pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.9	Baltruschat ChEMBL	1	0	Cn1nnc(-c2onc(O)c2C[C@H]([NH3+])C(=O)O)n1	Cn1nnc(-c2onc(O)c2C[C@H]([NH3+])C(=O)[O-])n1	mol16238	Cn1nnc(-c2onc(O)c2CC(N)C(=O)O)n1