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-])[C@@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000008883791	571140843	/nfs/dbraw/zinc/14/08/43/571140843.db2.gz	WONHJMNHXDRKKF-OAHLLOKOSA-N	-2	3	423.834	2.704	50	5		HFBAHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000009434737	569392742	/nfs/dbraw/zinc/39/27/42/569392742.db2.gz	QWSNUJFAOJDBKV-UHFFFAOYSA-N	-3	3	424.211	2.717	50	5		HFBAHL
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000013097438	569409002	/nfs/dbraw/zinc/40/90/02/569409002.db2.gz	WONHJMNHXDRKKF-HNNXBMFYSA-N	-2	3	423.834	2.704	50	5		HFBAHL
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1ccc([O-])c(Br)c1	ZINC000044124191	527405341	/nfs/dbraw/zinc/40/53/41/527405341.db2.gz	YXVGRUAHETYAGG-UHFFFAOYSA-N	-2	3	401.238	2.584	50	5		HFBAHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cc([N+](=O)[O-])cc(Br)c1[O-]	ZINC000027904398	569405358	/nfs/dbraw/zinc/40/53/58/569405358.db2.gz	ZMGZWGPKCQEZPY-UHFFFAOYSA-N	-3	3	424.211	2.717	50	5		HFBAHL
CSCC[C@@H]([N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000005671335	560772052	/nfs/dbraw/zinc/77/20/52/560772052.db2.gz	BJIMQCBKRAEPBP-CQSZACIVSA-N	-2	3	410.473	2.746	50	5		HFBAHL
CSCC[C@H]([N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000006794393	569124588	/nfs/dbraw/zinc/12/45/88/569124588.db2.gz	BJIMQCBKRAEPBP-AWEZNQCLSA-N	-2	3	410.473	2.746	50	5		HFBAHL