[
  {
    "molid": "mol23305",
    "smiles": "O=C(O)CCc1cccc(O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)CCc1cccc(O)c1",
        "std_free_energy": -4.609134197235107,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CCc1cccc(O)c1",
        "std_free_energy": -8.705862998962402,
        "relative_population": 0.9997710408177283
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])CCc1cccc([O-])c1",
        "std_free_energy": -0.4109288156032562,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.51,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 10.02,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]