[
  {
    "molid": "mol37182",
    "smiles": "O=P(O)(O)O[C@@H]1[C@@H](OP(=O)(O)O)COC[C@H]1OP(=O)(O)O",
    "microspecies": [
      {
        "id": "-4_1",
        "charge": -4,
        "smiles": "O=P([O-])([O-])O[C@@H]1[C@@H](OP(=O)([O-])[O-])COC[C@H]1OP(=O)(O)O",
        "std_free_energy": -13.08470344543457,
        "relative_population": 0.16689304495857174
      },
      {
        "id": "-4_2",
        "charge": -4,
        "smiles": "O=P([O-])([O-])O[C@@H]1[C@@H](OP(=O)([O-])O)COC[C@H]1OP(=O)([O-])O",
        "std_free_energy": -13.6874361038208,
        "relative_population": 0.30493108988524487
      },
      {
        "id": "-4_3",
        "charge": -4,
        "smiles": "O=P([O-])([O-])O[C@H]1COC[C@@H](OP(=O)([O-])O)[C@@H]1OP(=O)([O-])O",
        "std_free_energy": -13.960975646972656,
        "relative_population": 0.40086525942362483
      },
      {
        "id": "-4_4",
        "charge": -4,
        "smiles": "O=P([O-])([O-])O[C@H]1COC[C@@H](OP(=O)([O-])[O-])[C@@H]1OP(=O)(O)O",
        "std_free_energy": -12.813980102539062,
        "relative_population": 0.12731060573255845
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=P([O-])([O-])O[C@H]1COC[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)([O-])O",
        "std_free_energy": -12.207117080688477,
        "relative_population": 0.14982439071395823
      },
      {
        "id": "-3_2",
        "charge": -3,
        "smiles": "O=P([O-])([O-])O[C@@H]1[C@@H](OP(=O)([O-])O)COC[C@H]1OP(=O)(O)O",
        "std_free_energy": -12.407779693603516,
        "relative_population": 0.18311721970196793
      },
      {
        "id": "-3_3",
        "charge": -3,
        "smiles": "O=P([O-])(O)O[C@@H]1[C@@H](OP(=O)([O-])O)COC[C@H]1OP(=O)([O-])O",
        "std_free_energy": -13.178304672241211,
        "relative_population": 0.3956980701148542
      },
      {
        "id": "-3_4",
        "charge": -3,
        "smiles": "O=P([O-])([O-])O[C@H]1COC[C@@H](OP(=O)([O-])O)[C@@H]1OP(=O)(O)O",
        "std_free_energy": -12.801100730895996,
        "relative_population": 0.27136031946921974
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.44000005722046,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "QSARToolbox"
      }
    ]
  }
]