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)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000040164439	571756217	/nfs/dbraw/zinc/75/62/17/571756217.db2.gz	QVZKZDOWTVQTPL-OVWQWFNUSA-N	0	3	524.623	-2.309	10	30	endogenous,in-man	KAEEHN
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCC[NH3+])C(=O)[O-]	ZINC000072170332	562730305	/nfs/dbraw/zinc/73/03/05/562730305.db2.gz	WPZPUDYAMRTIGH-BTNSXGMBSA-N	0	3	715.896	-2.202	10	30		KAEEHN
C[C@@H](O)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCC[NH3+])C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000147512500	571456728	/nfs/dbraw/zinc/45/67/28/571456728.db2.gz	YLMDZVLJMXJONY-DWTGPMEZSA-N	0	3	627.812	-3.859	10	30		KAEEHN