[
  {
    "molid": "mol11322",
    "smiles": "Nc1cc(O)c2ccccc2c1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Nc1cc(O)c2ccccc2c1",
        "std_free_energy": -6.063541889190674,
        "relative_population": 0.9999964972437004
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1cc(O)c2ccccc2c1",
        "std_free_energy": -0.42448025941848755,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1cc([O-])c2ccccc2c1",
        "std_free_energy": 0.37775278091430664,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.36,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.08,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]