pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.2	AttenGpKa training set	1	0	c1ccc([NH+]2CCOCC2)cc1	c1ccc(N2CCOCC2)cc1	mol23767	c1ccc(N2CCOCC2)cc1
