pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.21	AttenGpKa training set	1	0	CC[N+](O)(CC)c1cccc(Cl)c1	CC[N+]([O-])(CC)c1cccc(Cl)c1	mol24826	CC[N+](O)(CC)c1cccc(Cl)c1