[
  {
    "molid": "mol33744",
    "smiles": "O=C(O)c1cc(O)nc(O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1cc(O)nc(O)c1",
        "std_free_energy": -4.123987674713135,
        "relative_population": 0.9999941958827516
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1cc(O)nc(O)c1",
        "std_free_energy": -10.558053970336914,
        "relative_population": 0.9952214090140177
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.77999997138977,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]