pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.6	AttenGpKa training set	1	0	CNC(NC)=[NH+]Cc1ccccc1	CNC(=NCc1ccccc1)NC	mol28041	CNC(=NCc1ccccc1)NC