pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.27	AttenGpKa training set	1	0	Cc1[nH][nH+]c(C)c1C(C)(C)C	Cc1n[nH]c(C)c1C(C)(C)C	mol25368	Cc1n[nH]c(C)c1C(C)(C)C