smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCNC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc21	ZINC000742231043	1076801919	/nfs/dbraw/zinc/80/19/19/1076801919.db2.gz	HXLDEGZXQVJRKK-UHFFFAOYSA-N	-2	1	406.420	2.193	20	5		HEBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)C(F)F)cc1	ZINC000766309630	1077379537	/nfs/dbraw/zinc/37/95/37/1077379537.db2.gz	FIOKKLIFZCFEKE-UHFFFAOYSA-N	-2	1	422.387	2.406	20	5		HEBDML
Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)cc1[N+](=O)[O-]	ZINC000742231777	1076802502	/nfs/dbraw/zinc/80/25/02/1076802502.db2.gz	WOIGBZRKEFEYNP-UHFFFAOYSA-N	-2	1	416.209	2.439	20	5		HEBDML
O=C([O-])c1coc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1	ZINC000785701497	1080171391	/nfs/dbraw/zinc/17/13/91/1080171391.db2.gz	HINBDNQHJSHPKD-UHFFFAOYSA-N	-2	1	405.182	2.127	20	5		HEBDML
Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCO3)cc([N+](=O)[O-])c1F	ZINC000768268282	1080451624	/nfs/dbraw/zinc/45/16/24/1080451624.db2.gz	GRKRZSABHVQVEG-UHFFFAOYSA-N	-2	1	412.351	2.313	20	5		HEBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(N2CCOCC2)c1	ZINC000766319714	1077443949	/nfs/dbraw/zinc/44/39/49/1077443949.db2.gz	CVTHCFGPNHAIHI-UHFFFAOYSA-N	-2	1	411.411	2.385	20	5		HEBDML
Cc1cc(S(=O)(=O)[N-]c2cc3c(c(C(=O)[O-])c2)OCCO3)cc([N+](=O)[O-])c1F	ZINC000768280101	1080482536	/nfs/dbraw/zinc/48/25/36/1080482536.db2.gz	PTZRNXBYWVSSOQ-UHFFFAOYSA-N	-2	1	412.351	2.313	20	5		HEBDML
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000746362755	1078875258	/nfs/dbraw/zinc/87/52/58/1078875258.db2.gz	BQNUYRMMKOBRDT-CQSZACIVSA-N	-2	1	407.379	2.189	20	5		HEBDML
CC(C)(C)OC(=O)CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000772198853	1079757490	/nfs/dbraw/zinc/75/74/90/1079757490.db2.gz	IVPPIAFEXPOHLC-SNVBAGLBSA-N	-2	1	422.843	2.102	20	5		HEBDML
COC(=O)CCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000786099529	1080393935	/nfs/dbraw/zinc/39/39/35/1080393935.db2.gz	PJSLRECYFUBHJV-UHFFFAOYSA-N	-2	1	408.388	2.199	20	5		HEBDML
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3(C(=O)[O-])CC3)cc2)cc1[N+](=O)[O-]	ZINC000537364992	939265335	/nfs/dbraw/zinc/26/53/35/939265335.db2.gz	YJWCOPMMWWCHGU-UHFFFAOYSA-N	-2	1	419.415	2.051	20	5		HEBDML