smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)COc1cc(Br)c(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1OC	ZINC000016361843	523217789	/nfs/dbraw/zinc/21/77/89/523217789.db2.gz	AHAVXAGHJPLTKB-ARJAWSKDSA-N	-2	1	456.205	1.877	50	5		JDBAML
COC(=O)COc1c(Br)cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1OC	ZINC000012344304	555955949	/nfs/dbraw/zinc/95/59/49/555955949.db2.gz	WBMHOHOMVSUHKW-ONEGZZNKSA-N	-2	1	456.205	1.877	50	5		JDBAML
COCCNC(=S)NNc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000009631560	555460407	/nfs/dbraw/zinc/46/04/07/555460407.db2.gz	NXVYEQFKXFPZOM-UHFFFAOYSA-N	-2	1	469.501	1.531	50	5		JDBAML
COC(=O)COc1cc(Br)c(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1OC	ZINC000009234887	555008834	/nfs/dbraw/zinc/00/88/34/555008834.db2.gz	AHAVXAGHJPLTKB-ONEGZZNKSA-N	-2	1	456.205	1.877	50	5		JDBAML