smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@H](N)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000071788336	553638250	/nfs/dbraw/zinc/63/82/50/553638250.db2.gz	JMOBNIOFQRLGTE-XSLAGTTESA-N	2	3	529.687	-1.970	10	0		KAAEHP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)CCCC[NH3+])C(=O)[O-]	ZINC000071788357	553638656	/nfs/dbraw/zinc/63/86/56/553638656.db2.gz	PXOPRMBOLQDHOB-AJNGGQMLSA-N	2	3	545.646	-4.499	10	0		KAAEHP
NC(=[NH2+])NCCC[C@H](N)C(=O)NCCCC[NH2+]CCC(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O	ZINC000095579747	562771653	/nfs/dbraw/zinc/77/16/53/562771653.db2.gz	FWMLZLXWSGWYGY-GOTSBHOMSA-N	2	3	664.809	-2.130	10	0		KAAEHP