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/data/set2/dhfr00007.sdf

http://github.com/rajarshi/cdkr
Unknown | 96 lines | 96 code | 0 blank | 0 comment | 0 complexity | e6aa3b64c9f10bfd87e2c395fc63cc66 MD5 | raw file
 11-125358
 2  Cerius2 12180216023D 1   1.00000                          
 3 Structure written by MMmdl.
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83M  END
84>  <Name>
851-125358
86>  <Family>
87A
88>  <PC_uM>
8913.5
90>  <TG_uM>
910.11
92>  <RL_uM>
931.28
94>  <set>
951
96$$$$