[
  {
    "molid": "mol15794",
    "smiles": "Oc1ccc(/N=N/c2ccncc2)cc1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Oc1ccc(/N=N/c2ccncc2)cc1",
        "std_free_energy": -4.845307350158691,
        "relative_population": 0.9538976526486527
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Oc1ccc(/N=[NH+]/c2ccncc2)cc1",
        "std_free_energy": 0.737159788608551,
        "relative_population": 0.10382637127815722
      },
      {
        "id": "1_5",
        "charge": 1,
        "smiles": "Oc1ccc(/[NH+]=N/c2ccncc2)cc1",
        "std_free_energy": 0.26528072357177734,
        "relative_population": 0.16643403788359445
      },
      {
        "id": "1_6",
        "charge": 1,
        "smiles": "Oc1ccc(/N=N/c2cc[nH+]cc2)cc1",
        "std_free_energy": -1.2124024629592896,
        "relative_population": 0.7294437435857833
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ccc(/N=N/c2ccncc2)cc1",
        "std_free_energy": -2.5025227069854736,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.73,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 4.65,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]