smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](N)C(=O)NCC(=O)N1C(=O)CCC(=O)[C@]1(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000064219439 569046321 /nfs/dbraw/zinc/04/63/21/569046321.db2.gz APUJKAWERGNSLR-XTZNXHDOSA-N 0 1 419.394 -0.527 40 5 HBBBMN