pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.02	Datawarrior	1	0	COc1ccc([C@@H](O)C[NH3+])cc1	COc1ccc([C@@H](O)CN)cc1	mol12663	COc1ccc(C(O)CN)cc1
9.0200005	OCHEM	1	0	COc1ccc([C@@H](O)C[NH3+])cc1	COc1ccc([C@@H](O)CN)cc1	mol12663	COc1ccc(C(O)CN)cc1
9.02000045776367	QSARToolbox	1	0	COc1ccc([C@@H](O)C[NH3+])cc1	COc1ccc([C@@H](O)CN)cc1	mol12663	COc1ccc(C(O)CN)cc1