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/data/set2/dhfr00016.sdf

http://github.com/rajarshi/cdkr
Unknown | 82 lines | 82 code | 0 blank | 0 comment | 0 complexity | 4ea37bc4c3ed1544941195c6ba827f7c MD5 | raw file
 11-330463
 2  Cerius2 12180216023D 1   1.00000                          
 3 Structure written by MMmdl.
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68M  CHG  1  18   1
69M  END
70>  <Name>
711-330463
72>  <Family>
73A
74>  <PC_uM>
750.190000
76>  <TG_uM>
770.023000
78>  <RL_uM>
790.032000
80>  <set>
811
82$$$$