smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@H](CCOc1ccc(/C(=N\O)C(=O)N[C@H]2CN([C@H](C(=O)[O-])c3ccc(O)cc3)C2=O)cc1)C(=O)[O-]	ZINC000008663627	553108895	/nfs/dbraw/zinc/10/88/95/553108895.db2.gz	CTNZOGJNVIFEBA-CAORMZFXSA-N	-1	2	500.464	-0.096	10	30	in-vitro	KBEELM
[NH3+][C@H](CCOc1ccc(/C(=N/O)C(=O)N[C@H]2CN([C@@H](C(=O)[O-])c3ccc(O)cc3)C2=O)cc1)C(=O)[O-]	ZINC000013508104	560217667	/nfs/dbraw/zinc/21/76/67/560217667.db2.gz	CTNZOGJNVIFEBA-UPSUJEDGSA-N	-1	2	500.464	-0.096	10	30	in-vitro	KBEELM
[NH3+][C@@H](CCOc1ccc(/C(=N/O)C(=O)N[C@H]2CN([C@@H](C(=O)[O-])c3ccc(O)cc3)C2=O)cc1)C(=O)[O-]	ZINC000013519432	560218324	/nfs/dbraw/zinc/21/83/24/560218324.db2.gz	CTNZOGJNVIFEBA-MOKAZRKYSA-N	-1	2	500.464	-0.096	10	30	in-vitro	KBEELM
[NH3+][C@H](CCOc1ccc(/C(=N/O)C(=O)N[C@H]2CN([C@H](C(=O)[O-])c3ccc(O)cc3)C2=O)cc1)C(=O)[O-]	ZINC000016342995	553560439	/nfs/dbraw/zinc/56/04/39/553560439.db2.gz	CTNZOGJNVIFEBA-VYVIOFIUSA-N	-1	2	500.464	-0.096	10	30	in-vitro	KBEELM