[
  {
    "molid": "mol34355",
    "smiles": "O=C(O)C(NCCNC(C(=O)O)C(=O)O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])C([NH2+]CC[NH2+]C(C(=O)[O-])C(=O)O)C(=O)O",
        "std_free_energy": -1.8146562576293945,
        "relative_population": 0.11643810794661917
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])C([NH2+]CC[NH2+]C(C(=O)O)C(=O)O)C(=O)[O-]",
        "std_free_energy": -2.394845485687256,
        "relative_population": 0.2080022917424235
      },
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "O=C(O)C(NCC[NH2+]C(C(=O)[O-])C(=O)O)C(=O)O",
        "std_free_energy": -3.42501163482666,
        "relative_population": 0.5827249241406967
      },
      {
        "id": "0_5",
        "charge": 0,
        "smiles": "O=C([O-])C(NCC[NH2+]C(C(=O)O)C(=O)O)C(=O)O",
        "std_free_energy": -1.5036816596984863,
        "relative_population": 0.08531798459827247
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C([O-])C([NH2+]CC[NH2+]C(C(=O)O)C(=O)O)C(=O)O",
        "std_free_energy": 2.2497215270996094,
        "relative_population": 0.9815782916327247
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.21000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]