[
  {
    "molid": "mol8023",
    "smiles": "Cc1nc2cnccc2n(C)c1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nc2cnccc2n(C)c1=O",
        "std_free_energy": -7.702051162719727,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1[nH+]c2cnccc2n(C)c1=O",
        "std_free_energy": -0.26638105511665344,
        "relative_population": 0.4037943657035363
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1nc2c[nH+]ccc2n(C)c1=O",
        "std_free_energy": -0.6560609340667725,
        "relative_population": 0.5962056342964637
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.95,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]