pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.4000001	OCHEM	2	1	NC1=[NH+][C@@H](C(=O)O)[C@H]([C@H](O)C[NH3+])N1	NC1=[NH+][C@@H](C(=O)[O-])[C@H]([C@H](O)C[NH3+])N1	mol32408	NCC(O)C1NC(N)=NC1C(=O)O
11.9	OCHEM	-1	-2	NC[C@@H](O)[C@@H]1NC(N)=N[C@H]1C(=O)[O-]	NC[C@@H](O)[C@@H]1[N-]C(N)=N[C@H]1C(=O)[O-],[NH-]C1=N[C@@H](C(=O)[O-])[C@H]([C@H](O)CN)N1,NC[C@@H]([O-])[C@@H]1[N-]C(N)=N[C@H]1C(=O)O,NC[C@@H]([O-])[C@@H]1NC(N)=N[C@H]1C(=O)[O-]	mol32408	NCC(O)C1NC(N)=NC1C(=O)O