pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.8	IUPAC digitized pKa	0	-1	C[NH+]1[C@H]2CC=C(C(=O)[O-])[C@@H]1CC2	CN1[C@H]2CC=C(C(=O)[O-])[C@@H]1CC2	mol8429	CN1C2CC=C(C(=O)O)C1CC2
10.85	OCHEM	0	-1	C[NH+]1[C@H]2CC=C(C(=O)[O-])[C@@H]1CC2	CN1[C@H]2CC=C(C(=O)[O-])[C@@H]1CC2	mol8429	CN1C2CC=C(C(=O)O)C1CC2
3.8	IUPAC digitized pKa	1	0	C[NH+]1[C@H]2CC=C(C(=O)O)[C@@H]1CC2	C[NH+]1[C@H]2CC=C(C(=O)[O-])[C@@H]1CC2	mol8429	CN1C2CC=C(C(=O)O)C1CC2
3.9300001	OCHEM	1	0	C[NH+]1[C@H]2CC=C(C(=O)O)[C@@H]1CC2	C[NH+]1[C@H]2CC=C(C(=O)[O-])[C@@H]1CC2	mol8429	CN1C2CC=C(C(=O)O)C1CC2