pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.27	AttenGpKa training set	1	0	Nc1cn[nH+]n1-c1ccccc1,Nc1c[nH+]nn1-c1ccccc1,[NH3+]c1cnnn1-c1ccccc1	Nc1cnnn1-c1ccccc1	mol25397	Nc1cnnn1-c1ccccc1