pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.89	AttenGpKa training set	1	0	C[n+]1cccc(NC(=O)c2ccccc2)c1	C[n+]1cccc([N-]C(=O)c2ccccc2)c1	mol25116	C[n+]1cccc(NC(=O)c2ccccc2)c1