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[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1[N+](=O)[O-]	ZINC000003325317	568881133	/nfs/dbraw/zinc/88/11/33/568881133.db2.gz	QFRJJEXXPAFRLK-ZDUSSCGKSA-N	-2	3	419.242	3.396	50	5		HGBAHL
O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000006184298	569029010	/nfs/dbraw/zinc/02/90/10/569029010.db2.gz	WHCYEWNWDCDDAI-ZDUSSCGKSA-N	-2	3	419.242	3.396	50	5		HGBAHL
O=c1nc(C=Cc2ccc(-c3ccc(Br)cc3)o2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000030840499	568895229	/nfs/dbraw/zinc/89/52/29/568895229.db2.gz	FTMHUVKYFDNPNO-ALCCZGGFSA-N	-2	3	404.176	3.164	50	5		HGBAHL
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1[N+](=O)[O-]	ZINC000009958326	571291820	/nfs/dbraw/zinc/29/18/20/571291820.db2.gz	QJCLHVPLLULAMA-GFCCVEGCSA-N	-2	3	419.242	3.396	50	5		HGBAHL
O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1Cl	ZINC000009882913	569251433	/nfs/dbraw/zinc/25/14/33/569251433.db2.gz	QIUWUCCIXSFRCL-ZDUSSCGKSA-N	-2	3	419.242	3.396	50	5		HGBAHL
O=C1O[C@@]2(c3ccccc31)c1ccc([O-])cc1Oc1cc([O-])c([N+](=O)[O-])c([N+](=O)[O-])c12	ZINC000230141801	568852356	/nfs/dbraw/zinc/85/23/56/568852356.db2.gz	NVJAFBAQNWODCX-FQEVSTJZSA-N	-2	3	422.305	3.482	50	5		HGBAHL
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1[N+](=O)[O-]	ZINC000003325316	568881173	/nfs/dbraw/zinc/88/11/73/568881173.db2.gz	QFRJJEXXPAFRLK-CYBMUJFWSA-N	-2	3	419.242	3.396	50	5		HGBAHL
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000006184295	569029037	/nfs/dbraw/zinc/02/90/37/569029037.db2.gz	WHCYEWNWDCDDAI-CYBMUJFWSA-N	-2	3	419.242	3.396	50	5		HGBAHL
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1Cl	ZINC000009882911	569251409	/nfs/dbraw/zinc/25/14/09/569251409.db2.gz	QIUWUCCIXSFRCL-CYBMUJFWSA-N	-2	3	419.242	3.396	50	5		HGBAHL
O=C([O-])C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1[N+](=O)[O-]	ZINC000009958327	571291751	/nfs/dbraw/zinc/29/17/51/571291751.db2.gz	QJCLHVPLLULAMA-LBPRGKRZSA-N	-2	3	419.242	3.396	50	5		HGBAHL
O=C1O[C@]2(c3ccccc31)c1ccc([O-])cc1Oc1cc([O-])c([N+](=O)[O-])c([N+](=O)[O-])c12	ZINC000230141806	568852386	/nfs/dbraw/zinc/85/23/86/568852386.db2.gz	NVJAFBAQNWODCX-HXUWFJFHSA-N	-2	3	422.305	3.482	50	5		HGBAHL