pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	AttenGpKa training set	1	0	O=C1C=CC(=[OH+])N1	O=C1C=CC(=O)N1	mol27145	O=C1C=CC(=O)N1