0 B8R0.9 C(CC(=O)O)C(=O)CN BC205541 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.9 C(CC(=O)O)C(=O)CN BC210778 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.4 C(CCBr)CC(=O)Cl BC681280 [1,0,0,0,0,0|2,0,1]=4 3 B7R0.4 C(CCBr)CC(=O)O BC220689 [1,0,0,0,0,0|1,0,1]=3 4 B7R0.4 C(CCO)CC(=O)[O-] BC621003 [1,0,0,0,0,0|1,0,2]=4 5 B7R0.6 CC(=O)CCC(=O)O BC216409 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.6 C[S+](C)CCC(=O)O BC215874 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.7 C(CC(=O)O)C(=O)C(=O)O BC206209 [0,1,0,0,0,0|2,0,1]=4 8 B9R0.7 C(CC(=O)O)C(C(=O)O)N BC223742 [0,1,0,0,0,0|1,0,0]=2 9 B9R0.7 C(CC(=O)O)C(C(=O)O)N BC687511 [0,1,0,0,0,0|1,0,0]=2 10 B9R0.7 CC(=O)OC[C@@H](C(=O)O)N BC657158 [0,1,0,0,0,0|3,0,0]=4 11 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)F BC678396 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O BC228051 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)S BC649894 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O BC211262 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O BC600062 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.35 C1[C@H](C=C[C@@H]1N)C(=O)O BC638831 [0,0,0,1,0,0|0,0,0]=1 17 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)F BC207720 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O BC205527 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O BC202599 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O BC676715 [0,0,0,1,0,0|2,0,1]=4 21 B7R0.2 CC[C@@H](C)CC(=O)O BC223684 [0,0,0,0,1,0|1,0,2]=4 22 B7R0.2 CC[C@H](C)CC(=O)O BC676870 [0,0,0,0,1,0|1,0,2]=4 23 B7R0.2 CC[C@H](CC(=O)O)N BC227919 [0,0,0,0,1,0|0,0,2]=3 24 B6R0.4 C(CC(=O)O)C#N BC670380 [2,0,0,0,0,0|0,0,2]=4 25 B6R0.4 C(CC(=O)O)CBr BC219750 [2,0,0,0,0,0|1,0,0]=3 26 B6R0.4 C(CC(=O)O)CN BC204189 [2,0,0,0,0,0|0,0,0]=2 27 B6R0.4 C=CCCC(=O)O BC678220 [2,0,0,0,0,0|0,0,0]=2 28 B6R0.4 C=CCOC(=O)Cl BC676725 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.4 CC(=O)OCC=C BC219433 [2,0,0,0,0,0|2,0,0]=4 30 B8R0.5 C=CC[C@H](CC(=O)O)N BC675393 [1,1,0,0,0,0|0,0,0]=2 31 B8R0.7 C(CCC(=O)O)CCBr BC206267 [1,1,0,0,0,0|0,0,2]=4 32 B8R0.7 C(CCC(=O)O)CCN BC204341 [1,1,0,0,0,0|0,0,2]=4 33 B8R0.28 C(C(=O)O)NCC(=O)O BC657268 [1,1,0,0,0,0|2,0,0]=4 34 B8R0.23 CC(C)C[C@@H](C(=O)O)N BC201485 [1,1,0,0,0,0|1,0,1]=4 35 B10R0.98 C(C[C@H](C(=O)O)N)CC(=O)O BC275520 [0,1,0,0,0,1|1,0,0]=3 36 B8R1.1 C1CC(=O)N[C@H]1CO BC676884 [1,0,0,1,0,0|1,0,1]=4 37 B8R1.7 C1C=CCC1C(=O)O BC226569 [1,0,0,1,0,0|0,0,2]=4 38 B8R1.7 C1C=C[C@H](N1)C(=O)O BC676801 [1,0,0,1,0,0|1,0,0]=3 39 B8R1.7 C1CC(OC1)C(=O)O BC226570 [1,0,0,1,0,0|1,0,1]=4 40 B8R1.7 C1CNCC1C(=O)O BC202146 [1,0,0,1,0,0|1,0,1]=4 41 B8R1.7 C1CNC[C@@H]1C(=O)O BC677876 [1,0,0,1,0,0|1,0,1]=4 42 B8R1.7 C1CNC[C@H]1C(=O)O BC202147 [1,0,0,1,0,0|1,0,1]=4 43 B8R1.7 C1COC[C@H]1C(=O)O BC677393 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.7 C1C[C@@H](OC1)C(=O)O BC209033 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.7 C1C[C@H](NC1)C(=O)O BC689080 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N BC233488 [1,0,0,1,0,0|0,0,1]=3 47 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N BC670712 [1,0,0,1,0,0|0,0,1]=3 48 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O BC645886 [0,0,0,1,0,1|0,0,2]=4 49 B10R1.54 CC(=O)O[C@@H]1C[C@@H](C=C1)O BC205530 [0,0,0,1,0,1|2,0,0]=4 50 B10R1.349 C1C(CC1C(=O)O)C(=O)O BC667349 [0,1,0,1,0,0|2,0,0]=4 51 B10R1.66 c1c([nH]cn1)CCC(=O)O BC244534 [0,1,0,1,0,0|0,0,1]=3 52 B6R0.2 CC(C)CC(=O)O BC677309 [1,0,0,0,1,0|1,0,1]=4 53 B6R0.2 CC(CC(=O)O)N BC233414 [1,0,0,0,1,0|0,0,1]=3 54 B6R0.2 CC(CC(=O)O)N BC675902 [1,0,0,0,1,0|0,0,1]=3 55 B6R0.2 C[C@@H](CC(=O)O)N BC227921 [1,0,0,0,1,0|0,0,1]=3 56 B6R0.2 C[C@H](CC(=O)O)N BC677178 [1,0,0,0,1,0|0,0,1]=3 57 B6R0.3 C(C(C(=O)O)N)N BC202898 [0,0,0,0,2,0|1,0,1]=4 58 B6R0.3 C(C(C(=O)O)N)O BC205416 [0,0,0,0,2,0|1,0,1]=4 59 B6R0.3 C([C@@H](C(=O)O)N)O BC676679 [0,0,0,0,2,0|1,0,1]=4 60 B6R0.3 C([C@@H](C(=O)O)N)S BC205188 [0,0,0,0,2,0|1,0,1]=4 61 B6R0.3 C([C@@H](C(=O)O)N)S BC679165 [0,0,0,0,2,0|1,0,1]=4 62 B6R0.3 C([C@H](C(=O)O)N)O BC676713 [0,0,0,0,2,0|1,0,1]=4 63 B6R0.3 C([C@H](C(=O)O)N)S BC677524 [0,0,0,0,2,0|1,0,1]=4 64 B6R0.3 C=C[C@@H](C(=O)O)N BC280882 [0,0,0,0,2,0|0,0,0]=2 65 B6R0.3 C=C[C@H](C(=O)O)N BC640608 [0,0,0,0,2,0|0,0,0]=2 66 B6R0.3 CC[C@@H](C(=O)O)N BC221729 [0,0,0,0,2,0|0,0,2]=4 67 B6R0.3 CC[C@H](C(=O)O)N BC681077 [0,0,0,0,2,0|0,0,2]=4