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-])c1cccc2c1nc1ccccc1c2C(=O)[O-]	ZINC000004811501	304266308	/nfs/dbraw/zinc/26/63/08/304266308.db2.gz	DOZKPGOIZJCCHC-UHFFFAOYSA-N	-2	0	267.240	2.784	50	5		CFBARL
O=C([O-])c1ccccc1-c1c(C(=O)[O-])cccc1[N+](=O)[O-]	ZINC000003073711	169852914	/nfs/dbraw/zinc/85/29/14/169852914.db2.gz	FKGPGPZCLXLUMB-UHFFFAOYSA-N	-2	0	287.227	2.658	50	5		CFBARL
O=C([O-])c1cc(-c2ccccc2)cc([N+](=O)[O-])c1[O-]	ZINC000057339831	373588418	/nfs/dbraw/zinc/58/84/18/373588418.db2.gz	HBXBUWSUUCYRGC-UHFFFAOYSA-N	-2	0	259.217	2.666	50	5		CFBARL
O=C([O-])c1ccc(-c2ccccc2[N+](=O)[O-])cc1C(=O)[O-]	ZINC000013945426	304230688	/nfs/dbraw/zinc/23/06/88/304230688.db2.gz	JDRNUACRFOXYLY-UHFFFAOYSA-N	-2	0	287.227	2.658	50	5		CFBARL
O=C([O-])c1ccc(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000077031519	304230103	/nfs/dbraw/zinc/23/01/03/304230103.db2.gz	IMMMKRJSBMQYKG-UHFFFAOYSA-N	-2	0	287.227	2.658	50	5		CFBARL
O=C([O-])c1ccc(C(=O)[O-])c(-c2ccc([N+](=O)[O-])cc2)c1	ZINC000005769140	304239732	/nfs/dbraw/zinc/23/97/32/304239732.db2.gz	IKWJZYFQGSBZKA-UHFFFAOYSA-N	-2	0	287.227	2.658	50	5		CFBARL
O=C([O-])c1cc(C(=O)[O-])c2c(ccc3ccccc32)n1	ZINC000071772380	304223456	/nfs/dbraw/zinc/22/34/56/304223456.db2.gz	VPTWKXIPOWNVQN-UHFFFAOYSA-N	-2	0	267.240	2.784	50	5		CFBARL
O=C([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-]	ZINC000009592349	304230388	/nfs/dbraw/zinc/23/03/88/304230388.db2.gz	WXFDZTNBJJDYNT-UHFFFAOYSA-N	-2	0	287.227	2.658	50	5		CFBARL
Cc1nc2cc3nc(C)c(C(=O)[O-])cc3cc2cc1C(=O)[O-]	ZINC000003845042	371818579	/nfs/dbraw/zinc/81/85/79/371818579.db2.gz	SPXNMONQOUGWKS-UHFFFAOYSA-N	-2	0	296.282	2.796	50	5		CFBARL
O=[N+]([O-])c1ccc([O-])c(-c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000036019045	372553886	/nfs/dbraw/zinc/55/38/86/372553886.db2.gz	FRXHXPOXUZYRII-UHFFFAOYSA-N	-2	0	276.204	2.581	50	5		CFBARL
O=C([O-])c1ccc(Oc2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000101113511	397593083	/nfs/dbraw/zinc/59/30/83/397593083.db2.gz	OZEFTTHQFPHRTD-UHFFFAOYSA-N	-2	0	275.216	2.791	50	5		CFBARL
CC(C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1)=Cc1ccccc1	ZINC000009010298	393471019	/nfs/dbraw/zinc/47/10/19/393471019.db2.gz	NQLCPPMQXFYLQK-UQGDGPGGSA-N	-2	0	299.286	2.500	50	5		CFBARL