[
  {
    "molid": "mol37118",
    "smiles": "O=C(CCC(=O)OO)NCCNC(=O)CCC(=O)OO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(CCC(=O)OO)NCCNC(=O)CCC(=O)OO",
        "std_free_energy": -3.3971052169799805,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(CCC(=O)O[O-])NCCNC(=O)CCC(=O)OO",
        "std_free_energy": -2.0331149101257324,
        "relative_population": 0.9544438386339517
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.06999969482422,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]