0  B4R0.1  CC(=O)C=O YMDB00170 [0,0,0,0,0,0|3,0,0]=3
1  B4R0.1  CC(=O)CN YMDB00892 [0,0,0,0,0,0|4,0,0]=4
2  B4R0.1  CC(C)C=O YMDB00482 [0,0,0,0,0,0|4,0,0]=4
3  B4R0.1  CCC(=O)O YMDB00857 [0,0,0,0,0,0|3,0,1]=4
4  B4R0.1  CN(C)C=O YMDB01396 [0,0,0,0,0,0|3,1,0]=4
5  B4R0.1  C[C@@H](O)C=O YMDB00111 [0,0,0,0,0,0|3,0,1]=4
6  B4R0.1  C[C@H](O)C=O YMDB00167 [0,0,0,0,0,0|3,0,1]=4
7  B4R0.1  NCC(=O)O YMDB00016 [0,0,0,0,0,0|3,0,1]=4
8  B4R0.1  O=C(O)CO YMDB00807 [0,0,0,0,0,0|2,0,2]=4
9  B4R0.1  O=CC(=O)O YMDB00033 [0,0,0,0,0,0|2,0,1]=3
10  B3R0.1  C=CC=O YMDB00812 [1,0,0,0,0,0|3,0,0]=4
11  B3R0.1  CCC=O YMDB00911 [1,0,0,0,0,0|3,0,0]=4
12  B3R0.1  NCC=O YMDB00771 [1,0,0,0,0,0|3,0,0]=4
13  B3R0.1  O=CCO YMDB00343 [1,0,0,0,0,0|2,0,1]=4
14  B3R0.2  CC(=O)O YMDB00056 [1,0,0,0,0,0|2,0,1]=4
15  B3R0.2  CC(N)=O YMDB01563 [1,0,0,0,0,0|2,1,0]=4
16  B3R0.2  NC(N)=O YMDB00003 [1,0,0,0,0,0|2,1,0]=4
17  B3R0.2  O=C(O)O YMDB00382 [1,0,0,0,0,0|1,0,2]=4
18  B3R0.2  O=S([O-])[O-] YMDB00114 [1,0,0,0,0,0|1,0,2]=4
19  B3R0.2  O=[N+]([O-])[O-] YMDB00981 [1,0,0,0,0,0|0,1,2]=4
20  B5R0.5  CC(=O)C(=O)O YMDB00175 [0,1,0,0,0,0|2,0,1]=4
21  B5R0.5  CC(=O)C(C)=O YMDB00367 [0,1,0,0,0,0|3,0,0]=4
22  B2R0.1  CC=O YMDB00022 [2,0,0,0,0,0|2,0,0]=4
23  B2R0.1  O=C=O YMDB00912 [2,0,0,0,0,0|1,0,0]=3
24  B2R0.1  O=CO YMDB00385 [2,0,0,0,0,0|1,0,1]=4
25  B2R0.1  O=N[O-] YMDB00135 [2,0,0,0,0,0|0,1,1]=4
26  B2R0.1  O=S=O YMDB01785 [2,0,0,0,0,0|1,0,0]=3
27  B4R0.3  O=S(=O)([O-])[O-] YMDB00005 [1,1,0,0,0,0|1,0,1]=4
28  B4R0.3  O=S(=O)([O-])[S-] YMDB00303 [1,1,0,0,0,0|1,0,1]=4