[
  {
    "molid": "mol34453",
    "smiles": "CC(C)CC(N)P(=O)(O)CCC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)C[C@H]([NH3+])[P@@](=O)(O)CCC(=O)[O-]",
        "std_free_energy": -8.121169090270996,
        "relative_population": 0.10702823722388909
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "CC(C)C[C@H]([NH3+])[P@@](=O)([O-])CCC(=O)O",
        "std_free_energy": -10.242609024047852,
        "relative_population": 0.8929518255887107
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        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C)C[C@H](N)[P@](O)(=[OH+])CCC(=O)O",
        "std_free_energy": 0.6825231313705444,
        "relative_population": 0.05846260755817317
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      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CC(C)C[C@H]([NH3+])[P@@](=O)(O)CCC(=O)O",
        "std_free_energy": -2.0545291900634766,
        "relative_population": 0.9027446052790413
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    ],
    "macro_pka_values": [
      {
        "pka_value": 1.23000001907349,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]