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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
  1. 1-125358
  2. Cerius2 12180216023D 1 1.00000
  3. Structure written by MMmdl.
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  83. M END
  84. > <Name>
  85. 1-125358
  86. > <Family>
  87. A
  88. > <PC_uM>
  89. 13.5
  90. > <TG_uM>
  91. 0.11
  92. > <RL_uM>
  93. 1.28
  94. > <set>
  95. 1
  96. $$$$