[
  {
    "molid": "mol32242",
    "smiles": "CCCCCCCCCCCCCCCCSCC(O)C1OC(O)=C(OC)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCCCCCCCCCCCCSC[C@@H](O)[C@@H]1OC(O)=C(OC)C1=O",
        "std_free_energy": -2.330160140991211,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCCCCCCCCCCCCCCSC[C@@H](O)[C@@H]1OC([O-])=C(OC)C1=O",
        "std_free_energy": -7.434603214263916,
        "relative_population": 0.9777649001154203
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.32,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]