[
  {
    "molid": "mol32122",
    "smiles": "CC(C)(C)c1cc(-c2nnc(S)o2)cc(C(C)(C)C)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(C)c1cc(-c2nnc(S)o2)cc(C(C)(C)C)c1O",
        "std_free_energy": -5.249194145202637,
        "relative_population": 0.9999811672251268
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc(-c2nnc([S-])o2)cc(C(C)(C)C)c1O",
        "std_free_energy": -4.743607044219971,
        "relative_population": 0.9532798729625986
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]