pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.56	AttenGpKa training set	1	0	COc1cccc(-n2cc([NH3+])cn2)c1,COc1cccc(-n2cc(N)c[nH+]2)c1	COc1cccc(-n2cc(N)cn2)c1	mol25472	COc1cccc(-n2cc(N)cn2)c1