[
  {
    "molid": "mol12173",
    "smiles": "CC(C)(C)c1cc([N+](C)(C)C)cc(C(C)(C)C)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(C)c1cc([N+](C)(C)C)cc(C(C)(C)C)c1[O-]",
        "std_free_energy": -1.6253337860107422,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C)(C)c1cc([N+](C)(C)C)cc(C(C)(C)C)c1O",
        "std_free_energy": -6.617764472961426,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.84,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]