[
  {
    "molid": "mol17928",
    "smiles": "Oc1cc(Cl)c(N=C2NCCN2)c(Cl)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[O-]c1cc(Cl)c([NH+]=C2NCCN2)c(Cl)c1",
        "std_free_energy": -2.7717268466949463,
        "relative_population": 0.3271455855606743
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Oc1cc(Cl)c(N=C2NCCN2)c(Cl)c1",
        "std_free_energy": -3.4928505420684814,
        "relative_population": 0.6728544144393258
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1cc(Cl)c(N=C2NCCN2)c(Cl)c1",
        "std_free_energy": 0.8506542444229126,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.95,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]