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-])c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1	ZINC000002864348	552204896	/nfs/dbraw/zinc/20/48/96/552204896.db2.gz	SMYPNJSIFGKCIL-UHFFFAOYSA-N	-2	3	512.363	3.959	50	5		KHBAHL
Cc1cc(C)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1	ZINC000002952620	1066206234	/nfs/dbraw/zinc/20/62/34/1066206234.db2.gz	BETQHPRDVSIQKH-UHFFFAOYSA-N	-2	3	506.518	3.721	50	5		KHBAHL
COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c([N-]C(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc(C(=O)OC)c1	ZINC000004244476	552452595	/nfs/dbraw/zinc/45/25/95/552452595.db2.gz	FWIWBQRDKCBXRW-UHFFFAOYSA-N	-2	3	592.926	3.783	50	5		KHBAHL
CCC(c1c(N)nc(SCc2ccc([N+](=O)[O-])cc2)[n-]c1=O)c1c(N)nc(SCc2ccc([N+](=O)[O-])cc2)[n-]c1=O	ZINC000008636834	553105516	/nfs/dbraw/zinc/10/55/16/553105516.db2.gz	WDIDSMWWZPEICS-UHFFFAOYSA-N	-2	3	596.651	3.961	50	5		KHBAHL
O=c1[n-]c(=S)[nH]c([O-])c1C(c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1c([O-])[nH]c(=S)[n-]c1=O	ZINC000033353257	553924183	/nfs/dbraw/zinc/92/41/83/553924183.db2.gz	KGCRYXAIZMSUIP-UHFFFAOYSA-N	-4	3	527.540	3.669	50	5		KHBAHL
COc1ccc([N-]S(=O)(=O)c2ccc([O-])c(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2)cc1	ZINC000034914375	554029817	/nfs/dbraw/zinc/02/98/17/554029817.db2.gz	ISDSYPNFGWNVRT-UHFFFAOYSA-N	-2	3	512.544	3.962	50	5		KHBAHL
O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1[O-])Nc1cccc(Br)c1	ZINC000102930987	555158210	/nfs/dbraw/zinc/15/82/10/555158210.db2.gz	GLGXMMRLINEKMT-UHFFFAOYSA-N	-2	3	550.343	3.659	50	5		KHBAHL
O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1[O-])NCc1ccc(Cl)cc1	ZINC000102934109	555161368	/nfs/dbraw/zinc/16/13/68/555161368.db2.gz	VOPVRIYKFMBZGW-UHFFFAOYSA-N	-2	3	554.364	3.881	50	5		KHBAHL