[
  {
    "molid": "mol37314",
    "smiles": "O=C(N[C@@H](CO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(N[C@@H](CO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl",
        "std_free_energy": -2.386174201965332,
        "relative_population": 1.0
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=C(N[C@@H](CO[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl",
        "std_free_energy": -10.622844696044922,
        "relative_population": 0.9985600984563514
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.95000004768372,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]