[
  {
    "molid": "mol17924",
    "smiles": "COc1cc(OC)c(N=C2NCCN2)cc1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc(OC)c(N=C2NCCN2)cc1Cl",
        "std_free_energy": -1.8095159530639648,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1cc(OC)c([NH+]=C2NCCN2)cc1Cl",
        "std_free_energy": -8.138818740844727,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.15,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]