0 B8R0.9 CC(=O)OCC(=O)C=C AB16085 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.1 C1CC(=O)CCC1C=O AB21200 [0,0,0,1,0,0|3,0,0]=4 2 B9R1.35 C1=C(N=CC1N)C(=O)O AB43641 [0,0,0,1,0,0|1,0,2]=4 3 B9R1.35 C1=NC(=NC1N)C(=O)O AB07902 [0,0,0,1,0,0|2,0,1]=4 4 B9R1.35 C1CC(CC1C(=O)O)N PB32983 [0,0,0,1,0,0|0,0,2]=3 5 B9R1.35 C1C[C@@H](C[C@@H]1C(=O)O)N MB00932 [0,0,0,1,0,0|0,0,2]=3 6 B9R1.35 C1C[C@H](C[C@@H]1C(=O)O)N PB39081 [0,0,0,1,0,0|0,0,2]=3 7 B9R1.35 C1C[C@H](C[C@H]1C(=O)O)N PB37995 [0,0,0,1,0,0|0,0,2]=3 8 B9R1.35 C1[C@@H](C=C[C@@H]1N)C(=O)O MB00931 [0,0,0,1,0,0|0,0,0]=1 9 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)F AB12545 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O MB00510 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)S PB10959 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O AB44957 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)F AB12544 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O AB02585 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O AB00391 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O PB26480 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.35 C[C@@H]1C[C@@H](NC1)C(=O)O AB31640 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.35 C[C@H]1C[C@H](NC1)C(=O)O AB42905 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.35 c1cc(sc1C(=O)O)N MB07244 [0,0,0,1,0,0|1,0,2]=4 20 B9R1.69 C1CC(=O)NC(=O)C1N PB14928 [0,0,0,1,0,0|2,0,0]=3 21 B9R1.95 C1C(CC1C(=O)O)CN PB35806 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.95 C1C(CC1C(=O)O)CO PB10714 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.95 COC1CC(C1)C(=O)O PB16064 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.95 CO[C@H]1C[C@@H](C1)C(=O)O PB37294 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.95 CO[C@H]1C[C@H](C1)C(=O)O PB16996 [0,0,0,1,0,0|2,0,1]=4 26 B7R0.2 CCC(CC(=O)O)N AB01525 [0,0,0,0,1,0|0,0,2]=3 27 B6R0.4 C#CCCC(=O)O CB10019 [2,0,0,0,0,0|0,0,2]=4 28 B8R0.5 CCCC(CC(=O)O)N AB01975 [1,1,0,0,0,0|0,0,2]=4 29 B10R0.98 CC(=O)OCC[C@@H](C(=O)O)N AB30649 [0,1,0,0,0,1|2,0,0]=4 30 B8R1.1 C1CC(=O)NC1CN AB28123 [1,0,0,1,0,0|1,0,1]=4 31 B8R1.1 C1CC(=O)N[C@@H]1CCl MB07054 [1,0,0,1,0,0|1,0,1]=4 32 B8R1.1 C1CC(=O)N[C@@H]1CN AB28507 [1,0,0,1,0,0|1,0,1]=4 33 B8R1.1 C1CC(=O)N[C@H]1CCl MB06934 [1,0,0,1,0,0|1,0,1]=4 34 B8R1.1 C1CC(=O)N[C@H]1CN AB28509 [1,0,0,1,0,0|1,0,1]=4 35 B8R1.1 C1CC(=O)N[C@H]1CO AB02985 [1,0,0,1,0,0|1,0,1]=4 36 B8R1.3 C1CC(=O)CCC1N AB26267 [1,0,0,1,0,0|0,0,2]=4 37 B8R1.3 C1CC(=O)NCC1N PB22229 [1,0,0,1,0,0|1,0,1]=4 38 B8R1.50 C1CN(C(=O)C1N)O AB02803 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.4 C1CC(=CC(=O)C1)I MB07038 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.4 C1CNC(=O)OC1=O AB27597 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.7 C1C=CCC1C(=O)O PB14124 [1,0,0,1,0,0|0,0,2]=4 42 B8R1.7 C1CCC(C1)C(=O)O AB00138 [1,0,0,1,0,0|0,0,2]=4 43 B8R1.7 C1CNCC1C(=O)O PB19915 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.7 C1CNC[C@@H]1C(=O)O PB16017 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.7 C1CNC[C@H]1C(=O)O PB10622 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.7 C1COC=C1C(=O)O PB26262 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.7 C1COC[C@@H]1C(=O)O PB15879 [1,0,0,1,0,0|1,0,1]=4 48 B8R1.7 C1COC[C@H]1C(=O)O PB26265 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.7 C1C[C@@H](NC1)C(=O)O AB02582 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.31 C1CN(C1C(=O)O)N MB69364 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.34 C1C(CN1)CC(=O)O PB17729 [1,0,0,1,0,0|1,0,1]=4 52 B8R1.34 C1C(CO1)CC(=O)O PB15407 [1,0,0,1,0,0|1,0,1]=4 53 B8R1.23 C1C(CC1Cl)C(=O)O PB13057 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.23 C1C(CC1F)C(=O)O PB20399 [1,0,0,1,0,0|1,0,1]=4 55 B8R1.23 C1C(CC1O)C(=O)O PB26416 [1,0,0,1,0,0|1,0,1]=4 56 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N PB12385 [1,0,0,1,0,0|0,0,1]=3 57 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N PB25257 [1,0,0,1,0,0|0,0,1]=3 58 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)O PB34748 [1,0,0,1,0,0|1,0,1]=4 59 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N PB21941 [1,0,0,1,0,0|0,0,1]=3 60 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N PB31884 [1,0,0,1,0,0|0,0,1]=3 61 B8R1.23 C1[C@@H](NC1=O)C(=O)O PB27000 [1,0,0,1,0,0|1,0,1]=4 62 B8R1.23 C1[C@H](NC1=O)C(=O)O PB21715 [1,0,0,1,0,0|1,0,1]=4 63 B8R1.23 C=C1CC(C1)C(=O)O PB25975 [1,0,0,1,0,0|1,0,1]=4 64 B8R1.23 CC1CC(C1)C(=O)O PB21154 [1,0,0,1,0,0|1,0,1]=4 65 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O PB24101 [1,0,0,1,0,0|1,0,1]=4 66 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O PB24098 [1,0,0,1,0,0|1,0,1]=4 67 B8R1.77 C1C(C1(F)F)C(=O)O AB20620 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.77 CC1(CC1C(=O)O)C AB21127 [1,0,0,1,0,0|1,0,1]=4 69 B10R1.13 C1[C@@H](CC[C@@H](C1)N)C(=O)O PB10129 [0,0,0,1,0,1|0,0,2]=4 70 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O PB21681 [0,0,0,1,0,1|0,0,2]=4 71 B10R1.54 C1CN(CC1N)CC(=O)O AB29043 [0,0,0,1,0,1|0,0,2]=4 72 B10R1.54 C1CN(C[C@@H]1N)CC(=O)O AB29040 [0,0,0,1,0,1|0,0,2]=4 73 B10R1.54 C1CN(C[C@H]1N)CC(=O)O AB29038 [0,0,0,1,0,1|0,0,2]=4 74 B10R1.54 CC(=O)O[C@@H]1C[C@@H](C=C1)O PB32133 [0,0,0,1,0,1|2,0,0]=4 75 B10R1.83 CC1(C(CC1N)C(=O)O)C PB35717 [0,1,0,1,0,0|0,0,2]=4 76 B10R1.83 CC1([C@@H](C[C@@H]1N)C(=O)O)C PB36525 [0,1,0,1,0,0|0,0,2]=4 77 B10R1.83 CC1([C@H](C[C@@H]1N)C(=O)O)C PB39190 [0,1,0,1,0,0|0,0,2]=4 78 B10R1.66 C1C=CN=C1CCC(=O)O CB11077 [0,1,0,1,0,0|0,0,2]=4 79 B10R1.66 c1cn(cn1)CCC(=O)O AB12684 [0,1,0,1,0,0|1,0,1]=4 80 B6R0.3 C([C@H](C(=O)O)N)S AB02703 [0,0,0,0,2,0|1,0,1]=4 81 B6R0.3 CCC(C(=O)O)N AB00928 [0,0,0,0,2,0|0,0,2]=4