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-])c1ccc([C@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@@H]32)cc1	ZINC000004845909	570316246	/nfs/dbraw/zinc/31/62/46/570316246.db2.gz	JRYACCVUEMOIIT-ILWGZMRPSA-N	-1	0	386.407	4.764	10	5		GJBERM
Cc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(=O)[O-])cc1	ZINC000020334190	210329255	/nfs/dbraw/zinc/32/92/55/210329255.db2.gz	AUONRSZRXZUXRW-UHFFFAOYSA-N	-1	0	382.397	4.582	10	5		GJBERM
O=[N+]([O-])c1ccc([N-]c2nnc(-c3ccc(Br)cc3)s2)cc1	ZINC000028638436	203835452	/nfs/dbraw/zinc/83/54/52/203835452.db2.gz	DNBWNFZBKIJSDO-UHFFFAOYSA-N	-1	0	377.223	4.619	10	5		GJBERM
O=C([O-])c1ccc([C@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@H]32)cc1	ZINC000004845910	570316160	/nfs/dbraw/zinc/31/61/60/570316160.db2.gz	JRYACCVUEMOIIT-CEMLEFRQSA-N	-1	0	386.407	4.764	10	5		GJBERM
O=C([O-])/C=C/c1ccc(Sc2ccccc2Br)c([N+](=O)[O-])c1	ZINC000013276449	221263689	/nfs/dbraw/zinc/26/36/89/221263689.db2.gz	BKYOTZXKNDZHFR-SOFGYWHQSA-N	-1	0	380.219	4.606	10	5		GJBERM
O=C([O-])c1ccc([C@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@@H]32)cc1	ZINC000004845911	570316232	/nfs/dbraw/zinc/31/62/32/570316232.db2.gz	JRYACCVUEMOIIT-KSEOMHKRSA-N	-1	0	386.407	4.764	10	5		GJBERM
O=C([O-])c1ccc([C@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@H]32)cc1	ZINC000004845908	570316161	/nfs/dbraw/zinc/31/61/61/570316161.db2.gz	JRYACCVUEMOIIT-BAGYTPMASA-N	-1	0	386.407	4.764	10	5		GJBERM