[
  {
    "molid": "mol11560",
    "smiles": "O=C(O)c1cc2ccccc2cc1OP(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1cc2ccccc2cc1OP(=O)(O)O",
        "std_free_energy": 0.08036752045154572,
        "relative_population": 1.0
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=C([O-])c1cc2ccccc2cc1OP(=O)([O-])[O-]",
        "std_free_energy": -13.46209716796875,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1cc2ccccc2cc1OP(=O)(O)O",
        "std_free_energy": -8.375605583190918,
        "relative_population": 0.3914904504064111
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(O)c1cc2ccccc2cc1OP(=O)([O-])O",
        "std_free_energy": -8.816657066345215,
        "relative_population": 0.6085095495935889
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C(O)c1cc2ccccc2cc1OP(=O)([O-])[O-]",
        "std_free_energy": -11.956703186035156,
        "relative_population": 0.11088210583084052
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C([O-])c1cc2ccccc2cc1OP(=O)([O-])O",
        "std_free_energy": -14.03846549987793,
        "relative_population": 0.8891178941691594
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.46,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 1.46000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.7,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 6.34,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]