[
  {
    "molid": "mol12987",
    "smiles": "CC(C)(C)c1cc(O)[nH]n1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(C)(C)c1cc(O)[nH]n1",
        "std_free_energy": -6.498325347900391,
        "relative_population": 0.9999974532405984
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C)(C)c1cc(O)[nH][nH+]1",
        "std_free_energy": 2.9672751426696777,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.9000001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]