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-])c1cc(S(=O)(=O)[N-]c2ccccc2-c2n[nH]c(C3CC3)n2)ccc1[O-]	ZINC000026541356	569032992	/nfs/dbraw/zinc/03/29/92/569032992.db2.gz	OVGBNPQUXWNXIT-UHFFFAOYSA-N	-2	1	401.404	2.764	50	5		HFBAML
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2ccc(C(=O)[O-])n2)cc1	ZINC000048373959	568442355	/nfs/dbraw/zinc/44/23/55/568442355.db2.gz	XXNVEPDXATUOQG-UHFFFAOYSA-N	-2	1	402.388	2.588	50	5		HFBAML
O=[N+]([O-])c1cnc([N-]c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c([N+](=O)[O-])c1	ZINC000004417477	558528201	/nfs/dbraw/zinc/52/82/01/558528201.db2.gz	UHYDXORAWJMCEX-UHFFFAOYSA-N	-2	1	422.404	2.899	50	5		HFBAML
CCOc1c(Br)cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1OC	ZINC000018161619	569385109	/nfs/dbraw/zinc/38/51/09/569385109.db2.gz	BRINKUJMMMLXAS-SNAWJCMRSA-N	-2	1	412.196	2.724	50	5		HFBAML
O=C(Nc1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1)c1ccco1	ZINC000012521010	568841526	/nfs/dbraw/zinc/84/15/26/568841526.db2.gz	BPJAZXQPLJECHB-UHFFFAOYSA-N	-2	1	403.372	2.947	50	5		HFBAML