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)=CCSCc1csc([N+](=O)[O-])c1 ZINC000446123159 388732464 /nfs/dbraw/zinc/73/24/64/388732464.db2.gz REGJEKDHXVAYRD-UHFFFAOYSA-N 0 2 243.353 3.856 20 5 BHBDLN CC(C)[C@@H](C)SCc1ccc([N+](=O)[O-])cc1 ZINC000463229068 388732438 /nfs/dbraw/zinc/73/24/38/388732438.db2.gz XJFIZGSLIGFRIY-SNVBAGLBSA-N 0 2 239.340 3.873 20 5 BHBDLN