smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)c1	ZINC000766891210	1079499047	/nfs/dbraw/zinc/49/90/47/1079499047.db2.gz	BBXJGYZVQLHKAR-UHFFFAOYSA-N	-2	0	411.288	2.408	20	10		HECDRL
CCCNC(=O)Cc1noc(-c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])n1	ZINC000771166148	1079173549	/nfs/dbraw/zinc/17/35/49/1079173549.db2.gz	PHXVOAPEUYJQGY-UHFFFAOYSA-N	-2	0	422.488	2.373	20	10		HECDRL
O=C(Cc1noc(-c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])n1)NC1CC1	ZINC000771011996	1079104203	/nfs/dbraw/zinc/10/42/03/1079104203.db2.gz	LQMJZWMDFHCONB-UHFFFAOYSA-N	-2	0	420.472	2.126	20	10		HECDRL
CCC[C@@H](NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)c1nnn[n-]1	ZINC000769958688	1078651770	/nfs/dbraw/zinc/65/17/70/1078651770.db2.gz	ZOTACPPQEVRCNE-GFCCVEGCSA-N	-2	0	422.492	2.039	20	10		HECDRL
CCC[C@H](NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)c1nnn[n-]1	ZINC000769958690	1078651948	/nfs/dbraw/zinc/65/19/48/1078651948.db2.gz	ZOTACPPQEVRCNE-LBPRGKRZSA-N	-2	0	422.492	2.039	20	10		HECDRL
CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)cc1	ZINC000766893148	1079499620	/nfs/dbraw/zinc/49/96/20/1079499620.db2.gz	ZUFDCJGBIGDDFY-UHFFFAOYSA-N	-2	0	411.288	2.408	20	10		HECDRL
CC(C)NC(=O)Cc1noc(-c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])n1	ZINC000771059558	1079119552	/nfs/dbraw/zinc/11/95/52/1079119552.db2.gz	VWURGBYLHJDTBZ-UHFFFAOYSA-N	-2	0	422.488	2.372	20	10		HECDRL
CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c(Cl)s1	ZINC000770638076	1078908035	/nfs/dbraw/zinc/90/80/35/1078908035.db2.gz	WUPMSKGRNXSPCI-UHFFFAOYSA-N	-2	0	411.866	2.010	20	10		HECDRL
NC(=O)C1(NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)CCCCC1	ZINC000769715577	1078534013	/nfs/dbraw/zinc/53/40/13/1078534013.db2.gz	TVVBWWQKGVSXCE-UHFFFAOYSA-N	-2	0	423.516	2.173	20	10		HECDRL
O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)s1	ZINC000769635081	1081153128	/nfs/dbraw/zinc/15/31/28/1081153128.db2.gz	ZOIMVBKQQOLUII-UHFFFAOYSA-N	-3	0	422.234	2.413	20	10		HECDRL