pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.7	Baltruschat ChEMBL	0	-1	CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(=O)[O-]	CC(=O)N[C@@H]1CCNC[C@@H]1C(=O)[O-]	mol19438	CC(=O)N[C@@H]1CCNC[C@@H]1C(=O)O
3.2	Baltruschat ChEMBL	1	0	CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(=O)O	CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(=O)[O-]	mol19438	CC(=O)N[C@@H]1CCNC[C@@H]1C(=O)O
3.15000009536743	QSARToolbox	1	0	CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(=O)O	CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(=O)[O-]	mol19438	CC(=O)N[C@@H]1CCNC[C@@H]1C(=O)O