pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.55	AttenGpKa training set	1	0	Nc1ncc2cn[nH]c2[nH+]1,Nc1ncc2c[nH+][nH]c2n1,[NH3+]c1ncc2cn[nH]c2n1,Nc1nc2[nH]ncc2c[nH+]1	Nc1ncc2cn[nH]c2n1	mol26363	Nc1ncc2cn[nH]c2n1