0  B10R0.97  O=C(O)CCCCCC(=O)O M19546 [0,0,0,0,0,0|1,0,0]=1
1  B9R0.2  CCCCCCCC(=O)O M19558 [1,0,0,0,0,0|2,0,1]=4
2  B11R0.29  NC(=O)NCCCC(N)C(=O)O M18924 [0,1,0,0,0,0|3,0,0]=4
3  B11R0.29  NC(=O)NCCC[C@H](N)C(=O)O M19600 [0,1,0,0,0,0|3,0,0]=4
4  B11R0.29  N[C@@H](CSCCB(O)O)C(=O)O M17443 [0,1,0,0,0,0|1,0,1]=3
5  B11R1.178  CC(=O)N1CSCC1C(=O)O M20587 [0,0,0,1,0,0|2,0,0]=3
6  B9R0.55  CC(=O)NCCCC(=O)O M19755 [0,0,0,0,1,0|2,0,0]=3
7  B9R0.55  N=C(N)NCCCC(=O)O M19717 [0,0,0,0,1,0|3,0,0]=4
8  B9R0.55  O=C(O)CCCCC(=O)O M10971 [0,0,0,0,1,0|0,0,0]=1
9  B9R0.55  O=C(O)CCCCC(=O)O M20645 [0,0,0,0,1,0|0,0,0]=1
10  B9R0.55  O=C(O)C\C=C\CC(=O)O M20035 [0,0,0,0,1,0|0,0,2]=3
11  B11R0.30  CC(=O)NCCCCCC(=O)O M15077 [0,0,0,0,0,1|2,0,0]=3
12  B11R0.30  O=C(O)CCCCCCC(=O)O M19610 [0,0,0,0,0,1|1,0,0]=2
13  B8R0.7  CCCCCCC(=O)O M19552 [2,0,0,0,0,0|1,0,1]=4
14  B8R0.7  NCCCCCC(=O)O M15254 [2,0,0,0,0,0|1,0,1]=4
15  B10R0.75  N[C@@H](CSCCCO)C(=O)O M11291 [1,1,0,0,0,0|0,0,1]=3
16  B10R0.96  CC(=O)CC(=O)CCC(=O)O M21430 [0,1,0,0,1,0|1,0,1]=4
17  B10R0.96  CC(CCC(=O)O)CC(=O)O M19985 [0,1,0,0,1,0|0,0,0]=2
18  B10R0.98  NC(CCCC(=O)O)C(=O)O M19620 [0,1,0,0,1,0|0,0,0]=2
19  B10R0.98  N[C@@H](CSCC(=O)O)C(=O)O M18287 [0,1,0,0,1,0|0,0,0]=2
20  B10R0.98  O=C(O)CCCC(=O)C(=O)O M19687 [0,1,0,0,1,0|0,0,1]=3
21  B12R0.42  CC(=O)NCCCC[C@H](N)C(=O)O M21405 [0,1,0,0,0,1|2,0,0]=4
22  B12R0.42  NC(=O)NCCCC[C@H](N)C(=O)O M20022 [0,1,0,0,0,1|2,0,0]=4
23  B12R0.627  CC(CSC[C@H](N)C(=O)O)C(=O)O M29485 [0,2,0,0,0,0|0,0,0]=2
24  B12R0.627  NC(CCCC(N)C(=O)O)C(=O)O M19723 [0,2,0,0,0,0|1,0,0]=3
25  B12R0.277  CCOC(=O)CCCCCC(=O)O M26986 [0,2,0,0,0,0|1,0,0]=3
26  B10R1.61  O=C(O)C1CCCCN1O M23336 [1,0,0,1,0,0|2,0,0]=4
27  B12R1.261  O=C(O)[C@H]1NCCC[C@H]1C(=O)O M27292 [0,0,0,1,0,1|1,0,0]=3
28  B8R0.28  CC(=O)NCCC(=O)O M13947 [0,0,0,0,2,0|2,0,0]=4
29  B8R0.28  NC(=O)NCCC(=O)O M19721 [0,0,0,0,2,0|2,0,0]=4
30  B8R0.28  O=C(O)CCCC(=O)O M19551 [0,0,0,0,2,0|0,0,0]=2
31  B12R0.268  O=C(O)CCCCCCCC(=O)O M10969 [0,0,0,0,0,2|1,0,0]=3