[
  {
    "molid": "mol15141",
    "smiles": "CN(C)c1ccc(/N=N/c2ccncc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1ccc(/N=N/c2ccncc2)cc1",
        "std_free_energy": -5.8539910316467285,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)c1ccc(/N=N/c2cc[nH+]cc2)cc1",
        "std_free_energy": -3.699176549911499,
        "relative_population": 0.6187771165132251
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH+](C)c1ccc(/N=N/c2ccncc2)cc1",
        "std_free_energy": -2.5937082767486572,
        "relative_population": 0.2048497665601903
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CN(C)c1ccc(/N=[NH+]/c2ccncc2)cc1",
        "std_free_energy": -2.444033145904541,
        "relative_population": 0.17637311692658458
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.8,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.4,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.40000009536743,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]