pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
16.91	AttenGpKa training set	-1	-2	OCCc1c[n-]c2ccccc12,[O-]CCc1c[nH]c2ccccc12	[O-]CCc1c[n-]c2ccccc12	mol26411	OCCc1c[nH]c2ccccc12