[
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    "molid": "mol12094",
    "smiles": "CCCCCCCCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O",
    "microspecies": [
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        "smiles": "CCCCCCCC[NH+](CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)O",
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        "id": "-2_1",
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        "smiles": "CCCCCCCCN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]",
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        "id": "-1_7",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 1.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 1.89999997615814,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 9.76,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 6.53,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]