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([O-])c1cc([N+](=O)[O-])cc2c1n[nH][n+]2[O-]	ZINC000003330983	371957978	/nfs/dbraw/zinc/95/79/78/371957978.db2.gz	ONWVRCAVJNJDKP-UHFFFAOYSA-N	-1	1	224.132	-0.197	40	5		BBBBMM
CCS(=O)(=O)c1nc([N+](=O)[O-])n[n-]1	ZINC000005718947	346965823	/nfs/dbraw/zinc/96/58/23/346965823.db2.gz	IMVGHMBIMMCWBR-UHFFFAOYSA-N	-1	1	206.183	-0.494	40	5		BBBBMM
CCS(=O)(=O)c1nnc([N+](=O)[O-])[n-]1	ZINC000005718947	346965820	/nfs/dbraw/zinc/96/58/20/346965820.db2.gz	IMVGHMBIMMCWBR-UHFFFAOYSA-N	-1	1	206.183	-0.494	40	5		BBBBMM
Nc1nc(=O)n2c3ccccc3c(=O)[n-]c2n1	ZINC000019819812	342958644	/nfs/dbraw/zinc/95/86/44/342958644.db2.gz	CRBARQJYAVZHKA-UHFFFAOYSA-N	-1	1	229.199	-0.487	40	5		BBBBMM
Cc1cc(O)c([N+](=O)[O-])c(=O)n1CC(=O)[O-]	ZINC000081976919	388722777	/nfs/dbraw/zinc/72/27/77/388722777.db2.gz	XUHHQQPFQLOWAV-UHFFFAOYSA-N	-1	1	228.160	-0.145	40	5		BBBBMM