[
  {
    "molid": "mol37923",
    "smiles": "CP(=O)(O)OCc1ccc2cccc(O)c2n1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[P@@](=O)([O-])OCc1ccc2cccc(O)c2n1",
        "std_free_energy": -11.01928424835205,
        "relative_population": 0.9996333265417137
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "C[P@@](=O)([O-])OCc1ccc2cccc([O-])c2n1",
        "std_free_energy": 0.33677351474761963,
        "relative_population": 0.9939669756733132
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.60999965667725,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]