[
  {
    "molid": "mol32305",
    "smiles": "Oc1ccc(N=Nc2ccccc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1ccc(N=Nc2ccccc2)cc1",
        "std_free_energy": -6.147790431976318,
        "relative_population": 0.9999862364947032
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Oc1ccc(N=[NH+]c2ccccc2)cc1",
        "std_free_energy": 6.235090255737305,
        "relative_population": 0.5192597827946459
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Oc1ccc([NH+]=Nc2ccccc2)cc1",
        "std_free_energy": 6.327583312988281,
        "relative_population": 0.4733860578594986
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ccc(N=Nc2ccccc2)cc1",
        "std_free_energy": -1.8807358741760254,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.4399996,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": -0.93,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]