pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.935	AttenGpKa training set	1	0	COc1ccc2nccc([C@H](O)[C@H]3C[C@H]4CC[NH+]3C4)c2c1	COc1ccc2nccc([C@H](O)[C@H]3C[C@H]4CCN3C4)c2c1	mol29754	COc1ccc2nccc([C@H](O)C3CC4CCN3C4)c2c1