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-])c1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000006089034 526393677 /nfs/dbraw/zinc/39/36/77/526393677.db2.gz UPWRPIZWKHGRFC-UHFFFAOYSA-N -1 2 465.447 3.781 50 5 JHBALM O=C([O-])c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000008914750 554807918 /nfs/dbraw/zinc/80/79/18/554807918.db2.gz LTWYLEHAQYYVSL-UHFFFAOYSA-N -1 2 465.447 3.781 50 5 JHBALM