pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.9	Datawarrior	1	0	O=C(O)C[C@H]1[NH2+]Nc2ccccc21,O=C([O-])C[C@H]1[NH2+][NH2+]c2ccccc21,O=C(O)C[C@H]1N[NH2+]c2ccccc21	O=C([O-])C[C@H]1[NH2+]Nc2ccccc21	mol13765	O=C(O)CC1NNc2ccccc21
2.9000001	OCHEM	1	0	O=C(O)C[C@H]1[NH2+]Nc2ccccc21,O=C([O-])C[C@H]1[NH2+][NH2+]c2ccccc21,O=C(O)C[C@H]1N[NH2+]c2ccccc21	O=C([O-])C[C@H]1[NH2+]Nc2ccccc21	mol13765	O=C(O)CC1NNc2ccccc21