pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.48	AttenGpKa training set	1	0	COc1ccc2nccc([C@H](O)[C@H]3C4CC[NH+]3CC4)c2c1	COc1ccc2nccc([C@H](O)[C@H]3C4CCN3CC4)c2c1	mol29755	COc1ccc2nccc([C@H](O)C3C4CCN3CC4)c2c1