[
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    "molid": "mol36109",
    "smiles": "O=C(O)CCN(CCC(=O)O)c1ccccc1O",
    "microspecies": [
      {
        "id": "0_1",
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        "smiles": "O=C([O-])CC[NH+](CCC(=O)O)c1ccccc1O",
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        "smiles": "O=C([O-])CCN(CCC(=O)[O-])c1ccccc1[O-]",
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        "relative_population": 1.0
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        "id": "-2_1",
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        "smiles": "O=C([O-])CC[NH+](CCC(=O)[O-])c1ccccc1[O-]",
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        "id": "-2_2",
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        "id": "-1_2",
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    "macro_pka_values": [
      {
        "pka_value": 3.22000002861023,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 11.0,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 7.13000011444092,
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        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]