smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c(=O)c2c([O-])cc([O-])cc2oc1-c1cc(O)c(O)c(CC=C(C)C)c1	ZINC000005430825	291132430	/nfs/dbraw/zinc/13/24/30/291132430.db2.gz	VCKYLOIMXUHPDA-UHFFFAOYSA-N	-2	3	384.384	3.800	1	10	endogenous,in-man	GHCFHL
O=c1c2cc(O)c([O-])cc2oc2cc([O-])cc(OCc3cccc([N+](=O)[O-])c3)c12	ZINC000072176279	205317713	/nfs/dbraw/zinc/31/77/13/205317713.db2.gz	URNDPXQSAZWIFU-UHFFFAOYSA-N	-2	3	395.323	3.550	1	10		GHCFHL
O=C([O-])c1cc2cc(O)c([O-])cc2c(C(=O)c2ccc(Cl)cc2Cl)n1	ZINC000013470145	210063378	/nfs/dbraw/zinc/06/33/78/210063378.db2.gz	MPVYRJFQIDKHMY-UHFFFAOYSA-N	-2	3	378.167	3.882	1	10		GHCFHL
O=C([O-])c1cc2cc([O-])c(O)cc2c(C(=O)c2ccc(Cl)cc2Cl)n1	ZINC000013470145	210063381	/nfs/dbraw/zinc/06/33/81/210063381.db2.gz	MPVYRJFQIDKHMY-UHFFFAOYSA-N	-2	3	378.167	3.882	1	10		GHCFHL
O=c1c2cc(O)c([O-])cc2oc2cc([O-])cc(OCc3ccccc3[N+](=O)[O-])c12	ZINC000072176664	222216198	/nfs/dbraw/zinc/21/61/98/222216198.db2.gz	BCBIIKXOEGCIOW-UHFFFAOYSA-N	-2	3	395.323	3.550	1	10		GHCFHL
CC(C)CCC(=O)Oc1cc([O-])cc2oc(-c3ccc([O-])c(O)c3)cc(=O)c12	ZINC000064448898	222070400	/nfs/dbraw/zinc/07/04/00/222070400.db2.gz	FRIZMQICGPXSSF-UHFFFAOYSA-N	-2	3	384.384	3.918	1	10		GHCFHL