[
  {
    "molid": "mol36143",
    "smiles": "O=C(O)CN(CCCCOCCCCN(CC(=O)O)CC(=O)O)CC(=O)O",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([O-])C[NH+](CCCCOCCCC[NH+](CC(=O)[O-])CC(=O)O)CC(=O)[O-]",
        "std_free_energy": -7.590767860412598,
        "relative_population": 0.8477283924116192
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=C([O-])C[NH+](CCCCOCCCCN(CC(=O)O)CC(=O)O)CC(=O)[O-]",
        "std_free_energy": -5.324306488037109,
        "relative_population": 0.08789113269565065
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C([O-])C[NH+](CCCCOCCCC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]",
        "std_free_energy": -16.481826782226562,
        "relative_population": 0.9982590320581274
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.09999990463257,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]