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-])c1sccc1[N-]C(=O)c1ccc([N+](=O)[O-])o1	ZINC000002149142	361229080	/nfs/dbraw/zinc/22/90/80/361229080.db2.gz	KJCZVOAIBZGWPL-UHFFFAOYSA-N	-2	3	282.233	2.200	50	5		CEBAHL
O=C([O-])c1ccc(/N=c2\ccc([N+](=O)[O-])ccc2[O-])cc1	ZINC000036485138	304232614	/nfs/dbraw/zinc/23/26/14/304232614.db2.gz	CNVZCNZGGGASJJ-UHFFFAOYSA-N	-2	3	286.243	2.231	50	5		CEBAHL
COc1c(=O)cc2oc3cc([O-])cc(C)c3c([O-])c-2c1[O-]	ZINC000014761272	394465236	/nfs/dbraw/zinc/46/52/36/394465236.db2.gz	IMMSZLMLFUYPBT-UHFFFAOYSA-N	-3	3	288.255	2.380	50	5		CEBAHL
O=C([O-])c1c2ccccc2[nH]c2cc([O-])cc(=O)c1-2	ZINC000100124717	304218187	/nfs/dbraw/zinc/21/81/87/304218187.db2.gz	JYTNCILGSJWIDM-UHFFFAOYSA-N	-2	3	255.229	2.497	50	5		CEBAHL
COC(=O)c1c([O-])[n-]c2cc3ccccc3cc2c1=O	ZINC000032919415	326898435	/nfs/dbraw/zinc/89/84/35/326898435.db2.gz	UNJVFWBXPFCUMS-UHFFFAOYSA-N	-2	3	269.256	2.174	50	5		CEBAHL
COc1cc([O-])c2c(c1)oc1c([O-])cccc1c2=O	ZINC000006483511	361336533	/nfs/dbraw/zinc/33/65/33/361336533.db2.gz	IQIGECASJMDDMD-UHFFFAOYSA-N	-2	3	258.229	2.366	50	5	biogenic,in-vitro	CEBAHL
COc1cc([O-])c2c([O-])c3c(=O)ccc(O)c-3oc2c1	ZINC000005732370	277385945	/nfs/dbraw/zinc/38/59/45/277385945.db2.gz	JDIORNFCMMYMLF-UHFFFAOYSA-N	-2	3	274.228	2.072	50	5	biogenic,in-vitro	CEBAHL
COc1cc(=O)c2c([O-])c3c([O-])ccc(O)c3oc-2c1	ZINC000005732370	277385946	/nfs/dbraw/zinc/38/59/46/277385946.db2.gz	JDIORNFCMMYMLF-UHFFFAOYSA-N	-2	3	274.228	2.072	50	5	biogenic,in-vitro	CEBAHL
Cc1cc([O-])cc2oc(=O)c3c(O)cc([O-])cc3c12	ZINC000000402623	361170570	/nfs/dbraw/zinc/17/05/70/361170570.db2.gz	CEBXXEKPIIDJHL-UHFFFAOYSA-N	-2	3	258.229	2.371	50	5	endogenous,in-man	CEBAHL
Cc1cc([O-])cc2oc3cc(O)cc(=O)c-3c([O-])c12	ZINC000005765089	170138395	/nfs/dbraw/zinc/13/83/95/170138395.db2.gz	AQZHBCDRWFMXIN-UHFFFAOYSA-N	-2	3	258.229	2.371	50	5	biogenic,in-vitro	CEBAHL
Cc1cc([O-])cc2oc3cc([O-])cc(O)c3c(=O)c12	ZINC000005765089	170138397	/nfs/dbraw/zinc/13/83/97/170138397.db2.gz	AQZHBCDRWFMXIN-UHFFFAOYSA-N	-2	3	258.229	2.371	50	5	biogenic,in-vitro	CEBAHL
O=C([O-])COc1cc([O-])c2c(c1)oc1ccccc1c2=O	ZINC000020611226	171267354	/nfs/dbraw/zinc/26/73/54/171267354.db2.gz	JZQZYHHISUPRLN-UHFFFAOYSA-N	-2	3	286.239	2.115	50	5		CEBAHL
O=c1nc(C=Cc2ccc(F)cc2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000030840450	361704110	/nfs/dbraw/zinc/70/41/10/361704110.db2.gz	VRYZGNADRIKCIK-UTCJRWHESA-N	-2	3	277.211	2.106	50	5		CEBAHL
O=C([N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cocn1	ZINC000095939387	185034903	/nfs/dbraw/zinc/03/49/03/185034903.db2.gz	XVFYHCOOHAQINZ-UHFFFAOYSA-N	-2	3	283.627	2.194	50	5		CEBAHL