0  B9R0.7  CC(S)C(=O)NCC(=O)O 099155 [0,0,0,0,0,0|0,0,2]=2
1  B9R0.7  C[C@H](N)C(=O)NCC(N)=O 493100 [0,0,0,0,0,0|2,0,2]=4
2  B8R0.9  COC(=O)CCC(=O)O 001779 [1,0,0,0,0,0|2,0,1]=4
3  B8R0.9  NCC(=O)CCC(=O)O 066621 [1,0,0,0,0,0|2,0,1]=4
4  B8R0.9  NCC(=O)NCC(=O)O 094740 [1,0,0,0,0,0|1,0,2]=4
5  B8R0.28  CC(C)CCCC(=O)O 002773 [1,0,0,0,0,0|2,0,1]=4
6  B8R0.28  CC(C)CSCC(=O)O 042364 [1,0,0,0,0,0|2,0,1]=4
7  B7R0.4  CCCCCC(=O)O 066626 [2,0,0,0,0,0|1,0,1]=4
8  B7R0.4  CCCSCC(=O)O 311047 [2,0,0,0,0,0|1,0,1]=4
9  B7R0.6  CC(=O)CCC(=O)O 079484 [2,0,0,0,0,0|1,0,1]=4
10  B7R0.6  CC(=O)NCC(=O)O 097974 [2,0,0,0,0,0|0,0,2]=4
11  B7R0.6  CC(=O)OCC(=O)O 228175 [2,0,0,0,0,0|1,0,1]=4
12  B7R0.6  N=C(O)CCC(=O)O 103305 [2,0,0,0,0,0|2,0,0]=4
13  B7R0.6  O=C(O)CCC(=O)O 104604 [2,0,0,0,0,0|1,1,0]=4
14  B7R0.6  O=C(O)CCC(=O)O 239121 [2,0,0,0,0,0|1,1,0]=4
15  B7R0.2  CCC(C)CC(=O)O 002768 [1,0,0,0,1,0|1,0,1]=4
16  B7R0.2  COC(=O)CC(=O)O 227679 [1,0,0,0,1,0|1,0,1]=4
17  B7R0.2  NCC(O)CC(=O)O 093269 [1,0,0,0,1,0|1,0,1]=4
18  B7R0.16  CC(C)C(O)C(=O)O 336693 [0,0,0,0,2,0|1,0,1]=4