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/data/set2/dhfr00031.sdf

http://github.com/rajarshi/cdkr
Unknown | 132 lines | 132 code | 0 blank | 0 comment | 0 complexity | a8264b8524abb989adcd3e025810aec4 MD5 | raw file
  12-23b
  2  Cerius2 12180216023D 1   1.00000                          
  3 Structure written by MMmdl.
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119M  END
120>  <Name>
1212-23b
122>  <Family>
123A
124>  <PC_uM>
1251.300000
126>  <TG_uM>
1270.080000
128>  <RL_uM>
1290.990000
130>  <set>
1311
132$$$$