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-])c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Br)s1	ZINC000013267476	560213759	/nfs/dbraw/zinc/21/37/59/560213759.db2.gz	IXCUPGWXLSPDDS-UHFFFAOYSA-N	-2	0	396.671	3.663	10	0	in-vitro	GHAERL
Cc1cc(OCc2ccccc2)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000710671007	977518872	/nfs/dbraw/zinc/51/88/72/977518872.db2.gz	SWBNIKBJCFCSMF-UHFFFAOYSA-N	-2	0	387.413	3.666	10	0		GHAERL
O=C([O-])C(C(=O)[O-])[C@@H](CC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1	ZINC000095573360	208234751	/nfs/dbraw/zinc/23/47/51/208234751.db2.gz	MLJPLHGJBUWCBA-AWEZNQCLSA-N	-2	0	380.318	3.847	10	0	in-vitro	GHAERL
CCCN(CCC)c1ncc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000064843752	570564723	/nfs/dbraw/zinc/56/47/23/570564723.db2.gz	NAPIQLMKNOJIFS-UHFFFAOYSA-N	-2	0	391.493	3.515	10	0		GHAERL
CCn1c2ccc(C(=O)CCC(=O)[O-])cc2c2cc(C(=O)CCC(=O)[O-])ccc21	ZINC000005328016	209587093	/nfs/dbraw/zinc/58/70/93/209587093.db2.gz	LMWDQYPRYKFYKV-UHFFFAOYSA-N	-2	0	395.411	3.909	10	0		GHAERL