smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1cccc2cc3ccccc3[nH+]c21 ZINC000038293725 343373794 /nfs/dbraw/zinc/37/37/94/343373794.db2.gz NBIUCDPMOWCGIG-UHFFFAOYSA-N 0 2 223.231 3.086 40 5 BGBBLN O=[N+]([O-])c1ccc(O)c2c(Cl)csc21 ZINC000228936664 527371038 /nfs/dbraw/zinc/37/10/38/527371038.db2.gz XMUVJTVEQLFSEO-UHFFFAOYSA-N 0 2 229.644 3.169 40 5 BGBBLN