[
  {
    "molid": "mol12387",
    "smiles": "C[n+]1cc(O)ccn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[n+]1cc([O-])ccn1",
        "std_free_energy": -5.695058822631836,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1cc([O-])cc[nH+]1",
        "std_free_energy": 6.715834617614746,
        "relative_population": 0.22777012786671225
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[n+]1cc(O)ccn1",
        "std_free_energy": 5.494889259338379,
        "relative_population": 0.7722298721332878
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.74,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]