0  B4R0.1  C#CC(=C)C B048766 [0,0,0,0,0,0|1,0,2]=3
1  B4R0.1  CSC(=N)N B022644 [0,0,0,0,0,0|3,0,0]=3
2  B4R0.1  NCC(F)F B028561 [0,0,0,0,0,0|3,0,1]=4
3  B4R0.1  OCC(F)F B019710 [0,0,0,0,0,0|3,0,1]=4
4  B5R0.1  C#CCC(=O)O B050921 [0,1,0,0,0,0|1,0,1]=3
5  B5R0.1  CC(N)CCO B039558 [0,1,0,0,0,0|1,0,1]=3
6  B5R0.3  CCC(=O)NN B015434 [0,1,0,0,0,0|1,0,0]=2
7  B5R0.3  CC\C(N)=N\O B030359 [0,1,0,0,0,0|1,0,1]=3
8  B5R0.5  CC(=O)C(F)F B016253 [0,1,0,0,0,0|1,0,0]=2
9  B5R1.3  NCC1CC1 B041362 [0,0,0,1,0,0|2,0,1]=4
10  B6R0.1  C#CC(=O)OCC B051748 [0,2,0,0,0,0|0,0,1]=3
11  B6R0.1  CCC(C)N=C=S B016332 [0,2,0,0,0,0|0,1,1]=4
12  B6R0.1  CCNC(C)CO B039551 [0,2,0,0,0,0|0,0,2]=4
13  B6R0.1  CNC(C)CCO B039563 [0,2,0,0,0,0|1,0,1]=4
14  B6R0.1  COCC(=O)NN B015437 [0,2,0,0,0,0|1,0,0]=3
15  B6R0.3  CC(CN)N(C)C B039581 [0,2,0,0,0,0|2,0,0]=4
16  B6R0.3  N#CC(N)C(N)=O B048693 [0,2,0,0,0,0|1,0,1]=4
17  B6R0.8  C#CC(C)(N)CC B048725 [0,2,0,0,0,0|1,0,1]=4
18  B6R0.8  C#CC(C)(N)CC B049751 [0,2,0,0,0,0|1,0,1]=4
19  B6R0.8  C#CC(C)(O)CC B048853 [0,2,0,0,0,0|0,0,2]=4
20  B6R0.7  CC(=O)C(C)(C)N B049721 [0,2,0,0,0,0|0,0,0]=2
21  B6R1.11  CC(N)C1CC1 B039284 [0,1,0,1,0,0|1,0,1]=4