[
  {
    "molid": "mol32119",
    "smiles": "CC(C)(C)c1cc(/C=C/c2nnc(O)o2)cc(C(C)(C)C)c1O",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "CC(C)(C)c1cc(/C=C/c2nnc(O)o2)cc(C(C)(C)C)c1O",
        "std_free_energy": -4.836488246917725,
        "relative_population": 0.9999886766774626
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc(/C=C/c2nnc([O-])o2)cc(C(C)(C)C)c1O",
        "std_free_energy": -8.486282348632812,
        "relative_population": 0.9998229192413194
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]