0  B4R0.1  CC(=O)CN 4035253 [0,1,0,0,0,0|1,0,0]=2
1  B4R0.1  CC(C)NN 4032832 [0,1,0,0,0,0|2,0,0]=3
2  B4R0.1  CCC(=N)N 4012617 [0,1,0,0,0,0|3,0,0]=4
3  B4R0.1  CCC(=N)N 4090083 [0,1,0,0,0,0|3,0,0]=4
4  B4R0.1  N=C(N)CF 4028912 [0,1,0,0,0,0|3,0,0]=4
5  B4R0.3  NS(=O)(=O)Cl 4036618 [0,1,0,0,0,0|2,0,1]=4
6  B5R0.1  C#CCC(=O)O 4035749 [0,2,0,0,0,0|2,0,0]=4
7  B5R0.1  C=C(C)CNN 4045392 [0,2,0,0,0,0|2,0,0]=4
8  B5R0.1  CC(C)N=[N+]=[N-] 4041293 [0,2,0,0,0,0|2,0,0]=4
9  B5R0.1  CC(N)CCO 4027026 [0,2,0,0,0,0|2,0,0]=4
10  B5R0.1  CC(O)CNN 4028962 [0,2,0,0,0,0|1,0,1]=4
11  B5R0.1  CNCC(C)O 4035012 [0,2,0,0,0,0|1,0,1]=4
12  B5R0.1  NC(=O)CCO 4070037 [0,2,0,0,0,0|2,0,0]=4
13  B5R0.1  NCCC(N)=O 4034723 [0,2,0,0,0,0|2,0,0]=4
14  B5R0.3  CC(CN)CO 4036254 [0,2,0,0,0,0|1,0,1]=4
15  B5R0.3  CC[C@@H](O)CN 4036900 [0,2,0,0,0,0|1,0,1]=4
16  B5R0.3  CNC(=O)CBr 4023689 [0,2,0,0,0,0|1,0,0]=3
17  B5R0.3  CNC(=O)CCl 4031514 [0,2,0,0,0,0|1,0,0]=3
18  B5R0.3  CNC(=O)CN 4030580 [0,2,0,0,0,0|1,0,0]=3
19  B5R0.3  CNC(=O)CO 4032781 [0,2,0,0,0,0|1,0,0]=3
20  B5R0.3  CNC(C)CO 4028640 [0,2,0,0,0,0|1,0,1]=4
21  B5R0.3  COC(C)C#N 4045776 [0,2,0,0,0,0|2,0,0]=4
22  B5R0.3  COC(C)CN 4031070 [0,2,0,0,0,0|1,0,1]=4
23  B5R0.3  COC(C)CO 4045600 [0,2,0,0,0,0|1,0,1]=4
24  B5R0.5  CC(C)C(=N)N 4034735 [0,2,0,0,0,0|2,0,0]=4
25  B5R0.5  CC(C)C(=N)N 4088764 [0,2,0,0,0,0|2,0,0]=4
26  B5R1.2  CC1CCN1 4040985 [0,1,0,1,0,0|2,0,0]=4
27  B5R1.2  FC1CNC1 4108317 [0,1,0,1,0,0|2,0,0]=4
28  B5R1.2  OC1CCC1 4034696 [0,1,0,1,0,0|1,0,1]=4
29  B5R1.2  OC1CNC1 4002252 [0,1,0,1,0,0|1,0,1]=4
30  B5R1.2  OC1CSC1 4042896 [0,1,0,1,0,0|1,0,1]=4
31  B5R1.5  CC1(N)CC1 4021534 [0,1,0,1,0,0|2,0,0]=4