pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.55	AttenGpKa training set	1	0	CCOc1c(C)c(C)[nH+]n1-c1ccccc1	CCOc1c(C)c(C)nn1-c1ccccc1	mol6894	CCOc1c(C)c(C)nn1-c1ccccc1