0  B9R0.7  CC(Cl)C(=O)NCC(=O)O SY129805 [0,0,0,0,0,0|1,0,2]=3
1  B9R0.7  C[C@H](S)C(=O)NCC(=O)O SY262996 [0,0,0,0,0,0|0,0,2]=2
2  B8R0.9  CCC(=O)CCC(=O)O SY270773 [1,0,0,0,0,0|1,0,1]=3
3  B8R0.9  COC(=O)CCC(=O)O SY009523 [1,0,0,0,0,0|2,0,1]=4
4  B8R0.9  COC(=O)NCC(=O)O SY032049 [1,0,0,0,0,0|1,0,2]=4
5  B8R0.9  NCC(=O)CCC(=O)O SY017972 [1,0,0,0,0,0|2,0,1]=4
6  B8R0.9  NCC(=O)NCC(=O)O SY018005 [1,0,0,0,0,0|1,0,2]=4
7  B10R1.58  CC1=C(C)SC(C(=O)O)=N1 SY022801 [0,0,0,1,0,0|1,0,2]=4
8  B8R0.23  CC(=O)CC(=O)C(C)C SY021087 [0,0,0,0,1,0|2,0,1]=4
9  B8R0.23  CC(C)C(N)CC(=O)O SY016724 [0,0,0,0,1,0|2,0,1]=4
10  B8R0.23  CC(C)[C@@H](N)CC(=O)O SY064256 [0,0,0,0,1,0|2,0,1]=4
11  B8R0.23  CC(C)[C@H](N)CC(=O)O SY077258 [0,0,0,0,1,0|2,0,1]=4
12  B8R0.23  C[C@@H](O)[C@H](N)CC(=O)O SY254067 [0,0,0,0,1,0|1,1,1]=4
13  B10R0.96  CC(C)CC(=O)NCC(=O)O SY040457 [0,0,0,0,0,1|1,0,2]=4
14  B7R0.4  CCCOCC(=O)O SY025048 [2,0,0,0,0,0|1,0,1]=4
15  B7R0.4  O=C(O)CCCCS SY141369 [2,0,0,0,0,0|1,0,1]=4
16  B7R0.6  CC(=O)NCC(=O)O SY013515 [2,0,0,0,0,0|0,0,2]=4
17  B9R0.24  CCC(=O)CCC(=O)OC SY270772 [1,1,0,0,0,0|1,0,1]=4
18  B9R0.48  CCOC(=O)CCC(=O)O SY058510 [1,1,0,0,0,0|1,0,1]=4
19  B9R0.79  CC(C)[C@@H](O)[C@H](N)C(=O)O SY104814 [0,1,0,0,1,0|1,0,1]=4
20  B9R0.79  CC(C)[C@H](O)[C@@H](N)C(=O)O SY254571 [0,1,0,0,1,0|1,0,1]=4
21  B7R0.2  COC(=O)CC(=O)O SY046546 [1,0,0,0,1,0|1,0,1]=4
22  B7R0.16  CC(C)C(=O)C(=O)O SY005235 [0,0,0,0,2,0|1,0,1]=4
23  B7R0.16  CC(C)[C@@H](O)C(=O)O SY041974 [0,0,0,0,2,0|1,0,1]=4