0  B3R0.1  CNOC BB01-7679 [0,0,0,0,0,0|1,1,0]=2
1  B3R0.1  NNC=O BB12-2770 [0,0,0,0,0,0|4,0,0]=4
2  B3R0.1  N\C=N/O BB12-3512 [0,0,0,0,0,0|4,0,0]=4
3  B3R0.1  [C-]#[N+]CC BB56-1802 [0,0,0,0,0,0|2,0,1]=3
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|2,0,1]=4
6  B4R0.1  CC(C)NN BB54-0473 [0,1,0,0,0,0|3,0,0]=4
7  B4R0.1  CC(N)CO BB01-7506 [0,1,0,0,0,0|3,0,0]=4
8  B4R0.1  CCC(=N)N BB54-4123 [0,1,0,0,0,0|3,0,0]=4
9  B4R0.1  COC(=S)[S-] BB12-3031 [0,1,0,0,0,0|2,1,0]=4
10  B4R0.1  CSC(=N)N BB01-6974 [0,1,0,0,0,0|2,0,0]=3
11  B4R0.1  C[C@H](N)CO BB20-1224 [0,1,0,0,0,0|3,0,0]=4
12  B4R0.1  C\C(N)=N\O BB53-1937 [0,1,0,0,0,0|3,0,0]=4
13  B4R0.2  CCCNN BB58-2805 [0,1,0,0,0,0|3,0,0]=4
14  B4R0.2  CNCCCl BB57-4776 [0,1,0,0,0,0|2,0,0]=3
15  B4R0.2  CNCCI BB57-4692 [0,1,0,0,0,0|2,0,0]=3
16  B4R0.2  CSCCCl BB53-1396 [0,1,0,0,0,0|1,0,0]=2
17  B4R0.2  CSCCN BB12-0970 [0,1,0,0,0,0|1,0,0]=2
18  B1R0.1  [13CH3]I BB54-5275 [2,0,0,0,0,0|1,0,0]=3
19  B3R0.2  CS(=O)[O-] BB12-1172 [1,1,0,0,0,0|0,1,1]=4
20  B5R0.1  CC(N)CCO BB57-1076 [0,2,0,0,0,0|2,0,0]=4
21  B5R0.1  CCOC(C)=N BB12-3674 [0,2,0,0,0,0|1,1,0]=4
22  B5R0.1  CNCC(C)=O BB12-3010 [0,2,0,0,0,0|2,0,0]=4
23  B5R0.1  CNCC(C)O BB12-1288 [0,2,0,0,0,0|2,0,0]=4
24  B5R0.1  CS(=O)CCN BB55-5915 [0,2,0,0,0,0|1,0,1]=4
25  B5R0.3  CCC(C)NC BB53-1672 [0,2,0,0,0,0|2,0,0]=4
26  B5R0.3  CNC(=O)CBr BB55-6801 [0,2,0,0,0,0|2,0,0]=4
27  B5R0.3  CNC(=O)CO BB58-0349 [0,2,0,0,0,0|2,0,0]=4
28  B5R0.3  CNC(C)CO BB12-1570 [0,2,0,0,0,0|2,0,0]=4
29  B5R0.3  COC(C)C#N BB57-3722 [0,2,0,0,0,0|1,1,0]=4
30  B5R0.3  COC(C)CN BB55-4647 [0,2,0,0,0,0|1,1,0]=4
31  B5R0.3  [C-]#[N+]C(C)CC BB56-1204 [0,2,0,0,0,0|2,0,0]=4
32  B5R0.2  CCC#CCO BB58-4730 [0,2,0,0,0,0|2,0,0]=4
33  B5R0.2  CCSCCN BB53-1545 [0,2,0,0,0,0|1,0,0]=3
34  B5R0.2  CCSCCO BB54-1799 [0,2,0,0,0,0|1,0,0]=3
35  B5R0.2  CNCCSC BB57-4145 [0,2,0,0,0,0|1,0,0]=3
36  B5R0.2  COCCNN BB58-0266 [0,2,0,0,0,0|1,1,0]=4
37  B5R0.2  CSCCC#N BB12-3714 [0,2,0,0,0,0|1,0,0]=3
38  B5R0.2  OCCCCCl BB54-0721 [0,2,0,0,0,0|2,0,0]=4
39  B5R0.2  [C-]#[N+]CCCC BB56-0718 [0,2,0,0,0,0|2,0,0]=4
40  B5R0.2  [C-]#[N+]CCOC BB56-1837 [0,2,0,0,0,0|1,1,0]=4
41  B5R1.3  FCC1CO1 BB57-4956 [0,1,0,1,0,0|1,1,0]=4
42  B5R1.5  CC1(N)CC1 BB58-0060 [0,1,0,1,0,0|2,0,0]=4
43  B5R1.1  C1CSCN1 BB57-3983 [0,1,0,1,0,0|1,0,0]=3