0  B8R0.16  COC(CC(C)=O)OC CS-0008327 [0,0,0,0,0,0|0,0,0]=0
1  B7R0.2  COC(=O)CC(=O)O CS-W007829 [1,0,0,0,0,0|1,0,2]=4
2  B7R0.2  COC(=O)CC(=O)[O-] CS-M3561 [1,0,0,0,0,0|1,0,2]=4
3  B7R0.2  NC[C@@H](O)CC(=O)O CS-W023137 [1,0,0,0,0,0|3,0,0]=4
4  B7R0.2  [C@H](O)(CN)CC(=O)O CS-W005749 [1,0,0,0,0,0|3,0,0]=4
5  B9R1.13  O=C(O)C[C@H]1CCCN1 CS-0031343 [0,0,0,1,0,0|3,0,0]=4
6  B6R0.2  CC(=O)NC(C)C CS-M3536 [2,0,0,0,0,0|1,0,0]=3
7  B6R0.2  CC(O)CC(=O)[O-] CS-W011168 [2,0,0,0,0,0|1,0,0]=3
8  B6R0.2  C[C@H](O)C[C@H](C)O CS-0085738 [2,0,0,0,0,0|0,0,2]=4
9  B6R0.2  [C@H](C)(O)CC(=O)[O-] CS-W016567 [2,0,0,0,0,0|1,0,0]=3
10  B6R0.4  CO\C=C\C(C)=O CS-W013712 [2,0,0,0,0,0|0,0,2]=4
11  B6R0.9  CCC(CC)NC CS-W000153 [2,0,0,0,0,0|2,0,0]=4
12  B6R0.9  COC(CN)OC CS-0015304 [2,0,0,0,0,0|1,0,0]=3
13  B8R0.2  [C@@H](N)(C(=O)O)[C@@H](C)OC CS-W008464 [1,1,0,0,0,0|1,0,0]=3
14  B8R0.36  COC(C)(OC)C(C)=O CS-W011092 [0,1,0,0,1,0|0,0,0]=2
15  B8R1.34  O=C(O)CC1CCC1 CS-D0460 [1,0,0,1,0,0|2,0,0]=4
16  B8R1.7  O=C(O)C1CCCO1 CS-W018496 [0,0,0,1,1,0|2,0,0]=4
17  B6R0.3  CN[C@H](C)C(=O)O CS-0094542 [1,0,0,0,1,0|2,0,0]=4
18  B6R0.3  [C@@H](C)(NC)C(=O)O CS-W016642 [1,0,0,0,1,0|2,0,0]=4