pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.02	AttenGpKa training set	1	0	C[N+](C)(O)c1ccc(Cl)cc1	C[N+](C)([O-])c1ccc(Cl)cc1	mol24783	C[N+](C)(O)c1ccc(Cl)cc1