[
  {
    "molid": "mol15150",
    "smiles": "CN(C)c1ccc(/C=C/c2ccncc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1ccc(/C=C/c2ccncc2)cc1",
        "std_free_energy": -4.956783294677734,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)c1ccc(/C=C/c2cc[nH+]cc2)cc1",
        "std_free_energy": -4.113211631774902,
        "relative_population": 0.6941433987237301
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH+](C)c1ccc(/C=C/c2ccncc2)cc1",
        "std_free_energy": -3.293649435043335,
        "relative_population": 0.30585660127626996
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[NH+](C)c1ccc(/C=C/c2cc[nH+]cc2)cc1",
        "std_free_energy": 3.2721190452575684,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.25,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.34000015258789,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.42,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      }
    ]
  }
]