[
  {
    "molid": "mol20850",
    "smiles": "NC1CCc2cc(O)c(O)cc2C1",
    "microspecies": [
      {
        "id": "0_1",
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        "smiles": "[NH3+][C@H]1CCc2cc(O)c([O-])cc2C1",
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        "id": "0_3",
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        "smiles": "[NH3+][C@H]1CCc2cc([O-])c(O)cc2C1",
        "std_free_energy": -3.545232057571411,
        "relative_population": 0.3798674737846335
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        "id": "-1_1",
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        "smiles": "N[C@H]1CCc2cc(O)c([O-])cc2C1",
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        "id": "-1_2",
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        "smiles": "[NH3+][C@H]1CCc2cc([O-])c([O-])cc2C1",
        "std_free_energy": 7.422964572906494,
        "relative_population": 0.07553041115350896
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      {
        "id": "-1_3",
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        "smiles": "N[C@H]1CCc2cc([O-])c(O)cc2C1",
        "std_free_energy": 5.5804901123046875,
        "relative_population": 0.47675838515781516
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    ],
    "macro_pka_values": [
      {
        "pka_value": 9.84,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]