[
  {
    "molid": "mol10242",
    "smiles": "O=C(O)CCC(CCC(=O)O)[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)CCC(CCC(=O)O)[N+](=O)[O-]",
        "std_free_energy": -1.8412895202636719,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CCC(CCC(=O)O)[N+](=O)[O-]",
        "std_free_energy": -8.017349243164062,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])CCC(CCC(=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -11.784089088439941,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.24,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.0,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]