[
  {
    "molid": "mol29017",
    "smiles": "O=[N+]([O-])c1ccc(P(=O)(O)O)c([N+](=O)[O-])c1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1ccc(P(=O)([O-])O)c([N+](=O)[O-])c1",
        "std_free_energy": -13.19381332397461,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=[N+]([O-])c1ccc(P(=O)([O-])[O-])c([N+](=O)[O-])c1",
        "std_free_energy": -14.97895622253418,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.38,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]