pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.77	AttenGpKa training set	1	0	COc1ccc(C=O)cc1C[NH+]1CCOCC1	COc1ccc(C=O)cc1CN1CCOCC1	mol29634	COc1ccc(C=O)cc1CN1CCOCC1