[
  {
    "molid": "mol33185",
    "smiles": "CNc1ccc(N=N)cc1SC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNc1ccc(N=N)cc1SC",
        "std_free_energy": -5.951742649078369,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH2+]c1ccc(N=N)cc1SC",
        "std_free_energy": 0.2786402106285095,
        "relative_population": 0.24994714931251696
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CNc1ccc(N=[NH2+])cc1SC",
        "std_free_energy": -0.8202539682388306,
        "relative_population": 0.7500528506874831
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.03,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.29999995231628,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]