0 B8R0.23 C=C(C)CC(N)C(=O)O P39089 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.23 C=C(C)C[C@@H](N)C(=O)O O28738 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.23 C=C(C)C[C@H](N)C(=O)O O28733 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.23 CC(=O)N(C)CC(=O)O P37214 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl H-8722 [0,0,0,0,0,0|4,0,0]=4 5 B8R0.23 CC(C)C(N)CC(=O)O M22680 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.23 CC(C)C[C@@H](O)C(=O)O P39959 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.23 CC(C)[C@@H](N)CC(=O)O P38250 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.23 CC(C)[C@@H](N)CC(=O)O Q68993 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.23 CC(C)[C@H](N)CC(=O)O P36212 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.23 CC(C)[C@H](N)CC(=O)O Q68999 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.23 CN(C)C[C@H](N)C(=O)O P43074 [0,0,0,0,0,0|3,0,0]=3 12 B8R0.23 C[C@@H](CC(=O)O)C(=O)O P39685 [0,0,0,0,0,0|2,0,0]=2 13 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Q68990 [0,0,0,0,0,0|2,0,1]=3 14 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Q68992 [0,0,0,0,0,0|2,0,1]=3 15 B7R0.2 CC[C@@H](N)CC(=O)O M23217 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.2 CC[C@H](N)CC(=O)O M23203 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.2 N[C@@H](CO)CC(=O)O Q68983 [1,0,0,0,0,0|1,0,1]=3 18 B7R0.2 N[C@@H](CO)CC(=O)O Q68986 [1,0,0,0,0,0|1,0,1]=3 19 B7R0.2 N[C@H](CO)CC(=O)O Q68987 [1,0,0,0,0,0|1,0,1]=3 20 B7R0.2 N[C@H](CO)CC(=O)O Q68989 [1,0,0,0,0,0|1,0,1]=3 21 B7R0.5 C#CCC(N)C(=O)O P37796 [1,0,0,0,0,0|1,0,1]=3 22 B7R0.5 C#CC[C@@H](N)C(=O)O P39505 [1,0,0,0,0,0|1,0,1]=3 23 B7R0.5 C#CC[C@H](N)C(=O)O P39506 [1,0,0,0,0,0|1,0,1]=3 24 B7R0.5 C=CC[C@@H](N)C(=O)O P37509 [1,0,0,0,0,0|1,0,0]=2 25 B7R0.5 C=CC[C@H](N)C(=O)O O28653 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.5 C=CC[C@H](N)C(=O)O P40769 [1,0,0,0,0,0|1,0,0]=2 27 B7R0.5 CCC[C@H](O)C(=O)O P51274 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.5 COC[C@@H](N)C(=O)O P35719 [1,0,0,0,0,0|2,0,0]=3 29 B7R0.5 COC[C@H](N)C(=O)O P38808 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.5 N[C@@H](CCBr)C(=O)O P41033 [1,0,0,0,0,0|1,0,1]=3 31 B7R0.5 N[C@@H](CCS)C(=O)O A-694 [1,0,0,0,0,0|0,1,1]=3 32 B7R0.6 CC(C)=CCC(=O)O P43260 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.6 O=C(O)CCC(F)F S72753 [1,0,0,0,0,0|2,0,1]=4 34 B9R0.11 CC(C)CC(C)(N)C(=O)O P41237 [0,1,0,0,0,0|2,0,1]=4 35 B9R0.11 CC(C)C[C@](C)(N)C(=O)O Q66110 [0,1,0,0,0,0|2,0,1]=4 36 B9R0.23 COC(=O)[C@@H](C)CC(=O)O Q69085 [0,1,0,0,0,0|2,0,0]=3 37 B9R0.23 COC(=O)[C@@H](O)CC(=O)O H-8313 [0,1,0,0,0,0|2,0,0]=3 38 B9R0.23 COC(=O)[C@H](N)CC(C)C P37232 [0,1,0,0,0,0|2,0,1]=4 39 B9R0.23 COC(=O)[C@H](O)CC(=O)O H-8314 [0,1,0,0,0,0|2,0,0]=3 40 B9R0.39 CC(C)CC(CN)C(=O)O P43094 [0,1,0,0,0,0|2,0,1]=4 41 B9R0.39 CC(C)C[C@@H](CN)C(=O)O Q69039 [0,1,0,0,0,0|2,0,1]=4 42 B9R0.39 CC(C)C[C@@H](CN)C(=O)O Q69042 [0,1,0,0,0,0|2,0,1]=4 43 B9R0.39 CC(C)C[C@H](CN)C(=O)O Q69043 [0,1,0,0,0,0|2,0,1]=4 44 B9R0.39 CC(C)C[C@H](CN)C(=O)O Q69046 [0,1,0,0,0,0|2,0,1]=4 45 B9R0.39 CC[C@@H](NC(C)=O)C(=O)O P38688 [0,1,0,0,0,0|3,0,0]=4 46 B9R0.39 CN[C@@H](CC(C)C)C(=O)O P36732 [0,1,0,0,0,0|2,0,1]=4 47 B9R0.39 CN[C@H](CC(C)C)C(=O)O F-4647 [0,1,0,0,0,0|2,0,1]=4 48 B9R0.42 CC(NC(=O)CN)C(=O)O P35057 [0,1,0,0,0,0|2,0,0]=3 49 B9R0.42 COC(=O)C[C@@H](C)C(=O)O Q69087 [0,1,0,0,0,0|2,0,0]=3 50 B9R0.42 COC(=O)C[C@H](C)C(=O)O Q69083 [0,1,0,0,0,0|2,0,0]=3 51 B9R0.57 CC(C)(C)CC(N)C(=O)O P42786 [0,1,0,0,0,0|2,0,1]=4 52 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O P35494 [0,1,0,0,0,0|2,0,1]=4 53 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O P37339 [0,1,0,0,0,0|2,0,1]=4 54 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O Q68917 [0,1,0,0,0,0|2,0,1]=4 55 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O Q68920 [0,1,0,0,0,0|2,0,1]=4 56 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O Q68921 [0,1,0,0,0,0|2,0,1]=4 57 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O 10450 [0,1,0,0,0,0|2,0,0]=3 58 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 Q52337 [0,0,0,1,0,0|2,0,1]=4 59 B9R1.35 NC1CCC(C(=O)O)C1 G-7403 [0,0,0,1,0,0|2,0,1]=4 60 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 10009 [0,0,0,1,0,0|2,0,1]=4 61 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 F-4734 [0,0,0,1,0,0|2,0,1]=4 62 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 L21283 [0,0,0,1,0,0|2,0,1]=4 63 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 P39234 [0,0,0,1,0,0|1,0,1]=3 64 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 P40794 [0,0,0,1,0,0|1,0,1]=3 65 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 10164 [0,0,0,1,0,0|2,0,1]=4 66 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 P44640 [0,0,0,1,0,0|2,0,1]=4 67 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 L21252 [0,0,0,1,0,0|2,0,1]=4 68 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 Q52275 [0,0,0,1,0,0|2,0,1]=4 69 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 A-335 [0,0,0,1,0,0|1,0,1]=3 70 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 Q61690 [0,0,0,1,0,0|1,0,1]=3 71 B9R1.35 O=C(O)C1CC(Br)=NO1 O32382 [0,0,0,1,0,0|2,0,1]=4 72 B9R1.35 O=C(O)C1C[C@H](O)CN1 A-345 [0,0,0,1,0,0|1,0,2]=4 73 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 A-341 [0,0,0,1,0,0|2,0,1]=4 74 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 G-6984 [0,0,0,1,0,0|2,0,1]=4 75 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 A-344 [0,0,0,1,0,0|1,0,2]=4 76 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 L21815 [0,0,0,1,0,0|1,1,1]=4 77 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 O30697 [0,0,0,1,0,0|1,0,2]=4 78 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 L22413 [0,0,0,1,0,0|1,1,1]=4 79 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 H-8063 [0,0,0,1,0,0|2,0,1]=4 80 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 H-8063-01 [0,0,0,1,0,0|2,0,1]=4 81 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 L13532 [0,0,0,1,0,0|1,0,2]=4 82 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 G-7739 [0,0,0,1,0,0|2,0,1]=4 83 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 P41300 [0,0,0,1,0,0|1,0,2]=4 84 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 P44659 [0,0,0,1,0,0|1,0,2]=4 85 B9R1.35 O=C1CC(C(=O)O)CN1 L13527 [0,0,0,1,0,0|1,0,0]=2 86 B9R1.35 O=C1CCC(C(=O)O)C1 G-6041 [0,0,0,1,0,0|2,0,0]=3 87 B9R1.35 O=C1CCC(C(=O)O)S1 I-9617 [0,0,0,1,0,0|3,0,0]=4 88 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 L13054 [0,0,0,1,0,0|2,0,0]=3 89 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 G-7802 [0,0,0,1,0,0|3,0,0]=4 90 B9R1.35 O=C1CC[C@H](C(=O)O)C1 L13053 [0,0,0,1,0,0|2,0,0]=3 91 B9R1.35 O=C1CNC(C(=O)O)C1 L14145 [0,0,0,1,0,0|1,0,0]=2 92 B9R1.35 O=C1C[C@H](C(=O)O)CN1 L14979 [0,0,0,1,0,0|1,0,0]=2 93 B9R1.35 O=C1NC=C(C(=O)O)N1 O34427 [0,0,0,1,0,0|2,0,1]=4 94 B9R1.35 O=C1NC[C@@H](C(=O)O)N1 L19415 [0,0,0,1,0,0|2,0,0]=3 95 B9R1.55 N[C@H]1[C@@H](C(=O)O)C[C@H]1O P45721 [0,0,0,1,0,0|2,0,1]=4 96 B9R1.55 N[C@H]1[C@@H](O)C[C@H]1C(=O)O P46166 [0,0,0,1,0,0|2,0,1]=4 97 B9R1.112 NC(CC1CC1)C(=O)O O28074 [0,0,0,1,0,0|2,0,1]=4 98 B9R1.112 N[C@@H](CC1CC1)C(=O)O O28950 [0,0,0,1,0,0|2,0,1]=4 99 B9R1.112 N[C@H](CC1CC1)C(=O)O O28870 [0,0,0,1,0,0|2,0,1]=4 100 B9R1.152 C=C1CC(C)(C(=O)O)C1 L18189 [0,0,0,1,0,0|3,0,0]=4 101 B9R1.152 C=C1CC(N)(C(=O)O)C1 P45998 [0,0,0,1,0,0|2,0,0]=3 102 B9R1.152 C=C1CC(O)(C(=O)O)C1 Q53353 [0,0,0,1,0,0|3,0,0]=4 103 B9R1.152 CC1(C(=O)O)CC(=O)C1 G-7323 [0,0,0,1,0,0|2,0,0]=3 104 B9R1.152 CC1(C(=O)O)CC(N)C1 P46878 [0,0,0,1,0,0|2,0,1]=4 105 B9R1.152 CC1CC(N)(C(=O)O)C1 P47365 [0,0,0,1,0,0|2,0,1]=4 106 B9R1.152 C[C@]1(C(=O)O)C[C@@H](N)C1 I-9804 [0,0,0,1,0,0|2,0,1]=4 107 B9R1.152 C[C@]1(C(=O)O)C[C@@H](N)C1 P43910 [0,0,0,1,0,0|2,0,1]=4 108 B9R1.152 C[C@]1(C(=O)O)C[C@H](N)C1 G-5884 [0,0,0,1,0,0|2,0,1]=4 109 B9R1.152 C[C@]1(C(=O)O)C[C@H](N)C1 P48427 [0,0,0,1,0,0|2,0,1]=4 110 B9R1.152 NC1(C(=O)O)CC(F)C1 L21448 [0,0,0,1,0,0|2,0,1]=4 111 B9R1.152 NC1(C(=O)O)CC(O)C1 L21397 [0,0,0,1,0,0|1,0,2]=4 112 B9R1.152 NC1CC(F)(C(=O)O)C1 P48244 [0,0,0,1,0,0|2,0,1]=4 113 B9R1.152 N[C@]1(C(=O)O)C[C@@H](F)C1 P45945 [0,0,0,1,0,0|2,0,1]=4 114 B9R1.152 N[C@]1(C(=O)O)C[C@@H](O)C1 P46053 [0,0,0,1,0,0|1,0,2]=4 115 B9R1.152 N[C@]1(C(=O)O)C[C@H](F)C1 P44861 [0,0,0,1,0,0|2,0,1]=4 116 B9R1.152 N[C@]1(C(=O)O)C[C@H](O)C1 P46625 [0,0,0,1,0,0|1,0,2]=4 117 B9R1.152 O=C1CC(F)(C(=O)O)C1 P46018 [0,0,0,1,0,0|2,0,0]=3 118 B9R1.161 NC(=O)C1CC1C(=O)O L22401 [0,0,0,1,0,0|1,0,0]=2 119 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Q70062 [0,0,0,1,0,0|2,0,0]=3 120 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O L14135 [0,0,0,1,0,0|2,0,0]=3 121 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O L14179 [0,0,0,1,0,0|2,0,0]=3 122 B9R1.164 O=C(O)C1CS(=O)(=O)C1 H-8018 [0,0,0,1,0,0|3,0,0]=4 123 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O P39382 [0,0,0,0,1,0|1,0,2]=4 124 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O Q70089 [0,0,0,0,1,0|1,0,2]=4 125 B9R0.7 CC(C)=CCC(N)C(=O)O O28923 [0,0,0,0,0,1|2,0,0]=3 126 B9R0.7 CC(C)=CC[C@@H](N)C(=O)O O28478 [0,0,0,0,0,1|2,0,0]=3 127 B9R0.7 CC(C)=CC[C@H](N)C(=O)O O28749 [0,0,0,0,0,1|2,0,0]=3 128 B9R0.7 CC(C)CC[C@@H](N)C(=O)O P41429 [0,0,0,0,0,1|2,0,1]=4 129 B9R0.7 CC(C)CC[C@H](N)C(=O)O M22613 [0,0,0,0,0,1|2,0,1]=4 130 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O O28917 [0,0,0,0,0,1|2,0,0]=3 131 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Q68973 [0,0,0,0,0,1|2,0,1]=4 132 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Q68975 [0,0,0,0,0,1|2,0,1]=4 133 B9R0.53 CC(C)C[C@H](N)CC(=O)O P39532 [0,0,0,0,0,1|2,0,1]=4 134 B9R0.53 CC(C)C[C@H](N)CC(=O)O Q68972 [0,0,0,0,0,1|2,0,1]=4 135 B9R0.53 CN(CC(=O)O)CC(=O)O M22809 [0,0,0,0,0,1|3,0,0]=4 136 B9R0.53 NC(CC(=O)O)CC(=O)O Q68959 [0,0,0,0,0,1|1,0,0]=2 137 B9R0.53 NC(CC(=O)O)CC(=O)O Q68962 [0,0,0,0,0,1|1,0,0]=2 138 B6R0.2 CC(O)CC(=O)O P38963 [2,0,0,0,0,0|2,0,0]=4 139 B6R0.2 C[C@@H](N)CC(=O)O P38442 [2,0,0,0,0,0|1,0,1]=4 140 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [2,0,0,0,0,0|1,0,1]=4 141 B6R0.2 C[C@@H](O)CC(=O)O P36990 [2,0,0,0,0,0|2,0,0]=4 142 B6R0.2 C[C@H](N)CC(=O)O P38443 [2,0,0,0,0,0|1,0,1]=4 143 B6R0.2 C[C@H](O)CC(=O)O P37046 [2,0,0,0,0,0|2,0,0]=4 144 B6R0.4 CNCCC(=O)O P36779 [2,0,0,0,0,0|2,0,0]=4 145 B6R0.4 CNCCC(=O)O P39205 [2,0,0,0,0,0|2,0,0]=4 146 B6R0.4 CNCCC(N)=O P37896 [2,0,0,0,0,0|2,0,0]=4 147 B6R0.4 O=CNCC(=O)O P39379 [2,0,0,0,0,0|1,0,0]=3 148 B6R0.3 C=C[C@@H](C)C(=O)O H-8974 [2,0,0,0,0,0|1,0,1]=4 149 B6R0.3 C=C[C@H](C)C(=O)O H-8989 [2,0,0,0,0,0|1,0,1]=4 150 B6R0.3 CCC(N)C(N)=O P35312 [2,0,0,0,0,0|1,0,1]=4 151 B6R0.3 CC[C@@H](Br)C(=O)O P45858 [2,0,0,0,0,0|1,0,1]=4 152 B6R0.3 CC[C@@H](O)C(=O)O P40022 [2,0,0,0,0,0|1,0,1]=4 153 B6R0.3 CC[C@H](Br)C(=O)O P45751 [2,0,0,0,0,0|1,0,1]=4 154 B6R0.3 CC[C@H](O)C(=O)O P38746 [2,0,0,0,0,0|1,0,1]=4 155 B6R0.3 C[C@@H](CN)C(=O)O Q69056 [2,0,0,0,0,0|1,0,0]=3 156 B6R0.3 C[C@@H](CN)C(=O)O Q69059 [2,0,0,0,0,0|1,0,0]=3 157 B6R0.3 C[C@H](CN)C(=O)O Q69061 [2,0,0,0,0,0|1,0,0]=3 158 B6R0.3 C[C@H](CN)C(=O)O Q69064 [2,0,0,0,0,0|1,0,0]=3 159 B6R0.3 C[C@H](CO)C(=O)O 10021 [2,0,0,0,0,0|1,0,1]=4 160 B6R0.3 NCC(N)C(=O)O P37494 [2,0,0,0,0,0|0,0,0]=2 161 B6R0.3 NCC(O)C(=O)O O28965 [2,0,0,0,0,0|1,0,0]=3 162 B6R0.3 NC[C@@H](O)C(=O)O 10685 [2,0,0,0,0,0|1,0,0]=3 163 B6R0.3 NC[C@H](N)C(=O)O P40075 [2,0,0,0,0,0|0,0,0]=2 164 B8R0.5 C=CC[C@@H](N)CC(=O)O Q69101 [1,1,0,0,0,0|2,0,0]=4 165 B8R0.3 C#CC[C@@H](N)C(=O)OC Q65834 [1,1,0,0,0,0|1,0,1]=4 166 B8R0.3 C#CC[C@H](N)C(=O)OC P40730 [1,1,0,0,0,0|1,0,1]=4 167 B8R0.3 CCCC(N)C(=O)OC P43113 [1,1,0,0,0,0|1,0,1]=4 168 B8R0.8 C#CCCC(N)C(=O)O P39732 [1,1,0,0,0,0|1,0,1]=4 169 B8R0.8 C=CCCC(N)C(=O)O P40793 [1,1,0,0,0,0|1,0,0]=3 170 B8R0.8 C=CCCC(N)C(N)=O Q65911 [1,1,0,0,0,0|2,0,0]=4 171 B8R0.8 C=CCC[C@@H](N)C(=O)O P42941 [1,1,0,0,0,0|1,0,0]=3 172 B8R0.8 C=CCC[C@H](N)C(=O)O P35206 [1,1,0,0,0,0|1,0,0]=3 173 B8R0.8 CC#CC[C@@H](N)C(=O)O Q65835 [1,1,0,0,0,0|1,0,1]=4 174 B8R0.8 CC#CC[C@H](N)C(=O)O Q65833 [1,1,0,0,0,0|1,0,1]=4 175 B8R0.8 C[Se]CC[C@H](N)C(=O)O P38844 [1,1,0,0,0,0|0,1,1]=4 176 B8R0.8 N[C@H](CCCO)C(=O)O P37057 [1,1,0,0,0,0|0,0,2]=4 177 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O M22741 [1,1,0,0,0,0|1,0,1]=4 178 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O P40814 [1,1,0,0,0,0|1,0,1]=4 179 B8R0.15 C=CCC(CC)C(=O)O Q69583 [1,1,0,0,0,0|2,0,0]=4 180 B8R0.15 CCC[C@@H](NC)C(=O)O P36548 [1,1,0,0,0,0|1,0,1]=4 181 B8R0.15 CCC[C@H](NC)C(=O)O P40204 [1,1,0,0,0,0|1,0,1]=4 182 B8R0.9 C=CC(N)CCC(=O)O M15322 [1,1,0,0,0,0|1,0,1]=4 183 B8R0.9 COC(=O)CNC(C)=O P42621 [1,1,0,0,0,0|2,0,0]=4 184 B8R0.9 NCC(=O)CCC(=O)O P37517 [1,1,0,0,0,0|0,0,0]=2 185 B10R0.43 O=C(O)CCC(F)(F)C(=O)O M23513 [0,1,0,0,0,1|2,0,0]=4 186 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O O28689 [0,1,0,0,0,1|1,0,0]=3 187 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O O28056 [0,1,0,0,0,1|2,0,0]=4 188 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O L22106 [0,1,0,0,0,1|1,0,0]=3 189 B8R1.1 O=C1CC(CO)CN1 M22864 [1,0,0,1,0,0|1,0,1]=4 190 B8R1.4 NC1CCNC(=O)C1 C-2485 [1,0,0,1,0,0|1,0,1]=4 191 B8R1.4 NC1COCC(=O)C1 P46448 [1,0,0,1,0,0|1,0,1]=4 192 B8R1.4 NC1COCC(=O)C1 Q61511 [1,0,0,1,0,0|1,0,1]=4 193 B8R1.31 NC(=O)C1CCC1N F-4228 [1,0,0,1,0,0|1,0,1]=4 194 B8R1.31 NC1COC1C(=O)O Q56135 [1,0,0,1,0,0|1,0,1]=4 195 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O Q52861 [1,0,0,1,0,0|1,0,1]=4 196 B8R1.31 N[C@@H]1CO[C@H]1C(=O)O Q52863 [1,0,0,1,0,0|1,0,1]=4 197 B8R1.31 N[C@@H]1CO[C@H]1C(=O)O Q54778 [1,0,0,1,0,0|1,0,1]=4 198 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O Q52864 [1,0,0,1,0,0|1,0,1]=4 199 B8R1.31 N[C@H]1CO[C@H]1C(=O)O Q52862 [1,0,0,1,0,0|1,0,1]=4 200 B8R1.31 N[C@H]1CO[C@H]1C(=O)O Q54777 [1,0,0,1,0,0|1,0,1]=4 201 B8R1.7 O=C(O)C1CC=CC1 G-6381 [1,0,0,1,0,0|2,0,0]=4 202 B8R1.7 O=C(O)C1CCNC1 G-5249 [1,0,0,1,0,0|1,0,1]=4 203 B8R1.7 O=C(O)[C@@H]1C=CCN1 P39990 [1,0,0,1,0,0|1,0,1]=4 204 B8R1.7 O=C(O)[C@@H]1CCCN1 L13796 [1,0,0,1,0,0|1,0,1]=4 205 B8R1.7 O=C(O)[C@@H]1CCNC1 L18435 [1,0,0,1,0,0|1,0,1]=4 206 B8R1.7 O=C(O)[C@@H]1CCNC1 Q51834 [1,0,0,1,0,0|1,0,1]=4 207 B8R1.7 O=C(O)[C@H]1C=CCN1 M22943 [1,0,0,1,0,0|1,0,1]=4 208 B8R1.7 O=C(O)[C@H]1CCNC1 G-5250 [1,0,0,1,0,0|1,0,1]=4 209 B8R1.7 O=C(O)[C@H]1CCNC1 P45277 [1,0,0,1,0,0|1,0,1]=4 210 B8R1.23 C=C1CC(C(=O)O)C1 D-2502 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.23 NC1CC(C(=O)O)C1 G-7780 [1,0,0,1,0,0|1,0,1]=4 212 B8R1.23 NC1CC(C(=O)O)C1 P47808 [1,0,0,1,0,0|1,0,1]=4 213 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 C-2277 [1,0,0,1,0,0|1,0,1]=4 214 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 C-2277-1 [1,0,0,1,0,0|1,0,1]=4 215 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 C-2278 [1,0,0,1,0,0|1,0,1]=4 216 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P44571 [1,0,0,1,0,0|1,0,1]=4 217 B8R1.23 O=C1CC(C(=O)O)C1 D-2503 [1,0,0,1,0,0|1,0,0]=3 218 B8R1.23 O=C1CC(C(=O)O)N1 P34768 [1,0,0,1,0,0|0,0,0]=2 219 B8R1.23 O=C1CC(C(=O)O)O1 P44894 [1,0,0,1,0,0|1,0,0]=3 220 B8R1.23 O=C1C[C@@H](C(=O)O)N1 I-9933 [1,0,0,1,0,0|0,0,0]=2 221 B8R1.23 O=C1C[C@H](C(=O)O)N1 I-9634 [1,0,0,1,0,0|0,0,0]=2 222 B8R1.54 NC(C(=O)O)C1CC1 O27895 [1,0,0,1,0,0|1,0,1]=4 223 B8R1.54 N[C@@H](C(=O)O)C1CC1 G-5951 [1,0,0,1,0,0|1,0,1]=4 224 B8R1.54 N[C@H](C(=O)O)C1CC1 O28968 [1,0,0,1,0,0|1,0,1]=4 225 B8R1.78 CC1(C(=O)O)CCN1 P50169 [1,0,0,1,0,0|1,0,1]=4 226 B8R1.78 NC1(C(=O)O)CCC1 G-7616 [1,0,0,1,0,0|1,0,1]=4 227 B8R1.78 NC1(C(=O)O)CCC1 L13534 [1,0,0,1,0,0|1,0,1]=4 228 B8R1.78 NC1(C(=O)O)CNC1 C-3611 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.78 NC1(C(=O)O)COC1 C-3395 [1,0,0,1,0,0|2,0,0]=4 230 B8R1.78 NC1(C(=O)O)CSC1 Q56475 [1,0,0,1,0,0|2,0,0]=4 231 B8R1.78 NC1(C(=O)O)CSC1 Q56476 [1,0,0,1,0,0|2,0,0]=4 232 B8R1.3 O=C1CCC(=O)NC1 Q52611 [1,0,0,1,0,0|1,0,0]=3 233 B8R1.3 O=C1CCC(=O)OC1 K12424 [1,0,0,1,0,0|1,0,0]=3 234 B8R1.3 O=C1CC[C@H](O)CN1 Q52728 [1,0,0,1,0,0|1,0,1]=4 235 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53540 [0,0,0,1,1,0|1,0,1]=4 236 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53541 [0,0,0,1,1,0|1,0,1]=4 237 B10R1.13 O=C1CCC(C(=O)O)CC1 F-4452 [0,0,0,1,0,1|2,0,0]=4 238 B10R1.13 O=C1CCC(C(=O)O)CN1 C-3651 [0,0,0,1,0,1|1,0,0]=3 239 B10R1.13 O=C1CCC(C(=O)O)NC1 F-4380 [0,0,0,1,0,1|1,0,0]=3 240 B10R1.13 O=C1CCC(C(=O)O)NC1 M23652 [0,0,0,1,0,1|1,0,0]=3 241 B10R1.13 O=C1CC[C@@H](C(=O)O)CN1 Q55736 [0,0,0,1,0,1|1,0,0]=3 242 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 Q55039 [0,0,0,1,0,1|1,0,0]=3 243 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 Q55040 [0,0,0,1,0,1|1,0,0]=3 244 B10R1.13 O=C1CC[C@H](C(=O)O)CN1 Q55737 [0,0,0,1,0,1|1,0,0]=3 245 B10R1.13 O=C1CC[C@H](C(=O)O)NC1 Q55041 [0,0,0,1,0,1|1,0,0]=3 246 B10R1.13 O=C1CC[C@H](C(=O)O)NC1 Q55042 [0,0,0,1,0,1|1,0,0]=3 247 B10R1.349 CC(=O)C1CC(C(=O)O)C1 P44908 [0,0,0,1,0,1|2,0,0]=4 248 B10R1.349 CC(=O)N1CC(C(=O)O)C1 H-8219 [0,0,0,1,0,1|2,0,0]=4 249 B10R1.349 O=C(O)C1CC(C(=O)O)C1 H-8210 [0,0,0,1,0,1|2,0,0]=4 250 B10R1.349 O=C(O)[C@H]1C[C@@H](C(=O)O)C1 H-8211 [0,0,0,1,0,1|2,0,0]=4 251 B10R1.349 O=C(O)[C@H]1C[C@H](C(=O)O)C1 H-8212 [0,0,0,1,0,1|2,0,0]=4 252 B10R1.349 O=C(O)[C@H]1C[C@H](C(=O)O)N1 P49358 [0,0,0,1,0,1|1,0,0]=3 253 B10R1.470 CC1(C(=O)O)CCC(=O)C1 Q56977 [0,0,0,1,0,1|2,0,0]=4 254 B10R1.470 C[C@@]1(C(=O)O)CCC(=O)N1 Q64030 [0,0,0,1,0,1|1,0,0]=3 255 B10R1.470 C[C@]1(C(=O)O)CCC(=O)N1 Q64038 [0,0,0,1,0,1|1,0,0]=3 256 B10R1.54 O=C(O)CC1=CC(=O)NN1 F-4542 [0,0,0,1,0,1|0,0,2]=4 257 B10R1.54 O=C(O)CC1CNC(=O)C1 Q64480 [0,0,0,1,0,1|1,0,0]=3 258 B10R1.54 O=C(O)C[C@@H]1CNC(=O)C1 Q64481 [0,0,0,1,0,1|1,0,0]=3 259 B10R1.54 O=C(O)C[C@H]1CNC(=O)C1 Q64484 [0,0,0,1,0,1|1,0,0]=3 260 B10R1.14 COC(=O)C1CCC(=O)C1 G-6549 [0,1,0,1,0,0|2,0,0]=4 261 B10R1.14 COC(=O)C1CNC(=O)C1 G-7599 [0,1,0,1,0,0|1,0,0]=3 262 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 L13047 [0,1,0,1,0,0|2,0,0]=4 263 B10R1.14 COC(=O)[C@@H]1CNC(=O)C1 Q55618 [0,1,0,1,0,0|1,0,0]=3 264 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 L13046 [0,1,0,1,0,0|2,0,0]=4 265 B10R1.14 COC(=O)[C@H]1CNC(=O)C1 Q55617 [0,1,0,1,0,0|1,0,0]=3 266 B10R1.408 COC(=O)C1CC1C(=O)O L21970 [0,1,0,1,0,0|2,0,0]=4 267 B10R1.408 COC(=O)[C@@H]1C[C@@H]1C(=O)O L14730 [0,1,0,1,0,0|2,0,0]=4 268 B10R1.408 COC(=O)[C@@H]1C[C@H]1C(=O)O L22356 [0,1,0,1,0,0|2,0,0]=4 269 B10R1.424 COC(=O)C1(C)CC(=O)C1 G-7348 [0,1,0,1,0,0|2,0,0]=4 270 B10R1.424 COC(=O)C1(F)CC(=O)C1 P46118 [0,1,0,1,0,0|2,0,0]=4 271 B10R1.113 O=C1CC(C(=O)O)CCN1 G-5564 [0,1,0,1,0,0|1,0,0]=3 272 B10R1.113 O=C1CCCC(C(=O)O)C1 P47766 [0,1,0,1,0,0|2,0,0]=4 273 B10R1.113 O=C1CCC[C@@H](C(=O)O)C1 P46177 [0,1,0,1,0,0|2,0,0]=4 274 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 P46176 [0,1,0,1,0,0|2,0,0]=4 275 B10R1.113 O=C1CCNC(C(=O)O)C1 Q55043 [0,1,0,1,0,0|1,0,0]=3 276 B10R1.113 O=C1CCNC(C(=O)O)C1 S72456 [0,1,0,1,0,0|1,0,0]=3 277 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 M23516 [0,1,0,1,0,0|1,0,0]=3 278 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 M23534 [0,1,0,1,0,0|1,0,0]=3 279 B10R1.113 O=C1CCOC(C(=O)O)C1 Q61442 [0,1,0,1,0,0|2,0,0]=4 280 B10R1.361 NC(=O)C1CCC1C(=O)O P44845 [0,1,0,1,0,0|1,0,0]=3 281 B10R1.361 O=C(O)C1CCC1C(=O)O O33301 [0,1,0,1,0,0|2,0,0]=4 282 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O L21503 [0,1,0,1,0,0|2,0,0]=4 283 B10R1.361 O=C(O)[C@H]1CC[C@H]1C(=O)O H-8622 [0,1,0,1,0,0|2,0,0]=4 284 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O Q68964 [0,0,0,0,0,2|1,0,0]=3 285 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O Q68966 [0,0,0,0,0,2|1,0,0]=3 286 B10R0.98 N=C(N)NCC[C@H](N)C(=O)O 10676 [0,0,0,0,0,2|1,0,0]=3