0  B8R1.1  C=CC1CNC(=S)O1 T2S1778 [0,0,0,0,0,0|1,1,2]=4
1  B8R1.1  C=C[C@@H]1CNC(=S)O1 BBP02818 [0,0,0,0,0,0|1,1,2]=4
2  B8R1.1  C=C[C@@H]1CNC(=S)O1 T5S0092 [0,0,0,0,0,0|1,1,2]=4
3  B8R1.1  COC1CCC(=O)N1 BBP00214 [0,0,0,0,0,0|2,0,0]=2
4  B8R1.1  O=C1CC[C@H](CO)C1 BBP00686 [0,0,0,0,0,0|2,0,0]=2
5  B7R1.2  O=C1CCC(O)N1 BBP01947 [1,0,0,0,0,0|2,0,0]=3
6  B9R1.35  O=C1CC[C@@H](C(=O)O)N1 T0507 [0,1,0,0,0,0|2,0,1]=4
7  B9R1.35  O=C1CC[C@H](C(=O)O)N1 T4814 [0,1,0,0,0,0|2,0,1]=4
8  B7R0.4  CCCCCC(=O)O T3944 [0,0,1,0,0,0|0,0,0]=1
9  B7R0.4  NCCCCC(=O)O T5089 [0,0,1,0,0,0|1,0,0]=2
10  B6R0.2  CC(C)CC(N)=O T0361 [1,0,1,0,0,0|2,0,0]=4
11  B6R0.4  CCCCC(=O)O T4792 [1,0,1,0,0,0|0,0,0]=2
12  B6R0.4  NCCCC(=O)O T0508 [1,0,1,0,0,0|1,0,0]=3
13  B6R1.2  O=C1CCCC1 T4800 [2,0,0,0,0,0|1,0,0]=3
14  B8R0.2  CC[C@H](C)[C@H](N)C(=O)O T0063 [0,1,1,0,0,0|2,0,0]=4
15  B8R0.3  O=CC[C@H](O)[C@H](O)CO T4818 [0,1,1,0,0,0|1,0,0]=3
16  B8R0.7  CCCCCCC(=O)O T3945 [0,1,1,0,0,0|0,0,0]=2
17  B8R0.28  O=C(O)CCCC(=O)O T4794 [0,1,1,0,0,0|1,0,1]=4
18  B10R1.14  COC(=O)[C@@H]1CCC(=O)N1 BBP03108 [0,2,0,0,0,0|1,0,1]=4
19  B6R0.3  CC(CN)C(=O)O T4887 [0,0,1,0,1,0|2,0,0]=4
20  B6R0.3  CCC(O)C(=O)[O-] T4738 [0,0,1,0,1,0|2,0,0]=4