0  B6R0.5  CCOP(=O)(O)O YMDB02306 [0,0,0,0,0,0|3,0,1]=4
1  B6R0.5  NCCS(=O)(=O)O YMDB00772 [0,0,0,0,0,0|1,0,0]=1
2  B5R0.1  CCCC(=O)O YMDB01392 [1,0,0,0,0,0|2,0,0]=3
3  B5R0.1  NCCC(=O)O YMDB00195 [1,0,0,0,0,0|2,0,0]=3
4  B7R0.8  NCCOP(=O)(O)O YMDB00125 [0,1,0,0,0,0|2,0,1]=4
5  B4R0.1  CCC(=O)O YMDB00857 [2,0,0,0,0,0|1,0,0]=3
6  B4R0.1  NCC(=O)O YMDB00016 [2,0,0,0,0,0|2,0,0]=4
7  B4R0.1  O=C(O)CO YMDB00807 [2,0,0,0,0,0|1,1,0]=4
8  B4R0.2  CCCCO YMDB01386 [2,0,0,0,0,0|2,0,0]=4
9  B4R0.2  NCCC=O YMDB00048 [2,0,0,0,0,0|2,0,0]=4
10  B4R0.2  OCCCO YMDB02312 [2,0,0,0,0,0|1,1,0]=4
11  B4R0.3  O=S(=O)([O-])[O-] YMDB00005 [2,0,0,0,0,0|0,1,1]=4
12  B4R0.3  O=S(=O)([O-])[S-] YMDB00303 [2,0,0,0,0,0|0,0,2]=4
13  B6R0.1  CCCC(=O)OC YMDB01743 [1,1,0,0,0,0|2,0,0]=4
14  B6R0.2  CC(C)CC(=O)O YMDB01606 [1,1,0,0,0,0|2,0,0]=4
15  B6R0.2  CC(O)CC(=O)O YMDB01561 [1,1,0,0,0,0|1,1,0]=4
16  B6R0.3  CC(CN)C(=O)O YMDB01560 [1,1,0,0,0,0|2,0,0]=4
17  B6R0.3  CCC(C)C(=O)O YMDB01587 [1,1,0,0,0,0|2,0,0]=4
18  B6R0.3  CCC(O)C(=O)O YMDB00441 [1,1,0,0,0,0|2,0,0]=4
19  B6R0.3  CC[C@H](N)C(=O)O YMDB01570 [1,1,0,0,0,0|2,0,0]=4
20  B6R0.3  C[C@@H](CO)C(=O)O YMDB00337 [1,1,0,0,0,0|1,1,0]=4
21  B6R0.3  N[C@@H](CO)C(=O)O YMDB00112 [1,1,0,0,0,0|1,1,0]=4
22  B6R0.3  N[C@@H](CS)C(=O)O YMDB00046 [1,1,0,0,0,0|1,0,0]=3
23  B6R0.3  N[C@H](CO)C(=O)O YMDB00284 [1,1,0,0,0,0|1,1,0]=4
24  B6R0.3  N[C@H](CS)C(=O)O YMDB00913 [1,1,0,0,0,0|1,0,0]=3
25  B6R0.3  O=C(O)C(O)CO YMDB02321 [1,1,0,0,0,0|1,1,0]=4
26  B6R0.3  O=C(O)[C@H](O)CO YMDB02299 [1,1,0,0,0,0|1,1,0]=4
27  B6R0.4  CCCCC(=O)O YMDB01484 [1,1,0,0,0,0|2,0,0]=4
28  B6R0.4  NCCCC(=O)O YMDB00335 [1,1,0,0,0,0|2,0,0]=4
29  B6R0.4  O=CCCC(=O)O YMDB00236 [1,1,0,0,0,0|1,1,0]=4
30  B6R1.2  O=C1CCCO1 YMDB01418 [1,0,0,1,0,0|2,0,0]=4