pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.25	AttenGpKa training set	1	0	C[C@H](/[NH+]=C/c1ccncc1O)C(=O)O,C[C@H](/N=C/c1cc[nH+]cc1O)C(=O)O,C[C@H](/[NH+]=C/c1cc[nH+]cc1O)C(=O)[O-]	C[C@H](/[NH+]=C/c1ccncc1O)C(=O)[O-],C[C@H](/N=C/c1cc[nH+]cc1O)C(=O)[O-]	mol29349	CC(/N=C/c1ccncc1O)C(=O)O