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(Oc1cccc2oc(=O)[n-]c21)c1ccc([N+](=O)[O-])cc1	ZINC000095604000	185382294	/nfs/dbraw/zinc/38/22/94/185382294.db2.gz	YOAKXXSDMIDKKS-UHFFFAOYSA-N	-1	3	300.226	2.249	1	5		DEBFHM
O=c1oc(Oc2ccc([N+](=O)[O-])cc2)nn1-c1ccc([O-])cc1	ZINC000140584378	186027665	/nfs/dbraw/zinc/02/76/65/186027665.db2.gz	WTDYOQODUWRCLM-UHFFFAOYSA-N	-1	3	315.241	2.232	1	5		DEBFHM
O=C(Oc1cccc2oc(=O)[n-]c21)c1ccccc1[N+](=O)[O-]	ZINC000095603162	185382355	/nfs/dbraw/zinc/38/23/55/185382355.db2.gz	CWOPTEVHAURXFG-UHFFFAOYSA-N	-1	3	300.226	2.249	1	5		DEBFHM
O=C(Oc1cccc2oc(=O)[n-]c21)c1cccc([N+](=O)[O-])c1	ZINC000095601097	185382301	/nfs/dbraw/zinc/38/23/01/185382301.db2.gz	BKTBBNOOBGADMJ-UHFFFAOYSA-N	-1	3	300.226	2.249	1	5		DEBFHM
COC(=O)c1c(O)c(C)cc2oc3cccc(=O)c-3c([O-])c21	ZINC000040395675	183061012	/nfs/dbraw/zinc/06/10/12/183061012.db2.gz	APZXMGSEKPQHCA-UHFFFAOYSA-N	-1	3	300.266	2.452	1	5		DEBFHM
COC(=O)c1c(O)c(C)cc2oc3cccc([O-])c3c(=O)c21	ZINC000040395675	183061015	/nfs/dbraw/zinc/06/10/15/183061015.db2.gz	APZXMGSEKPQHCA-UHFFFAOYSA-N	-1	3	300.266	2.452	1	5		DEBFHM
O=C([N-]c1ncc([N+](=O)[O-])s1)c1ccc([N+](=O)[O-])s1	ZINC000095562768	185379849	/nfs/dbraw/zinc/37/98/49/185379849.db2.gz	KPPWPQNDTUMUOJ-UHFFFAOYSA-N	-1	3	300.277	2.273	1	5		DEBFHM
COc1cc(=O)c2c([O-])c3ccc(OC)c(OC)c3n(C)c-2c1	ZINC000014725178	571722039	/nfs/dbraw/zinc/72/20/39/571722039.db2.gz	CHCYJKZBXNSGCG-UHFFFAOYSA-N	-1	3	315.325	2.423	1	5	endogenous,in-man	DEBFHM
COc1cc([O-])c2c(=O)c3ccc(OC)c(OC)c3n(C)c2c1	ZINC000014725178	571722042	/nfs/dbraw/zinc/72/20/42/571722042.db2.gz	CHCYJKZBXNSGCG-UHFFFAOYSA-N	-1	3	315.325	2.423	1	5	endogenous,in-man	DEBFHM
COc1c(O)ccc2oc3cc(=O)c(OC)c(O)c-3c([O-])c21	ZINC000014648916	560223849	/nfs/dbraw/zinc/22/38/49/560223849.db2.gz	KUNUETKBUPYSON-UHFFFAOYSA-N	-1	3	304.254	2.080	1	5	biogenic,in-vitro	DEBFHM
COc1c([O-])cc2oc3ccc(O)c(OC)c3c(=O)c2c1O	ZINC000014648916	560223851	/nfs/dbraw/zinc/22/38/51/560223851.db2.gz	KUNUETKBUPYSON-UHFFFAOYSA-N	-1	3	304.254	2.080	1	5	biogenic,in-vitro	DEBFHM
COc1cc(O)c2c(=O)c3ccc([O-])c(OC)c3n(C)c2c1	ZINC000003801131	181046528	/nfs/dbraw/zinc/04/65/28/181046528.db2.gz	OQMSMWRXIZYYNR-UHFFFAOYSA-N	-1	3	301.298	2.120	1	5	endogenous,in-man	DEBFHM