pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.42	AttenGpKa training set	1	0	COC(=O)Cn1c[nH+]c(C)c1C	COC(=O)Cn1cnc(C)c1C	mol25412	COC(=O)Cn1cnc(C)c1C