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-])CSCc1cccc([N-]S(=O)(=O)c2ccc(CCCl)cc2)c1	ZINC000739873597	978657300	/nfs/dbraw/zinc/65/73/00/978657300.db2.gz	HXPYZVGGRDOQFI-UHFFFAOYSA-N	-2	1	399.921	3.587	20	50		GHGDML
O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2ccc(CCCCl)cc2)cc1F	ZINC000742231666	978676207	/nfs/dbraw/zinc/67/62/07/978676207.db2.gz	BPXGXEZFOFIMQI-UHFFFAOYSA-N	-2	1	389.807	3.635	20	50		GHGDML
C[C@@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(CCCl)cc2)cc1	ZINC000825449717	603403116	/nfs/dbraw/zinc/40/31/16/603403116.db2.gz	XDWVFXUDIPUJIM-GFCCVEGCSA-N	-2	1	382.869	3.597	20	50		GHGDML
CC(=NNC(=O)c1cc(Br)ccc1[O-])[C@H](C)CCCCC(=O)[O-]	ZINC000814857409	978893994	/nfs/dbraw/zinc/89/39/94/978893994.db2.gz	KKDWIRSKIBMWGU-SNVBAGLBSA-N	-2	1	385.258	3.542	20	50		GHGDML
CC(=NNC(=O)c1cc(Br)ccc1[O-])[C@@H](C)CCCCC(=O)[O-]	ZINC000814857408	978894029	/nfs/dbraw/zinc/89/40/29/978894029.db2.gz	KKDWIRSKIBMWGU-JTQLQIEISA-N	-2	1	385.258	3.542	20	50		GHGDML
CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(CCCl)cc2)cc1	ZINC000736233273	978312307	/nfs/dbraw/zinc/31/23/07/978312307.db2.gz	VJYORBHZOCBJNP-UHFFFAOYSA-N	-2	1	381.881	3.631	20	50		GHGDML
C[C@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(CCCl)cc2)cc1	ZINC000825449718	603402947	/nfs/dbraw/zinc/40/29/47/603402947.db2.gz	XDWVFXUDIPUJIM-LBPRGKRZSA-N	-2	1	382.869	3.597	20	50		GHGDML
O=C([O-])c1cccc(NC(=O)N[N-]C(=O)c2ccc(-c3ccc(F)cc3)s2)c1	ZINC001594783209	953653347	/nfs/dbraw/zinc/65/33/47/953653347.db2.gz	WFCGDPJXSOSJHZ-UHFFFAOYSA-N	-2	1	399.403	3.719	20	50		GHGDML