[
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    "molid": "mol37825",
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    "microspecies": [
      {
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        "smiles": "O=C(O)C1=NO[C@H]2C[NH2+][C@H](C(=O)[O-])[C@@H]12",
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        "id": "1_2",
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        "smiles": "O=C(O)C1=[NH+]O[C@H]2CN[C@H](C(=O)O)[C@@H]12",
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        "std_free_energy": 3.6836965084075928,
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    "macro_pka_values": [
      {
        "pka_value": 2.15000009536743,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]