[
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    "molid": "mol34082",
    "smiles": "O=c1c(O)cccc2cc(O)c(O)c(O)c12",
    "microspecies": [
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        "relative_population": 1.0
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    ],
    "macro_pka_values": [
      {
        "pka_value": 6.90000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]