pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.41	Datawarrior	0	-1	COC(=O)C[C@H]1[C@H]([C@@H](C)O)C[NH2+][C@@H]1C(=O)[O-]	COC(=O)C[C@H]1[C@H]([C@@H](C)O)CN[C@@H]1C(=O)[O-]	mol14469	COC(=O)C[C@@H]1[C@@H](C(=O)O)NC[C@H]1C(C)O
2.4	Datawarrior	1	0	COC(=O)C[C@H]1[C@H]([C@@H](C)O)C[NH2+][C@@H]1C(=O)O	COC(=O)C[C@H]1[C@H]([C@@H](C)O)C[NH2+][C@@H]1C(=O)[O-]	mol14469	COC(=O)C[C@@H]1[C@@H](C(=O)O)NC[C@H]1C(C)O