0  B9R1.37  CC1OC(=O)C(O)=C1C TN7031 [0,0,0,0,0,0|1,0,2]=3
1  B8R1.50  N[C@@H]1CCN(O)C1=O T12637 [1,0,0,0,0,0|2,0,1]=4
2  B8R1.50  N[C@H]1CCN(O)C1=O T23298 [1,0,0,0,0,0|2,0,1]=4
3  B8R0.2  C(=O)([C@@H](N)[C@H](CC)C)O T0063 [0,0,1,0,0,0|2,0,1]=4
4  B8R0.2  CCC(C)C(=O)C(O)=O T8264 [0,0,1,0,0,0|1,0,0]=2
5  B8R0.2  CC[C@@H](C)[C@H](C(O)=O)N T9143 [0,0,1,0,0,0|2,0,1]=4
6  B8R0.2  CC[C@@H](C)[C@H](N)C(O)=O T5219 [0,0,1,0,0,0|2,0,1]=4
7  B8R0.2  CC[C@H](C)[C@H](N)C(O)=O T30575 [0,0,1,0,0,0|2,0,1]=4
8  B8R0.19  CCC(C)CC(=O)CC TN3128 [0,0,1,0,0,0|1,0,1]=3
9  B7R0.2  CC(C)C[C@H](N)C=O T25675 [1,0,1,0,0,0|1,0,1]=4
10  B7R0.2  CCC(C)CC(O)=O T19122 [1,0,1,0,0,0|0,0,1]=3
11  B7R0.2  CCC(O)CC(O)=O T19121 [1,0,1,0,0,0|1,0,1]=4
12  B7R0.5  CCCC(=O)C(O)=O T13484 [1,0,1,0,0,0|1,0,0]=3
13  B7R0.5  CCOC(=O)C(C)=O T8030 [1,0,1,0,0,0|1,0,0]=3
14  B7R0.10  CCC(O)C(=O)CC T20376 [1,0,1,0,0,0|0,0,2]=4
15  B7R0.16  CC(C)C(=O)C(O)=O T5232 [1,0,1,0,0,0|1,0,0]=3
16  B7R0.16  CC(C)C(O)C(O)=O T5273 [1,0,1,0,0,0|1,0,1]=4
17  B7R0.16  CC(C)[C@H](C(O)=O)N T9298 [1,0,1,0,0,0|1,0,1]=4
18  B7R0.16  CC(C)[C@H](N)C(O)=O T2O2776 [1,0,1,0,0,0|1,0,1]=4
19  B7R0.16  NC(C(C)C)C(O)=O T9294 [1,0,1,0,0,0|1,0,1]=4
20  B7R1.2  OC1CCC(=O)N1 TN3117 [2,0,0,0,0,0|2,0,0]=4
21  B7R1.4  C=C1CCOC1=O T5320 [2,0,0,0,0,0|2,0,0]=4
22  B7R1.4  CC1OCCC1=O T8050 [2,0,0,0,0,0|1,0,1]=4
23  B7R1.4  CN1CCCC1=O T5851 [2,0,0,0,0,0|1,0,1]=4
24  B7R1.4  NC1CCSC1=O T5968 [2,0,0,0,0,0|2,0,0]=4
25  B7R1.4  N[C@H]1CCSC1=O T19393 [2,0,0,0,0,0|2,0,0]=4
26  B9R1.106  C[C@@]1(O)[C@H](O)COC1=O TN2750 [1,1,0,0,0,0|2,0,0]=4
27  B9R1.138  CC1(C)COC(=O)C1=O T20466 [1,1,0,0,0,0|1,0,0]=3
28  B9R1.138  CC1(C)COC(=O)[C@@H]1O T4828 [1,1,0,0,0,0|2,0,0]=4
29  B9R2.39  O=C1CC2CCC1C2 TN4667 [1,0,0,1,0,0|1,0,1]=4