0  B7R0.3  COC(=O)CCCN T22364 [1,0,0,0,0,0|1,0,1]=3
1  B9R0.18  OCCCC(=O)NCCO T31724 [0,1,0,0,0,0|2,0,1]=4
2  B9R0.48  CCOC(=O)/C=C/C(O)=O TN6813 [0,1,0,0,0,0|1,0,2]=4
3  B9R1.8  CCOc1ccccc1 T19753 [0,0,0,1,0,0|1,0,2]=4
4  B9R1.50  OC1CCC/C=C/CC1 T18751 [0,0,0,1,0,0|1,0,2]=4
5  B9R1.50  O[C@@H]1CCC/C=C/CC1 T18648 [0,0,0,1,0,0|1,0,2]=4
6  B9R1.69  C[C@@H]1NC(=O)CNC1=O T13629 [0,0,0,1,0,0|3,0,0]=4
7  B6R0.6  CC/C=C\CCO T22295 [2,0,0,0,0,0|2,0,0]=4
8  B6R0.1  COC(=O)CCN T8097 [2,0,0,0,0,0|1,0,0]=3
9  B6R0.4  COCCC(O)=O T20899 [2,0,0,0,0,0|1,0,1]=4
10  B6R0.4  CSCCC(O)=O T5285 [2,0,0,0,0,0|1,0,1]=4
11  B6R0.4  NCCCC(O)=O T0508 [2,0,0,0,0,0|1,0,1]=4
12  B6R0.4  OC(=O)CCC#C T0580 [2,0,0,0,0,0|0,0,2]=4
13  B6R0.4  OC(=O)CCC=C T8032 [2,0,0,0,0,0|0,0,0]=2
14  B6R0.4  OC(=O)CNC=O T4741 [2,0,0,0,0,0|2,0,0]=4
15  B8R0.9  COC(=O)CCC(C)=O TN4548 [1,1,0,0,0,0|0,0,1]=3
16  B8R0.9  NCC(=O)CCC(O)=O T14047 [1,1,0,0,0,0|2,0,0]=4
17  B8R0.9  NCC(=O)CCC(O)=O T1662 [1,1,0,0,0,0|2,0,0]=4
18  B8R0.19  CCC(C)CC(=O)CC TN3128 [1,1,0,0,0,0|0,0,2]=4
19  B8R0.5  CCOC(=O)CC(C)=O T15254 [1,1,0,0,0,0|0,0,1]=3
20  B8R0.5  CCOC(=O)CC(C)O T19314 [1,1,0,0,0,0|0,0,1]=3
21  B8R0.5  CCOC(=O)CC(O)=O T4773 [1,1,0,0,0,0|1,0,0]=3
22  B8R0.5  CCOC(=O)CC([O-])=O T22328 [1,1,0,0,0,0|1,0,0]=3
23  B10R0.6  CC(C)CC(=O)NCCC=O T29416 [0,2,0,0,0,0|2,0,0]=4
24  B10R0.32  CCOC(=O)[C@@H](N)CC(C)C T31711 [0,2,0,0,0,0|0,0,2]=4
25  B10R0.32  CCOC(=O)[C@@H](N)CC(C)C T31711L [0,2,0,0,0,0|0,0,2]=4
26  B10R0.35  CCOC(=O)[C@@H](N)[C@@H](C)CC T31710 [0,2,0,0,0,0|0,0,2]=4
27  B10R0.26  CCOC(=O)CC(=C)C(O)=O T9511 [0,2,0,0,0,0|1,0,1]=4
28  B10R0.26  CCOC(=O)CC(=O)C([O-])=O T34673 [0,2,0,0,0,0|1,0,1]=4
29  B8R1.1  OC[C@H]1CCC(=O)C1 TN2951 [1,0,0,1,0,0|1,0,1]=4
30  B8R1.4  CC1CC=CC(=O)O1 TN3177 [1,0,0,1,0,0|0,0,2]=4
31  B8R1.18  C=C1CC(=O)OC1=O T5321 [1,0,0,1,0,0|1,0,1]=4
32  B10R1.118  C[C@H]1OC(=O)[C@@H](C)OC1=O T7933 [0,1,0,1,0,0|2,0,0]=4