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/data/set2/dhfr00033.sdf

http://github.com/rajarshi/cdkr
Unknown | 140 lines | 140 code | 0 blank | 0 comment | 0 complexity | 4a28f9b43365d99db3056e735d88b172 MD5 | raw file
  12-24b
  2  Cerius2 12180216023D 1   1.00000                          
  3 Structure written by MMmdl.
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127M  END
128>  <Name>
1292-24b
130>  <Family>
131A
132>  <PC_uM>
1331.070000
134>  <TG_uM>
1350.020000
136>  <RL_uM>
1370.090000
138>  <set>
1392
140$$$$