pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.49	AttenGpKa training set	1	0	Nc1c[nH+]n(-c2ccc(Cl)cc2)c1,[NH3+]c1cnn(-c2ccc(Cl)cc2)c1	Nc1cnn(-c2ccc(Cl)cc2)c1	mol25487	Nc1cnn(-c2ccc(Cl)cc2)c1