smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1cccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1[O-]	ZINC000552287490	406701501	/nfs/dbraw/zinc/70/15/01/406701501.db2.gz	UBJQHTHEOOMDRV-UHFFFAOYSA-N	-2	1	316.269	2.461	10	5		DEBEML
CC(C)(C)CS(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000080187345	192010338	/nfs/dbraw/zinc/01/03/38/192010338.db2.gz	XORSFEGGPFYELC-UHFFFAOYSA-N	-2	1	316.335	2.081	10	5		DEBEML
CC(C)(C)CS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000080188477	192011020	/nfs/dbraw/zinc/01/10/20/192011020.db2.gz	VHYXPHSAJHKTMO-UHFFFAOYSA-N	-2	1	316.335	2.081	10	5		DEBEML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1	ZINC000194650461	225185019	/nfs/dbraw/zinc/18/50/19/225185019.db2.gz	JQSVWDNFEKWTGW-UHFFFAOYSA-N	-2	1	312.278	2.240	10	5		DEBEML
Cc1nc(-c2c(Cl)cccc2[N+](=O)[O-])[n-]c(=O)c1C(=O)[O-]	ZINC000111008518	194381654	/nfs/dbraw/zinc/38/16/54/194381654.db2.gz	DJLDYSHPQZRMPL-UHFFFAOYSA-N	-2	1	309.665	2.005	10	5		DEBEML
Cc1cc(=O)[n-]c(Sc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)n1	ZINC000021814484	182292775	/nfs/dbraw/zinc/29/27/75/182292775.db2.gz	FAMALYYFWDVCRE-UHFFFAOYSA-N	-2	1	307.287	2.248	10	5		DEBEML
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccccc2[O-])cc1F	ZINC000149020902	186047025	/nfs/dbraw/zinc/04/70/25/186047025.db2.gz	NLWAVAYLHKQFKJ-UHFFFAOYSA-N	-2	1	312.278	2.240	10	5		DEBEML
Cc1c(Sc2nccc(=O)[n-]2)cc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000043387280	183358081	/nfs/dbraw/zinc/35/80/81/183358081.db2.gz	AYOVNAVEMBTTAR-UHFFFAOYSA-N	-2	1	307.287	2.248	10	5		DEBEML
Cc1cc(=O)[n-]c(Sc2ccc([N+](=O)[O-])cc2C(=O)[O-])n1	ZINC000021811759	182292202	/nfs/dbraw/zinc/29/22/02/182292202.db2.gz	UXFGHTNGYAIZPB-UHFFFAOYSA-N	-2	1	307.287	2.248	10	5		DEBEML