[
  {
    "molid": "mol38270",
    "smiles": "O=C(O)C(CO)NCc1cccc([N+](=O)[O-])c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1",
        "std_free_energy": -11.041373252868652,
        "relative_population": 0.9997024355699766
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(O)[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1",
        "std_free_energy": 0.24822553992271423,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.25,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]