pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.2	AttenGpKa training set	1	0	Cc1cccc(C)c1[NH2+]O	Cc1cccc(C)c1NO	mol24738	Cc1cccc(C)c1NO