[
  {
    "molid": "mol37366",
    "smiles": "O/N=C/c1ncccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O/N=C/c1ncccc1O",
        "std_free_energy": -6.574971675872803,
        "relative_population": 0.9813840856546721
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1cccnc1/C=N/O",
        "std_free_energy": -3.1330931186676025,
        "relative_population": 0.9010584481898491
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]/N=C/c1ncccc1O",
        "std_free_energy": -0.9218162298202515,
        "relative_population": 0.09872056042070763
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.10000038146973,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]