smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNc1[nH]c(=O)[n-]c(=O)c1C(c1ccc([N+](=O)[O-])cc1)c1c(=O)[nH]c(=O)[nH]c1NC	ZINC000034068917	560565480	/nfs/dbraw/zinc/56/54/80/560565480.db2.gz	AKCDDLNOFSROPW-UHFFFAOYSA-N	-1	3	415.366	-0.388	50	5		HBBAHM
COc1ccc(S(=O)(=O)[N-]CCN2CCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1	ZINC000065549476	569234850	/nfs/dbraw/zinc/23/48/50/569234850.db2.gz	HUXCHBBSLHOKKE-UHFFFAOYSA-N	-1	3	422.485	-0.541	50	5		HBBAHM
Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1	ZINC000079074806	569426945	/nfs/dbraw/zinc/42/69/45/569426945.db2.gz	RAOAVSGJVSVARG-UHFFFAOYSA-N	-1	3	408.440	-0.045	50	5		HBBAHM