pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.6	Baltruschat ChEMBL	1	0	[NH3+][C@H](C[C@@H]1OC(=O)NC1=O)C(=O)O	[NH3+][C@H](C[C@@H]1OC(=O)NC1=O)C(=O)[O-]	mol18979	N[C@H](CC1OC(=O)NC1=O)C(=O)O
1.8	Baltruschat ChEMBL	1	0	[NH3+][C@H](C[C@@H]1OC(=O)NC1=O)C(=O)O	[NH3+][C@H](C[C@@H]1OC(=O)NC1=O)C(=O)[O-]	mol18979	N[C@H](CC1OC(=O)NC1=O)C(=O)O
9.0	Baltruschat ChEMBL	-1	-2	N[C@H](C[C@@H]1OC(=O)NC1=O)C(=O)[O-]	N[C@H](C[c-]1oc(=O)[nH]c1=O)C(=O)[O-],N[C@H](C[C@@H]1OC(=O)[N-]C1=O)C(=O)[O-]	mol18979	N[C@H](CC1OC(=O)NC1=O)C(=O)O