[
  {
    "molid": "mol3218",
    "smiles": "NC(CCC(N)=NO)=NO",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "NC(CCC(N)=[NH+]O)=NO",
        "std_free_energy": -3.0780112743377686,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "NC(CCC(N)=[NH+]O)=[NH+]O",
        "std_free_energy": 4.088953971862793,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.9699998,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]