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](C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000547874953	490372781	/nfs/dbraw/zinc/37/27/81/490372781.db2.gz	PTHUIOMUDAMRRN-KCJUWKMLSA-N	-2	3	362.335	0.892	10	5		FCBEHL
Cc1sc(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)cc1[N+](=O)[O-]	ZINC000548837438	490546052	/nfs/dbraw/zinc/54/60/52/490546052.db2.gz	RYSHPSNZKMMLAR-UHFFFAOYSA-N	-2	3	350.374	0.877	10	5		FCBEHL
O=C([O-])[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000547874955	490372173	/nfs/dbraw/zinc/37/21/73/490372173.db2.gz	PTHUIOMUDAMRRN-LDYMZIIASA-N	-2	3	362.335	0.892	10	5		FCBEHL
O=C([O-])[C@@H](CN1CCCCC1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000275064452	488758070	/nfs/dbraw/zinc/75/80/70/488758070.db2.gz	ZONYMTPLKXKUHQ-LLVKDONJSA-N	-2	3	357.388	0.812	10	5		FCBEHL
O=C([O-])[C@H](CN1CCCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000548552282	490504606	/nfs/dbraw/zinc/50/46/06/490504606.db2.gz	YFDFDALJPASENZ-VIFPVBQESA-N	-2	3	363.417	0.874	10	5		FCBEHL
COc1ccc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCSC2)c([N+](=O)[O-])c1	ZINC000390658139	490137740	/nfs/dbraw/zinc/13/77/40/490137740.db2.gz	LEJXAFNICYZLNC-GFCCVEGCSA-N	-2	3	362.385	0.842	10	5		FCBEHL
COc1ccc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCSC2)c([N+](=O)[O-])c1	ZINC000390658141	490137829	/nfs/dbraw/zinc/13/78/29/490137829.db2.gz	LEJXAFNICYZLNC-LBPRGKRZSA-N	-2	3	362.385	0.842	10	5		FCBEHL
CC(C)OC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC000863416942	672124126	/nfs/dbraw/zinc/12/41/26/672124126.db2.gz	PAPUZKIGFWNTQG-JTQLQIEISA-N	-2	3	350.324	0.890	10	5		FCBEHL
O=C([O-])[C@@H](CN1CCCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000548552281	490504260	/nfs/dbraw/zinc/50/42/60/490504260.db2.gz	YFDFDALJPASENZ-SECBINFHSA-N	-2	3	363.417	0.874	10	5		FCBEHL
O=C([O-])[C@H](CN1CCCCC1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000275064453	488757883	/nfs/dbraw/zinc/75/78/83/488757883.db2.gz	ZONYMTPLKXKUHQ-NSHDSACASA-N	-2	3	357.388	0.812	10	5		FCBEHL
O=C([O-])[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000547874878	490372952	/nfs/dbraw/zinc/37/29/52/490372952.db2.gz	PTHUIOMUDAMRRN-GZMMTYOYSA-N	-2	3	362.335	0.892	10	5		FCBEHL
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOCC(F)F)c1	ZINC000414340155	489496789	/nfs/dbraw/zinc/49/67/89/489496789.db2.gz	KHFAKNSEIZCCSH-UHFFFAOYSA-N	-2	3	354.287	0.853	10	5		FCBEHL
O=C([O-])[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000547874954	490372875	/nfs/dbraw/zinc/37/28/75/490372875.db2.gz	PTHUIOMUDAMRRN-KWQFWETISA-N	-2	3	362.335	0.892	10	5		FCBEHL