pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.61	AttenGpKa training set	1	0	Cc1cccc(-n2cc([NH3+])cn2)c1,Cc1cccc(-n2cc(N)c[nH+]2)c1	Cc1cccc(-n2cc(N)cn2)c1	mol25435	Cc1cccc(-n2cc(N)cn2)c1