smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CS)N1CC[NH2+]CCN(C(=O)CS)CC[NH2+]CC1	ZINC000043015862	183327757	/nfs/dbraw/zinc/32/77/57/183327757.db2.gz	MQXJSRFLOBWSAM-UHFFFAOYSA-N	2	2	320.484	-1.304	1	30		DAEFLP
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)NC(Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000100385922	574417343	/nfs/dbraw/zinc/41/73/43/574417343.db2.gz	CYNWUBMJQHLSTE-MRVPVSSYSA-N	2	2	311.346	-1.266	1	30	endogenous,in-vitro	DAEFLP
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)NC(Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC000100385922	574417344	/nfs/dbraw/zinc/41/73/44/574417344.db2.gz	CYNWUBMJQHLSTE-MRVPVSSYSA-N	2	2	311.346	-1.266	1	30	endogenous,in-vitro	DAEFLP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)NC(Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000100385926	574417351	/nfs/dbraw/zinc/41/73/51/574417351.db2.gz	CYNWUBMJQHLSTE-QMMMGPOBSA-N	2	2	311.346	-1.266	1	30	endogenous,in-vitro	DAEFLP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)NC(Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC000100385926	574417352	/nfs/dbraw/zinc/41/73/52/574417352.db2.gz	CYNWUBMJQHLSTE-QMMMGPOBSA-N	2	2	311.346	-1.266	1	30	endogenous,in-vitro	DAEFLP