0  B3R0.1  CNOC BB01-7679 [0,0,0,0,0,0|3,0,1]=4
1  B3R0.1  NNC=O BB12-2770 [0,0,0,0,0,0|2,0,0]=2
2  B3R0.1  N\C=N/O BB12-3512 [0,0,0,0,0,0|2,0,1]=3
3  B3R0.1  [C-]#[N+]CC BB56-1802 [0,0,0,0,0,0|2,0,2]=4
4  B2R0.1  F[Xe]F BB54-5276 [1,0,0,0,0,0|3,0,0]=4
5  B4R0.1  C#CC(=C)C BB54-0485 [0,1,0,0,0,0|1,0,1]=3
6  B4R0.1  CCC(=N)N BB54-4123 [0,1,0,0,0,0|1,0,2]=4
7  B4R0.1  COC(=S)[S-] BB12-3031 [0,1,0,0,0,0|1,1,1]=4
8  B4R0.1  CSC(=N)N BB01-6974 [0,1,0,0,0,0|2,0,1]=4
9  B4R0.1  C\C(N)=N\O BB53-1937 [0,1,0,0,0,0|1,0,2]=4
10  B4R0.1  NC(=S)CO BB58-2954 [0,1,0,0,0,0|1,0,2]=4
11  B4R0.1  NC(N)=NO BB57-2413 [0,1,0,0,0,0|2,0,1]=4
12  B1R0.1  [13CH3]I BB54-5275 [2,0,0,0,0,0|1,0,1]=4
13  B3R0.2  CS(=O)[O-] BB12-1172 [1,1,0,0,0,0|1,0,1]=4
14  B3R0.2  N[13C](N)=O BB54-5648 [1,1,0,0,0,0|1,0,0]=3
15  B5R0.1  C=C(C)CNN BB57-2407 [0,2,0,0,0,0|1,0,1]=4
16  B5R0.1  CC(=O)CC#N BB54-5411 [0,2,0,0,0,0|0,0,2]=4
17  B5R0.1  CNCC(C)=O BB12-3010 [0,2,0,0,0,0|0,0,2]=4
18  B5R0.1  NC(=O)CCO BB58-1090 [0,2,0,0,0,0|0,0,2]=4
19  B5R0.3  CNC(=O)CBr BB55-6801 [0,2,0,0,0,0|1,0,1]=4
20  B5R0.3  CNC(=O)CO BB58-0349 [0,2,0,0,0,0|1,0,1]=4
21  B5R0.3  NNC(=O)CO BB12-3095 [0,2,0,0,0,0|1,0,1]=4
22  B5R0.3  NNC(=O)CS BB58-4379 [0,2,0,0,0,0|1,0,1]=4
23  B5R0.5  CC(Cl)C(N)=O BB12-1307 [0,2,0,0,0,0|0,0,2]=4
24  B5R0.2  C=COCCN BB57-6790 [0,2,0,0,0,0|1,0,1]=4
25  B5R0.2  O=CNNC=O BB12-1708 [0,2,0,0,0,0|1,0,0]=3
26  B5R1.2  O=C1CNC1 BB20-3400 [0,1,0,1,0,0|0,0,2]=4
27  B5R1.1  C1=CSN=C1 BB58-1903 [0,1,0,1,0,0|0,1,0]=3