smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1nc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000776426287 579281372 /nfs/dbraw/zinc/28/13/72/579281372.db2.gz HWMLOBHQMJBGRN-UHFFFAOYSA-N -2 2 342.289 0.533 20 5 ECBDLL O=C([O-])Cn1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC000739920465 579722290 /nfs/dbraw/zinc/72/22/90/579722290.db2.gz OPTVIBFVEZUMFC-UHFFFAOYSA-N -2 2 342.289 0.382 20 5 ECBDLL