pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.31	AttenGpKa training set	1	0	COc1ccc2c(c1)[nH+]c(C)n2C	COc1ccc2c(c1)nc(C)n2C	mol26454	COc1ccc2c(c1)nc(C)n2C