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/data/set2/dhfr00006.sdf

http://github.com/rajarshi/cdkr
Unknown | 102 lines | 102 code | 0 blank | 0 comment | 0 complexity | 3de22441a110136dbe8ded3e09914c71 MD5 | raw file
  11-125357
  2  Cerius2 12180216023D 1   1.00000                          
  3 Structure written by MMmdl.
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 89M  END
 90>  <Name>
 911-125357
 92>  <Family>
 93A
 94>  <PC_uM>
 950.5
 96>  <TG_uM>
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 98>  <RL_uM>
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100>  <set>
1011
102$$$$