[
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    "molid": "mol17171",
    "smiles": "Cc1cc(C)nc(Nc2cc(NCC3(N)CC3)cnc2C(N)=O)c1",
    "microspecies": [
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        "smiles": "Cc1cc(C)[nH+]c(Nc2cc(NCC3(N)CC3)cnc2C(N)=O)c1",
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        "smiles": "Cc1cc(C)nc(Nc2cc(NCC3([NH3+])CC3)cnc2C(N)=O)c1",
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      {
        "id": "1_5",
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        "std_free_energy": -6.708699703216553,
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    ],
    "macro_pka_values": [
      {
        "pka_value": 7.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]