smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+](CCC[NH3+])Cc1ccc(N)c([N+](=O)[O-])c1	ZINC000097095588	410053043	/nfs/dbraw/zinc/05/30/43/410053043.db2.gz	HEDHVYBTMIVOEJ-UHFFFAOYSA-N	2	1	238.291	0.958	50	5		BCBAMP
C[N@@H+](CCC[NH3+])Cc1ccc(N)c([N+](=O)[O-])c1	ZINC000097095588	410053050	/nfs/dbraw/zinc/05/30/50/410053050.db2.gz	HEDHVYBTMIVOEJ-UHFFFAOYSA-N	2	1	238.291	0.958	50	5		BCBAMP
NC(=[NH2+])NC(=[NH2+])Nc1ccc([N+](=O)[O-])cc1	ZINC000005785460	181187458	/nfs/dbraw/zinc/18/74/58/181187458.db2.gz	BRGSYTBCYKKSBQ-UHFFFAOYSA-N	2	1	222.208	0.425	50	5		BCBAMP