[
  {
    "molid": "mol32120",
    "smiles": "CC(C)(C)c1cc(-c2n[nH]c(=S)s2)cc(C(C)(C)C)c1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(C)(C)c1cc(-c2n[nH]c(=S)s2)cc(C(C)(C)C)c1O",
        "std_free_energy": -6.131077766418457,
        "relative_population": 0.999999834681703
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc(-c2n[n-]c(=S)s2)cc(C(C)(C)C)c1O",
        "std_free_energy": -1.3577150106430054,
        "relative_population": 0.6982273827510131
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc(-c2n[nH]c(=S)s2)cc(C(C)(C)C)c1[O-]",
        "std_free_energy": -0.5188440084457397,
        "relative_population": 0.30177261724898685
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]