pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.9	Datawarrior	0	-1	Cn1cnc(C(=O)O)c1C(=O)O	Cn1cnc(C(=O)O)c1C(=O)[O-],Cn1cnc(C(=O)[O-])c1C(=O)O	mol12583	Cn1cnc(C(=O)O)c1C(=O)O
-0.56	Datawarrior	1	0	Cn1c[nH+]c(C(=O)O)c1C(=O)O	Cn1cnc(C(=O)O)c1C(=O)O	mol12583	Cn1cnc(C(=O)O)c1C(=O)O
-0.88	Datawarrior	1	0	Cn1c[nH+]c(C(=O)O)c1C(=O)O	Cn1cnc(C(=O)O)c1C(=O)O	mol12583	Cn1cnc(C(=O)O)c1C(=O)O
8.0	Datawarrior	-1	-2	Cn1cnc(C(=O)O)c1C(=O)[O-],Cn1cnc(C(=O)[O-])c1C(=O)O	Cn1cnc(C(=O)[O-])c1C(=O)[O-]	mol12583	Cn1cnc(C(=O)O)c1C(=O)O