pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.8	AttenGpKa training set	1	0	C[n+]1cc2[nH]c3ccccc3c2c2ccccc21	C[n+]1cc2[n-]c3ccccc3c2c2ccccc21	mol26676	C[n+]1cc2[nH]c3ccccc3c2c2ccccc21