[
  {
    "molid": "mol32121",
    "smiles": "CC(C)(C)c1cc(-c2n[nH]c(N)n2)cc(C(C)(C)C)c1O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc(-c2n[nH]c(N)n2)cc(C(C)(C)C)c1[O-]",
        "std_free_energy": 1.0497764348983765,
        "relative_population": 0.8548890439102352
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(C)(C)c1cc(-c2n[n-]c(N)n2)cc(C(C)(C)C)c1O",
        "std_free_energy": 2.857210159301758,
        "relative_population": 0.14026562731588202
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(C)(C)c1cc(-c2n[nH]c([NH-])n2)cc(C(C)(C)C)c1[O-]",
        "std_free_energy": 12.603347778320312,
        "relative_population": 0.5267722606085644
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CC(C)(C)c1cc(-c2n[n-]c(N)n2)cc(C(C)(C)C)c1[O-]",
        "std_free_energy": 13.259320259094238,
        "relative_population": 0.2733617012617807
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "CC(C)(C)c1cc(-c2n[n-]c([NH-])n2)cc(C(C)(C)C)c1O",
        "std_free_energy": 13.572468757629395,
        "relative_population": 0.1998660381296547
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.0,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]