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-])c1cc(Br)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000006316376	569040124	/nfs/dbraw/zinc/04/01/24/569040124.db2.gz	LXKWXGKBZYKOCC-UHFFFAOYSA-N	-2	0	401.194	2.856	40	5		HFBBRL
O=C([O-])c1cc(Br)ccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000013342857	569410690	/nfs/dbraw/zinc/41/06/90/569410690.db2.gz	AYXLVSSBTCAKII-UHFFFAOYSA-N	-2	0	401.194	2.856	40	5		HFBBRL
CCc1nc(SC(=Cc2cc(Br)cc([N+](=O)[O-])c2[O-])C(=O)[O-])n[nH]1	ZINC000408631233	559222370	/nfs/dbraw/zinc/22/23/70/559222370.db2.gz	GQJJADJYRAJPQH-WTKPLQERSA-N	-2	0	415.225	2.961	40	5		HFBBRL
CCc1nc(SC(=Cc2cc([N+](=O)[O-])cc(Br)c2[O-])C(=O)[O-])n[nH]1	ZINC000408631163	559222302	/nfs/dbraw/zinc/22/23/02/559222302.db2.gz	FOGMOEYYLXXWFJ-WTKPLQERSA-N	-2	0	415.225	2.961	40	5		HFBBRL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)o2)c1	ZINC000409327607	560709721	/nfs/dbraw/zinc/70/97/21/560709721.db2.gz	LLWHTXLFJMEWTQ-RQOWECAXSA-N	-4	0	413.298	2.623	40	5		HFBBRL
Cc1nnc(S/C(=C\c2cc(Br)cc([N+](=O)[O-])c2[O-])C(=O)[O-])o1	ZINC000038276280	568983879	/nfs/dbraw/zinc/98/38/79/568983879.db2.gz	FXAOHCJBMFOABM-OQFOIZHKSA-N	-2	0	402.182	2.972	40	5		HFBBRL
COc1ccc(C(=O)Oc2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)cc2)cc1	ZINC000009234811	569391981	/nfs/dbraw/zinc/39/19/81/569391981.db2.gz	UXCOAHQBBPAGAK-NYYWCZLTSA-N	-2	0	409.354	2.782	40	5		HFBBRL
CCc1nc(SC(=Cc2cc(Br)c([O-])c([N+](=O)[O-])c2)C(=O)[O-])n[nH]1	ZINC000408631946	559222473	/nfs/dbraw/zinc/22/24/73/559222473.db2.gz	NMSZWPLIBXIOJQ-UITAMQMPSA-N	-2	0	415.225	2.961	40	5		HFBBRL