[
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    "microspecies": [
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        "id": "2_1",
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        "smiles": "O=C(O)C[NH+](CCCCCCCC[NH+](CC(=O)O)CC(=O)O)CC(=O)O",
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        "id": "-2_1",
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        "smiles": "O=C([O-])C[NH+](CCCCCCCC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]",
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        "relative_population": 1.0
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        "id": "-3_2",
        "charge": -3,
        "smiles": "O=C([O-])CN(CCCCCCCC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]",
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        "id": "-1_2",
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        "smiles": "O=C([O-])C[NH+](CCCCCCCCN(CC(=O)O)CC(=O)O)CC(=O)[O-]",
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        "relative_population": 0.09061938284449893
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        "id": "-1_4",
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        "smiles": "O=C([O-])CN(CCCCCCCC[NH+](CC(=O)O)CC(=O)O)CC(=O)[O-]",
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        "relative_population": 0.05046778734340755
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        "id": "-1_5",
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        "smiles": "O=C([O-])C[NH+](CCCCCCCC[NH+](CC(=O)[O-])CC(=O)O)CC(=O)[O-]",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 2.0,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.91,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.94,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.77,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.75,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.75,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]