[
  {
    "molid": "mol33035",
    "smiles": "NC(C(=O)O)C(O)CC(=O)O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "[NH3+][C@H](C(=O)[O-])[C@@H](O)CC(=O)O",
        "std_free_energy": -8.622213363647461,
        "relative_population": 0.9988240082528705
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        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+][C@H](C(=O)O)[C@@H](O)CC(=O)O",
        "std_free_energy": 1.5243712663650513,
        "relative_population": 0.9521994027755802
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      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[NH3+][C@H](C(=O)[O-])[C@@H](O)CC(=O)[O-]",
        "std_free_energy": -14.168974876403809,
        "relative_population": 0.9984739729489247
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "N[C@H](C(=O)[O-])[C@@H](O)CC(=O)[O-]",
        "std_free_energy": -9.193166732788086,
        "relative_population": 0.9999984081140856
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    ],
    "macro_pka_values": [
      {
        "pka_value": 4.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.23999977111816,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 2.32,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.3199999332428,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 9.6,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 9.5600004196167,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]