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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
  1. 1-330463
  2. Cerius2 12180216023D 1 1.00000
  3. Structure written by MMmdl.
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  68. M CHG 1 18 1
  69. M END
  70. > <Name>
  71. 1-330463
  72. > <Family>
  73. A
  74. > <PC_uM>
  75. 0.190000
  76. > <TG_uM>
  77. 0.023000
  78. > <RL_uM>
  79. 0.032000
  80. > <set>
  81. 1
  82. $$$$