smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(CS(=O)(=O)[O-])NC(=O)CC[N+]12CC[NH+](CC1)CC2 ZINC000006143660 392662285 /nfs/dbraw/zinc/66/22/85/392662285.db2.gz NMMZQVLRYLZHMN-UHFFFAOYSA-O 1 2 320.435 -0.695 40 5 DBBBLO