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/data/set2/dhfr00032.sdf

http://github.com/rajarshi/cdkr
Unknown | 110 lines | 110 code | 0 blank | 0 comment | 0 complexity | 75e19f4a770ba6cdaf6606b0fbfa0ec5 MD5 | raw file
  12-24a
  2  Cerius2 12180216023D 1   1.00000                          
  3 Structure written by MMmdl.
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 97M  END
 98>  <Name>
 992-24a
100>  <Family>
101A
102>  <PC_uM>
1030.120000
104>  <TG_uM>
1050.070000
106>  <RL_uM>
1070.630000
108>  <set>
1091
110$$$$