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-])c1c(O)cccc1CC(=O)c1ccc([O-])c(O)c1	ZINC000072112703	176317503	/nfs/dbraw/zinc/31/75/03/176317503.db2.gz	FIXMXSICQFRCLX-UHFFFAOYSA-N	-2	1	288.255	1.927	1	10	in-vitro	CDCFML
O=Cc1c([O-])cc2c(c1[O-])C(=O)c1ccccc1C2=O	ZINC000003918875	560191454	/nfs/dbraw/zinc/19/14/54/560191454.db2.gz	NSGZEHPFOUCUHD-UHFFFAOYSA-N	-2	1	268.224	1.686	1	10	biogenic,in-vitro	CDCFML
O=C1c2cccc([O-])c2C(=O)c2c([O-])ccc([N+](=O)[O-])c21	ZINC000035283738	172102320	/nfs/dbraw/zinc/10/23/20/172102320.db2.gz	RIYCICFDXLNQPV-UHFFFAOYSA-N	-2	1	285.211	1.781	1	10	in-vivo	CDCFML
O=C([O-])C1=CC(O)=C2C(=O)c3c(O)cccc3C([O-])=C2C1	ZINC000059736840	560082302	/nfs/dbraw/zinc/08/23/02/560082302.db2.gz	HHQNGUQUHZYDEP-UFBFGSQYSA-N	-2	1	286.239	1.470	1	10	biogenic,in-vitro	CDCFML