0  B8R0.3  CCOC(=O)[C@@H](N)CS D01559 [0,1,0,0,0,0|1,0,0]=2
1  B5R0.1  CCCC(=O)[O-] D08998 [2,0,0,0,0,0|1,1,0]=4
2  B5R0.1  CCOC(C)=O D02319 [2,0,0,0,0,0|0,0,0]=2
3  B5R0.3  O=C(CO)CO D07841 [2,0,0,0,0,0|1,1,0]=4
4  B5R0.3  [*]CC(=O)O[*] D05557 [2,0,0,0,0,0|2,0,0]=4
5  B5R0.5  CC(O)C(=O)O D00111 [2,0,0,0,0,0|0,1,0]=3
6  B5R0.5  CC(O)C(=O)[O-] D00936 [2,0,0,0,0,0|0,1,1]=4
7  B5R0.5  CC(O)C(=O)[O-] D02183 [2,0,0,0,0,0|0,1,1]=4
8  B5R0.5  CC(O)C(=O)[O-] D02254 [2,0,0,0,0,0|0,1,1]=4
9  B5R0.5  CC(O)C(=O)[O-] D02920 [2,0,0,0,0,0|0,1,1]=4
10  B5R0.5  C[C@H](N)C(=O)O D00012 [2,0,0,0,0,0|1,0,0]=3
11  B9R0.7  CC(S)C(=O)NCC(=O)O D01430 [0,2,0,0,0,0|1,0,1]=4
12  B7R1.2  CC1COC(=O)O1 D05633 [1,0,0,1,0,0|1,0,0]=3