smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2-c2ccc(F)cc2)ccc1[O-]	ZINC000485004107	900356481	/nfs/dbraw/zinc/35/64/81/900356481.db2.gz	GPDBGRDJYLTOEJ-UHFFFAOYSA-N	-2	1	406.366	4.046	20	5		HIBDML
CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2s1	ZINC000438771919	864266109	/nfs/dbraw/zinc/26/61/09/864266109.db2.gz	DCXYOSIALPYGOP-UHFFFAOYSA-N	-2	1	407.473	4.008	20	5		HIBDML
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000491584482	904662527	/nfs/dbraw/zinc/66/25/27/904662527.db2.gz	ULOHVJCYRSCLHL-UHFFFAOYSA-N	-2	1	419.242	4.017	20	5		HIBDML
Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc([N+](=O)[O-])c1C	ZINC000548564008	941113396	/nfs/dbraw/zinc/11/33/96/941113396.db2.gz	AGDRBOLZEAOAMT-UHFFFAOYSA-N	-2	1	419.242	4.017	20	5		HIBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2SCc2ccccc2)ccc1[O-]	ZINC000028809284	847463679	/nfs/dbraw/zinc/46/36/79/847463679.db2.gz	HWHZAAZIOUQDFJ-UHFFFAOYSA-N	-2	1	416.480	4.394	20	5		HIBDML
C[C@H](Nc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1	ZINC000443532307	868090497	/nfs/dbraw/zinc/09/04/97/868090497.db2.gz	SORLEMSUXNUCKM-AWEZNQCLSA-N	-2	1	413.455	4.274	20	5		HIBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)ccc1[O-]	ZINC000025766904	847033411	/nfs/dbraw/zinc/03/34/11/847033411.db2.gz	BLRSQRPNHYVASN-UHFFFAOYSA-N	-2	1	402.453	4.252	20	5		HIBDML
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1	ZINC000542734868	939858037	/nfs/dbraw/zinc/85/80/37/939858037.db2.gz	SHVCARVKVCCDIA-UHFFFAOYSA-N	-2	1	419.242	4.017	20	5		HIBDML
C[C@@H](Nc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1	ZINC000443532308	868090927	/nfs/dbraw/zinc/09/09/27/868090927.db2.gz	SORLEMSUXNUCKM-CQSZACIVSA-N	-2	1	413.455	4.274	20	5		HIBDML
CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000541807555	939639197	/nfs/dbraw/zinc/63/91/97/939639197.db2.gz	MUGNGCAEQOVBFU-UHFFFAOYSA-N	-2	1	408.476	4.115	20	5		HIBDML
Cc1c(CSC(C)C)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000432206602	859045979	/nfs/dbraw/zinc/04/59/79/859045979.db2.gz	ABYXGLKFVMZELZ-UHFFFAOYSA-N	-2	1	424.500	4.044	20	5		HIBDML