smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c2cc([N+](=O)[O-])cc1CNC(=O)CN1CCOCCOCCN(CCOCCOCC1)CC(=O)NC2	ZINC000005924562	561700372	/nfs/dbraw/zinc/70/03/72/561700372.db2.gz	GXLFGRWMAFCLDG-UHFFFAOYSA-N	0	2	553.613	-0.467	1	5		KBBFLN
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CNC(=O)c1nn[n-]n1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000029127889	562000356	/nfs/dbraw/zinc/00/03/56/562000356.db2.gz	RMWYNAVZNJDNNE-WBAQKLHDSA-N	0	2	709.765	-0.436	1	5		KBBFLN
CSCC[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccccc1N)C(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(N)=O	ZINC000049833010	562687418	/nfs/dbraw/zinc/68/74/18/562687418.db2.gz	ARJAXPOYPGBRMD-LRGYGIHKSA-N	0	2	674.737	-0.928	1	5		KBBFLN
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)c1ccccc1N)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(N)=O	ZINC000095540793	562756007	/nfs/dbraw/zinc/75/60/07/562756007.db2.gz	FQVOZYJIUMARMY-DZYYUUKXSA-N	0	2	758.830	-0.887	1	5		KBBFLN
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CNC(=O)c1nn[n-]n1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000095607764	562783094	/nfs/dbraw/zinc/78/30/94/562783094.db2.gz	FWESMVVJULJCLI-WBAQKLHDSA-N	0	2	754.762	-0.528	1	5		KBBFLN
C[C@H](NC(=O)[C@H](CO)NC(=O)c1ccccc1N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(N)=O	ZINC000095614934	562786961	/nfs/dbraw/zinc/78/69/61/562786961.db2.gz	HLJOHAUYIJFIAY-NARHFVKUSA-N	0	2	746.778	-0.591	1	5		KBBFLN