0  B3R0.2  CC(=O)O YMDB00056 [0,0,0,0,0,0|2,1,0]=3
1  B3R0.2  CC(C)O YMDB01718 [0,0,0,0,0,0|2,1,1]=4
2  B3R0.2  CC(N)=O YMDB01563 [0,0,0,0,0,0|1,1,0]=2
3  B3R0.2  NC(N)=O YMDB00003 [0,0,0,0,0,0|0,1,0]=1
4  B3R0.2  O=C(O)O YMDB00382 [0,0,0,0,0,0|2,1,0]=3
5  B3R0.2  O=S([O-])[O-] YMDB00114 [0,0,0,0,0,0|3,1,0]=4
6  B3R0.2  O=[N+]([O-])[O-] YMDB00981 [0,0,0,0,0,0|3,1,0]=4
7  B2R0.1  CC=O YMDB00022 [1,0,0,0,0,0|1,1,0]=3
8  B2R0.1  CCO YMDB00883 [1,0,0,0,0,0|1,1,1]=4
9  B2R0.1  CCS YMDB01683 [1,0,0,0,0,0|1,0,2]=4
10  B2R0.1  CSC YMDB01674 [1,0,0,0,0,0|3,0,0]=4
11  B2R0.1  N#C[S-] YMDB00391 [1,0,0,0,0,0|0,0,3]=4
12  B2R0.1  O=C=O YMDB00912 [1,0,0,0,0,0|1,1,1]=4
13  B2R0.1  O=CO YMDB00385 [1,0,0,0,0,0|1,1,0]=3
14  B2R0.1  O=N[O-] YMDB00135 [1,0,0,0,0,0|2,1,0]=4
15  B2R0.1  O=S=O YMDB01785 [1,0,0,0,0,0|2,1,0]=4
16  B4R0.1  CC(=O)C=O YMDB00170 [0,1,0,0,0,0|2,1,0]=4
17  B4R0.1  CC(=O)CN YMDB00892 [0,1,0,0,0,0|1,1,0]=3
18  B4R0.1  CCC(=O)O YMDB00857 [0,1,0,0,0,0|2,1,0]=4
19  B4R0.1  NCC(=O)O YMDB00016 [0,1,0,0,0,0|1,1,0]=3
20  B4R0.1  O=C(O)CO YMDB00807 [0,1,0,0,0,0|2,1,0]=4
21  B4R0.1  O=CC(=O)O YMDB00033 [0,1,0,0,0,0|2,1,0]=4
22  B1R0.1  C=O YMDB00321 [2,0,0,0,0,0|0,1,0]=3
23  B1R0.1  CS YMDB00062 [2,0,0,0,0,0|0,0,2]=4
24  B1R0.1  O=O YMDB00900 [2,0,0,0,0,0|1,1,0]=4
25  B1R0.1  OO YMDB00888 [2,0,0,0,0,0|1,1,0]=4
26  B1R0.1  [C-]#N YMDB00074 [2,0,0,0,0,0|0,0,2]=4
27  B1R0.1  [N]=O YMDB00982 [2,0,0,0,0,0|0,1,1]=4
28  B1R0.1  [O][O-] YMDB00372 [2,0,0,0,0,0|1,1,0]=4
29  B3R0.1  C=CC=O YMDB00812 [1,1,0,0,0,0|1,1,0]=4
30  B3R0.1  CCC=O YMDB00911 [1,1,0,0,0,0|1,1,0]=4
31  B3R0.1  NCC=O YMDB00771 [1,1,0,0,0,0|0,1,0]=3
32  B3R0.1  NCCO YMDB00009 [1,1,0,0,0,0|0,1,1]=4
33  B3R0.1  O=CCO YMDB00343 [1,1,0,0,0,0|1,1,0]=4
34  B5R0.1  CCCC([O-])=S YMDB01781 [0,2,0,0,0,0|2,0,0]=4
35  B5R0.1  NCCC(=O)O YMDB00195 [0,2,0,0,0,0|1,1,0]=4
36  B5R0.5  C[C@@H](N)C(=O)O YMDB00993 [0,2,0,0,0,0|1,1,0]=4
37  B5R0.5  C[C@H](N)C(=O)O YMDB00154 [0,2,0,0,0,0|1,1,0]=4