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-])CSc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1O	ZINC000000944523	555587543	/nfs/dbraw/zinc/58/75/43/555587543.db2.gz	NIDRZGBFOJIVAJ-UHFFFAOYSA-N	-2	1	439.514	4.676	50	10		IJCAML
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(Sc3nc[nH]n3)c([O-])c3ccccc23)cc1C	ZINC000002685370	555798776	/nfs/dbraw/zinc/79/87/76/555798776.db2.gz	OSWBIEMETBPYGH-UHFFFAOYSA-N	-2	1	440.550	4.541	50	10		IJCAML
Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(SCC(=O)[O-])c(O)c3ccccc23)c1C	ZINC000002685315	556118785	/nfs/dbraw/zinc/11/87/85/556118785.db2.gz	LJIQXZNESICUSJ-UHFFFAOYSA-N	-2	1	445.562	4.757	50	10		IJCAML
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(SCC(=O)[O-])c(O)c3ccccc23)cc1	ZINC000000645681	557124438	/nfs/dbraw/zinc/12/44/38/557124438.db2.gz	OPOQSWDNJPCXKP-UHFFFAOYSA-N	-2	1	445.562	4.820	50	10		IJCAML
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(Sc3nc[nH]n3)c([O-])c3ccccc23)c(C)c1	ZINC000008859977	569479846	/nfs/dbraw/zinc/47/98/46/569479846.db2.gz	IRILDQNCMZOLEN-UHFFFAOYSA-N	-2	1	440.550	4.541	50	10		IJCAML
Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000101114492	557256583	/nfs/dbraw/zinc/25/65/83/557256583.db2.gz	LESZHEREKFPFIP-OQLLNIDSSA-N	-2	1	434.677	4.519	50	10		IJCAML
CC(C)c1ccc(S(=O)(=O)[N-]c2cc(SCC(=O)[O-])c(O)c3ccccc23)cc1	ZINC000002184375	555755026	/nfs/dbraw/zinc/75/50/26/555755026.db2.gz	RTQIUNNFOWTICU-UHFFFAOYSA-N	-2	1	431.535	4.646	50	10		IJCAML
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(SCCC(=O)[O-])c(O)c3ccccc23)cc1C	ZINC000008870728	562965456	/nfs/dbraw/zinc/96/54/56/562965456.db2.gz	KXENAUPGZZIEGO-UHFFFAOYSA-N	-2	1	445.562	4.838	50	10		IJCAML