0  B9R0.1  COC(=O)CCCC(=O)Cl BC220631 [1,0,0,0,0,0|2,0,0]=3
1  B9R0.2  CCCCCCCC(=O)[O-] BC213313 [1,0,0,0,0,0|0,0,2]=3
2  B9R0.5  CCOC(=O)CCCCN BC256319 [1,0,0,0,0,0|2,0,1]=4
3  B11R1.15  CCOC(=O)N1CCC(=O)C1 BC202130 [0,0,0,1,0,0|3,0,0]=4
4  B11R1.15  CCOC(=O)[C@@H]1CCC(=O)N1 BC204902 [0,0,0,1,0,0|2,0,0]=3
5  B11R1.172  C1CCN(C1)CCCC(=O)O BC657107 [0,0,0,1,0,0|2,0,0]=3
6  B9R0.48  CCOC(=O)CNC(=O)C BC215107 [0,0,0,0,1,0|3,0,0]=4
7  B8R0.7  C(CCC(=O)O)CCBr BC206267 [2,0,0,0,0,0|1,0,0]=3
8  B8R0.7  C(CCC(=O)O)CCN BC204341 [2,0,0,0,0,0|1,0,0]=3
9  B8R0.28  C(C(=O)O)NCC(=O)O BC657268 [2,0,0,0,0,0|2,0,0]=4
10  B8R0.1  CCOC(=O)CCCN BC200163 [2,0,0,0,0,0|2,0,0]=4
11  B10R0.57  COC(=O)[C@H](CCC(=O)N)N BC677169 [1,1,0,0,0,0|2,0,0]=4
12  B10R0.59  COC(=O)CCCC(=O)OC BC677947 [1,1,0,0,0,0|1,0,0]=3
13  B10R0.4  C(CCCC(=O)O)CCCO BC600063 [1,1,0,0,0,0|0,0,1]=3
14  B10R1.13  C1CC(=O)CCC1C(=O)O BC206441 [1,0,0,1,0,0|0,0,0]=2
15  B10R1.13  C1CC(CCC1C(=O)O)O BC200625 [1,0,0,1,0,0|0,0,2]=4
16  B10R1.13  C1[C@@H](CC[C@H](C1)N)C(=O)O BC645886 [1,0,0,1,0,0|1,0,1]=4
17  B10R1.13  C1[C@@H](CC[C@H](C1)O)C(=O)O BC684720 [1,0,0,1,0,0|0,0,2]=4
18  B10R1.13  C1[C@@H](NCC(=O)N1)C(=O)O BC600027 [1,0,0,1,0,0|2,0,0]=4
19  B10R1.13  C1[C@H](NCC(=O)N1)C(=O)O BC600028 [1,0,0,1,0,0|2,0,0]=4
20  B10R1.13  C1[C@H](NCC(=O)N1)C(=O)O BC600045 [1,0,0,1,0,0|2,0,0]=4
21  B10R1.13  CN1CCC(CC1)C(=O)O BC676846 [1,0,0,1,0,0|2,0,0]=4
22  B10R1.14  COC(=O)C1CCC(=O)C1 BC257487 [1,0,0,1,0,0|2,0,0]=4
23  B10R1.14  COC(=O)[C@@H]1CCC(=O)N1 BC204901 [1,0,0,1,0,0|2,0,0]=4
24  B10R1.18  C1CC(CNC1)CC(=O)O BC211582 [1,0,0,1,0,0|1,0,0]=3
25  B10R1.18  C1CC(C[NH2+]C1)CC(=O)O BC223508 [1,0,0,1,0,0|1,0,0]=3
26  B10R1.18  C1CCC(CC1)CC(=O)O BC216390 [1,0,0,1,0,0|0,0,1]=3
27  B10R1.18  C1CCNC(C1)CC(=O)O BC211585 [1,0,0,1,0,0|1,0,1]=4
28  B10R1.18  C1COCCC1CC(=O)O BC677407 [1,0,0,1,0,0|1,0,1]=4
29  B10R1.348  C1CCC(NCC1)C(=O)O BC677014 [1,0,0,1,0,0|1,0,1]=4
30  B10R1.135  CCOC(=O)C1CC1CO BC205201 [1,0,0,1,0,0|1,0,1]=4
31  B10R1.113  C1C(NC(=O)CN1)C(=O)O BC600006 [0,0,0,1,1,0|2,0,0]=4
32  B10R1.113  C1CC(NC(=O)C1)C(=O)O BC215498 [0,0,0,1,1,0|1,0,0]=3
33  B10R1.113  C1[C@H](NC(=O)CN1)C(=O)O BC600023 [0,0,0,1,1,0|2,0,0]=4
34  B12R1.252  C1CCN(CC1)CCCC(=O)O BC657108 [0,1,0,1,0,0|2,0,0]=4
35  B12R1.16  CCOC(=O)C1CCC(=O)CC1 BC206111 [0,1,0,1,0,0|2,0,0]=4
36  B8R0.9  C(CC(=O)O)C(=O)CN BC205541 [1,0,0,0,1,0|1,0,0]=3
37  B8R0.9  C(CC(=O)O)C(=O)CN BC210778 [1,0,0,0,1,0|1,0,0]=3
38  B8R0.5  CCOC(=O)CC(=O)C BC202411 [0,0,0,0,2,0|2,0,0]=4
39  B8R0.5  CCOC(=O)CC(=O)[O-] BC225996 [0,0,0,0,2,0|1,0,1]=4