pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.58	Datawarrior	0	-1	C=C(C)[C@@H]1C[NH2+][C@H](C(=O)[O-])[C@@H]1CC(=O)O	C=C(C)[C@@H]1C[NH2+][C@H](C(=O)[O-])[C@@H]1CC(=O)[O-]	mol14312	C=C(C)[C@@H]1CN[C@H](C(=O)O)[C@@H]1CC(=O)O
2.09	Datawarrior	1	0	C=C(C)[C@@H]1C[NH2+][C@H](C(=O)O)[C@@H]1CC(=O)O	C=C(C)[C@@H]1C[NH2+][C@H](C(=O)[O-])[C@@H]1CC(=O)O	mol14312	C=C(C)[C@@H]1CN[C@H](C(=O)O)[C@@H]1CC(=O)O
10.21	Datawarrior	-1	-2	C=C(C)[C@@H]1C[NH2+][C@H](C(=O)[O-])[C@@H]1CC(=O)[O-]	C=C(C)[C@@H]1CN[C@H](C(=O)[O-])[C@@H]1CC(=O)[O-]	mol14312	C=C(C)[C@@H]1CN[C@H](C(=O)O)[C@@H]1CC(=O)O