smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCCCCCCCCCNC(=O)NCCC[N+](C)(C)C[C@@H](O)CCl	ZINC000111905273	717148976	/nfs/dbraw/zinc/14/89/76/717148976.db2.gz	JNMQRCLRQYNZQJ-SANMLTNESA-O	1	0	491.225	6.613	10	50		JKGERO
CCCCCCCCCCCCCCCCCCNC(=O)NCCC[N+](C)(C)C[C@H](O)CCl	ZINC000111905268	717149284	/nfs/dbraw/zinc/14/92/84/717149284.db2.gz	JNMQRCLRQYNZQJ-AREMUKBSSA-O	1	0	491.225	6.613	10	50		JKGERO
CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCCSS(C)(=O)=O	ZINC000065748964	717132586	/nfs/dbraw/zinc/13/25/86/717132586.db2.gz	DXNKOIZLYYBMLB-UHFFFAOYSA-N	1	0	464.846	7.797	10	50	in-vitro	JKGERO
CCCCC[N+](CCCCC)(CCCCC)CCCCCCCCSS(C)(=O)=O	ZINC000022067394	717112872	/nfs/dbraw/zinc/11/28/72/717112872.db2.gz	ZBMIWBOEJHAYMH-UHFFFAOYSA-N	1	0	450.819	7.407	10	50	in-vitro	JKGERO
CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCCCCSS(C)(=O)=O	ZINC000077319878	717134907	/nfs/dbraw/zinc/13/49/07/717134907.db2.gz	UOKLOOGVBJFKJR-UHFFFAOYSA-N	1	0	492.900	8.578	10	50	in-vitro	JKGERO