pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.92000007629395	QSARToolbox	0	-1	COc1ccc2c(c1)O[C@@H](O)C(=O)N2O	COc1ccc2c(c1)O[C@@H](O)C(=O)N2[O-]	mol31442	COc1ccc2c(c1)OC(O)C(=O)N2O
6.4	AttenGpKa training set	0	-1	COc1ccc2c(c1)O[C@@H](O)C(=O)N2O	COc1ccc2c(c1)O[C@@H](O)C(=O)N2[O-]	mol31442	COc1ccc2c(c1)OC(O)C(=O)N2O
10.1000003814697	QSARToolbox	-1	-2	COc1ccc2c(c1)O[C@@H](O)C(=O)N2[O-]	COc1ccc2c(c1)O[C@@H]([O-])C(=O)N2[O-],COc1ccc2c(c1)O[C-]([O-])C(=O)N2O,COc1ccc2c(c1)O[C-](O)C(=O)N2[O-]	mol31442	COc1ccc2c(c1)OC(O)C(=O)N2O