[
  {
    "molid": "mol36004",
    "smiles": "O=C(O)CC(N=Cc1ccccc1O)C(=O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])C[C@H]([NH+]=Cc1ccccc1O)C(=O)[O-]",
        "std_free_energy": -14.24518871307373,
        "relative_population": 0.9817678327018061
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])C[C@H](N=Cc1ccccc1O)C(=O)[O-]",
        "std_free_energy": -11.108598709106445,
        "relative_population": 0.9870641716728117
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.92000007629395,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]