smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1cc([O-])c([N+](=O)[O-])cc1C(=O)[O-]	39084497	169287025	/nfs/dbraw/zinc/28/70/25/169287025.db2.gz	LRSAVIYRSAMFRJ-UHFFFAOYSA-N	-2	0	198.134	0.581	50	5	in-vitro	ACBARL
O=C([O-])Cc1ccc([N+](=O)[O-])c([O-])c1	118892611	169343673	/nfs/dbraw/zinc/34/36/73/169343673.db2.gz	USYXXSPSICUYRL-UHFFFAOYSA-N	-2	0	197.146	0.928	50	5		ACBARL
O=C([O-])c1cc([O-])ccc1[N+](=O)[O-]	163338	169356749	/nfs/dbraw/zinc/35/67/49/169356749.db2.gz	BUHKQTKKZAXSMH-UHFFFAOYSA-N	-2	0	183.119	0.999	50	5	in-vitro	ACBARL
O=C([O-])c1cc([N+](=O)[O-])c([O-])cc1O	39289825	169356948	/nfs/dbraw/zinc/35/69/48/169356948.db2.gz	DVHFWKCHUQZGSF-UHFFFAOYSA-N	-2	0	199.118	0.704	50	5	in-vitro	ACBARL
O=C([O-])c1ccc([O-])c([N+](=O)[O-])c1	156013	169358356	/nfs/dbraw/zinc/35/83/56/169358356.db2.gz	QRYSWXFQLFLJTC-UHFFFAOYSA-N	-2	0	183.119	0.999	50	5	in-vitro	ACBARL
O=C([O-])c1ccc([N+](=O)[O-])c([O-])c1	164913	169358403	/nfs/dbraw/zinc/35/84/03/169358403.db2.gz	XLDLRRGZWIEEHT-UHFFFAOYSA-N	-2	0	183.119	0.999	50	5		ACBARL
O=C([O-])c1cccc([O-])c1[N+](=O)[O-]	1610714	169358649	/nfs/dbraw/zinc/35/86/49/169358649.db2.gz	KPDBKQKRDJPBRM-UHFFFAOYSA-N	-2	0	183.119	0.999	50	5		ACBARL
O=C([O-])c1cccc([N+](=O)[O-])c1[O-]	1555336	169358682	/nfs/dbraw/zinc/35/86/82/169358682.db2.gz	WWWFHFGUOIQNJC-UHFFFAOYSA-N	-2	0	183.119	0.999	50	5	in-vitro	ACBARL
O=C([O-])Cc1cc([N+](=O)[O-])ccc1[O-]	2529221	171007006	/nfs/dbraw/zinc/00/70/06/171007006.db2.gz	ORXCFNAIXBBSJC-UHFFFAOYSA-N	-2	0	197.146	0.928	50	5	in-vitro	ACBARL
O=C([O-])Cc1ccc([O-])c([N+](=O)[O-])c1	3861564	171215394	/nfs/dbraw/zinc/21/53/94/171215394.db2.gz	QBHBHOSRLDPIHG-UHFFFAOYSA-N	-2	0	197.146	0.928	50	5	in-man	ACBARL