smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1ncc2c1nc1c(oc3cc([O-])cc([O-])c31)c2-c1cc2ccccc2[nH]c1=O	ZINC000409415519	231204618	/nfs/dbraw/zinc/20/46/18/231204618.db2.gz	NIAXOKOORRVCBB-UHFFFAOYSA-N	-2	3	398.378	4.200	50	5		GIBAHL
Cc1cccc2c(=O)c3c([O-])cc(OCc4ccc(C(=O)[O-])cc4)cc3oc12	ZINC000020611802	818627329	/nfs/dbraw/zinc/62/73/29/818627329.db2.gz	DXMMIWIPUFDPIY-UHFFFAOYSA-N	-2	3	376.364	4.237	50	5		GIBAHL
O=[N+]([O-])c1cc(Br)c([O-])c(/C=C/c2ccc3cccc([O-])c3n2)c1	ZINC000005770123	570275188	/nfs/dbraw/zinc/27/51/88/570275188.db2.gz	DFTMWPWKQMWEBO-FNORWQNLSA-N	-2	3	387.189	4.487	50	5		GIBAHL
Cn1ncc2c1[nH]c1c(oc3cc([O-])cc(=O)c31)c2-c1ccc([O-])c(Cl)c1	ZINC000524732565	570769882	/nfs/dbraw/zinc/76/98/82/570769882.db2.gz	PKBUQAXHNMTELN-UHFFFAOYSA-N	-2	3	381.775	4.305	50	5		GIBAHL