pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.63	Datawarrior	0	-1	O=C(O)c1ccc(-c2nnn[nH]2)cc1	O=C(O)c1ccc(-c2nnn[n-]2)cc1,O=C([O-])c1ccc(-c2nnn[nH]2)cc1	mol13367	O=C(O)c1ccc(-c2nnn[nH]2)cc1
3.6300001	OCHEM	0	-1	O=C(O)c1ccc(-c2nnn[nH]2)cc1	O=C(O)c1ccc(-c2nnn[n-]2)cc1,O=C([O-])c1ccc(-c2nnn[nH]2)cc1	mol13367	O=C(O)c1ccc(-c2nnn[nH]2)cc1
3.63000011444092	QSARToolbox	0	-1	O=C(O)c1ccc(-c2nnn[nH]2)cc1	O=C(O)c1ccc(-c2nnn[n-]2)cc1,O=C([O-])c1ccc(-c2nnn[nH]2)cc1	mol13367	O=C(O)c1ccc(-c2nnn[nH]2)cc1