[
  {
    "molid": "mol28917",
    "smiles": "Nc1cccc(P(=O)(O)O)c1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Nc1cccc(P(=O)([O-])O)c1",
        "std_free_energy": -12.361111640930176,
        "relative_population": 0.9929385690288743
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Nc1cccc(P(=O)([O-])[O-])c1",
        "std_free_energy": -11.799599647521973,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.16,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.15999984741211,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]