[
  {
    "molid": "mol30591",
    "smiles": "O=P(O)(O)c1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=P(O)(O)c1ccc(O)cc1",
        "std_free_energy": -2.051175832748413,
        "relative_population": 1.0
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=P([O-])([O-])c1ccc([O-])cc1",
        "std_free_energy": -1.3607804775238037,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=P([O-])(O)c1ccc(O)cc1",
        "std_free_energy": -10.855575561523438,
        "relative_population": 0.9999115966517997
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=P([O-])([O-])c1ccc(O)cc1",
        "std_free_energy": -10.769120216369629,
        "relative_population": 0.9995627344824922
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.99,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 1.99000000953674,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 7.25,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 9.9,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 9.89999961853027,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]