smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[n-]c(=O)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c[nH]1 ZINC000010188263 382523582 /nfs/dbraw/zinc/52/35/82/382523582.db2.gz TUBYJPIAZAHMHD-UHFFFAOYSA-N -2 3 312.263 -0.228 40 5 DBBBHL O=c1[n-]c(=O)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000010188264 382524382 /nfs/dbraw/zinc/52/43/82/382524382.db2.gz NZKHOKGEBSZSEB-UHFFFAOYSA-N -2 3 312.263 -0.228 40 5 DBBBHL