[
  {
    "molid": "mol37480",
    "smiles": "O=[N+]([O-])c1ccc(/N=N/c2cc3c(O)c(c2)CCCN2CCOCCN(CCC3)CCOCC2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1ccc(/N=N/c2cc3c([O-])c(c2)CCC[NH+]2CCOCCN(CCC3)CCOCC2)cc1",
        "std_free_energy": -3.0568175315856934,
        "relative_population": 0.6962418505988657
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1ccc(/N=N/c2cc3c(O)c(c2)CCCN2CCOCCN(CCC3)CCOCC2)cc1",
        "std_free_energy": -2.2273507118225098,
        "relative_population": 0.3037576764820816
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1ccc(/N=N/c2cc3c([O-])c(c2)CCCN2CCOCCN(CCC3)CCOCC2)cc1",
        "std_free_energy": 3.6783645153045654,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]