pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.6	AttenGpKa training set	1	0	CC(C)[C@H](/[NH+]=C/c1cc[nH+]cc1O)C(=O)[O-],CC(C)[C@H](/N=C/c1cc[nH+]cc1O)C(=O)O,CC(C)[C@H](/[NH+]=C/c1ccncc1O)C(=O)O	CC(C)[C@H](/[NH+]=C/c1ccncc1O)C(=O)[O-],CC(C)[C@H](/N=C/c1cc[nH+]cc1O)C(=O)[O-]	mol29609	CC(C)C(/N=C/c1ccncc1O)C(=O)O