[
  {
    "molid": "mol32776",
    "smiles": "CCC(C(=O)O)C(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_2",
        "charge": -1,
        "smiles": "CC[C@H](C(=O)[O-])[C@H](CO)Cc1cncn1C",
        "std_free_energy": -7.22418212890625,
        "relative_population": 0.9999997186586466
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.4699998,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]