pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0	Datawarrior	0	-1	CC1(C)OC(=O)C[C@H]2[C@@H](C(=O)[O-])[NH2+]C[C@H]21	CC1(C)OC(=O)C[C@H]2[C@@H](C(=O)[O-])NC[C@H]21	mol15754	CC1(C)OC(=O)C[C@H]2[C@@H](C(=O)O)NC[C@H]21
2.27	Datawarrior	1	0	CC1(C)OC(=O)C[C@H]2[C@@H](C(=O)O)[NH2+]C[C@H]21	CC1(C)OC(=O)C[C@H]2[C@@H](C(=O)[O-])[NH2+]C[C@H]21	mol15754	CC1(C)OC(=O)C[C@H]2[C@@H](C(=O)O)NC[C@H]21