[
  {
    "molid": "mol36145",
    "smiles": "O=C(O)CN(CCCN(CC(=O)O)CC(=O)O)CCCN(CC(=O)O)CC(=O)O",
    "microspecies": [
      {
        "id": "-5_1",
        "charge": -5,
        "smiles": "O=C([O-])CN(CCCN(CC(=O)[O-])CC(=O)[O-])CCCN(CC(=O)[O-])CC(=O)[O-]",
        "std_free_energy": -2.7576754093170166,
        "relative_population": 1.0
      },
      {
        "id": "-4_1",
        "charge": -4,
        "smiles": "O=C([O-])CN(CCC[NH+](CCCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]",
        "std_free_energy": -13.77829360961914,
        "relative_population": 0.6121417177454238
      },
      {
        "id": "-4_4",
        "charge": -4,
        "smiles": "O=C([O-])CN(CCCN(CC(=O)[O-])CC(=O)[O-])CCC[NH+](CC(=O)[O-])CC(=O)[O-]",
        "std_free_energy": -13.321747779846191,
        "relative_population": 0.38777217559874017
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.9099998474121,
        "charge_state_pre": -4,
        "charge_state_post": -5,
        "data_source": "QSARToolbox"
      }
    ]
  }
]