pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.7	AttenGpKa training set	1	0	COc1ccc2c(c1)cc1c3ccccc3[nH]c1[n+]2C	COc1ccc2c(c1)cc1c3ccccc3[n-]c1[n+]2C	mol26717	COc1ccc2c(c1)cc1c3ccccc3[nH]c1[n+]2C