smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1[n-][n-]c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000004380280	181104533	/nfs/dbraw/zinc/10/45/33/181104533.db2.gz	BXZOUIOQWPXVRO-RKDXNWHRSA-N	-2	3	318.245	-0.415	50	5		DBBAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000100823034	374885493	/nfs/dbraw/zinc/88/54/93/374885493.db2.gz	BXZOUIOQWPXVRO-DTWKUNHWSA-N	-2	3	318.245	-0.415	50	5		DBBAHL
CO[C@@]1([O-])C(C(C)=O)=N[N-]c2c([N+](=O)[O-])c([N+](=O)[O-])nn21	ZINC000075250918	379318260	/nfs/dbraw/zinc/31/82/60/379318260.db2.gz	VNRAUPSTBHANCT-QMMMGPOBSA-N	-2	3	300.187	-0.681	50	5		DBBAHL
CO[C@]1([O-])C(C(C)=O)=N[N-]c2c([N+](=O)[O-])c([N+](=O)[O-])nn21	ZINC000075250920	379319047	/nfs/dbraw/zinc/31/90/47/379319047.db2.gz	VNRAUPSTBHANCT-MRVPVSSYSA-N	-2	3	300.187	-0.681	50	5		DBBAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000100823038	374886984	/nfs/dbraw/zinc/88/69/84/374886984.db2.gz	BXZOUIOQWPXVRO-IUCAKERBSA-N	-2	3	318.245	-0.415	50	5		DBBAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000100835350	374474483	/nfs/dbraw/zinc/47/44/83/374474483.db2.gz	NYIAXROHKXAYGX-IUCAKERBSA-N	-2	3	318.245	-0.415	50	5		DBBAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000100835347	374474278	/nfs/dbraw/zinc/47/42/78/374474278.db2.gz	NYIAXROHKXAYGX-DTWKUNHWSA-N	-2	3	318.245	-0.415	50	5		DBBAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000004898898	181170047	/nfs/dbraw/zinc/17/00/47/181170047.db2.gz	NYIAXROHKXAYGX-RKDXNWHRSA-N	-2	3	318.245	-0.415	50	5		DBBAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3cccc([N+](=O)[O-])c3)c(=O)c1-2	ZINC000100050452	374884745	/nfs/dbraw/zinc/88/47/45/374884745.db2.gz	SGGMNGYFWXEHGW-IUCAKERBSA-N	-2	3	318.245	-0.415	50	5		DBBAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3cccc([N+](=O)[O-])c3)c(=O)c1-2	ZINC000100050450	374884303	/nfs/dbraw/zinc/88/43/03/374884303.db2.gz	SGGMNGYFWXEHGW-DTWKUNHWSA-N	-2	3	318.245	-0.415	50	5		DBBAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000100823043	193804775	/nfs/dbraw/zinc/80/47/75/193804775.db2.gz	BXZOUIOQWPXVRO-BDAKNGLRSA-N	-2	3	318.245	-0.415	50	5		DBBAHL
O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000001816162	379937296	/nfs/dbraw/zinc/93/72/96/379937296.db2.gz	SPJXOLIOUVAJAR-UHFFFAOYSA-N	-2	3	317.279	-0.926	50	5		DBBAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3cccc([N+](=O)[O-])c3)c(=O)c1-2	ZINC000017823112	182085999	/nfs/dbraw/zinc/08/59/99/182085999.db2.gz	SGGMNGYFWXEHGW-BDAKNGLRSA-N	-2	3	318.245	-0.415	50	5		DBBAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3cccc([N+](=O)[O-])c3)c(=O)c1-2	ZINC000100050453	374883807	/nfs/dbraw/zinc/88/38/07/374883807.db2.gz	SGGMNGYFWXEHGW-RKDXNWHRSA-N	-2	3	318.245	-0.415	50	5		DBBAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000100835355	193804915	/nfs/dbraw/zinc/80/49/15/193804915.db2.gz	NYIAXROHKXAYGX-BDAKNGLRSA-N	-2	3	318.245	-0.415	50	5		DBBAHL