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-])c1csc(S(=O)(=O)[N-]c2cccc(Br)c2Cl)c1	ZINC000690863834	976339591	/nfs/dbraw/zinc/33/95/91/976339591.db2.gz	IBEODFNSLVRXJM-UHFFFAOYSA-N	-2	1	396.671	3.663	10	0		GHAEML
O=C([O-])COc1cc(-c2ccccc2)nc([N-]c2c(F)c(F)cc(F)c2F)n1	ZINC000073702148	205030847	/nfs/dbraw/zinc/03/08/47/205030847.db2.gz	OFKLJVLJEIABPH-UHFFFAOYSA-N	-2	1	393.296	3.907	10	0		GHAEML
CC1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cccc(F)c2)CC1	ZINC000032971108	570555170	/nfs/dbraw/zinc/55/51/70/570555170.db2.gz	VYMFWHZXHUKTGM-UHFFFAOYSA-N	-2	1	392.452	3.561	10	0		GHAEML
CCCN(CCC)c1ncc([N-]S(=O)(=O)c2cccc(C)c2)cc1C(=O)[O-]	ZINC000064843307	570563395	/nfs/dbraw/zinc/56/33/95/570563395.db2.gz	HOMOROITMDHHCO-UHFFFAOYSA-N	-2	1	391.493	3.515	10	0		GHAEML
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC[C@H](C)C2)cc1	ZINC000032971130	221759330	/nfs/dbraw/zinc/75/93/30/221759330.db2.gz	ROTANVHTYVIWGN-HNNXBMFYSA-N	-2	1	388.489	3.730	10	0		GHAEML
COc1cc([O-])c2c(=O)c(OC)c(-c3cccc(Cl)c3[O-])oc2c1OC	ZINC000005998755	212147984	/nfs/dbraw/zinc/14/79/84/212147984.db2.gz	JLSQXYITDXJTKL-UHFFFAOYSA-N	-2	1	378.764	3.550	10	0	in-vitro	GHAEML
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC[C@@H](C)C2)cc1	ZINC000032971129	570555435	/nfs/dbraw/zinc/55/54/35/570555435.db2.gz	ROTANVHTYVIWGN-OAHLLOKOSA-N	-2	1	388.489	3.730	10	0		GHAEML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Br)c2Cl)s1	ZINC000709140315	977453538	/nfs/dbraw/zinc/45/35/38/977453538.db2.gz	FOZNSAREVGNUBL-UHFFFAOYSA-N	-2	1	396.671	3.663	10	0		GHAEML
CC1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000032971101	570555361	/nfs/dbraw/zinc/55/53/61/570555361.db2.gz	RWEPNXPFUGMGKT-UHFFFAOYSA-N	-2	1	392.452	3.561	10	0		GHAEML