0  B8R1.18  CC1=CC(=O)C(C)O1 HY-W010553 [0,0,0,0,0,0|0,1,3]=4
1  B7R1.2  CC1CCC(=O)O1 HY-W015938 [1,0,0,0,0,0|1,0,1]=3
2  B7R1.2  CN1CCC(O)C1 HY-I0708 [1,0,0,0,0,0|2,1,0]=4
3  B7R1.4  [C@H]1(N)CCOC1=O HY-W015800 [1,0,0,0,0,0|2,0,1]=4
4  B7R0.2  CCC(C)CC(=O)O HY-W010513 [0,0,1,0,0,0|2,0,1]=4
5  B7R0.2  CCC(C)CC(=O)O HY-W010513R [0,0,1,0,0,0|2,0,1]=4
6  B7R0.2  CCC(C)CC(C)N HY-W015593 [0,0,1,0,0,0|2,0,0]=3
7  B7R0.2  CCC(C)OC(C)=O HY-158759 [0,0,1,0,0,0|2,0,1]=4
8  B7R0.2  CCC(O)CC(=O)O HY-113004 [0,0,1,0,0,0|1,1,1]=4
9  B7R0.2  [C@@H](C)(O)CC(=O)OC HY-W012885 [0,0,1,0,0,0|1,1,1]=4
10  B7R0.2  [C@H](C)(O)CC(=O)OC HY-W010507 [0,0,1,0,0,0|1,1,1]=4
11  B7R0.2  [C@H](N)(CO)CC(C)C HY-W012888 [0,0,1,0,0,0|2,1,0]=4
12  B7R0.5  CCCC(C)C(=O)O HY-W010516 [0,0,1,0,0,0|2,0,1]=4
13  B7R0.5  CCCC(N)C(=O)O HY-W010510 [0,0,1,0,0,0|2,0,1]=4
14  B7R0.5  CCC[C@@H](N)C(=O)O HY-41309 [0,0,1,0,0,0|2,0,1]=4
15  B7R0.5  CCC[C@H](N)C(=O)O HY-Y0399 [0,0,1,0,0,0|2,0,1]=4
16  B7R0.5  CCOC(=O)[C@@H](C)N HY-W017350 [0,0,1,0,0,0|2,0,1]=4
17  B7R0.5  CCOC(=O)[C@H](C)N HY-I0517 [0,0,1,0,0,0|2,0,1]=4
18  B7R0.7  CCOC(=O)CCN HY-Y1153 [0,0,1,0,0,0|2,0,1]=4
19  B6R0.4  CC(C)CCCO HY-W007511 [1,0,1,0,0,0|1,1,0]=4
20  B6R0.4  CCCCB(O)O HY-W000932 [1,0,1,0,0,0|2,0,0]=4
21  B6R0.6  CCCCCCO HY-W032022 [1,0,1,0,0,0|1,1,0]=4
22  B6R1.2  CN1CCCC1 HY-128383 [2,0,0,0,0,0|2,0,0]=4
23  B6R1.2  F[C@@H]1CCNC1 HY-40421 [2,0,0,0,0,0|2,0,0]=4
24  B6R1.2  O=C1CCOC1 HY-33900 [2,0,0,0,0,0|0,1,1]=4
25  B6R1.2  O[C@H]1CCOC1 HY-76476 [2,0,0,0,0,0|0,1,0]=3
26  B8R0.5  CCOC(=O)CC(C)O HY-W012701 [0,1,1,0,0,0|0,1,1]=4
27  B8R0.5  CCOC(=O)C[C@H](C)O HY-W076441 [0,1,1,0,0,0|0,1,1]=4
28  B8R1.1  CCC1CCC(=O)O1 HY-W015892 [1,1,0,0,0,0|1,0,1]=4
29  B10R1.35  COC1C[C@H](O)[C@@H](CO)O1 HY-77957 [0,2,0,0,0,0|0,1,0]=3
30  B8R1.4  CC1CCCC(C)N1 HY-B1191 [0,0,1,1,0,0|2,0,0]=4
31  B8R1.5  N[C@@H]1CCCC[C@H]1N HY-41957 [0,0,1,1,0,0|2,0,0]=4
32  B8R1.5  O[C@@H]1CCCC[C@H]1O HY-W010514 [0,0,1,1,0,0|0,1,0]=3
33  B10R2.71  OC1CC2CCC(C1)N2 HY-W018601 [0,0,0,1,0,1|1,1,0]=4
34  B10R2.71  [C@H]12CC[C@H](C[C@H](O)C1)N2 HY-W066915 [0,0,0,1,0,1|1,1,0]=4
35  B8R1.3  C[C@H]1CC[C@H](N)CC1 HY-W010538 [1,0,0,0,0,1|2,0,0]=4
36  B8R1.3  OC1COC(O)CO1 HY-W004661 [1,0,0,0,0,1|1,1,0]=4