smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)ccc1Cl	ZINC000003328124	564157377	/nfs/dbraw/zinc/15/73/77/564157377.db2.gz	JDOTWEJIUDAJTD-UHFFFAOYSA-N	-2	3	332.208	3.808	50	10		EHCAHL
O=C([O-])c1ccc(Cl)c(-c2ccc(C=C3SC(=O)[N-]C3=O)o2)c1	ZINC000004699738	563964815	/nfs/dbraw/zinc/96/48/15/563964815.db2.gz	VAZUZWQSGGSYOE-SDQBBNPISA-N	-2	3	349.751	3.622	50	10		EHCAHL
Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c3ncccc23)cc1	ZINC000002697977	1023960980	/nfs/dbraw/zinc/96/09/80/1023960980.db2.gz	VNDZMSRQSGKBEY-UHFFFAOYSA-N	-2	3	348.811	3.703	50	10		EHCAHL
O=C1c2cccc([O-])c2C=CC1=NNc1cccc(S(=O)(=O)[O-])c1	ZINC000257347797	564130220	/nfs/dbraw/zinc/13/02/20/564130220.db2.gz	UWKRNTUZFVYPLZ-UHFFFAOYSA-N	-2	3	344.348	3.913	50	10		EHCAHL
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1cccc2ccccc21	ZINC000000616380	564012887	/nfs/dbraw/zinc/01/28/87/564012887.db2.gz	BOXNIQZYVTYTBQ-UHFFFAOYSA-N	-2	3	333.796	4.000	50	10		EHCAHL
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1C	ZINC000000073621	258047492	/nfs/dbraw/zinc/04/74/92/258047492.db2.gz	LEXWYGNLTSQMSI-UHFFFAOYSA-N	-2	3	325.817	3.772	50	10		EHCAHL
Cc1ccc(S(=O)(=O)[N-]c2c(C)cc([O-])c(Cl)c2C)cc1	ZINC000000245107	563265802	/nfs/dbraw/zinc/26/58/02/563265802.db2.gz	KXDUESUWKNVBHO-UHFFFAOYSA-N	-2	3	325.817	3.772	50	10		EHCAHL
O=S(=O)([N-]c1ccc([O-])c2ccccc12)c1ccc(Cl)cc1	ZINC000000134747	563240064	/nfs/dbraw/zinc/24/00/64/563240064.db2.gz	JVZCURGZQQSYSA-UHFFFAOYSA-N	-2	3	333.796	4.000	50	10		EHCAHL
Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)cc1	ZINC000000361251	564074985	/nfs/dbraw/zinc/07/49/85/564074985.db2.gz	LKXDNKFSHKMSPO-UHFFFAOYSA-N	-2	3	332.208	3.808	50	10		EHCAHL
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c(C)c1	ZINC000000380168	563299713	/nfs/dbraw/zinc/29/97/13/563299713.db2.gz	IDQBYRPVVKGMHE-UHFFFAOYSA-N	-2	3	325.817	3.772	50	10		EHCAHL
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc([O-])c3ccccc23)c1	ZINC000000189828	563256015	/nfs/dbraw/zinc/25/60/15/563256015.db2.gz	SEBVJYWOFMIHFC-UHFFFAOYSA-N	-2	3	327.405	3.963	50	10		EHCAHL
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc2ccccc2c1	ZINC000002071667	563421393	/nfs/dbraw/zinc/42/13/93/563421393.db2.gz	AMEJTNGSGMEXKT-UHFFFAOYSA-N	-2	3	333.796	4.000	50	10		EHCAHL
Cc1ccc(S(=O)(=O)[N-]c2cc(C)c([O-])c(Cl)c2C)cc1	ZINC000000065392	209396559	/nfs/dbraw/zinc/39/65/59/209396559.db2.gz	STNDZYUKRMECAX-UHFFFAOYSA-N	-2	3	325.817	3.772	50	10		EHCAHL
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc([O-])c2ccccc12	ZINC000000081763	209406900	/nfs/dbraw/zinc/40/69/00/209406900.db2.gz	HCSXMNBZMJNQDV-UHFFFAOYSA-N	-2	3	331.368	3.794	50	10		EHCAHL
CC(C)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1	ZINC000000134757	563240018	/nfs/dbraw/zinc/24/00/18/563240018.db2.gz	OCMZYBIJNBPHSL-UHFFFAOYSA-N	-2	3	325.817	3.970	50	10		EHCAHL
Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(C)c2C)cc1	ZINC000000361236	563293790	/nfs/dbraw/zinc/29/37/90/563293790.db2.gz	DGZJHWPCRFNLSW-UHFFFAOYSA-N	-2	3	325.817	3.772	50	10		EHCAHL
Cc1ccccc1S(=O)(=O)[N-]c1cc(Cl)c([O-])c(Cl)c1	ZINC000000134751	563240037	/nfs/dbraw/zinc/24/00/37/563240037.db2.gz	IFRPXRLXPYRTCA-UHFFFAOYSA-N	-2	3	332.208	3.808	50	10		EHCAHL
COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)cc1	ZINC000000193552	564012197	/nfs/dbraw/zinc/01/21/97/564012197.db2.gz	CBUCHYZOTNTXHB-UHFFFAOYSA-N	-2	3	348.207	3.508	50	10		EHCAHL
CCOc1ccc(S(=O)(=O)[N-]c2ccc([O-])c3ccccc23)cc1	ZINC000000239842	563989095	/nfs/dbraw/zinc/98/90/95/563989095.db2.gz	WPQSHUMVTNKXSP-UHFFFAOYSA-N	-2	3	343.404	3.745	50	10		EHCAHL
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccccc1[O-]	ZINC000100989528	564017147	/nfs/dbraw/zinc/01/71/47/564017147.db2.gz	KWMLBRZFQIPLSI-GXDHUFHOSA-N	-2	3	327.771	3.764	50	10		EHCAHL
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccccc1[O-]	ZINC000021966100	212266729	/nfs/dbraw/zinc/26/67/29/212266729.db2.gz	WNMYDEHMYUFQPN-UVTDQMKNSA-N	-2	3	327.771	3.764	50	10		EHCAHL
CCc1ccc(S(=O)(=O)[N-]c2ccc([O-])c3ccccc23)cc1	ZINC000000134799	563240028	/nfs/dbraw/zinc/24/00/28/563240028.db2.gz	JJXIILZJBJAPRX-UHFFFAOYSA-N	-2	3	327.405	3.909	50	10		EHCAHL
O=S(=O)([N-]c1cc(Cl)c([O-])c2ccccc12)c1ccccc1	ZINC000000134744	563240040	/nfs/dbraw/zinc/24/00/40/563240040.db2.gz	PEJWCKUKFDSRPJ-UHFFFAOYSA-N	-2	3	333.796	4.000	50	10		EHCAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c3ccccc23)c(C)c1	ZINC000000189710	563594643	/nfs/dbraw/zinc/59/46/43/563594643.db2.gz	BUAHBIAKRIDOHI-UHFFFAOYSA-N	-2	3	327.405	3.963	50	10		EHCAHL