[
  {
    "molid": "mol28951",
    "smiles": "NNc1ccc(P(=O)(O)O)cc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NNc1ccc(P(=O)([O-])O)cc1",
        "std_free_energy": -11.040056228637695,
        "relative_population": 0.8652442203220729
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[NH3+]Nc1ccc(P(=O)([O-])[O-])cc1",
        "std_free_energy": -8.924992561340332,
        "relative_population": 0.10437061135802107
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "NNc1ccc(P(=O)([O-])[O-])cc1",
        "std_free_energy": -9.309141159057617,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.53999996185303,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 7.54,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]