[
  {
    "molid": "mol12185",
    "smiles": "C[n+]1ccccc1C=Cc1ccc2cccc(O)c2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[n+]1ccccc1C=Cc1ccc2cccc([O-])c2n1",
        "std_free_energy": -2.74155855178833,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[n+]1ccccc1C=Cc1ccc2cccc(O)c2n1",
        "std_free_energy": -6.407540798187256,
        "relative_population": 0.9997950285245291
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[n+]1ccccc1C=Cc1ccc2cccc(O)c2[nH+]1",
        "std_free_energy": 2.1175742149353027,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.7,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]