[
  {
    "molid": "mol32131",
    "smiles": "CC(C)(C)c1cc(-c2n[nH]c(S)n2)cc(C(C)(C)C)c1O",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "CC(C)(C)c1cc(-c2n[nH]c(S)n2)cc(C(C)(C)C)c1O",
        "std_free_energy": -6.0012712478637695,
        "relative_population": 0.9999972552323467
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc(-c2n[n-]c(S)n2)cc(C(C)(C)C)c1O",
        "std_free_energy": -2.088176727294922,
        "relative_population": 0.3873000263016217
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc(-c2n[nH]c([S-])n2)cc(C(C)(C)C)c1O",
        "std_free_energy": -2.3255019187927246,
        "relative_population": 0.49103963420346497
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc(-c2n[nH]c(S)n2)cc(C(C)(C)C)c1[O-]",
        "std_free_energy": -0.9300883412361145,
        "relative_population": 0.1216455232580679
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]