[
  {
    "molid": "mol20649",
    "smiles": "COc1cc(Cl)c(N=C2NCCN2)c(Cl)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc(Cl)c(N=C2NCCN2)c(Cl)c1",
        "std_free_energy": -3.588404655456543,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1cc(Cl)c([NH+]=C2NCCN2)c(Cl)c1",
        "std_free_energy": -6.411755561828613,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.57,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]