0  B7R0.1  CCCNCCOC BB31-6246 [0,0,0,0,0,0|3,0,0]=3
1  B7R0.1  NCCSSCCN BB32-2869 [0,0,0,0,0,0|2,0,0]=2
2  B6R0.6  CNCCCCCl BB31-7841 [1,0,0,0,0,0|3,0,0]=4
3  B6R0.6  NCCNCCN BB31-4178 [1,0,0,0,0,0|3,0,0]=4
4  B6R0.6  OCCNCCCl BB31-4678 [1,0,0,0,0,0|3,0,0]=4
5  B6R0.6  OCCOCCI BB31-1660 [1,0,0,0,0,0|2,1,0]=4
6  B8R0.4  CCCCOCCOC BB31-4759 [0,1,0,0,0,0|1,1,0]=3
7  B8R0.4  COCCOCCCBr BB31-5717 [0,1,0,0,0,0|2,1,0]=4
8  B8R0.4  ClCCCCCCCBr BB31-5515 [0,1,0,0,0,0|3,0,0]=4
9  B8R0.7  CC(C)CCCCCO BB31-3290 [0,1,0,0,0,0|3,0,0]=4
10  B8R0.7  CCCCCC[C@H](C)N BB31-5438 [0,1,0,0,0,0|2,0,0]=3
11  B8R1.2  BrCC1CCCNC1 BB32-0264 [0,0,0,1,0,0|3,0,0]=4
12  B8R1.2  CCC1CCCNC1 BB31-8098 [0,0,0,1,0,0|2,0,0]=3
13  B8R1.2  CC[C@@H]1COCCN1 BB31-8706 [0,0,0,1,0,0|2,1,0]=4
14  B8R1.2  CC[C@@H]1COCCN1 BB32-1053 [0,0,0,1,0,0|2,1,0]=4
15  B8R1.2  CO[C@H]1CCCNC1 BB31-5248 [0,0,0,1,0,0|3,0,0]=4
16  B8R1.2  ICC1CCCCO1 BB32-2266 [0,0,0,1,0,0|2,1,0]=4
17  B8R1.5  C[C@@H]1CNCCN1C BB31-0645 [0,0,0,1,0,0|3,0,0]=4
18  B8R1.5  C[C@@H]1CNCCN1C BB32-3303 [0,0,0,1,0,0|3,0,0]=4
19  B8R1.5  C[C@H]1CNCCN1C BB32-2670 [0,0,0,1,0,0|3,0,0]=4
20  B8R1.8  OCCN1CCCC1 BB53-1084 [0,0,0,1,0,0|3,0,0]=4
21  B8R1.22  CC1CCCCCN1 BB32-1446 [0,0,0,1,0,0|3,0,0]=4
22  B8R1.22  N[C@@H]1CCCCNC1 BB31-1104 [0,0,0,1,0,0|3,0,0]=4
23  B8R1.22  OC1CCCNCC1 BB31-0709 [0,0,0,1,0,0|3,0,0]=4
24  B5R0.2  CCSCCN BB31-5588 [2,0,0,0,0,0|1,0,0]=3
25  B5R0.2  OCCCCI BB32-2029 [2,0,0,0,0,0|2,0,0]=4
26  B9R0.18  CCCCC(N)CCCC BB31-5984 [0,2,0,0,0,0|2,0,0]=4
27  B7R1.1  CC[C@@H]1CCCN1 BB32-2574 [1,0,0,1,0,0|1,0,0]=3
28  B7R1.1  FC[C@@H]1CCCN1 BB31-6796 [1,0,0,1,0,0|2,0,0]=4
29  B7R1.3  C[C@H]1CCCNC1 BB32-0441 [1,0,0,1,0,0|1,0,0]=3
30  B7R1.3  C[C@H]1CNCCO1 BB31-0582 [1,0,0,1,0,0|2,0,0]=4
31  B7R1.3  N[C@@H]1CCCOC1 BB31-1896 [1,0,0,1,0,0|1,1,0]=4
32  B7R1.3  N[C@H]1CCCOC1 BB31-1067 [1,0,0,1,0,0|1,1,0]=4
33  B7R1.3  O[C@@H]1CCCOC1 BB31-0149 [1,0,0,1,0,0|1,1,0]=4
34  B7R1.3  SC1CCCNC1 BB31-1279 [1,0,0,1,0,0|2,0,0]=4
35  B7R1.6  OCCN1CCC1 BB31-7265 [1,0,0,1,0,0|2,0,0]=4
36  B7R1.7  OCCNC1CC1 BB32-1964 [1,0,0,1,0,0|2,0,0]=4
37  B9R1.2  CCC1CCCC(=O)C1 BB31-8126 [0,1,0,1,0,0|2,0,0]=4
38  B9R1.8  CCOC1CCCNC1 BB31-0717 [0,1,0,1,0,0|2,0,0]=4
39  B9R1.8  NCCC1CCCCC1 BB31-6120 [0,1,0,1,0,0|2,0,0]=4
40  B9R1.12  CNCCN1CCCC1 BB52-8034 [0,1,0,1,0,0|2,0,0]=4
41  B9R1.12  OCCCN1CCCC1 BB52-8038 [0,1,0,1,0,0|2,0,0]=4
42  B9R1.89  COC1CCCNCC1 BB31-2531 [0,1,0,1,0,0|2,0,0]=4
43  B9R2.49  C1CC2CCC1CN2 BB32-3450 [0,0,0,2,0,0|2,0,0]=4
44  B9R2.68  C1CC2CCC(C1)N2 BB31-4852 [0,0,0,2,0,0|2,0,0]=4