smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c(C)c1	ZINC000161287069	534212323	/nfs/dbraw/zinc/21/23/23/534212323.db2.gz	CMMYQWALNSQWLP-UHFFFAOYSA-N	-2	3	295.335	2.949	20	70		CFIDHL
CCc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1	ZINC000161292275	529699202	/nfs/dbraw/zinc/69/92/02/529699202.db2.gz	NHWZBWOWIMPOAP-UHFFFAOYSA-N	-2	3	295.335	2.895	20	70		CFIDHL
Cc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)s1	ZINC000161282761	322350010	/nfs/dbraw/zinc/35/00/10/322350010.db2.gz	FHHLPWLGRCQCAE-UHFFFAOYSA-N	-2	3	287.337	2.702	20	70		CFIDHL
Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1	ZINC000161307287	232251436	/nfs/dbraw/zinc/25/14/36/232251436.db2.gz	BTIZCJQWEHHSRD-UHFFFAOYSA-N	-2	3	299.298	2.780	20	70		CFIDHL
Cc1ccc(F)c(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1	ZINC000161305502	232251333	/nfs/dbraw/zinc/25/13/33/232251333.db2.gz	YKKOMJRBIRYEBE-UHFFFAOYSA-N	-2	3	299.298	2.780	20	70		CFIDHL
Cc1cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)ccc1F	ZINC000161284379	232250944	/nfs/dbraw/zinc/25/09/44/232250944.db2.gz	HHDWLHKCNGNOHI-UHFFFAOYSA-N	-2	3	299.298	2.780	20	70		CFIDHL
Cc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c(F)c1	ZINC000161308495	534212985	/nfs/dbraw/zinc/21/29/85/534212985.db2.gz	KWOHQQALPTWEPP-UHFFFAOYSA-N	-2	3	299.298	2.780	20	70		CFIDHL
Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1	ZINC000161289668	232251180	/nfs/dbraw/zinc/25/11/80/232251180.db2.gz	YNBIBYQTUOUPRL-UHFFFAOYSA-N	-2	3	299.298	2.780	20	70		CFIDHL
Cc1ccc(C)c(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1	ZINC000161299379	533709111	/nfs/dbraw/zinc/70/91/11/533709111.db2.gz	UEDJWGJJAJONBC-UHFFFAOYSA-N	-2	3	295.335	2.949	20	70		CFIDHL
Cc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1C	ZINC000161298037	534212798	/nfs/dbraw/zinc/21/27/98/534212798.db2.gz	XDXDPQHWKKJEGG-UHFFFAOYSA-N	-2	3	295.335	2.949	20	70		CFIDHL
Cc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1	ZINC000161285058	322349692	/nfs/dbraw/zinc/34/96/92/322349692.db2.gz	JQUCQTAJKHRKQQ-UHFFFAOYSA-N	-2	3	281.308	2.641	20	70		CFIDHL