0  B6R0.6  CCCCCCN C08306 [0,0,0,0,0,0|2,0,1]=3
1  B6R0.6  CCCCOC=O C21713 [0,0,0,0,0,0|1,1,1]=3
2  B6R0.6  CCC\C=C\C=O C08497 [0,0,0,0,0,0|1,1,2]=4
3  B6R0.6  CNCCCC=O C10974 [0,0,0,0,0,0|2,1,1]=4
4  B6R0.6  CNCCCCN C02723 [0,0,0,0,0,0|3,0,1]=4
5  B6R0.6  NCCCCC=O C12455 [0,0,0,0,0,0|2,1,1]=4
6  B6R0.6  NCCCCCN C01672 [0,0,0,0,0,0|3,0,1]=4
7  B5R0.2  C=CCN=C=S C19317 [1,0,0,0,0,0|0,0,2]=3
8  B5R0.2  CCCCCC C11271 [1,0,0,0,0,0|1,0,1]=3
9  B5R0.2  CCCCCO C16834 [1,0,0,0,0,0|0,1,1]=3
10  B5R0.2  CCOCCO C14687 [1,0,0,0,0,0|1,1,1]=4
11  B5R0.2  CSCCCN C03354 [1,0,0,0,0,0|2,0,1]=4
12  B5R0.2  NCCCC=O C00555 [1,0,0,0,0,0|1,1,1]=4
13  B5R0.2  NCCCC=O C02903 [1,0,0,0,0,0|1,1,1]=4
14  B5R0.2  NCCCCN C00134 [1,0,0,0,0,0|2,0,1]=4
15  B5R0.2  NCCCCN C02896 [1,0,0,0,0,0|2,0,1]=4
16  B7R0.1  CCCCCCC=O C14390 [0,1,0,0,0,0|1,1,1]=4
17  B7R0.1  CCCCCCCC C01387 [0,1,0,0,0,0|2,0,1]=4
18  B7R0.1  CCCCOCCO C19355 [0,1,0,0,0,0|1,1,1]=4
19  B7R0.1  CSCCC\C=N\O C17241 [0,1,0,0,0,0|2,1,0]=4
20  B7R0.1  CSCCC\C=N\O C21535 [0,1,0,0,0,0|2,1,0]=4
21  B7R0.4  CC(C)CCOC=O C12293 [0,1,0,0,0,0|1,1,1]=4
22  B7R0.4  CC(C)CCON=O C07457 [0,1,0,0,0,0|2,1,0]=4
23  B7R0.4  CCCCCC(=O)O C01585 [0,1,0,0,0,0|1,1,1]=4
24  B7R0.4  CCCCCC(C)=O C08380 [0,1,0,0,0,0|1,1,1]=4
25  B7R0.4  CCCCOC(C)=O C12304 [0,1,0,0,0,0|1,1,1]=4
26  B7R1.1  O=NN1CCCC1 C19285 [0,0,0,1,0,0|1,1,1]=4
27  B7R1.3  NC1CCCCC1 C00571 [0,0,0,1,0,0|2,0,1]=4
28  B7R1.3  O=C1CCCCC1 C00414 [0,0,0,1,0,0|1,1,1]=4
29  B7R1.3  O=C1CCCCO1 C02240 [0,0,0,1,0,0|1,1,1]=4
30  B7R1.3  OC1CCCCC1 C00854 [0,0,0,1,0,0|1,1,1]=4
31  B4R0.2  CCCC=O C01412 [2,0,0,0,0,0|0,1,1]=4
32  B4R0.2  CCCCO C06142 [2,0,0,0,0,0|0,1,0]=3
33  B4R0.2  CCOCC C13240 [2,0,0,0,0,0|1,0,1]=4
34  B4R0.2  CCSCC C02272 [2,0,0,0,0,0|1,0,1]=4
35  B4R0.2  NCCCN C00986 [2,0,0,0,0,0|1,0,1]=4
36  B4R0.2  OCCCO C02457 [2,0,0,0,0,0|1,1,0]=4
37  B6R0.1  CC[C@H](C)\C=N/O C20312 [1,1,0,0,0,0|0,1,1]=4
38  B6R0.1  CC[C@H](C)\C=N\O C19491 [1,1,0,0,0,0|0,1,1]=4
39  B6R0.4  CC(C)CCC=O C02373 [1,1,0,0,0,0|0,1,1]=4
40  B6R0.4  CC(C)C\C=N\O C17255 [1,1,0,0,0,0|0,1,1]=4
41  B6R0.4  CCCCC(=O)O C00803 [1,1,0,0,0,0|0,1,1]=4
42  B6R0.4  CCCCC(N)=O C01842 [1,1,0,0,0,0|0,1,1]=4
43  B6R1.1  C1=NCCCC1 C06181 [1,0,0,1,0,0|0,0,1]=3
44  B6R1.1  C1CCCCC1 C11249 [1,0,0,1,0,0|1,0,1]=4
45  B6R1.1  C1CCNCC1 C01746 [1,0,0,1,0,0|0,0,2]=4
46  B6R1.2  CC1=NCCC1 C20808 [1,0,0,1,0,0|1,0,1]=4
47  B6R1.2  C[C@@H]1CCCN1 C20809 [1,0,0,1,0,0|1,0,1]=4
48  B6R1.2  O=C1CCCC1 C00557 [1,0,0,1,0,0|0,1,1]=4
49  B6R1.2  OC1CCCC1 C02020 [1,0,0,1,0,0|0,1,1]=4