[
  {
    "molid": "mol32128",
    "smiles": "CC(C)(C)c1cc(/C=C/c2nnc(S)s2)cc(C(C)(C)C)c1O",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "CC(C)(C)c1cc(/C=C/c2nnc(S)s2)cc(C(C)(C)C)c1O",
        "std_free_energy": -5.310591697692871,
        "relative_population": 0.9999981565250685
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc(/C=C/c2nnc([S-])s2)cc(C(C)(C)C)c1O",
        "std_free_energy": -4.124083042144775,
        "relative_population": 0.962675815970914
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]