[
  {
    "molid": "mol35302",
    "smiles": "C/C(=N\\O)C(C)(C)NCCNC(C)(C)/C(C)=N/O",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C/C(=N\\O)C(C)(C)NCC[NH2+]C(C)(C)/C(C)=N/O",
        "std_free_energy": -8.486391067504883,
        "relative_population": 0.9874236086983452
      },
      {
        "id": "2_3",
        "charge": 2,
        "smiles": "C/C(=N\\O)C(C)(C)[NH2+]CC[NH2+]C(C)(C)/C(C)=N/O",
        "std_free_energy": -8.318730354309082,
        "relative_population": 0.9981795062302231
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.57999992370606,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]