0  B5R0.1  CC(=O)CCBr BB31-4479 [0,0,0,0,0,0|2,0,1]=3
1  B5R0.1  CC(O)CCBr BB32-3029 [0,0,0,0,0,0|2,0,2]=4
2  B5R0.1  O=C(O)CCF BB32-2513 [0,0,0,0,0,0|3,0,1]=4
3  B5R0.1  O=C(O)\C=C\Br BB31-5400 [0,0,0,0,0,0|3,0,1]=4
4  B4R0.2  C=CCCI BB31-6880 [1,0,0,0,0,0|1,0,2]=4
5  B6R0.1  CCCC(=O)CCl BB31-4027 [0,1,0,0,0,0|2,0,1]=4
6  B6R0.1  C[C@@H](CO)CCN BB31-5417 [0,1,0,0,0,0|1,0,2]=4
7  B6R0.3  CN(C)C(=O)CI BB31-8712 [0,1,0,0,0,0|2,0,0]=3
8  B6R0.4  CC(=O)CCCBr BB31-6000 [0,1,0,0,0,0|2,0,1]=4
9  B6R0.4  COCOC(C)=O BB32-2824 [0,1,0,0,0,0|2,1,0]=4
10  B6R0.5  CC(C)(C)CCN BB31-4614 [0,1,0,0,0,0|1,0,2]=4
11  B6R0.5  CC(C)(C)\C=N\O BB32-2942 [0,1,0,0,0,0|1,1,1]=4
12  B6R1.2  BrC1CCSC1 BB52-7755 [0,0,0,1,0,0|1,0,2]=4
13  B6R1.2  CC1=CNN=C1 BB32-2485 [0,0,0,1,0,0|2,0,1]=4
14  B6R1.2  C[C@@H]1CCNC1 BB31-4239 [0,0,0,1,0,0|1,0,2]=4
15  B6R1.2  C[C@H]1CCNC1 BB31-5082 [0,0,0,1,0,0|1,0,2]=4
16  B6R1.2  NC1CCSC1 BB52-7752 [0,0,0,1,0,0|1,0,2]=4
17  B6R1.2  OC1CCSC1 BB52-7751 [0,0,0,1,0,0|1,0,2]=4
18  B6R1.3  BrCCC1CC1 BB31-5305 [0,0,0,1,0,0|1,0,2]=4
19  B6R1.3  CCNC1CC1 BB31-5032 [0,0,0,1,0,0|2,0,1]=4
20  B6R1.3  ICCC1CC1 BB32-1715 [0,0,0,1,0,0|1,0,2]=4
21  B6R1.5  CN1CC(N)C1 BB31-5035 [0,0,0,1,0,0|2,0,1]=4
22  B6R1.5  CN1CC(O)C1 BB31-5794 [0,0,0,1,0,0|1,1,1]=4
23  B6R1.5  O=C1CC(O)C1 BB31-5120 [0,0,0,1,0,0|1,1,1]=4
24  B6R1.10  CC1(C)CCN1 BB31-8862 [0,0,0,1,0,0|1,0,2]=4
25  B5R0.3  CC(CO)CBr BB31-7772 [1,1,0,0,0,0|0,1,1]=4
26  B5R0.3  CCC(=O)CN BB31-8248 [1,1,0,0,0,0|1,0,1]=4
27  B5R0.3  CO[C@@H](C)CO BB31-0453 [1,1,0,0,0,0|0,1,1]=4
28  B5R0.4  CC(C)(F)CN BB31-5316 [1,1,0,0,0,0|1,0,1]=4
29  B5R0.5  CC(=O)C(N)=O BB32-3571 [1,1,0,0,0,0|1,1,0]=4
30  B7R0.14  CC(C)(C)C(=O)CO BB32-2137 [0,2,0,0,0,0|0,1,1]=4
31  B5R1.2  CC1CCN1 BB31-0642 [1,0,0,1,0,0|1,0,1]=4
32  B5R1.2  NC1CSC1 BB31-1853 [1,0,0,1,0,0|1,0,1]=4
33  B7R1.1  BrCC1=CCCC1 BB32-3867 [0,1,0,1,0,0|1,0,0]=3
34  B7R1.2  CC1=CSC(Br)=C1 BB32-2597 [0,1,0,1,0,0|0,0,2]=4
35  B7R1.2  CC1=NNC(S)=C1 BB52-7305 [0,1,0,1,0,0|1,0,1]=4
36  B7R1.3  CC1=CCNCC1 BB31-4858 [0,1,0,1,0,0|1,0,0]=3