[
  {
    "molid": "mol36155",
    "smiles": "O=C(O)CN(CCN(CCCl)CCCl)CC(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])C[NH+](CC[NH+](CCCl)CCCl)CC(=O)[O-]",
        "std_free_energy": -9.882328987121582,
        "relative_population": 0.8534633545579464
      },
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "O=C([O-])C[NH+](CCN(CCCl)CCCl)CC(=O)O",
        "std_free_energy": -7.74960994720459,
        "relative_population": 0.10114787610397512
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])C[NH+](CCN(CCCl)CCCl)CC(=O)[O-]",
        "std_free_energy": -14.058905601501465,
        "relative_population": 0.8633051559837099
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      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([O-])CN(CC[NH+](CCCl)CCCl)CC(=O)[O-]",
        "std_free_energy": -12.195802688598633,
        "relative_population": 0.13397662102054372
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.74000000953674,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]