[
  {
    "molid": "mol5793",
    "smiles": "CN=C(NC)NC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN=C(NC)NC",
        "std_free_energy": 1.7437670230865479,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CNC(NC)=[NH+]C",
        "std_free_energy": -14.790645599365234,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 14.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]