smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cc(O)ccc1NC(=O)c1ccccc1C(=O)[O-]	ZINC000058826063	184129122	/nfs/dbraw/zinc/12/91/22/184129122.db2.gz	CDRGJNSYTKWNQH-UHFFFAOYSA-N	-2	0	301.254	2.041	10	10		DECERL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC000133752646	684222393	/nfs/dbraw/zinc/22/23/93/684222393.db2.gz	LFKQXUINRQSIHY-UHFFFAOYSA-N	-2	0	300.317	2.163	10	10		DECERL
O=C([O-])c1coc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1	ZINC000694148005	976667731	/nfs/dbraw/zinc/66/77/31/976667731.db2.gz	JDXIPKOLOSVYQW-UHFFFAOYSA-N	-2	0	317.706	2.138	10	10		DECERL
Cc1cc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)c(C)o1	ZINC000133731637	684222540	/nfs/dbraw/zinc/22/25/40/684222540.db2.gz	KXERXPUHSRFILG-UHFFFAOYSA-N	-2	0	312.303	2.311	10	10		DECERL
Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])s1	ZINC000048847226	683918719	/nfs/dbraw/zinc/91/87/19/683918719.db2.gz	GVNWBDHDZOUXTO-UHFFFAOYSA-N	-2	0	313.356	2.261	10	10		DECERL
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccccc2F)ccc1[O-]	ZINC000133751397	684222386	/nfs/dbraw/zinc/22/23/86/684222386.db2.gz	QDXICNLDFGUTTF-UHFFFAOYSA-N	-2	0	312.278	2.240	10	10		DECERL