0  B6R1.1  C1CCNCC1 YMDB01338 [0,0,0,0,0,0|1,0,0]=1
1  B7R1.3  CC1SCCSS1 YMDB01497 [0,1,0,0,0,0|3,0,0]=4
2  B7R1.3  OC1CCCCC1 YMDB01398 [0,1,0,0,0,0|0,0,0]=1
3  B5R0.2  CCCCCO YMDB01470 [0,0,1,0,0,0|1,0,0]=2
4  B5R0.2  CCSSCC YMDB01671 [0,0,1,0,0,0|2,0,0]=3
5  B5R0.2  CSCCC=O YMDB01466 [0,0,1,0,0,0|2,0,1]=4
6  B5R0.2  CSCCCO YMDB01427 [0,0,1,0,0,0|2,0,0]=3
7  B5R0.2  NCCCC=O YMDB00587 [0,0,1,0,0,0|2,0,1]=4
8  B5R0.2  NCCCCN YMDB00132 [0,0,1,0,0,0|2,0,0]=3
9  B5R1.1  C1CSCN1 YMDB01400 [0,0,0,0,1,0|2,0,0]=3
10  B4R0.2  CCCCO YMDB01386 [1,0,1,0,0,0|1,0,0]=3
11  B4R0.2  CCSCC YMDB01672 [1,0,1,0,0,0|1,0,0]=3
12  B4R0.2  CSCCO YMDB01590 [1,0,1,0,0,0|2,0,0]=4
13  B4R0.2  CSCSC YMDB01436 [1,0,1,0,0,0|2,0,0]=4
14  B4R0.2  NCCCN YMDB00042 [1,0,1,0,0,0|2,0,0]=4
15  B4R0.2  OCCCO YMDB02312 [1,0,1,0,0,0|2,0,0]=4
16  B6R0.1  CCC(C)CCO YMDB01428 [0,1,1,0,0,0|1,0,0]=3
17  B6R0.1  CCCC(=O)OC YMDB01743 [0,1,1,0,0,0|1,0,1]=4
18  B6R0.1  CCOC(=O)CC YMDB01331 [0,1,1,0,0,0|1,0,1]=4
19  B6R0.4  CC(C)CCCO YMDB01348 [0,1,1,0,0,0|1,0,0]=3
20  B6R0.4  CCCCC(=O)O YMDB01484 [0,1,1,0,0,0|1,0,1]=4
21  B6R0.4  CCCCC(C)O YMDB01793 [0,1,1,0,0,0|0,0,0]=2
22  B6R0.4  CCCOC(C)=O YMDB01390 [0,1,1,0,0,0|1,0,1]=4
23  B6R0.6  CCCCCC=O YMDB01759 [0,1,1,0,0,0|0,0,1]=3
24  B6R0.6  CCCCCCO YMDB01473 [0,1,1,0,0,0|0,0,0]=2
25  B6R0.6  CCC\C=C\CO YMDB01676 [0,1,1,0,0,0|0,0,2]=4
26  B6R0.6  CCOCCCO YMDB01423 [0,1,1,0,0,0|1,0,0]=3
27  B6R0.6  CC\C=C/CCO YMDB01420 [0,1,1,0,0,0|0,0,2]=4
28  B6R0.6  CC\C=C\CCO YMDB01421 [0,1,1,0,0,0|0,0,2]=4
29  B6R0.6  NCCCCCN YMDB02303 [0,1,1,0,0,0|1,0,0]=3
30  B6R1.2  O=C1CCCO1 YMDB01418 [0,1,0,0,1,0|1,0,1]=4