0  B5R0.1  C#CCC(=O)O B050921 [0,1,0,0,0,0|0,0,2]=3
1  B5R0.1  CC(N)CCO B039558 [0,1,0,0,0,0|0,0,2]=3
2  B5R0.2  CCSCCO B049702 [0,1,0,0,0,0|0,0,2]=3
3  B5R0.3  CCC(=O)NN B015434 [0,1,0,0,0,0|2,0,1]=4
4  B5R0.3  CC\C(N)=N\O B030359 [0,1,0,0,0,0|1,0,2]=4
5  B5R1.3  NCC1CC1 B041362 [0,0,0,1,0,0|1,0,1]=3
6  B4R0.1  CSC(=N)N B022644 [1,1,0,0,0,0|2,0,0]=4
7  B4R0.1  NCC(F)F B028561 [1,1,0,0,0,0|2,0,0]=4
8  B4R0.1  OCC(F)F B019710 [1,1,0,0,0,0|1,0,1]=4
9  B6R0.1  C#CC(=O)OCC B051748 [0,2,0,0,0,0|1,0,0]=3
10  B6R0.1  CCC(C)N=C=S B016332 [0,2,0,0,0,0|0,1,1]=4
11  B6R0.1  CCNC(C)CO B039551 [0,2,0,0,0,0|0,0,2]=4
12  B6R0.1  CNC(C)CCO B039563 [0,2,0,0,0,0|0,0,2]=4
13  B6R0.1  COCC(=O)NN B015437 [0,2,0,0,0,0|1,0,0]=3
14  B6R0.3  N#CC(N)C(N)=O B048693 [0,2,0,0,0,0|1,0,1]=4
15  B6R0.8  C#CC(C)(N)CC B048725 [0,2,0,0,0,0|1,0,1]=4
16  B6R0.8  C#CC(C)(N)CC B049751 [0,2,0,0,0,0|1,0,1]=4
17  B6R0.8  C#CC(C)(O)CC B048853 [0,2,0,0,0,0|1,0,1]=4
18  B6R1.11  CC(N)C1CC1 B039284 [0,1,0,1,0,0|1,0,1]=4