[
  {
    "molid": "mol36401",
    "smiles": "CN(C)c1ccc(N=Nc2ccc(/C=C/C(=O)O)cc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1ccc(N=Nc2ccc(/C=C/C(=O)O)cc2)cc1",
        "std_free_energy": -5.324934959411621,
        "relative_population": 0.7014761276818735
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "C[NH+](C)c1ccc(N=Nc2ccc(/C=C/C(=O)[O-])cc2)cc1",
        "std_free_energy": -4.464008331298828,
        "relative_population": 0.29656316775780533
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)c1ccc(N=Nc2ccc(/C=C/C(=O)[O-])cc2)cc1",
        "std_free_energy": -9.637065887451172,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.80000019073486,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]