[
  {
    "molid": "mol35077",
    "smiles": "NC(COCC(=O)O)(COCC(=O)O)COCC(=O)O",
    "microspecies": [
      {
        "id": "-3_4",
        "charge": -3,
        "smiles": "NC(COCC(=O)[O-])(COCC(=O)[O-])COCC(=O)[O-]",
        "std_free_energy": -9.341485023498535,
        "relative_population": 0.9999996350794622
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[NH3+]C(COCC(=O)[O-])(COCC(=O)[O-])COCC(=O)[O-]",
        "std_free_energy": -14.312678337097168,
        "relative_population": 0.9973431760319504
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.48999977111816,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]