[
  {
    "molid": "mol31184",
    "smiles": "CO/C(O)=C(/O)c1ccccc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CO/C(O)=C(/[O-])c1ccccc1",
        "std_free_energy": -3.0920701026916504,
        "relative_population": 0.1274140811034393
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CO/C([O-])=C(/O)c1ccccc1",
        "std_free_energy": -5.016088962554932,
        "relative_population": 0.8725859188965608
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CO/C([O-])=C(/[O-])c1ccccc1",
        "std_free_energy": 7.846897125244141,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.55,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]