[
  {
    "molid": "mol29059",
    "smiles": "O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=P(O)(O)OC[C@@H]1O[C@@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O",
        "std_free_energy": 0.2580609917640686,
        "relative_population": 1.0
      },
      {
        "id": "-3_9",
        "charge": -3,
        "smiles": "O=P([O-])([O-])OC[C@@H]1O[C@@](O)(COP(=O)([O-])O)[C@@H](O)[C@@H]1O",
        "std_free_energy": -13.069849014282227,
        "relative_population": 0.4896589356726732
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      {
        "id": "-3_10",
        "charge": -3,
        "smiles": "O=P([O-])([O-])OC[C@]1(O)O[C@@H](COP(=O)([O-])O)[C@@H](O)[C@@H]1O",
        "std_free_energy": -13.110841751098633,
        "relative_population": 0.5101484878141499
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      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=P([O-])(O)OC[C@@H]1O[C@@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O",
        "std_free_energy": -9.798397064208984,
        "relative_population": 0.5944142983789138
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      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=P([O-])(O)OC[C@]1(O)O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O",
        "std_free_energy": -9.415358543395996,
        "relative_population": 0.40526372476594263
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=P([O-])([O-])OC[C@]1(O)O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O",
        "std_free_energy": -11.14105224609375,
        "relative_population": 0.12631157610084529
      },
      {
        "id": "-2_5",
        "charge": -2,
        "smiles": "O=P([O-])([O-])OC[C@@H]1O[C@@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O",
        "std_free_energy": -10.848387718200684,
        "relative_population": 0.09426284965072072
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      {
        "id": "-2_7",
        "charge": -2,
        "smiles": "O=P([O-])(O)OC[C@@H]1O[C@@](O)(COP(=O)([O-])O)[C@@H](O)[C@@H]1O",
        "std_free_energy": -12.959278106689453,
        "relative_population": 0.7781953158650459
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    ],
    "macro_pka_values": [
      {
        "pka_value": 1.52,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 6.31,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]