[
  {
    "molid": "mol13408",
    "smiles": "O=[N+]([O-])c1ccc2cccnc2c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1ccc2ccc[nH+]c2c1[O-]",
        "std_free_energy": -3.080911874771118,
        "relative_population": 0.08538674135524142
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1ccc2cccnc2c1O",
        "std_free_energy": -5.4522223472595215,
        "relative_population": 0.9146132586447586
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=[N+]([O-])c1ccc2ccc[nH+]c2c1O",
        "std_free_energy": 5.217206001281738,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.94,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 1.9400001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 1.94000005722046,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]