[
  {
    "molid": "mol28966",
    "smiles": "O=C(O)c1ccccc1P(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1ccccc1P(=O)(O)O",
        "std_free_energy": 0.4474867880344391,
        "relative_population": 1.0
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=C([O-])c1ccccc1P(=O)([O-])[O-]",
        "std_free_energy": -14.340578079223633,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(O)c1ccccc1P(=O)([O-])O",
        "std_free_energy": -10.482935905456543,
        "relative_population": 0.8980905808512135
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])c1ccccc1P(=O)(O)O",
        "std_free_energy": -8.30674934387207,
        "relative_population": 0.10190941914878655
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C(O)c1ccccc1P(=O)([O-])[O-]",
        "std_free_energy": -12.926443099975586,
        "relative_population": 0.19300934771258144
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C([O-])c1ccccc1P(=O)([O-])O",
        "std_free_energy": -14.357016563415527,
        "relative_population": 0.8069906522874186
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.71,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 1.71000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.78,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 9.17,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "OCHEM"
      }
    ]
  }
]