[
  {
    "molid": "mol1276",
    "smiles": "CC(=O)N(C)c1ccccn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)N(C)c1ccccn1",
        "std_free_energy": -8.132089614868164,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(=O)N(C)c1cccc[nH+]1",
        "std_free_energy": 2.3490068912506104,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.01,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]