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          "molfile": "\n  Marvin  01132101562D          \n\n 20 22  0  0  0  0            999 V2000\n    1.0393   -5.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0393   -4.5269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3284   -4.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7584   -4.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7584   -3.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4692   -2.8808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1842   -3.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8909   -2.8808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6059   -3.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3168   -2.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0276   -3.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0401   -4.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3250   -4.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6059   -4.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8951   -4.5269    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1842   -4.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4692   -4.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7509   -4.5144    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    7.4617   -4.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7467   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  3  2  1  0  0  0  0\n  2  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4 17  2  0  0  0  0\n  5  6  2  0  0  0  0\n  6  7  1  0  0  0  0\n  8  7  1  0  0  0  0\n  7 16  2  0  0  0  0\n  8  9  2  0  0  0  0\n 10  9  1  0  0  0  0\n  9 14  1  0  0  0  0\n 11 10  2  0  0  0  0\n 12 11  1  0  0  0  0\n 12 13  1  0  0  0  0\n 18 12  2  3  0  0  0\n 13 14  2  0  0  0  0\n 14 15  1  0  0  0  0\n 16 15  1  0  0  0  0\n 17 16  1  0  0  0  0\n 19 18  1  0  0  0  0\n 20 18  1  0  0  0  0\nM  CHG  1  18   1\nM  END",
          "smiles": "CN(C)c1ccc2c(c1)sc-3cc(=[N+](C)C)ccc3n2",
          "formula": "C16H18N3S",
          "atropisomerism": "No",
          "charge": 1,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "95ccc259-879a-4e01-9fe8-4509d3ea6981"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "284.4009",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "17b2033f-198b-44bf-bf30-6280c9df833a",
      "version": "45",
      "structure": {
        "id": "d039a61c-42bf-4d2e-8c2a-2f3db46a0f7b",
        "molfile": "\n  Marvin  01132110462D          \n\n 21 22  0  0  0  0            999 V2000\n    3.8951   -4.5269    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0\n    3.8909   -2.8808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1842   -4.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6059   -4.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4692   -4.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3250   -4.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1842   -3.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6059   -3.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7584   -4.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0401   -4.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0393   -4.5269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7509   -4.5144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7584   -3.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0276   -3.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4692   -2.8808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3168   -2.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4617   -4.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7467   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0393   -5.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3284   -4.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1121   -4.1029    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0\n  7  3  1  0  0  0  0\n  8  4  2  0  0  0  0\n  9  5  2  0  0  0  0\n 10  6  2  0  0  0  0\n 11  9  1  0  0  0  0\n 12 10  1  0  0  0  0\n 13 15  2  0  0  0  0\n 14 16  2  0  0  0  0\n 15  7  1  0  0  0  0\n 16  8  1  0  0  0  0\n 17 12  1  0  0  0  0\n 18 12  1  0  0  0  0\n 19 11  1  0  0  0  0\n 20 11  1  0  0  0  0\n  2  7  2  0  0  0  0\n 10 14  1  0  0  0  0\n  9 13  1  0  0  0  0\n  2  8  1  0  0  0  0\n  3  1  2  0  0  0  0\n  4  1  1  0  0  0  0\n  5  3  1  0  0  0  0\n  6  4  1  0  0  0  0\nM  CHG  2   1   1  21  -1\nM  END",
        "smiles": "CN(C)c1ccc2c(c1)[s+]c3cc(ccc3n2)N(C)C.[Cl-]",
        "formula": "C16H18N3S.Cl",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "319.8538",
        "optical_activity": "NONE",
        "references": [
          "cf9f78e2-e8f7-47ce-bbaa-9e51560da94e",
          "584d2f80-7313-49c3-94d1-688f63079d75",
          "49ce986f-92c9-4a77-b47a-a48a3ed2d540"
        ],
        "stereo_centers": 0
      },
      "unii": "8NAP7826UB"
    }
  ]
}