0  B5R0.1  COC[C@@H](C)N 3696 [1,0,0,0,0,0|2,0,0]=3
1  B7R0.2  CC[C@@H](C)CC(=O)O 911 [0,1,0,0,0,0|1,0,0]=2
2  B7R0.2  CC[C@H](C)CC(=O)O 916 [0,1,0,0,0,0|1,0,0]=2
3  B7R0.16  CC(C)[C@@H](O)C(=O)O 4139 [0,1,0,0,0,0|1,0,0]=2
4  B6R0.1  C[C@@H](CO)CCO 4679 [1,1,0,0,0,0|0,0,2]=4
5  B6R0.3  CC(CO)C(=O)[O-] 4034 [1,1,0,0,0,0|2,0,0]=4
6  B6R0.3  CC[C@H](O)C(=O)O 3680 [1,1,0,0,0,0|1,0,0]=3
7  B6R0.3  NC(=O)[C@H](N)CS 361 [1,1,0,0,0,0|2,0,0]=4
8  B6R0.3  O=C(O)[C@@H](O)CO 3697 [1,1,0,0,0,0|2,0,0]=4
9  B6R0.7  CC(C)(C)C(N)=O 213 [0,1,0,0,1,0|1,0,0]=3
10  B8R0.9  CC(C)NC[C@@H](O)CO 3685 [0,1,0,0,0,1|0,0,2]=4
11  B8R0.9  CC(C)NC[C@H](O)CO 3686 [0,1,0,0,0,1|0,0,2]=4
12  B8R0.2  CC[C@H](C)[C@H](O)C(=O)O 4121 [0,2,0,0,0,0|1,0,0]=3
13  B8R0.27  CC(C)(C)[C@@H](O)C(=O)O 4582 [0,2,0,0,0,0|1,0,0]=3
14  B6R1.2  N=C1CCCS1 2998 [1,0,0,1,0,0|1,1,0]=4
15  B8R1.51  CC1(C)C=CC(=O)C1 2961 [0,0,0,1,0,1|0,0,1]=3