smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=NNc1nc(C)cc(=O)[n-]1)C(=O)[O-]	ZINC000000116817	188098627	/nfs/dbraw/zinc/09/86/27/188098627.db2.gz	WRWMCDGJBXKZQH-VZUCSPMQSA-N	-2	1	210.193	-0.049	40	30	in-vitro	BBEBML
O=C([O-])c1cc([O-])c2c([nH+]1)C(=O)C=C([O-])C2=O	ZINC000004626802	342749740	/nfs/dbraw/zinc/74/97/40/342749740.db2.gz	STDAOZXVODUFIH-UHFFFAOYSA-N	-2	1	235.151	-0.106	40	30		BBEBML