0  B3R0.1  C#CCO YMDB01377 [0,0,1,0,0,0|0,0,2]=3
1  B3R0.1  CCC=O YMDB00911 [0,0,1,0,0,0|0,0,2]=3
2  B3R0.1  CCCO YMDB01395 [0,0,1,0,0,0|0,0,0]=1
3  B3R0.1  NCC=O YMDB00771 [0,0,1,0,0,0|1,0,2]=4
4  B3R0.1  NCCO YMDB00009 [0,0,1,0,0,0|1,0,0]=2
5  B3R0.1  O=CCO YMDB00343 [0,0,1,0,0,0|1,0,1]=3
6  B3R0.1  OCCO YMDB01564 [0,0,1,0,0,0|1,0,0]=2
7  B3R0.2  CC(=O)O YMDB00056 [0,0,1,0,0,0|1,0,1]=3
8  B3R0.2  CC(C)O YMDB01718 [0,0,1,0,0,0|0,0,0]=1
9  B3R0.2  CC(N)=O YMDB01563 [0,0,1,0,0,0|1,0,2]=4
10  B3R0.2  O=C(O)O YMDB00382 [0,0,1,0,0,0|2,0,1]=4
11  B2R0.1  CC=O YMDB00022 [1,0,1,0,0,0|0,0,2]=4
12  B2R0.1  CCO YMDB00883 [1,0,1,0,0,0|0,0,0]=2
13  B2R0.1  CCS YMDB01683 [1,0,1,0,0,0|0,1,0]=3
14  B2R0.1  CSC YMDB01674 [1,0,1,0,0,0|0,1,0]=3
15  B2R0.1  O=CO YMDB00385 [1,0,1,0,0,0|1,0,1]=4
16  B4R0.1  CC(=O)CN YMDB00892 [0,1,1,0,0,0|1,0,1]=4
17  B4R0.1  CC(C)C=O YMDB00482 [0,1,1,0,0,0|0,0,2]=4
18  B4R0.1  CC(C)CO YMDB00573 [0,1,1,0,0,0|0,0,0]=2
19  B4R0.1  CC(O)CO YMDB01405 [0,1,1,0,0,0|0,0,0]=2
20  B4R0.1  CCC(=O)O YMDB00857 [0,1,1,0,0,0|0,0,1]=3
21  B4R0.1  C[C@@H](O)C=O YMDB00111 [0,1,1,0,0,0|0,0,2]=4
22  B4R0.1  C[C@H](O)C=O YMDB00167 [0,1,1,0,0,0|0,0,2]=4
23  B4R0.1  NCC(=O)O YMDB00016 [0,1,1,0,0,0|1,0,1]=4
24  B4R0.1  O=C(O)CO YMDB00807 [0,1,1,0,0,0|1,0,1]=4
25  B4R0.2  C=COCC YMDB01335 [0,1,1,0,0,0|0,0,1]=3
26  B4R0.2  CCCCO YMDB01386 [0,1,1,0,0,0|0,0,0]=2
27  B4R0.2  CCOC=O YMDB01684 [0,1,1,0,0,0|0,0,1]=3
28  B4R0.2  CCSCC YMDB01672 [0,1,1,0,0,0|0,1,0]=3
29  B4R0.2  CSCCO YMDB01590 [0,1,1,0,0,0|0,0,0]=2
30  B4R0.2  CSCSC YMDB01436 [0,1,1,0,0,0|0,1,0]=3
31  B4R0.2  CSSSC YMDB01438 [0,1,1,0,0,0|1,1,0]=4
32  B4R0.2  NCCC=O YMDB00048 [0,1,1,0,0,0|0,0,2]=4
33  B4R0.2  NCCCN YMDB00042 [0,1,1,0,0,0|1,0,0]=3
34  B4R0.2  OCCCO YMDB02312 [0,1,1,0,0,0|0,0,0]=2
35  B6R1.2  O=C1CCCO1 YMDB01418 [0,0,0,0,0,2|1,0,1]=4