File: nonProprietary.mol.expected.cxsmi

package info (click to toggle)
rdkit 202503.1-5
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid
  • size: 220,160 kB
  • sloc: cpp: 399,240; python: 77,453; ansic: 25,517; java: 8,173; javascript: 4,005; sql: 2,389; yacc: 1,565; lex: 1,263; cs: 1,081; makefile: 580; xml: 229; fortran: 183; sh: 105
file content (1 line) | stat: -rw-r--r-- 342 bytes parent folder | download | duplicates (2)
1
[H]NC(C)C(=O)NC(C)C(=O)NC(C)C(N)=O |(2.7453,0.5608,;0.7182,0.5608,;-1.3632,0.0031,;-1.3632,-0.8218,;-2.0777,0.4156,;-2.0777,1.2406,;-3.9017,-0.0731,;-4.6161,-0.4856,;-4.6161,-1.3106,;-5.3306,-0.0731,;-5.3306,0.7518,;-3.9017,-0.0731,;-4.6161,-0.4856,;-4.6161,-1.3106,;-5.3306,-0.0731,;-7.0052,-0.5216,;-5.3306,0.7518,),,,,Sg:n:4,2,5,3:1:ht:::|