[
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    "microspecies": [
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        "smiles": "O=S(=O)(O)c1cc(/N=N/c2cccc(C(O)=[OH+])c2)c(O)c2ncccc12",
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        "id": "-3_1",
        "charge": -3,
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        "relative_population": 1.0
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        "id": "-2_1",
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        "smiles": "O=C([O-])c1cccc(/N=N/c2cc(S(=O)(=O)[O-])c3cccnc3c2O)c1",
        "std_free_energy": -11.760135650634766,
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    "macro_pka_values": [
      {
        "pka_value": 3.27,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 2.34,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 7.52,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]