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(NC(=Cc1cccc([N+](=O)[O-])c1)c1nc2c([n-]1)[n-]c(=S)[nH]c2=O)c1ccccc1 ZINC000005545741 562944072 /nfs/dbraw/zinc/94/40/72/562944072.db2.gz GGIBOCMTZLLFAY-UVTDQMKNSA-N -2 3 434.437 2.771 1 5 IFBFHL