[
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    "molid": "mol34903",
    "smiles": "CC1(C)CN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)C1",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "CC1(C)C[NH+](CC(=O)[O-])CCN(CC(=O)O)CCN(CC(=O)[O-])CC[NH+](CC(=O)O)C1",
        "std_free_energy": -13.555161476135254,
        "relative_population": 0.982932798547238
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      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC1(C)C[NH+](CC(=O)[O-])CC[NH+](CC(=O)[O-])CC[NH+](CC(=O)O)CC[NH+](CC(=O)[O-])C1",
        "std_free_energy": -4.182861328125,
        "relative_population": 0.24979528456261818
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CC1(C)C[NH+](CC(=O)O)CCN(CC(=O)[O-])CC[NH+](CC(=O)[O-])CC[NH+](CC(=O)O)C1",
        "std_free_energy": -3.3903896808624268,
        "relative_population": 0.11308842936230683
      },
      {
        "id": "1_22",
        "charge": 1,
        "smiles": "CC1(C)C[NH+](CC(=O)[O-])CC[NH+](CC(=O)[O-])CC[NH+](CC(=O)[O-])CC[NH+](CC(=O)O)C1",
        "std_free_energy": -3.694150447845459,
        "relative_population": 0.15322858719414453
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.96000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]