smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccnc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)n1	ZINC000013948204	556976269	/nfs/dbraw/zinc/97/62/69/556976269.db2.gz	BYMKDDCQNSVLES-UHFFFAOYSA-N	-2	0	449.470	2.295	40	5		IEBBRL
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Br)c([O-])c(Br)c2O)[nH]1	ZINC000108989760	569253386	/nfs/dbraw/zinc/25/33/86/569253386.db2.gz	BQDOGQKGQSEBRN-OWOJBTEDSA-N	-2	0	449.011	2.078	40	5		IEBBRL
Cc1ccnc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1	ZINC000013948203	556975832	/nfs/dbraw/zinc/97/58/32/556975832.db2.gz	ZLWYWSQUKTYSOX-UHFFFAOYSA-N	-2	0	449.470	2.295	40	5		IEBBRL
O=[N+]([O-])c1ccc(/C=C\c2ccc([N+](=O)[O-])cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1	ZINC000004701186	556887201	/nfs/dbraw/zinc/88/72/01/556887201.db2.gz	UETHPMGVZHBAFB-UPHRSURJSA-N	-2	0	430.372	2.167	40	5	in-vitro	IEBBRL