smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](C)C[C@H](C)NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000088302501	185245075	/nfs/dbraw/zinc/24/50/75/185245075.db2.gz	WZTPDFVIRSBJRE-UWVGGRQHSA-N	-1	2	316.379	2.403	10	5		DEBELM
CC(C)(C)CS(=O)(=O)Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000083805495	192383511	/nfs/dbraw/zinc/38/35/11/192383511.db2.gz	HWDYLALQNAWEEO-UHFFFAOYSA-N	-1	2	316.335	2.081	10	5		DEBELM
C[C@@](Nc1nc2sccn2c1[N+](=O)[O-])(C(=O)[O-])C(F)(F)F	ZINC000094222014	193350753	/nfs/dbraw/zinc/35/07/53/193350753.db2.gz	FNGJHDWAFYHWLO-MRVPVSSYSA-N	-1	2	324.240	2.122	10	5		DEBELM
C[C@@]([N-]c1nc2sccn2c1[N+](=O)[O-])(C(=O)O)C(F)(F)F	ZINC000094222014	193350755	/nfs/dbraw/zinc/35/07/55/193350755.db2.gz	FNGJHDWAFYHWLO-MRVPVSSYSA-N	-1	2	324.240	2.122	10	5		DEBELM
C[C@](Nc1nc2sccn2c1[N+](=O)[O-])(C(=O)[O-])C(F)(F)F	ZINC000094222015	193350853	/nfs/dbraw/zinc/35/08/53/193350853.db2.gz	FNGJHDWAFYHWLO-QMMMGPOBSA-N	-1	2	324.240	2.122	10	5		DEBELM
C[C@]([N-]c1nc2sccn2c1[N+](=O)[O-])(C(=O)O)C(F)(F)F	ZINC000094222015	193350855	/nfs/dbraw/zinc/35/08/55/193350855.db2.gz	FNGJHDWAFYHWLO-QMMMGPOBSA-N	-1	2	324.240	2.122	10	5		DEBELM
CC(=O)c1ccc(O)c(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1	ZINC000436573401	405103940	/nfs/dbraw/zinc/10/39/40/405103940.db2.gz	CCSIMNSTGUAJTC-UHFFFAOYSA-N	-1	2	316.269	2.461	10	5		DEBELM