[
  {
    "molid": "mol11784",
    "smiles": "O=P(O)(O)c1ccc(N=Nc2ccc(O)cc2)cc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=P([O-])(O)c1ccc(N=Nc2ccc(O)cc2)cc1",
        "std_free_energy": -11.29288101196289,
        "relative_population": 0.9984921353849213
      },
      {
        "id": "-2_4",
        "charge": -2,
        "smiles": "O=P([O-])([O-])c1ccc(N=Nc2ccc(O)cc2)cc1",
        "std_free_energy": -11.054943084716797,
        "relative_population": 0.9990259022063656
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.4,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]