[
  {
    "molid": "mol1601",
    "smiles": "Cc1nc(C)c(C(=O)O)o1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1nc(C)c(C(=O)O)o1",
        "std_free_energy": -4.674806594848633,
        "relative_population": 0.9977354939445668
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nc(C)c(C(=O)[O-])o1",
        "std_free_energy": -10.226194381713867,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.08,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]