pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.62	AttenGpKa training set	0	-1	CN1c2ccccc2N=C[C@H]1O	CN1c2ccccc2N=C[C@H]1[O-],CN1c2ccccc2N=C[C-]1O	mol31174	CN1c2ccccc2N=CC1O