0  B7R0.10  OC[C@@H](O)[C@H](O)CO T5218 [0,0,0,0,0,0|2,1,0]=3
1  B7R0.10  OC[C@H](O)[C@H](O)CO T0583 [0,0,0,0,0,0|2,1,0]=3
2  B7R0.10  O[C@@H](CS)[C@@H](O)CS T5370 [0,0,0,0,0,0|2,2,0]=4
3  B7R0.10  O[C@H](CS)[C@@H](O)CS T19299 [0,0,0,0,0,0|2,2,0]=4
4  B6R0.3  CC(CO)C(=O)O T19619 [1,0,0,0,0,0|1,1,1]=4
5  B6R0.3  CC[C@@H](N)C(=O)O T19302 [1,0,0,0,0,0|2,0,1]=4
6  B6R0.3  CC[C@H](N)C(=O)O T5306 [1,0,0,0,0,0|2,0,1]=4
7  B8R0.2  CC[C@@H](C)[C@H](N)C(=O)O T5219 [0,1,0,0,0,0|2,0,1]=4
8  B8R0.2  CC[C@H](C)[C@H](N)C(=O)O T0063 [0,1,0,0,0,0|2,0,1]=4
9  B8R0.3  O=CC[C@H](O)[C@H](O)CO T4818 [0,1,0,0,0,0|1,1,1]=4
10  B8R0.13  C[C@](O)(CO)[C@H](O)CO TN2379 [0,1,0,0,0,0|1,1,0]=3
11  B8R1.5  N[C@@H]1CCCC[C@H]1N T0164 [0,0,0,1,0,0|3,0,0]=4
12  B8R1.5  O[C@@H]1CCCC[C@H]1O T4763 [0,0,0,1,0,0|2,1,0]=4
13  B5R0.1  C[C@@H](O)CCO T19538 [2,0,0,0,0,0|0,1,0]=3
14  B5R0.2  NCCCCN T22213 [2,0,0,0,0,0|2,0,0]=4
15  B5R0.3  CCC(C)C=O T5090 [2,0,0,0,0,0|0,0,2]=4
16  B5R0.3  OCC(O)CO T4776 [2,0,0,0,0,0|1,1,0]=4
17  B5R0.3  OCC(S)CS T0781 [2,0,0,0,0,0|1,0,0]=3
18  B5R0.5  C[C@@H](O)[C@@H](C)O T4751 [2,0,0,0,0,0|0,1,0]=3
19  B7R0.2  CC(C)C[C@H](N)CO T5652 [1,1,0,0,0,0|1,0,0]=3
20  B7R0.5  CCCC(C)C(=O)O T5685 [1,1,0,0,0,0|0,0,1]=3
21  B7R0.5  CCCC(N)C(=O)O T11054 [1,1,0,0,0,0|1,0,1]=4
22  B7R0.5  CCC[C@H](N)C(=O)O T4788 [1,1,0,0,0,0|1,0,1]=4
23  B9R0.29  CCC(C)C(CC)C(N)=O T17215 [0,2,0,0,0,0|1,1,0]=4