pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.1	AttenGpKa training set	1	0	Cn1c(=[OH+])oc2ccccc21	Cn1c(=O)oc2ccccc21	mol30253	CN1C(=O)Oc2ccccc21