smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c21	ZINC000004783151	559061657	/nfs/dbraw/zinc/06/16/57/559061657.db2.gz	CWBVVPNADQZLQY-UHFFFAOYSA-N	-3	0	413.363	0.488	40	5		HCBBRL
COc1ccc(C(C2C(=O)N=C(C)N=C2[O-])C2C(=O)N=C(C)N=C2[O-])cc1[N+](=O)[O-]	ZINC000016363262	569032170	/nfs/dbraw/zinc/03/21/70/569032170.db2.gz	JWMVPQCNZUFOBX-UHFFFAOYSA-N	-2	0	415.362	0.978	40	5		HCBBRL
Nc1nc(SCC(=O)[O-])[n-]c(=O)c1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000031772401	568930829	/nfs/dbraw/zinc/93/08/29/568930829.db2.gz	NOANZWJPDCKCQO-UHFFFAOYSA-N	-2	0	401.382	0.238	40	5		HCBBRL
O=C(COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1)N1CCOCC1	ZINC000098031142	559022858	/nfs/dbraw/zinc/02/28/58/559022858.db2.gz	JAFZQBDWPUORQO-UTCJRWHESA-N	-2	0	402.363	0.792	40	5		HCBBRL