[
  {
    "molid": "mol19490",
    "smiles": "O=[N+]([O-])C1=Cc2ccccc2OC1Nc1cccc([N+](=O)[O-])c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])C1=Cc2ccccc2O[C@@H]1Nc1cccc([N+](=O)[O-])c1",
        "std_free_energy": -6.965976715087891,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=[N+]([O-])C1=Cc2ccccc2O[C@@H]1[NH2+]c1cccc([N+](=O)[O-])c1",
        "std_free_energy": 8.105571746826172,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.47,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]