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/data/set2/dhfr00002.sdf

http://github.com/rajarshi/cdkr
Unknown | 79 lines | 79 code | 0 blank | 0 comment | 0 complexity | d0ff55f261f58249b8cea20f0c52949d MD5 | raw file
 11-3062
 2  Cerius2 12180216023D 1   1.00000                          
 3 Structure written by MMmdl.
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66M  END
67>  <Name>
681-3062
69>  <Family>
70A
71>  <PC_uM>
721.08
73>  <TG_uM>
740.094
75>  <RL_uM>
760.19
77>  <set>
780
79$$$$