[
  {
    "molid": "mol36113",
    "smiles": "O=C(O)CCN(CCCCCCN(CCC(=O)O)[N+](=O)[O-])[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "O=C([O-])CC[NH+](CCCCCC[NH+](CCC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -13.16819953918457,
        "relative_population": 0.9966025913435247
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CCN(CCCCCC[NH+](CCC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -11.589337348937988,
        "relative_population": 0.961609080565107
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.71999979019165,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]