0  B8R0.23  CC(=O)C(=O)OC(C)C BB31-7341 [0,0,0,0,0,0|2,0,2]=4
1  B8R0.23  CC(=O)C(C)CC(=O)O BB31-6096 [0,0,0,0,0,0|2,0,0]=2
2  B7R0.6  CC(=O)NCC(C)O BB31-7690 [1,0,0,0,0,0|1,0,2]=4
3  B7R0.6  CC(=O)\C=C\C(=O)O BB31-4699 [1,0,0,0,0,0|2,0,1]=4
4  B9R0.23  COC(=O)[C@H](N)CC(N)=O BB32-0096 [0,1,0,0,0,0|3,0,0]=4
5  B9R0.39  CN[C@@H](CC(N)=O)C(=O)O BB31-7264 [0,1,0,0,0,0|3,0,0]=4
6  B9R0.42  COC(=O)C[C@@H](C)C(=O)O BB31-5539 [0,1,0,0,0,0|2,0,0]=3
7  B9R0.42  COC(=O)C[C@H](C)C(=O)O BB31-9056 [0,1,0,0,0,0|2,0,0]=3
8  B9R0.79  C[C@H](C(=O)O)[C@@H](C)C(=O)O BB32-3117 [0,1,0,0,0,0|3,0,0]=4
9  B9R1.35  CC(=O)N1CCC(=O)C1 BB32-2049 [0,0,0,1,0,0|2,0,0]=3
10  B9R1.35  CC(C)[C@@H]1CCC(=O)N1 BB31-2463 [0,0,0,1,0,0|2,0,1]=4
11  B9R1.69  C[C@@H]1NC(=O)CNC1=O BB32-2306 [0,0,0,1,0,0|2,0,0]=3
12  B9R1.152  CC1(C(=O)O)CC(=O)C1 BB31-4490 [0,0,0,1,0,0|2,0,0]=3
13  B9R1.161  O=C(O)[C@H]1C[C@@H]1C(=O)O BB31-2567 [0,0,0,1,0,0|3,0,0]=4
14  B9R1.161  O=C(O)[C@H]1C[C@H]1C(=O)O BB32-3765 [0,0,0,1,0,0|3,0,0]=4
15  B7R0.16  CC(C)C(C)C(=O)O BB31-8342 [0,0,0,0,1,0|2,0,1]=4
16  B6R0.4  COCOC(C)=O BB32-2824 [2,0,0,0,0,0|1,0,0]=3
17  B6R0.3  CC[C@@H](C)C(=O)O BB31-4656 [2,0,0,0,0,0|1,0,1]=4
18  B8R0.5  CCCC(C)CC(C)=O BB32-3065 [1,1,0,0,0,0|1,0,1]=4
19  B8R0.9  CC(=O)NNC(=O)CBr BB31-9622 [1,1,0,0,0,0|2,0,0]=4
20  B8R0.9  COC(=O)CNC(C)=O BB31-6237 [1,1,0,0,0,0|1,0,0]=3
21  B10R0.47  COC(=O)CC(C)(C)C(=O)O BB32-2604 [0,2,0,0,0,0|2,0,0]=4
22  B10R0.23  C#CCC(NC(C)=O)C(=O)O BB31-4215 [0,2,0,0,0,0|2,0,0]=4
23  B8R1.1  C=CC1CCC(=O)N1 BB31-7031 [1,0,0,1,0,0|1,0,1]=4
24  B8R1.4  CC1CCOC(=O)O1 BB31-3403 [1,0,0,1,0,0|1,0,1]=4
25  B8R1.4  C[C@H]1CC(=O)CCN1 BB32-0051 [1,0,0,1,0,0|2,0,0]=4
26  B8R1.5  CC1COCCC1=O BB31-0779 [1,0,0,1,0,0|2,0,0]=4
27  B8R1.7  CC(=O)[C@@H]1CCCO1 BB31-1725 [1,0,0,1,0,0|0,0,1]=3
28  B8R1.78  CC(=O)C1(C)COC1 BB31-9824 [1,0,0,1,0,0|2,0,0]=4
29  B8R1.50  CC1=NNC(=O)C1C BB52-7289 [0,0,0,1,1,0|2,0,0]=4
30  B10R1.54  O=C(O)CC1CCC(=O)C1 BB31-7997 [0,0,0,1,0,1|2,0,0]=4
31  B10R1.54  O=C(O)CC1CCC(=O)O1 BB54-4135 [0,0,0,1,0,1|1,0,0]=3
32  B10R1.14  COC(=O)C1=CC(=O)CC1 BB31-9888 [0,1,0,1,0,0|1,0,1]=4
33  B10R1.14  COC(=O)[C@@H]1CCC(=O)C1 BB31-1920 [0,1,0,1,0,0|1,0,0]=3
34  B10R1.14  COC(=O)[C@@H]1CCC(=O)O1 BB31-8179 [0,1,0,1,0,0|0,0,0]=2
35  B10R1.14  COC(=O)[C@H]1CCC(=O)C1 BB31-1919 [0,1,0,1,0,0|1,0,0]=3
36  B10R1.194  CN1C(=O)CCC1C(=O)O BB51-0407 [0,1,0,1,0,0|2,0,0]=4
37  B10R1.113  CC(=O)N1CCNC(=O)C1 BB31-3650 [0,1,0,1,0,0|2,0,0]=4
38  B8R0.28  CC(=O)CCOC(C)=O BB31-0205 [1,0,0,0,0,1|0,0,0]=2