smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNCc1cn(C[C@H]2O[C@@H](CC(=O)N3CCN(c4ccccc4OC)CC3)[C@H](O)[C@@H]2O)nn1	ZINC000008627142	522145648	/nfs/dbraw/zinc/14/56/48/522145648.db2.gz	MZGQYNJJUYJCRH-YUVXSKOASA-N	0	1	460.535	-0.766	10	0	biogenic	JBAEMN
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000014975452	563010285	/nfs/dbraw/zinc/01/02/85/563010285.db2.gz	RJEUERNNQHNSKG-CCKFTAQKSA-N	0	1	455.515	-0.904	10	0		JBAEMN
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O	ZINC000027863887	563052314	/nfs/dbraw/zinc/05/23/14/563052314.db2.gz	JWZLANUHRXGDET-CCKFTAQKSA-N	0	1	455.515	-0.904	10	0		JBAEMN
COc1ccc2c3c1O[C@H]1C[C@@H](O[C@H]4O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]4O)C=C[C@@]31CC[N@H+](C)C2	ZINC000077293005	569705821	/nfs/dbraw/zinc/70/58/21/569705821.db2.gz	YWSWSACTOVQVLT-PWLISGMRSA-N	0	1	463.483	-0.233	10	0	in-vitro	JBAEMN