File: urea_space_enum.smi

package info (click to toggle)
rdkit 202503.6-4
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid
  • size: 222,000 kB
  • sloc: cpp: 411,111; python: 78,482; ansic: 26,181; java: 8,285; javascript: 4,404; sql: 2,393; yacc: 1,626; lex: 1,267; cs: 1,090; makefile: 581; xml: 229; fortran: 183; sh: 121
file content (12 lines) | stat: -rw-r--r-- 748 bytes parent folder | download | duplicates (2)
1
2
3
4
5
6
7
8
9
10
11
12
O=C(NCc1ccsc1NC(=O)c1ccc(OC(F)F)cn1)NC1COC1 urea-3_0_0_0
O=C(NCc1ccsc1NC(=O)c1nccnc1F)NC1COC1 urea-3_0_0_1
N#CCc1cnccc1C(=O)Nc1sccc1CNC(=O)NC1COC1 urea-3_0_0_2
C[C@@H]1CC(NC(=O)NC2COC2)CN(C(=O)c2ccc(OC(F)F)cn2)C1 urea-3_0_1_0
C[C@@H]1CC(NC(=O)NC2COC2)CN(C(=O)c2nccnc2F)C1 urea-3_0_1_1
C[C@@H]1CC(NC(=O)NC2COC2)CN(C(=O)c2ccncc2CC#N)C1 urea-3_0_1_2
O=C(NCc1ccsc1NC(=O)c1ccc(OC(F)F)cn1)Nc1ccc(Cl)c(O)c1 urea-3_1_0_0
O=C(NCc1ccsc1NC(=O)c1nccnc1F)Nc1ccc(Cl)c(O)c1 urea-3_1_0_1
N#CCc1cnccc1C(=O)Nc1sccc1CNC(=O)Nc1ccc(Cl)c(O)c1 urea-3_1_0_2
C[C@@H]1CC(NC(=O)Nc2ccc(Cl)c(O)c2)CN(C(=O)c2ccc(OC(F)F)cn2)C1 urea-3_1_1_0
C[C@@H]1CC(NC(=O)Nc2ccc(Cl)c(O)c2)CN(C(=O)c2nccnc2F)C1 urea-3_1_1_1
C[C@@H]1CC(NC(=O)Nc2ccc(Cl)c(O)c2)CN(C(=O)c2ccncc2CC#N)C1 urea-3_1_1_2