDKMPAZFCSV-UHFFFAOYSA-N 182.351 5.093 30 40 AKEB C=C(CCCC)CCCCCCCC 2528345 RMTSLZJISCPGBT-UHFFFAOYSA-N 196.378 5.483 30 40 AKEB CCCCCCCCCCC(C)C 2528314 HGEMCUOAMCILCP-UHFFFAOYSA-N 184.367 5.173 30 40 AKEB endogenous,in-man C=C(C)C[C@@H](C)CCCCCCCC 101105234 QPKWLEKTIKQOLE-AWEZNQCLSA-N 196.378 5.339 30 40 AKEB C=C(C)CCC[C@@H](C)CCCC(C)C 95871128 UGLLTXQVKUBCQI-CQSZACIVSA-N 196.378 5.195 30 40 AKEB CCCCCCCCCC[C@H](C)CC 2563403 NLHRRMKILFRDGV-CQSZACIVSA-N 198.394 5.563 30 40 AKEB CCCCCCCCCCCC(C)C 2560572 CJBFZKZYIPBBTO-UHFFFAOYSA-N 198.394 5.563 30 40 AKEB in-vitro