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        "molfile": "\n  Marvin  01132107342D          \n\n 19 19  0  0  0  0            999 V2000\n    3.5679   -1.2394    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    3.6647   -2.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3329   -0.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7192   -1.2394    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1525   -1.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4333   -0.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8889   -1.5098    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8640   -0.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4757   -2.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4333   -2.4712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7192   -2.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1525   -2.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4333    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8073   -2.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0476   -2.6013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9090   -3.5679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -2.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5800   -2.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6061    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  1  2  0  0  0  0\n  4  6  2  0  0  0  0\n  5  8  1  0  0  0  0\n  6  5  1  0  0  0  0\n  7  3  1  0  0  0  0\n  8  1  1  0  0  0  0\n  9  2  2  0  0  0  0\n 10 12  1  0  0  0  0\n 11 10  2  0  0  0  0\n 12  5  2  0  0  0  0\n 13  6  1  0  0  0  0\n 14  9  1  0  0  0  0\n 15  2  1  0  0  0  0\n 16 18  1  0  0  0  0\n 17 11  1  0  0  0  0\n 18 14  1  0  0  0  0\n  9  7  1  0  0  0  0\n 11  4  1  0  0  0  0\nM  CHG  2   1   1  19  -1\nM  END",
        "smiles": "Cc1c(CCO)sc[n+]1Cc2cnc(C)nc2N.[Cl-]",
        "formula": "C12H17N4OS.Cl",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "300.8091",
        "optical_activity": "NONE",
        "references": [
          "13cd5243-fc61-491c-9093-78bdbd5a1730",
          "fd45f263-ca6c-43da-927c-94e4e6104482",
          "e9d19312-60ac-4214-8cbd-d3130cd9c990"
        ],
        "stereo_centers": 0
      },
      "unii": "X66NSO3N35"
    }
  ]
}