0  B7R0.1  CCCCOCCN BB53-1642 [0,0,0,0,0,0|2,1,1]=4
1  B7R0.1  CCCCSCCN BB57-6671 [0,0,0,0,0,0|2,0,1]=3
2  B7R0.1  CCCCSCCO BB54-1800 [0,0,0,0,0,0|2,0,1]=3
3  B7R0.1  [C-]#[N+]CCCCCC BB56-1203 [0,0,0,0,0,0|3,0,1]=4
4  B6R0.6  C=CCCCC#N BB12-2224 [1,0,0,0,0,0|2,0,1]=4
5  B6R0.6  CCCCCNC BB57-3734 [1,0,0,0,0,0|2,0,1]=4
6  B6R0.6  CCCCCNN BB12-2485 [1,0,0,0,0,0|3,0,0]=4
7  B6R0.6  CCCSCCN BB53-1582 [1,0,0,0,0,0|1,0,1]=3
8  B6R0.6  CCSCCNC BB12-0971 [1,0,0,0,0,0|2,0,1]=4
9  B8R0.4  C=CCCNCCC=C BB58-4950 [0,1,0,0,0,0|2,0,1]=4
10  B8R0.4  C=CCCNCCOC BB58-0794 [0,1,0,0,0,0|2,0,0]=3
11  B8R0.7  CCCCNCC(=O)O BB20-0185 [0,1,0,0,0,0|3,0,0]=4
12  B8R1.5  CC1CNCCC1=O BB58-3122 [0,0,0,1,0,0|3,0,0]=4
13  B8R1.8  CCCC1=CC=CS1 BB05-4767 [0,0,0,1,0,0|1,0,1]=3
14  B8R1.8  CCCN1C=CN=C1 BB12-1504 [0,0,0,1,0,0|3,0,0]=4
15  B8R1.11  CCC1CCCC1=O BB12-2911 [0,0,0,1,0,0|3,0,0]=4
16  B8R1.22  O=C1CCSCCN1 BB57-4185 [0,0,0,1,0,0|3,0,0]=4
17  B5R0.2  C=COCCN BB57-6790 [2,0,0,0,0,0|1,1,0]=4
18  B5R0.2  CCSCCN BB53-1545 [2,0,0,0,0,0|1,0,1]=4
19  B5R0.2  CCSCCO BB54-1799 [2,0,0,0,0,0|1,0,1]=4
20  B5R0.2  CNCCSC BB57-4145 [2,0,0,0,0,0|2,0,0]=4
21  B5R0.2  [C-]#[N+]CCCC BB56-0718 [2,0,0,0,0,0|1,0,1]=4
22  B7R0.4  C=CCCNC(C)C BB58-4949 [1,1,0,0,0,0|2,0,0]=4
23  B7R0.4  C=CCSCC(=O)O BB12-3265 [1,1,0,0,0,0|1,0,1]=4
24  B7R0.4  CCCNCC(=O)O BB20-0186 [1,1,0,0,0,0|2,0,0]=4
25  B7R0.4  CCCOCC(=O)O BB55-7872 [1,1,0,0,0,0|1,1,0]=4
26  B7R0.4  CCCSCC(=O)O BB12-3263 [1,1,0,0,0,0|1,0,0]=3
27  B7R0.4  CCSCCC(=O)O BB12-3270 [1,1,0,0,0,0|2,0,0]=4
28  B7R0.4  NC(=O)CSCCO BB53-1357 [1,1,0,0,0,0|2,0,0]=4
29  B9R0.2  CCCCSCCC(=O)O BB54-0237 [0,2,0,0,0,0|1,0,1]=4
30  B7R1.3  O=C1CSCCN1 BB20-1255 [1,0,0,1,0,0|2,0,0]=4
31  B9R1.12  CNCCC1=CC=CS1 BB55-8320 [0,1,0,1,0,0|1,0,1]=4
32  B9R1.15  CCC1SCCNC1=O BB57-3971 [0,1,0,1,0,0|2,0,0]=4
33  B9R1.85  O=C(O)CSCC1CC1 BB12-3262 [0,1,0,1,0,0|2,0,0]=4