[
  {
    "molid": "mol32748",
    "smiles": "CN(C)c1ccc(C=Cc2nnnn2-c2ccccc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1ccc(C=Cc2nnnn2-c2ccccc2)cc1",
        "std_free_energy": -8.022218704223633,
        "relative_population": 1.0
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "C[NH+](C)c1ccc(C=Cc2nnnn2-c2ccccc2)cc1",
        "std_free_energy": -0.8772273063659668,
        "relative_population": 0.9973694857701692
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.47,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.47000002861023,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]