[
  {
    "molid": "mol10424",
    "smiles": "COC(=O)c1ccc(O)c(O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)c1ccc(O)c(O)c1",
        "std_free_energy": -5.710546493530273,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COC(=O)c1ccc(O)c([O-])c1",
        "std_free_energy": -1.4031305313110352,
        "relative_population": 0.31234491138883214
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COC(=O)c1ccc([O-])c(O)c1",
        "std_free_energy": -2.192309856414795,
        "relative_population": 0.6876550886111679
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COC(=O)c1ccc([O-])c([O-])c1",
        "std_free_energy": 9.379854202270508,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.18,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 13.04,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]