pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.19	AttenGpKa training set	0	-1	C[C@@H]1NC=Nc2ccccc21	C[C@@H]1[N-]C=Nc2ccccc21	mol4623	CC1NC=Nc2ccccc21
9.15	IUPAC digitized pKa	1	0	C[C@@H]1NC=[NH+]c2ccccc21	C[C@@H]1NC=Nc2ccccc21	mol4623	CC1NC=Nc2ccccc21