0  B3R0.2  CS(=O)[O-] BB12-1172 [0,0,0,0,0,0|1,0,0]=1
1  B3R0.2  N[13C](N)=O BB54-5648 [0,0,0,0,0,0|3,0,0]=3
2  B2R0.1  F[Xe]F BB54-5276 [1,0,0,0,0,0|3,0,0]=4
3  B4R0.1  C#CC(=C)C BB54-0485 [0,1,0,0,0,0|2,0,1]=4
4  B4R0.1  CC(C)NN BB54-0473 [0,1,0,0,0,0|2,0,0]=3
5  B4R0.1  CC(N)CO BB01-7506 [0,1,0,0,0,0|2,0,0]=3
6  B4R0.1  CCC(=N)N BB54-4123 [0,1,0,0,0,0|3,0,0]=4
7  B4R0.1  COC(=S)[S-] BB12-3031 [0,1,0,0,0,0|2,1,0]=4
8  B4R0.1  CSC(=N)N BB01-6974 [0,1,0,0,0,0|3,0,0]=4
9  B4R0.1  C[C@H](N)CO BB20-1224 [0,1,0,0,0,0|2,0,0]=3
10  B4R0.1  C\C(N)=N\O BB53-1937 [0,1,0,0,0,0|2,0,1]=4
11  B4R0.1  NC(=S)CO BB58-2954 [0,1,0,0,0,0|2,1,0]=4
12  B1R0.1  [13CH3]I BB54-5275 [2,0,0,0,0,0|1,0,0]=3
13  B3R0.1  CNOC BB01-7679 [1,1,0,0,0,0|0,1,0]=3
14  B3R0.1  NNC=O BB12-2770 [1,1,0,0,0,0|2,0,0]=4
15  B3R0.1  [C-]#[N+]CC BB56-1802 [1,1,0,0,0,0|1,0,1]=4
16  B5R0.1  C=C(C)CNN BB57-2407 [0,2,0,0,0,0|2,0,0]=4
17  B5R0.1  CC(=O)CC#N BB54-5411 [0,2,0,0,0,0|1,0,0]=3
18  B5R0.1  CC(N)CCO BB57-1076 [0,2,0,0,0,0|2,0,0]=4
19  B5R0.1  CC(O)CNN BB58-3435 [0,2,0,0,0,0|1,0,1]=4
20  B5R0.1  CCOC(C)=N BB12-3674 [0,2,0,0,0,0|2,0,0]=4
21  B5R0.1  CNCC(C)=O BB12-3010 [0,2,0,0,0,0|1,0,0]=3
22  B5R0.1  CNCC(C)O BB12-1288 [0,2,0,0,0,0|1,0,1]=4
23  B5R0.1  CS(=O)CCN BB55-5915 [0,2,0,0,0,0|0,0,0]=2
24  B5R0.1  NC(=O)CCO BB58-1090 [0,2,0,0,0,0|2,0,0]=4
25  B5R0.3  CC(C#N)CCl BB01-7479 [0,2,0,0,0,0|2,0,0]=4
26  B5R0.3  CC(CN)CO BB57-2245 [0,2,0,0,0,0|1,0,1]=4
27  B5R0.3  CCC(C)NC BB53-1672 [0,2,0,0,0,0|2,0,0]=4
28  B5R0.3  CNC(=O)CBr BB55-6801 [0,2,0,0,0,0|1,0,0]=3
29  B5R0.3  CNC(=O)CO BB58-0349 [0,2,0,0,0,0|1,0,0]=3
30  B5R0.3  CNC(C)CO BB12-1570 [0,2,0,0,0,0|1,0,1]=4
31  B5R0.3  COC(C)C#N BB57-3722 [0,2,0,0,0,0|2,0,0]=4
32  B5R0.3  COC(C)CN BB55-4647 [0,2,0,0,0,0|1,0,1]=4
33  B5R0.3  NNC(=O)CO BB12-3095 [0,2,0,0,0,0|2,0,0]=4
34  B5R0.3  NNC(=O)CS BB58-4379 [0,2,0,0,0,0|2,0,0]=4
35  B5R0.3  [C-]#[N+]C(C)CC BB56-1204 [0,2,0,0,0,0|2,0,0]=4
36  B5R0.4  C#CC(C)(C)N BB54-0057 [0,2,0,0,0,0|2,0,0]=4
37  B5R0.4  CC(C)(C)NN BB01-7814 [0,2,0,0,0,0|2,0,0]=4
38  B5R0.4  CC(C)(N)C#N BB55-6333 [0,2,0,0,0,0|2,0,0]=4
39  B5R0.4  CC(C)(N)CO BB17-0635 [0,2,0,0,0,0|1,0,1]=4
40  B5R0.4  CC(C)(O)CBr BB58-5360 [0,2,0,0,0,0|1,0,1]=4
41  B5R0.4  NS(=O)(=O)CCl BB58-0348 [0,2,0,0,0,0|1,0,1]=4
42  B5R0.5  CC(C)C(=N)N BB20-1445 [0,2,0,0,0,0|2,0,0]=4
43  B5R0.5  CC(Cl)C(N)=O BB12-1307 [0,2,0,0,0,0|2,0,0]=4
44  B5R0.5  CN(C)C(=N)N BB58-1392 [0,2,0,0,0,0|2,0,0]=4
45  B5R1.2  O=C1CNC1 BB20-3400 [0,1,0,1,0,0|1,0,0]=3
46  B5R1.3  FCC1CO1 BB57-4956 [0,1,0,1,0,0|1,0,1]=4
47  B5R1.5  CC1(N)CC1 BB58-0060 [0,1,0,1,0,0|2,0,0]=4