pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.9	Datawarrior	0	-1	NC(=O)Nc1[nH]c[nH+]c1C(=O)[O-],NC(=O)Nc1[nH]cnc1C(=O)O	NC(=O)Nc1[nH]cnc1C(=O)[O-]	mol9379	NC(=O)Nc1[nH]cnc1C(=O)O
4.9000001	OCHEM	0	-1	NC(=O)Nc1[nH]c[nH+]c1C(=O)[O-],NC(=O)Nc1[nH]cnc1C(=O)O	NC(=O)Nc1[nH]cnc1C(=O)[O-]	mol9379	NC(=O)Nc1[nH]cnc1C(=O)O
2.0	Datawarrior	1	0	NC(=O)Nc1[nH]c[nH+]c1C(=O)O	NC(=O)Nc1[nH]c[nH+]c1C(=O)[O-],NC(=O)Nc1[nH]cnc1C(=O)O	mol9379	NC(=O)Nc1[nH]cnc1C(=O)O
12.2	Datawarrior	-1	-2	NC(=O)Nc1[nH]cnc1C(=O)[O-]	NC(=O)Nc1[n-]cnc1C(=O)[O-]	mol9379	NC(=O)Nc1[nH]cnc1C(=O)O