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](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCC[NH3+])[C@@H](C)O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000049867557	554326655	/nfs/dbraw/zinc/32/66/55/554326655.db2.gz	LDWBQGACJJOIKA-RHEFHGCGSA-N	1	3	563.653	-4.651	10	0		KAAEHO
CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(C)C)C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)C(C)C	ZINC000071788365	553638579	/nfs/dbraw/zinc/63/85/79/553638579.db2.gz	SRXHXTKEFVKPTO-WAUHAFJUSA-N	1	3	614.789	-2.276	10	0		KAAEHO
CC(C)C[C@H](NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000097972797	553967550	/nfs/dbraw/zinc/96/75/50/553967550.db2.gz	GGAZISNJIGFPHS-LROMGURASA-N	1	3	727.872	-1.881	10	0		KAAEHO
CC(C)C[C@H](NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000097972797	553967546	/nfs/dbraw/zinc/96/75/46/553967546.db2.gz	GGAZISNJIGFPHS-LROMGURASA-N	1	3	727.872	-1.881	10	0		KAAEHO