smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(NCCCNc2cccc[nH+]2)c(Cl)c1	ZINC000060842774	563675687	/nfs/dbraw/zinc/67/56/87/563675687.db2.gz	CHLHAROYZOEBHO-UHFFFAOYSA-N	1	2	306.753	3.557	40	5		DHBBLO
C[N@H+](Cc1cc([N+](=O)[O-])c(O)c2ncccc12)C1CCCCC1	ZINC000005509856	181251304	/nfs/dbraw/zinc/25/13/04/181251304.db2.gz	AMOQMMSTNWRZJY-UHFFFAOYSA-N	1	2	315.373	3.613	40	5		DHBBLO
C[N@@H+](Cc1cc([N+](=O)[O-])c(O)c2ncccc12)C1CCCCC1	ZINC000005509856	181251305	/nfs/dbraw/zinc/25/13/05/181251305.db2.gz	AMOQMMSTNWRZJY-UHFFFAOYSA-N	1	2	315.373	3.613	40	5		DHBBLO
COc1ccc(Cn2c[nH+]c3cc(C)c(C)cc32)cc1[N+](=O)[O-]	ZINC000047370084	332300870	/nfs/dbraw/zinc/30/08/70/332300870.db2.gz	QVRYAKURAINYFS-UHFFFAOYSA-N	1	2	311.341	3.618	40	5		DHBBLO
O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CC[N@H+](Cc1ccccc1)C3	ZINC000068605548	563928659	/nfs/dbraw/zinc/92/86/59/563928659.db2.gz	POGCQEBHWYPVRZ-UHFFFAOYSA-N	1	2	307.353	3.634	40	5		DHBBLO
O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CC[N@@H+](Cc1ccccc1)C3	ZINC000068605548	563928660	/nfs/dbraw/zinc/92/86/60/563928660.db2.gz	POGCQEBHWYPVRZ-UHFFFAOYSA-N	1	2	307.353	3.634	40	5		DHBBLO