[
  {
    "molid": "mol38267",
    "smiles": "O=C(N/N=C/c1ccccc1O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(N/N=C/c1ccccc1O)c1ccccc1",
        "std_free_energy": -6.696590423583984,
        "relative_population": 0.9999943999614476
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([N-]/N=C/c1ccccc1O)c1ccccc1",
        "std_free_energy": -0.4893534779548645,
        "relative_population": 0.3520843624201977
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(N/N=C/c1ccccc1[O-])c1ccccc1",
        "std_free_energy": -1.0992431640625,
        "relative_population": 0.6479156375798023
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.76999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]