0  B5R0.3  CCC(=O)NN B015434 [0,0,0,0,0,0|2,0,2]=4
1  B5R0.3  CC\C(N)=N\O B030359 [0,0,0,0,0,0|3,0,1]=4
2  B4R0.1  NCC(F)F B028561 [1,0,0,0,0,0|3,0,0]=4
3  B4R0.1  OCC(F)F B019710 [1,0,0,0,0,0|3,0,0]=4
4  B6R0.1  CCC(C)N=C=S B016332 [0,1,0,0,0,0|2,0,1]=4
5  B6R0.1  CCNC(C)CO B039551 [0,1,0,0,0,0|2,0,1]=4
6  B6R0.1  CNC(C)CCO B039563 [0,1,0,0,0,0|2,0,1]=4
7  B6R0.8  C#CC(C)(N)CC B048725 [0,1,0,0,0,0|1,0,2]=4
8  B6R0.8  C#CC(C)(N)CC B049751 [0,1,0,0,0,0|1,0,2]=4
9  B6R0.8  C#CC(C)(O)CC B048853 [0,1,0,0,0,0|0,0,2]=3
10  B5R0.1  CC(N)CCO B039558 [1,1,0,0,0,0|1,0,1]=4
11  B5R0.2  CCSCCO B049702 [1,1,0,0,0,0|1,0,1]=4
12  B7R0.11  C#CC(C)(O)CCC B049584 [0,2,0,0,0,0|0,0,2]=4
13  B7R1.1  CCN1C=CC=N1 B006762 [0,1,0,1,0,0|2,0,0]=4
14  B7R1.1  CCN1C=CN=C1 B039755 [0,1,0,1,0,0|2,0,0]=4
15  B7R1.1  CCN1C=NC=N1 B051895 [0,1,0,1,0,0|2,0,0]=4
16  B7R1.1  ClCC1=CC=NO1 B049837 [0,1,0,1,0,0|1,0,1]=4
17  B7R1.1  ClCC1=NOC=C1 B049730 [0,1,0,1,0,0|1,0,1]=4
18  B7R1.4  N[C@@H]1CSC[C@H]1O B050646 [0,1,0,1,0,0|1,0,1]=4
19  B7R1.14  O=S1(=O)C=CCC1 B050519 [0,1,0,1,0,0|1,0,1]=4