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[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027330722	561854896	/nfs/dbraw/zinc/85/48/96/561854896.db2.gz	BFBVBPGZHZLSEB-DUSBTPNUSA-N	1	3	617.796	-0.853	10	30		KBEEHO