[
  {
    "molid": "mol14907",
    "smiles": "CC(C)N/C=N/c1ccc(-c2cncn2C)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)N/C=N/c1ccc(-c2cncn2C)cc1",
        "std_free_energy": -2.3823723793029785,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C)N/C=[NH+]/c1ccc(-c2cncn2C)cc1",
        "std_free_energy": -7.549950122833252,
        "relative_population": 0.6982151249762747
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(C)N/C=N/c1ccc(-c2c[nH+]cn2C)cc1",
        "std_free_energy": -6.711137294769287,
        "relative_population": 0.30178487502372536
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "CC(C)N/C=[NH+]/c1ccc(-c2c[nH+]cn2C)cc1",
        "std_free_energy": -7.489181995391846,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.83,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.8299999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 6.51,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.51000022888184,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]