smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](CC(=O)NNC(=O)C[NH+](C)C)NC(=O)[O-]	ZINC000824671728	603558795	/nfs/dbraw/zinc/55/87/95/603558795.db2.gz	KSVFITBHPXUQLT-LURJTMIESA-N	0	1	246.267	-1.258	20	50		BAGDMN
C[C@H](CC(=O)NNC(=O)C[NH+](C)C)NC(=O)[O-]	ZINC000824671729	603558690	/nfs/dbraw/zinc/55/86/90/603558690.db2.gz	KSVFITBHPXUQLT-ZCFIWIBFSA-N	0	1	246.267	-1.258	20	50		BAGDMN
CC[C@H](NC(=O)[O-])C(=O)NNC(=O)C[NH+](C)C	ZINC000827523966	605157264	/nfs/dbraw/zinc/15/72/64/605157264.db2.gz	AVKPBDZSZVYQTO-LURJTMIESA-N	0	1	246.267	-1.258	20	50		BAGDMN
CCC[N@@H+](C)CC(=O)NNC(=O)CNC(=O)[O-]	ZINC000833852936	605464680	/nfs/dbraw/zinc/46/46/80/605464680.db2.gz	FEFCFMYBGOFBJK-UHFFFAOYSA-N	0	1	246.267	-1.257	20	50		BAGDMN
O=C([O-])NNC(=O)[C@H]1C[N@H+]2CCN1CCC2	ZINC000834251344	605810986	/nfs/dbraw/zinc/81/09/86/605810986.db2.gz	UDFWVOZYUWJJBS-SSDOTTSWSA-N	0	1	228.252	-1.325	20	50		BAGDMN
O=C([O-])NNC(=O)[C@@H]1C[N@H+]2CCN1CCC2	ZINC000834251351	605810728	/nfs/dbraw/zinc/81/07/28/605810728.db2.gz	UDFWVOZYUWJJBS-ZETCQYMHSA-N	0	1	228.252	-1.325	20	50		BAGDMN