[
  {
    "molid": "mol15404",
    "smiles": "CCc1ccc(/N=N/c2ccc(N(C)C)cc2)cc1CC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCc1ccc(/N=N/c2ccc(N(C)C)cc2)cc1CC",
        "std_free_energy": -7.998978614807129,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCc1ccc(/N=N/c2ccc([NH+](C)C)cc2)cc1CC",
        "std_free_energy": 1.3757628202438354,
        "relative_population": 0.8247474620310196
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCc1ccc(/N=[NH+]/c2ccc(N(C)C)cc2)cc1CC",
        "std_free_energy": 2.924612045288086,
        "relative_population": 0.17525253796898052
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.58,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]