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(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cs1	ZINC000753523382	579064820	/nfs/dbraw/zinc/06/48/20/579064820.db2.gz	XWYKHUQWHMRQNN-UHFFFAOYSA-N	-2	2	344.326	1.861	20	5		EDBDLL
O=C(N=c1nc(-c2ccccc2)[nH]s1)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000361913553	446061953	/nfs/dbraw/zinc/06/19/53/446061953.db2.gz	XAWHBFVRKVRUBV-UHFFFAOYSA-N	-2	2	343.324	1.888	20	5		EDBDLL
O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1	ZINC000356025357	445576358	/nfs/dbraw/zinc/57/63/58/445576358.db2.gz	PMJCDPJQFNHPJH-UHFFFAOYSA-N	-2	2	342.271	1.438	20	5		EDBDLL
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2)c1-c1nn[nH]n1	ZINC000823647513	594224520	/nfs/dbraw/zinc/22/45/20/594224520.db2.gz	LDWAFUPDWCXARJ-UHFFFAOYSA-N	-2	2	346.328	1.576	20	5		EDBDLL
O=C([O-])c1nscc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000833346863	594831480	/nfs/dbraw/zinc/83/14/80/594831480.db2.gz	QGUXPTTWLXWCFJ-UHFFFAOYSA-N	-2	2	345.314	1.256	20	5		EDBDLL
O=C([O-])c1csc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000833343956	594830631	/nfs/dbraw/zinc/83/06/31/594830631.db2.gz	UMSPUXGBDWVEJA-UHFFFAOYSA-N	-2	2	344.326	1.861	20	5		EDBDLL
Cn1ccnc1-c1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[nH]n1	ZINC000356808277	446039848	/nfs/dbraw/zinc/03/98/48/446039848.db2.gz	YDQFUPZZSBBJLI-UHFFFAOYSA-N	-2	2	328.288	1.676	20	5		EDBDLL