Mol:COX00004

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441185 
  CDK    9/16/09,16:56 
 
 58 61  0  0  0  0  0  0  0  0999 V2000 
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  1 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
  2 15  1  0  0  0  0 
  2 53  1  0  0  0  0 
  3 28  2  0  0  0  0 
  4  7  1  0  0  0  0 
  4  8  1  0  0  0  0 
  4 11  1  0  0  0  0 
  5  9  1  0  0  0  0 
  5 10  1  0  0  0  0 
  5 13  1  0  0  0  0 
  6 14  1  0  0  0  0 
  6 16  1  0  0  0  0 
  6 17  1  0  0  0  0 
  7  9  1  0  0  0  0 
  7 30  1  0  0  0  0 
  7 31  1  0  0  0  0 
  8 10  1  0  0  0  0 
  8 32  1  0  0  0  0 
  8 33  1  0  0  0  0 
  9 34  1  0  0  0  0 
  9 35  1  0  0  0  0 
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 15 47  1  0  0  0  0 
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 16 20  1  0  0  0  0 
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 22 24  2  0  0  0  0 
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 23 27  1  0  0  0  0 
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 29 56  1  0  0  0  0 
 29 57  1  0  0  0  0 
 29 58  1  0  0  0  0 
S  SKP  6 
NAME	Acetophenazine 
ID	COX00004 
FORMULA	C23H29N3O2S 
EXACTMASS	411.198047877 
AVERAGEMASS	411.56138 
SMILES	[H]OC([H])([H])C([H])([H])N(C([H])([H])4)C([H])([H])C([H])([H])N(C([H])([H])4)C([H])([H])C([H])([H])C([H])([H])N(c32)c(c([H])1)c(Sc(c([H])c([H])c([H])c([H])3)2)c([H])c(C(=O)C([H])([H])[H])c([H])1 
M  END
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