[
  {
    "molid": "mol16763",
    "smiles": "CC(C)N(Cc1no[n+]([O-])c1C(N)=O)C(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)N(Cc1no[n+]([O-])c1C(N)=O)C(C)C",
        "std_free_energy": -4.364872932434082,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C)[NH+](Cc1no[n+]([O-])c1C(N)=O)C(C)C",
        "std_free_energy": -7.081109046936035,
        "relative_population": 0.9931712699816374
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.62,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]