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-])CN1CC[NH+](CC(=O)[O-])CCN(CC(=O)NCCS)CC[N@H+](CC(=O)[O-])CC1	ZINC000044137688	527609320	/nfs/dbraw/zinc/60/93/20/527609320.db2.gz	QWZAFKACIMRLPV-UHFFFAOYSA-N	-1	1	463.557	-2.492	40	30		JAEBMM