smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)CNC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000029488477 204901366 /nfs/dbraw/zinc/90/13/66/204901366.db2.gz OQEIVYKPSALGDF-STQMWFEESA-N 1 0 363.374 -1.024 1 5 FABFRO