[
  {
    "molid": "mol37130",
    "smiles": "O=[N+]([O-])c1ccc(COP(=O)(O)NS(=O)(=O)c2ccccc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1ccc(CO[P@@](=O)(O)NS(=O)(=O)c2ccccc2)cc1",
        "std_free_energy": -0.8069566488265991,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1ccc(CO[P@@](=O)([O-])NS(=O)(=O)c2ccccc2)cc1",
        "std_free_energy": -12.212359428405762,
        "relative_population": 0.6776156994823059
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1ccc(CO[P@@](=O)(O)[N-]S(=O)(=O)c2ccccc2)cc1",
        "std_free_energy": -11.469523429870605,
        "relative_population": 0.3223843005176941
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.62000000476837,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]