[
  {
    "molid": "mol32071",
    "smiles": "NC(Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+][C@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)[O-]",
        "std_free_energy": -9.600013732910156,
        "relative_population": 0.9982245421232452
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[NH3+][C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)C(=O)[O-]",
        "std_free_energy": -9.055394172668457,
        "relative_population": 0.9263136736915826
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "N[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)[O-]",
        "std_free_energy": -6.507617950439453,
        "relative_population": 0.07248913550626543
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]