[
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    "molid": "mol31900",
    "smiles": "C[S+]([O-])Cc1cccc(C[S+](C)[O-])n1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[S@@+]([O-])Cc1cccc(C[S@@+](C)[O-])n1",
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        "id": "1_1",
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        "smiles": "C[S@@+]([O-])Cc1cccc(C[S@@+](C)O)n1",
        "std_free_energy": 3.694746255874634,
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        "smiles": "C[S@@+](O)[CH-]c1cccc(C[S@@+](C)O)n1",
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        "id": "1_3",
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        "smiles": "C[S@@+]([O-])Cc1cccc(C[S@@+](C)[O-])[nH+]1",
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    "macro_pka_values": [
      {
        "pka_value": 1.53,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
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        "pka_value": 1.52999997138977,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]