[
  {
    "molid": "mol37342",
    "smiles": "O=P(O)(O)O[C@@H]1[C@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1OP(=O)(O)O",
    "microspecies": [
      {
        "id": "-6_6",
        "charge": -6,
        "smiles": "O=P([O-])([O-])O[C@@H]1[C@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@H](O)[C@H]1OP(=O)([O-])[O-]",
        "std_free_energy": -13.251199722290039,
        "relative_population": 0.9999981060322234
      },
      {
        "id": "-5_16",
        "charge": -5,
        "smiles": "O=P([O-])([O-])O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@@H]1OP(=O)([O-])O",
        "std_free_energy": -13.70595645904541,
        "relative_population": 0.4823233501002547
      },
      {
        "id": "-5_26",
        "charge": -5,
        "smiles": "O=P([O-])([O-])O[C@@H]1[C@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@H](O)[C@H]1OP(=O)([O-])O",
        "std_free_energy": -13.776688575744629,
        "relative_population": 0.5176745985091832
      },
      {
        "id": "-4_1",
        "charge": -4,
        "smiles": "O=P([O-])([O-])O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@@H]1OP(=O)(O)O",
        "std_free_energy": -13.1588773727417,
        "relative_population": 0.1913878296178336
      },
      {
        "id": "-4_3",
        "charge": -4,
        "smiles": "O=P([O-])([O-])O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP(=O)([O-])O)[C@@H]1OP(=O)([O-])O",
        "std_free_energy": -13.662302017211914,
        "relative_population": 0.3166276682201941
      },
      {
        "id": "-4_5",
        "charge": -4,
        "smiles": "O=P([O-])([O-])O[C@@H]1[C@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@H](O)[C@H]1OP(=O)(O)O",
        "std_free_energy": -13.024335861206055,
        "relative_population": 0.16729527741435235
      },
      {
        "id": "-4_21",
        "charge": -4,
        "smiles": "O=P([O-])([O-])O[C@@H]1[C@H](OP(=O)([O-])O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1OP(=O)([O-])O",
        "std_free_energy": -13.6874361038208,
        "relative_population": 0.3246866690182807
      },
      {
        "id": "-3_2",
        "charge": -3,
        "smiles": "O=P([O-])([O-])O[C@@H]1[C@H](OP(=O)([O-])O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1OP(=O)(O)O",
        "std_free_energy": -12.833395004272461,
        "relative_population": 0.2019318171876542
      },
      {
        "id": "-3_3",
        "charge": -3,
        "smiles": "O=P([O-])([O-])O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)([O-])O",
        "std_free_energy": -12.856854438781738,
        "relative_population": 0.20672502659481573
      },
      {
        "id": "-3_7",
        "charge": -3,
        "smiles": "O=P([O-])([O-])O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP(=O)([O-])O)[C@@H]1OP(=O)(O)O",
        "std_free_energy": -13.014235496520996,
        "relative_population": 0.24195955739677982
      },
      {
        "id": "-3_17",
        "charge": -3,
        "smiles": "O=P([O-])(O)O[C@@H]1[C@H](OP(=O)([O-])O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1OP(=O)([O-])O",
        "std_free_energy": -13.381627082824707,
        "relative_population": 0.3493807075729143
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.07999992370606,
        "charge_state_pre": -5,
        "charge_state_post": -6,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 5.6100001335144,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "QSARToolbox"
      }
    ]
  }
]