smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(=O)cc(N2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)n(C)c1=O ZINC000026995682 136153413 /nfs/dbraw/zinc/15/34/13/136153413.db2.gz HABUIUAZDACRKI-UHFFFAOYSA-N 0 1 373.413 0.357 1 5 FCBFMN [NH3+][C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000058553357 208586125 /nfs/dbraw/zinc/58/61/25/208586125.db2.gz VCFJCQNZGQIONF-XHSDSOJGSA-N 0 1 373.365 0.768 1 5 FCBFMN CC[C@H](C)C[C@H](NC(=O)[C@H]([NH3+])[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000062146789 212029831 /nfs/dbraw/zinc/02/98/31/212029831.db2.gz LDGDIMYXMYLBRD-WTDIUWLJSA-N 0 1 353.375 0.961 1 5 FCBFMN