[
  {
    "molid": "mol28921",
    "smiles": "O=P(O)(O)c1cccc(O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=P(O)(O)c1cccc(O)c1",
        "std_free_energy": -1.892541527748108,
        "relative_population": 1.0
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=P([O-])([O-])c1cccc([O-])c1",
        "std_free_energy": -0.8754642009735107,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=P([O-])(O)c1cccc(O)c1",
        "std_free_energy": -11.704602241516113,
        "relative_population": 0.9999778219298673
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=P([O-])([O-])c1cccc(O)c1",
        "std_free_energy": -12.247377395629883,
        "relative_population": 0.9999267476033441
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.78,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 1.77999997138977,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 7.03,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 10.2,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 10.1999998092651,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]