smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@@H](O)[C@@H]1OC(C)=O 34363620 USHWODHGXQXCCH-OXGONZEZSA-N 384.341 -0.512 5 30 GBBC in-vitro O=C(CCC(F)([N+](=O)[O-])[N+](=O)[O-])OOC(=O)CCC(F)([N+](=O)[O-])[N+](=O)[O-] 100069778 GPQSXSSHVILAPU-UHFFFAOYSA-N 390.164 -0.098 5 30 GBBC Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 33954542 UUDNPQSIQPUZPU-ZNTRNPIHSA-N 390.352 -0.496 5 30 GBBC O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)nc1N1CCN(CCO)CC1 20223931 UUVQZBZHDLYFNJ-UHFFFAOYSA-N 380.449 -0.782 5 30 GBBC