[
  {
    "molid": "mol38355",
    "smiles": "CC1(C)CN=C(Nc2cccnc2)N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)CN=C(Nc2cccnc2)N1",
        "std_free_energy": -1.0542510747909546,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC1(C)CN=C(Nc2ccc[nH+]c2)N1",
        "std_free_energy": -7.0281853675842285,
        "relative_population": 0.10248233328546481
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC1(C)C[NH+]=C(Nc2cccnc2)N1",
        "std_free_energy": -9.198127746582031,
        "relative_population": 0.8975176667145351
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.19999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]