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/data/set2/dhfr00019.sdf

http://github.com/rajarshi/cdkr
Unknown | 110 lines | 110 code | 0 blank | 0 comment | 0 complexity | 9ecd4c8d7926372cfb302b738e0926f3 MD5 | raw file
  11-372955
  2  Cerius2 12180216023D 1   1.00000                          
  3 Structure written by MMmdl.
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 97M  END
 98>  <Name>
 991-372955
100>  <Family>
101A
102>  <PC_uM>
10312.000000
104>  <TG_uM>
10567.600000
106>  <RL_uM>
1070.940000
108>  <set>
1092
110$$$$