[
  {
    "molid": "mol14452",
    "smiles": "CC[C@H](C(=O)O)[C@H](CO)Cc1cncn1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@H](C(=O)[O-])[C@H](CO)Cc1c[nH+]cn1C",
        "std_free_energy": -8.74332046508789,
        "relative_population": 0.9945453473071132
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC[C@H](C(=O)[O-])[C@H](CO)Cc1cncn1C",
        "std_free_energy": -7.224181652069092,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.47,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.46999979019165,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]