[
  {
    "molid": "mol35917",
    "smiles": "Cc1cccnc1N=Cc1cc([N+](=O)[O-])ccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cccnc1N=Cc1cc([N+](=O)[O-])ccc1O",
        "std_free_energy": -4.784581661224365,
        "relative_population": 0.39137641409279983
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cccnc1[NH+]=Cc1cc([N+](=O)[O-])ccc1[O-]",
        "std_free_energy": -4.270641803741455,
        "relative_population": 0.2340956834232189
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cc1ccc[nH+]c1N=Cc1cc([N+](=O)[O-])ccc1[O-]",
        "std_free_energy": -4.7405781745910645,
        "relative_population": 0.37452790248398127
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cccnc1N=Cc1cc([N+](=O)[O-])ccc1[O-]",
        "std_free_energy": -3.932154655456543,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.63700008392334,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]