[
  {
    "molid": "mol25704",
    "smiles": "Cc1cc(O)[n+](C)cn1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cc([O-])[n+](C)cn1",
        "std_free_energy": -5.731945991516113,
        "relative_population": 0.9999499942810707
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc([O-])[n+](C)c[nH+]1",
        "std_free_energy": 5.715388298034668,
        "relative_population": 0.15820140279793832
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc(O)[n+](C)cn1",
        "std_free_energy": 4.0437164306640625,
        "relative_population": 0.8417985972020616
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]