smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)N(CC2CCCCC2)C3)[C@H](O)[C@@H]1O	ZINC000097976410	553969327	/nfs/dbraw/zinc/96/93/27/553969327.db2.gz	OYKVMVLQXKUPIX-PAANBGOBSA-N	0	3	571.697	-2.393	10	0		KAAEHN
CS(=O)(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)N(C2CCCC2)C3)[C@H](O)[C@@H]1O	ZINC000097976467	553970350	/nfs/dbraw/zinc/97/03/50/553970350.db2.gz	IGMJPSFGGIVKMQ-QYVNXHJBSA-N	0	3	543.643	-3.030	10	0		KAAEHN
COCC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)N(C1CCN(C)CC1)C3)[C@H](O)[C@@H]2O	ZINC000097976623	553971824	/nfs/dbraw/zinc/97/18/24/553971824.db2.gz	ZCPQIEJLYSEGNU-VICWBLINSA-N	0	3	553.657	-2.765	10	0		KAAEHN
NC[C@@H]1O[C@@H](C(=O)NCCCC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(=O)[O-])NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC2=O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000301320003	572143116	/nfs/dbraw/zinc/14/31/16/572143116.db2.gz	GUPUFVWCDYSPBQ-BUFNZIFYSA-N	0	3	792.848	-5.869	10	0		KAAEHN
NC[C@@H]1O[C@@H](C(=O)NCCCC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(=O)[O-])NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC2=O)[C@H](O)[C@H](O)[C@@H]1O	ZINC000301320004	572143075	/nfs/dbraw/zinc/14/30/75/572143075.db2.gz	GUPUFVWCDYSPBQ-DRKWXVHISA-N	0	3	792.848	-5.869	10	0		KAAEHN
NC[C@@H]1O[C@@H](C(=O)NCCCC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(=O)[O-])NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC2=O)[C@H](O)[C@@H](O)[C@H]1O	ZINC000301320005	572143187	/nfs/dbraw/zinc/14/31/87/572143187.db2.gz	GUPUFVWCDYSPBQ-NRSZZCKHSA-N	0	3	792.848	-5.869	10	0		KAAEHN
NC[C@@H]1O[C@@H](C(=O)NCCCC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(=O)[O-])NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC2=O)[C@H](O)[C@H](O)[C@H]1O	ZINC000301320006	572143151	/nfs/dbraw/zinc/14/31/51/572143151.db2.gz	GUPUFVWCDYSPBQ-YWAITBFISA-N	0	3	792.848	-5.869	10	0		KAAEHN