[
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    "molid": "mol32905",
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    "microspecies": [
      {
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        "id": "3_1",
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        "smiles": "CC[C@@]1(O)C[C@@H]2C[NH+](CCc3c([nH]c4ccccc34)[C@](C(=O)OC)(c3cc4c(cc3OC)[NH+](C)[C@H]3[C@](O)(C(=O)OC)[C@@H](OC(C)=O)[C@@]5(CC)C=CC[NH+]6CC[C@@]43[C@H]65)C2)C1",
        "std_free_energy": 3.4400596618652344,
        "relative_population": 1.0
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    ],
    "macro_pka_values": [
      {
        "pka_value": 6.94,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      },
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        "charge_state_pre": 3,
        "charge_state_post": 2,
        "data_source": "OCHEM"
      }
    ]
  }
]