smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Br)c([O-])cc2O)[nH]1	ZINC000033579033	519588984	/nfs/dbraw/zinc/58/89/84/519588984.db2.gz	QSKUFCBPRNARPZ-OWOJBTEDSA-N	-2	1	370.115	1.728	40	5		FDBBML
COc1cccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)c1OCC(=O)[O-]	ZINC000102653315	222302945	/nfs/dbraw/zinc/30/29/45/222302945.db2.gz	YFOGEHLJFQNLRN-WAYWQWQTSA-N	-2	1	363.282	1.026	40	5		FDBBML
Cc1n[nH]c(SC(=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C(=O)[O-])n1	ZINC000409189152	570737281	/nfs/dbraw/zinc/73/72/81/570737281.db2.gz	DJQODKNZRHRZMV-OQFOIZHKSA-N	-2	1	367.299	1.853	40	5		FDBBML
Cc1nc(SC(=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C(=O)[O-])n[nH]1	ZINC000409189152	570737285	/nfs/dbraw/zinc/73/72/85/570737285.db2.gz	DJQODKNZRHRZMV-OQFOIZHKSA-N	-2	1	367.299	1.853	40	5		FDBBML
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1OCC(=O)[O-]	ZINC000102653310	222302018	/nfs/dbraw/zinc/30/20/18/222302018.db2.gz	RBHBEWQWGSWVRQ-HYXAFXHYSA-N	-2	1	363.282	1.026	40	5		FDBBML