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-])CN(CC[N@@H+](CC(=O)[O-])CC(=O)NCCN1C(=O)C=CC1=O)CC(=O)[O-]	ZINC000022061938	558460878	/nfs/dbraw/zinc/46/08/78/558460878.db2.gz	PFNWAIQNRXJGKZ-UHFFFAOYSA-N	-2	2	414.371	-3.115	10	0	in-vitro	HAAELL
O=C([O-])CN(CC[N@H+](CC(=O)[O-])CC(=O)NCCN1C(=O)C=CC1=O)CC(=O)[O-]	ZINC000022061938	558460876	/nfs/dbraw/zinc/46/08/76/558460876.db2.gz	PFNWAIQNRXJGKZ-UHFFFAOYSA-N	-2	2	414.371	-3.115	10	0	in-vitro	HAAELL
O=C([O-])CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)NCCN1C(=O)C=CC1=O	ZINC000022061938	558460873	/nfs/dbraw/zinc/46/08/73/558460873.db2.gz	PFNWAIQNRXJGKZ-UHFFFAOYSA-N	-2	2	414.371	-3.115	10	0	in-vitro	HAAELL