[
  {
    "molid": "mol32133",
    "smiles": "CSc1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CSc1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1",
        "std_free_energy": -6.638473033905029,
        "relative_population": 0.9999999898101855
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CSc1nnc(-c2cc(C(C)(C)C)c([O-])c(C(C)(C)C)c2)s1",
        "std_free_energy": 0.06350493431091309,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]