[
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    "molid": "mol29865",
    "smiles": "NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](N)C[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]1O",
    "microspecies": [
      {
        "id": "2_14",
        "charge": 2,
        "smiles": "N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](N)C[C@@H]2[NH3+])O[C@H](C[NH3+])[C@@H](O)[C@@H]1O",
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        "std_free_energy": -10.90640640258789,
        "relative_population": 0.3688027574811303
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        "id": "4_9",
        "charge": 4,
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    ],
    "macro_pka_values": [
      {
        "pka_value": 7.73,
        "charge_state_pre": 3,
        "charge_state_post": 2,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 6.35,
        "charge_state_pre": 4,
        "charge_state_post": 3,
        "data_source": "AttenGpKa training set"
      },
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        "pka_value": 7.23,
        "charge_state_pre": 4,
        "charge_state_post": 3,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]