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-])c1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cc1	ZINC000003112043	552289526	/nfs/dbraw/zinc/28/95/26/552289526.db2.gz	RSBSKTFXXNFZDK-UHFFFAOYSA-N	-1	2	570.561	4.897	40	5		KJBBLM
Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(F)cc2)c1=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000003889380	552421920	/nfs/dbraw/zinc/42/19/20/552421920.db2.gz	XZOIJUHMBUKQTL-UKILVPOCSA-N	-1	2	533.491	4.949	40	5		KJBBLM
Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(F)cc2)c1=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000101622842	554810268	/nfs/dbraw/zinc/81/02/68/554810268.db2.gz	XZOIJUHMBUKQTL-ZCYQVOJMSA-N	-1	2	533.491	4.949	40	5		KJBBLM
Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(F)cc2)c1=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000101622846	554810340	/nfs/dbraw/zinc/81/03/40/554810340.db2.gz	XZOIJUHMBUKQTL-NOZRDPDXSA-N	-1	2	533.491	4.949	40	5		KJBBLM
Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(F)cc2)c1=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000101622849	554810289	/nfs/dbraw/zinc/81/02/89/554810289.db2.gz	XZOIJUHMBUKQTL-ILBGXUMGSA-N	-1	2	533.491	4.949	40	5		KJBBLM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc(Br)cc([N+](=O)[O-])c2O)C(=O)[O-])n[nH]1	ZINC000408631537	572287712	/nfs/dbraw/zinc/28/77/12/572287712.db2.gz	KCYACDKHZUEALE-RZNTYIFUSA-N	-1	2	527.740	4.728	40	5		KJBBLM
CCn1c(S/C(=C\c2cc(Br)cc([N+](=O)[O-])c2O)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1	ZINC000408632820	572289247	/nfs/dbraw/zinc/28/92/47/572289247.db2.gz	KQWPSNMMLMLZCI-IUXPMGMMSA-N	-1	2	551.375	4.576	40	5		KJBBLM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(Br)cc([N+](=O)[O-])c2O)C(=O)[O-])o1	ZINC000408633176	572289864	/nfs/dbraw/zinc/28/98/64/572289864.db2.gz	MABIDPCTFWNJNL-RZNTYIFUSA-N	-1	2	528.724	4.993	40	5		KJBBLM