smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(COc2ccccc2C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c1	ZINC000409332269	231190688	/nfs/dbraw/zinc/19/06/88/231190688.db2.gz	QBQMQMYIJYCIDO-KTKRTIGZSA-N	-2	1	379.372	3.854	40	5		GHBBML
CC(C)Oc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1Br	ZINC000409341987	528131259	/nfs/dbraw/zinc/13/12/59/528131259.db2.gz	DEQLCTLKCGELHL-GQCTYLIASA-N	-2	1	396.197	3.516	40	5		GHBBML
O=c1[n-]c(C=Cc2ccc(-c3ccccc3C(F)(F)F)o2)nc([O-])c1[N+](=O)[O-]	ZINC000009010304	206305667	/nfs/dbraw/zinc/30/56/67/206305667.db2.gz	RIQXPCSAADVWRZ-VURMDHGXSA-N	-2	1	393.277	3.833	40	5		GHBBML
Cc1cccc(COc2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)cc2)c1	ZINC000409338598	231191418	/nfs/dbraw/zinc/19/14/18/231191418.db2.gz	MTFPCONJVRSABU-YFHOEESVSA-N	-2	1	379.372	3.854	40	5		GHBBML
O=c1[n-]c(C=Cc2ccccc2OCc2ccccc2Cl)nc([O-])c1[N+](=O)[O-]	ZINC000009234833	209819403	/nfs/dbraw/zinc/81/94/03/209819403.db2.gz	OMYRRGHOXRZUGQ-MDZDMXLPSA-N	-2	1	399.790	3.787	40	5		GHBBML
CCCOc1ccc(Br)cc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1	ZINC000409349150	528643851	/nfs/dbraw/zinc/64/38/51/528643851.db2.gz	VDOSPVSYGBWCBN-UTCJRWHESA-N	-2	1	396.197	3.518	40	5		GHBBML
Cc1cc(-c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)o2)c([N+](=O)[O-])cc1C	ZINC000409338261	231192116	/nfs/dbraw/zinc/19/21/16/231192116.db2.gz	GUUNRUAKVABYLJ-GQCTYLIASA-N	-2	1	398.331	3.751	40	5		GHBBML
CCCOc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1Br	ZINC000409339307	528640757	/nfs/dbraw/zinc/64/07/57/528640757.db2.gz	HBTDPOALMWXSLT-GQCTYLIASA-N	-2	1	396.197	3.518	40	5		GHBBML
COc1cc([N+](=O)[O-])cc(/C=C(/Sc2nc3ccccc3o2)C(=O)[O-])c1[O-]	ZINC000211512113	570966347	/nfs/dbraw/zinc/96/63/47/570966347.db2.gz	COXAUFWCRMGKNT-VGOFMYFVSA-N	-2	1	388.357	3.668	40	5		GHBBML