[
  {
    "molid": "mol9763",
    "smiles": "NC(Cn1cccn1)C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+][C@H](Cn1cccn1)C(=O)[O-]",
        "std_free_energy": -12.922781944274902,
        "relative_population": 0.9936262958364553
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "[NH3+][C@H](Cn1cccn1)C(=O)O",
        "std_free_energy": -2.4820680618286133,
        "relative_population": 0.9675727667031718
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]