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/data/set2/dhfr00038.sdf

http://github.com/rajarshi/cdkr
Unknown | 127 lines | 127 code | 0 blank | 0 comment | 0 complexity | 7cd68951b1732d55d24dc8760fdc94ef MD5 | raw file
  13-10
  2  Cerius2 12180216023D 1   1.00000                          
  3 Structure written by MMmdl.
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113M  CHG  2  25   1  27  -1
114M  END
115>  <Name>
1163-10
117>  <Family>
118A
119>  <PC_uM>
1200.270000
121>  <TG_uM>
1220.003100
123>  <RL_uM>
1240.003800
125>  <set>
1260
127$$$$