[
  {
    "molid": "mol10906",
    "smiles": "O=C(O)C12CCC(C(=O)O)(CC1)C2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)[C@]12CC[C@](C(=O)O)(CC1)C2",
        "std_free_energy": -2.611196517944336,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])[C@]12CC[C@](C(=O)O)(CC1)C2",
        "std_free_energy": -8.273029327392578,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])[C@]12CC[C@](C(=O)[O-])(CC1)C2",
        "std_free_energy": -10.10063362121582,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.284,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.197,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]