0 B7R0.16 CC(C(=O)O)N(C)C P40714 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.16 CC(C)[C@@H](O)C(=O)O P40530 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O P39382 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O Q70089 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.2 CC(=O)NC(C)C P50955 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.2 CC(C)C[C@@H](C)O Q70085 [1,0,0,0,0,0|1,0,1]=3 6 B6R0.2 CC(O)CC(=O)O P38963 [1,0,0,0,0,0|1,0,0]=2 7 B6R0.2 CN(C)CC(N)=O P36935 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.2 C[C@@H](N)CC(=O)O P38442 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [1,0,0,0,0,0|1,0,0]=2 10 B6R0.2 C[C@@H](O)CC(=O)O P36990 [1,0,0,0,0,0|1,0,0]=2 11 B6R0.2 C[C@H](N)CC(=O)O P38443 [1,0,0,0,0,0|1,0,0]=2 12 B6R0.2 C[C@H](O)CC(=O)O P37046 [1,0,0,0,0,0|1,0,0]=2 13 B6R0.3 C=C[C@@H](C)C(=O)O H-8974 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.3 C=C[C@H](C)C(=O)O H-8989 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.3 CC(C)C(C)NN P42479 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.3 CC(C)C(O)CN P40479 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.3 CC(C)[C@@H](N)CO L13788 [1,0,0,0,0,0|0,0,1]=2 18 B6R0.3 CCC(N)C(C)O L20519 [1,0,0,0,0,0|1,0,1]=3 19 B6R0.3 CCC(N)C(N)=O P35312 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.3 CC[C@@H](Br)C(=O)O P45858 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.3 CC[C@@H](O)C(=O)O P40022 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.3 CC[C@H](Br)C(=O)O P45751 [1,0,0,0,0,0|1,0,0]=2 23 B6R0.3 CC[C@H](O)C(=O)O P38746 [1,0,0,0,0,0|1,0,0]=2 24 B6R0.3 CNC(C)C(N)=O P41317 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.3 CO[C@@H](C)C(=O)O I-9183 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.3 C[C@@H](CN)C(=O)O Q69056 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.3 C[C@@H](CN)C(=O)O Q69059 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.3 C[C@H](CN)C(=O)O Q69061 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.3 C[C@H](CN)C(=O)O Q69064 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.3 C[C@H](CO)C(=O)O 10021 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.3 C\C=C(/F)C(=O)O F-4310 [1,0,0,0,0,0|1,0,2]=4 32 B6R0.3 NCC(N)C(=O)O P37494 [1,0,0,0,0,0|1,0,0]=2 33 B6R0.3 NCC(O)C(=O)O O28965 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.3 NC[C@@H](O)C(=O)O 10685 [1,0,0,0,0,0|2,0,0]=3 35 B6R0.3 NC[C@H](N)C(=O)O P40075 [1,0,0,0,0,0|1,0,0]=2 36 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O O28696 [0,1,0,0,0,0|0,0,0]=1 37 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O O28455 [0,1,0,0,0,0|0,0,0]=1 38 B8R0.2 CNC(=O)C(N)C(C)C P40222 [0,1,0,0,0,0|1,0,0]=2 39 B8R0.2 CNC(=O)[C@@H](N)C(C)C Q66204 [0,1,0,0,0,0|1,0,0]=2 40 B8R0.18 CC(C)[C@@H](CN)C(=O)O Q69066 [0,1,0,0,0,0|0,0,0]=1 41 B8R0.18 CC(C)[C@@H](CN)C(=O)O Q69069 [0,1,0,0,0,0|0,0,0]=1 42 B8R0.18 CC(C)[C@H](CN)C(=O)O Q69070 [0,1,0,0,0,0|0,0,0]=1 43 B8R0.18 CC(C)[C@H](CN)C(=O)O Q69073 [0,1,0,0,0,0|0,0,0]=1 44 B8R0.18 CNC(C(=O)O)C(C)C P39309 [0,1,0,0,0,0|0,0,0]=1 45 B8R0.18 CN[C@H](C(=O)O)C(C)C P40211 [0,1,0,0,0,0|0,0,0]=1 46 B8R0.27 CC(C)(C)C(O)C(=O)O M23224 [0,1,0,0,0,0|1,0,0]=2 47 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O P39602 [0,1,0,0,0,0|1,0,0]=2 48 B8R0.27 CC(C)(C)[C@H](O)C(=O)O P39705 [0,1,0,0,0,0|1,0,0]=2 49 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O Q68942 [0,1,0,0,0,0|0,0,0]=1 50 B8R0.27 CC(C)(O)[C@H](N)C(=O)O Q68916 [0,1,0,0,0,0|0,0,0]=1 51 B8R0.27 CC(C)(S)C(N)C(=O)O Q68947 [0,1,0,0,0,0|0,0,0]=1 52 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O I-9879 [0,1,0,0,0,0|0,0,0]=1 53 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Q68945 [0,1,0,0,0,0|0,0,0]=1 54 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Q68949 [0,1,0,0,0,0|0,0,0]=1 55 B8R0.27 CC(C)C(N)C(F)(F)F F-4079 [0,1,0,0,0,0|2,0,1]=4 56 B8R0.27 CC(C)C(O)S(=O)(=O)[O-] L19971 [0,1,0,0,0,0|2,0,1]=4 57 B8R0.27 NC(C(=O)O)C(F)(F)F P44707 [0,1,0,0,0,0|2,0,0]=3 58 B8R0.37 CC(C)C(C)(O)C(=O)O Q69152 [0,1,0,0,0,0|1,0,0]=2 59 B8R0.37 CC(C)[C@@](C)(N)C(=O)O Q68939 [0,1,0,0,0,0|0,0,0]=1 60 B8R0.37 CC(C)[C@](C)(N)C(=O)O Q68936 [0,1,0,0,0,0|0,0,0]=1 61 B8R0.37 CN(C)C(C)(C)C(=O)O P34770 [0,1,0,0,0,0|2,0,0]=3 62 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C P50610 [0,0,0,1,0,0|2,0,0]=3 63 B8R1.31 CC(=O)[C@H]1CC[C@H]1C P45662 [0,0,0,1,0,0|2,0,0]=3 64 B8R1.31 CC1CCC1C(=O)O P45629 [0,0,0,1,0,0|1,0,0]=2 65 B8R1.31 CC1NCC1C(=O)O L22133 [0,0,0,1,0,0|2,0,0]=3 66 B8R1.31 CN1CCC1C(=O)O P49637 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.31 CN1CC[C@@H]1C(=O)O H-8820 [0,0,0,1,0,0|2,0,0]=3 68 B8R1.31 CN1CC[C@H]1C(=O)O H-8821 [0,0,0,1,0,0|2,0,0]=3 69 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O L14485 [0,0,0,1,0,0|0,0,0]=1 70 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O P50093 [0,0,0,1,0,0|2,0,0]=3 71 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O K13449 [0,0,0,1,0,0|2,0,0]=3 72 B8R1.31 NC(=O)C1CCC1N F-4228 [0,0,0,1,0,0|3,0,0]=4 73 B8R1.31 NC1CCC1C(=O)O P47809 [0,0,0,1,0,0|2,0,0]=3 74 B8R1.31 NC1COC1C(=O)O Q56135 [0,0,0,1,0,0|2,0,0]=3 75 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O P45363 [0,0,0,1,0,0|2,0,0]=3 76 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O L13901 [0,0,0,1,0,0|2,0,0]=3 77 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O P44744 [0,0,0,1,0,0|2,0,0]=3 78 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O P45102 [0,0,0,1,0,0|2,0,0]=3 79 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O Q52861 [0,0,0,1,0,0|2,0,0]=3 80 B8R1.31 N[C@@H]1CO[C@H]1C(=O)O Q52863 [0,0,0,1,0,0|2,0,0]=3 81 B8R1.31 N[C@@H]1CO[C@H]1C(=O)O Q54778 [0,0,0,1,0,0|2,0,0]=3 82 B8R1.31 N[C@H]1CC[C@H]1C(=O)O L21391 [0,0,0,1,0,0|2,0,0]=3 83 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P45103 [0,0,0,1,0,0|2,0,0]=3 84 B8R1.31 N[C@H]1CC[C@H]1C(=O)O Q53487 [0,0,0,1,0,0|2,0,0]=3 85 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O Q52864 [0,0,0,1,0,0|2,0,0]=3 86 B8R1.31 N[C@H]1CO[C@H]1C(=O)O Q52862 [0,0,0,1,0,0|2,0,0]=3 87 B8R1.31 N[C@H]1CO[C@H]1C(=O)O Q54777 [0,0,0,1,0,0|2,0,0]=3 88 B8R1.31 O=C(O)C1CCC1F P47126 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.31 O=C(O)C1CCC1O P49194 [0,0,0,1,0,0|2,0,0]=3 90 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O P48368 [0,0,0,1,0,0|2,0,0]=3 91 B8R1.50 CC1C(=O)CCN1C Q52697 [0,0,0,1,0,0|3,0,0]=4 92 B8R1.50 C[C@@H]1CC[C@@H](O)[C@H]1N Q53610 [0,0,0,1,0,0|1,0,1]=3 93 B8R1.50 C[C@H]1CC[C@H](O)[C@@H]1N Q53609 [0,0,0,1,0,0|1,0,1]=3 94 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53540 [0,0,0,1,0,0|2,0,0]=3 95 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53541 [0,0,0,1,0,0|2,0,0]=3 96 B8R1.54 NC(=O)C(N)C1CC1 L20769 [0,0,0,1,0,0|1,0,0]=2 97 B8R1.54 NC(C(=O)O)C1CC1 O27895 [0,0,0,1,0,0|0,0,0]=1 98 B8R1.54 N[C@@H](C(=O)O)C1CC1 G-5951 [0,0,0,1,0,0|0,0,0]=1 99 B8R1.54 N[C@H](C(=O)O)C1CC1 O28968 [0,0,0,1,0,0|0,0,0]=1 100 B8R1.77 O=C(O)C1CC1(F)Cl P44593 [0,0,0,1,0,0|3,0,0]=4 101 B8R1.77 O=C(O)C1CC1(F)F L14556 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.77 O=C(O)[C@@H]1CC1(F)F L14727 [0,0,0,1,0,0|3,0,0]=4 103 B8R1.87 CC1(C)C(N)C1(C)C Q69622 [0,0,0,1,0,0|2,0,1]=4 104 B8R0.23 C=C(C)CC(N)C(=O)O P39089 [0,0,0,0,0,1|0,0,2]=3 105 B8R0.23 C=C(C)C[C@@H](N)C(=O)O O28738 [0,0,0,0,0,1|0,0,2]=3 106 B8R0.23 C=C(C)C[C@H](N)C(=O)O O28733 [0,0,0,0,0,1|0,0,2]=3 107 B8R0.23 CC(C)C(N)CC(=O)O M22680 [0,0,0,0,0,1|0,0,0]=1 108 B8R0.23 CC(C)C(N)CN(C)C P36129 [0,0,0,0,0,1|3,0,0]=4 109 B8R0.23 CC(C)C[C@@H](O)C(=O)O P39959 [0,0,0,0,0,1|1,0,0]=2 110 B8R0.23 CC(C)N(C)CC(=O)O P42706 [0,0,0,0,0,1|2,0,0]=3 111 B8R0.23 CC(C)[C@@H](N)CC(=O)O P38250 [0,0,0,0,0,1|0,0,0]=1 112 B8R0.23 CC(C)[C@@H](N)CC(=O)O Q68993 [0,0,0,0,0,1|0,0,0]=1 113 B8R0.23 CC(C)[C@@H](N)CN(C)C P37903 [0,0,0,0,0,1|3,0,0]=4 114 B8R0.23 CC(C)[C@H](N)CC(=O)O P36212 [0,0,0,0,0,1|0,0,0]=1 115 B8R0.23 CC(C)[C@H](N)CC(=O)O Q68999 [0,0,0,0,0,1|0,0,0]=1 116 B8R0.23 CC(C)[C@H](N)CN(C)C P35834 [0,0,0,0,0,1|3,0,0]=4 117 B8R0.23 CC(C)\C=C(/F)C(=O)O F-4311 [0,0,0,0,0,1|1,0,1]=3 118 B8R0.23 CN(C)C[C@H](N)C(=O)O P43074 [0,0,0,0,0,1|1,0,0]=2 119 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Q68990 [0,0,0,0,0,1|1,0,0]=2 120 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Q68992 [0,0,0,0,0,1|1,0,0]=2 121 B5R0.1 CC(N)CCO P39048 [2,0,0,0,0,0|1,0,1]=4 122 B5R0.1 C[C@@H](N)CCO F-4752 [2,0,0,0,0,0|1,0,1]=4 123 B5R0.1 C[C@H](N)CCO F-4570 [2,0,0,0,0,0|1,0,1]=4 124 B5R0.1 O=C(O)CCF A-698 [2,0,0,0,0,0|1,0,0]=3 125 B5R0.5 CC(C)S(N)=O O29745 [2,0,0,0,0,0|1,0,0]=3 126 B5R0.5 CC(N)C(C)O P38125 [2,0,0,0,0,0|1,0,1]=4 127 B5R0.5 CC(N)C(N)=O P37963 [2,0,0,0,0,0|1,0,0]=3 128 B5R0.5 CC(O)C(N)=O P39940 [2,0,0,0,0,0|1,0,1]=4 129 B5R0.5 C[C@@H](O)C(N)=O P37171 [2,0,0,0,0,0|1,0,1]=4 130 B7R0.2 C#CC(=O)OC(C)C S86242 [1,1,0,0,0,0|2,0,0]=4 131 B7R0.2 C=CC(=O)CC(C)C L19279 [1,1,0,0,0,0|1,0,0]=3 132 B7R0.2 CC(C)NC(=O)CBr P36229 [1,1,0,0,0,0|2,0,0]=4 133 B7R0.2 CC(C)NC(=O)CN P36647 [1,1,0,0,0,0|2,0,0]=4 134 B7R0.2 CC(C)NC(=O)CN P37073 [1,1,0,0,0,0|2,0,0]=4 135 B7R0.2 CCC(=O)CC(=O)O P43007 [1,1,0,0,0,0|1,0,1]=4 136 B7R0.2 CC[C@@H](N)CC(=O)O M23217 [1,1,0,0,0,0|1,0,0]=3 137 B7R0.2 CC[C@H](N)CC(=O)O M23203 [1,1,0,0,0,0|1,0,0]=3 138 B7R0.2 CNC(=O)CC(=O)O P38150 [1,1,0,0,0,0|1,0,1]=4 139 B7R0.2 COC(=O)CC(C)N P41489 [1,1,0,0,0,0|1,0,0]=3 140 B7R0.2 COC(=O)CN(C)C P36457 [1,1,0,0,0,0|1,0,0]=3 141 B7R0.2 COC(=O)C[C@@H](C)N Q68958 [1,1,0,0,0,0|1,0,0]=3 142 B7R0.2 NCC(O)CC(=O)O P35068 [1,1,0,0,0,0|1,0,0]=3 143 B7R0.2 N[C@@H](CO)CC(=O)O Q68983 [1,1,0,0,0,0|1,0,0]=3 144 B7R0.2 N[C@@H](CO)CC(=O)O Q68986 [1,1,0,0,0,0|1,0,0]=3 145 B7R0.2 N[C@H](CO)CC(=O)O Q68987 [1,1,0,0,0,0|1,0,0]=3 146 B7R0.2 N[C@H](CO)CC(=O)O Q68989 [1,1,0,0,0,0|1,0,0]=3 147 B7R0.9 O=C(O)CC(F)(F)F P39355 [1,1,0,0,0,0|2,0,0]=4 148 B7R0.5 C#CCC(N)C(=O)O P37796 [1,1,0,0,0,0|0,0,1]=3 149 B7R0.5 C#CC[C@@H](N)C(=O)O P39505 [1,1,0,0,0,0|0,0,1]=3 150 B7R0.5 C#CC[C@H](N)C(=O)O P39506 [1,1,0,0,0,0|0,0,1]=3 151 B7R0.5 C=CC[C@@H](N)C(=O)O P37509 [1,1,0,0,0,0|0,0,1]=3 152 B7R0.5 C=CC[C@H](N)C(=O)O O28653 [1,1,0,0,0,0|0,0,1]=3 153 B7R0.5 C=CC[C@H](N)C(=O)O P40769 [1,1,0,0,0,0|0,0,1]=3 154 B7R0.5 CC(C)[C@H](N)CCO Q69023 [1,1,0,0,0,0|0,0,1]=3 155 B7R0.5 CCC[C@H](O)C(=O)O P51274 [1,1,0,0,0,0|1,0,0]=3 156 B7R0.5 CCNC(C)C(=O)O P36832 [1,1,0,0,0,0|1,0,0]=3 157 B7R0.5 CCN[C@@H](C)C(=O)O P36816 [1,1,0,0,0,0|1,0,0]=3 158 B7R0.5 CCN[C@H](C)C(=O)O P35138 [1,1,0,0,0,0|1,0,0]=3 159 B7R0.5 CCOC(=O)C(=O)O P37044 [1,1,0,0,0,0|1,0,1]=4 160 B7R0.5 COC[C@@H](N)C(=O)O P35719 [1,1,0,0,0,0|0,0,0]=2 161 B7R0.5 COC[C@H](N)C(=O)O P38808 [1,1,0,0,0,0|0,0,0]=2 162 B7R0.5 N[C@@H](CCBr)C(=O)O P41033 [1,1,0,0,0,0|0,0,0]=2 163 B7R0.5 N[C@@H](CCS)C(=O)O A-694 [1,1,0,0,0,0|0,0,0]=2 164 B7R0.10 CN[C@@H](C)C(=O)OC P40007 [1,1,0,0,0,0|2,0,0]=4 165 B7R0.10 COC(=O)C(C)CN P35475 [1,1,0,0,0,0|2,0,0]=4 166 B7R0.10 COC(=O)[C@@H](N)CN P41137 [1,1,0,0,0,0|1,0,0]=3 167 B7R0.13 CC(C)(CN)C(=O)O P40193 [1,1,0,0,0,0|2,0,0]=4 168 B7R0.13 CCC(C)(N)C(=O)O P37187 [1,1,0,0,0,0|0,0,0]=2 169 B7R0.13 CC[C@@](C)(N)C(=O)O Q68927 [1,1,0,0,0,0|0,0,0]=2 170 B7R0.13 CC[C@](C)(N)C(=O)O Q68924 [1,1,0,0,0,0|0,0,0]=2 171 B7R0.13 CNC(C)(C)C(=O)O P39308 [1,1,0,0,0,0|2,0,0]=4 172 B7R0.13 C[C@@](N)(CO)C(=O)O Q68933 [1,1,0,0,0,0|1,0,0]=3 173 B7R0.13 C[C@](N)(CO)C(=O)O Q68930 [1,1,0,0,0,0|1,0,0]=3 174 B7R0.13 NCC(F)(F)C(=O)O H-8196 [1,1,0,0,0,0|2,0,0]=4 175 B7R0.14 CC(C)(C)C(N)CO P38365 [1,1,0,0,0,0|0,0,1]=3 176 B7R0.14 CC(C)(C)[C@@H](N)CO H-8828 [1,1,0,0,0,0|0,0,1]=3 177 B7R0.14 CC(C)(C)[C@H](N)CO P42613 [1,1,0,0,0,0|0,0,1]=3 178 B7R0.15 CCC(CO)C(C)C K16110 [1,1,0,0,0,0|1,0,1]=4 179 B7R0.15 CCC(NC)C(=O)O P42253 [1,1,0,0,0,0|0,0,0]=2 180 B7R0.15 NC[C@@H](CO)C(=O)O Q69031 [1,1,0,0,0,0|1,0,0]=3 181 B7R0.15 NC[C@@H](CO)C(=O)O Q69034 [1,1,0,0,0,0|1,0,0]=3 182 B7R0.15 NC[C@H](CO)C(=O)O Q69035 [1,1,0,0,0,0|1,0,0]=3 183 B7R0.15 NC[C@H](CO)C(=O)O Q69038 [1,1,0,0,0,0|1,0,0]=3 184 B9R0.11 CC(C)CC(C)(N)C(=O)O P41237 [0,1,0,0,0,1|0,0,0]=2 185 B9R0.11 CC(C)C[C@](C)(N)C(=O)O Q66110 [0,1,0,0,0,1|0,0,0]=2 186 B9R0.11 CN(C)CC(C)(C)C(=O)O P41833 [0,1,0,0,0,1|2,0,0]=4 187 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Q68967 [0,1,0,0,0,1|0,0,0]=2 188 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Q68970 [0,1,0,0,0,1|0,0,0]=2 189 B9R0.23 COC(=O)[C@H](N)CC(C)C P37232 [0,1,0,0,0,1|0,0,0]=2 190 B9R0.23 COC(=O)[C@H](O)CC(C)C P42599 [0,1,0,0,0,1|1,0,0]=3 191 B9R0.39 CC(C)CC(CN)C(=O)O P43094 [0,1,0,0,0,1|0,0,0]=2 192 B9R0.39 CC(C)C[C@@H](CN)C(=O)O Q69039 [0,1,0,0,0,1|0,0,0]=2 193 B9R0.39 CC(C)C[C@@H](CN)C(=O)O Q69042 [0,1,0,0,0,1|0,0,0]=2 194 B9R0.39 CC(C)C[C@H](CN)C(=O)O Q69043 [0,1,0,0,0,1|0,0,0]=2 195 B9R0.39 CC(C)C[C@H](CN)C(=O)O Q69046 [0,1,0,0,0,1|0,0,0]=2 196 B9R0.39 CC(C)\C=C(/C#N)C(=O)O K12223 [0,1,0,0,0,1|0,0,2]=4 197 B9R0.39 CN[C@@H](CC(C)C)C(=O)O P36732 [0,1,0,0,0,1|0,0,0]=2 198 B9R0.39 CN[C@H](CC(C)C)C(=O)O F-4647 [0,1,0,0,0,1|0,0,0]=2 199 B9R0.42 COC(=O)C[C@H](N)C(C)C Q68995 [0,1,0,0,0,1|0,0,0]=2 200 B9R0.57 CC(C)(C)CC(N)C(=O)O P42786 [0,1,0,0,0,1|0,0,0]=2 201 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O P35494 [0,1,0,0,0,1|0,0,0]=2 202 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O P37339 [0,1,0,0,0,1|0,0,0]=2 203 B9R0.57 CC(NC(C)(C)C)C(=O)O L19939 [0,1,0,0,0,1|1,0,0]=3 204 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O Q68917 [0,1,0,0,0,1|0,0,0]=2 205 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O Q68920 [0,1,0,0,0,1|0,0,0]=2 206 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O Q68921 [0,1,0,0,0,1|0,0,0]=2 207 B9R0.6 CCNC(=O)C(N)C(C)C P42121 [0,2,0,0,0,0|1,0,0]=3 208 B9R0.25 COC(=O)C(N)C(C)(C)C P39601 [0,2,0,0,0,0|0,0,0]=2 209 B9R0.25 COC(=O)C(N)C(F)(F)F O30347 [0,2,0,0,0,0|2,0,0]=4 210 B9R0.25 COC(=O)[C@H](N)C(C)(C)C P40707 [0,2,0,0,0,0|0,0,0]=2 211 B9R0.29 CN[C@H](C(=O)OC)[C@@H](C)O P34826 [0,2,0,0,0,0|1,0,0]=3 212 B9R0.32 C=CC(C)(C)[C@H](N)C(=O)O L18738 [0,2,0,0,0,0|0,0,0]=2 213 B9R0.41 CCC(CC)C(N)C(=O)O M22686 [0,2,0,0,0,0|0,0,0]=2 214 B9R0.41 CCC(CC)[C@@H](N)C(=O)O P41265 [0,2,0,0,0,0|0,0,0]=2 215 B9R0.41 CCC(CC)[C@H](N)C(=O)O P41266 [0,2,0,0,0,0|0,0,0]=2 216 B9R0.54 CC(C)[C@H](C(=O)O)N(C)C P35286 [0,2,0,0,0,0|0,0,0]=2 217 B9R0.72 CC(C)(C)C(CN)C(=O)O M23308 [0,2,0,0,0,0|0,0,0]=2 218 B9R0.72 CC(C)(C)[C@@H](CN)C(=O)O Q69008 [0,2,0,0,0,0|0,0,0]=2 219 B9R0.72 CC(C)(C)[C@H](CN)C(=O)O Q69010 [0,2,0,0,0,0|0,0,0]=2 220 B7R1.2 CC1=NC(C)CO1 M15289 [1,0,0,1,0,0|2,0,0]=4 221 B7R1.2 CC1CNC(=O)C1 L13710 [1,0,0,1,0,0|1,0,0]=3 222 B7R1.2 CC1CNC(=O)O1 P51279 [1,0,0,1,0,0|2,0,0]=4 223 B7R1.2 C[C@@H]1CNC(=O)C1 L22301 [1,0,0,1,0,0|1,0,0]=3 224 B7R1.2 C[C@@H]1CNC(=O)O1 P42625 [1,0,0,1,0,0|2,0,0]=4 225 B7R1.2 C[C@H]1CNC(=O)C1 L18264 [1,0,0,1,0,0|1,0,0]=3 226 B7R1.2 NC1CNC(=O)C1 G-6478 [1,0,0,1,0,0|2,0,0]=4 227 B7R1.2 NC1CNC(=O)C1 L13560 [1,0,0,1,0,0|2,0,0]=4 228 B7R1.2 N[C@@H]1CNC(=O)C1 L13184 [1,0,0,1,0,0|2,0,0]=4 229 B7R1.2 N[C@@H]1CNC(=O)C1 P44245 [1,0,0,1,0,0|2,0,0]=4 230 B7R1.2 N[C@H]1CNC(=O)C1 L13183 [1,0,0,1,0,0|2,0,0]=4 231 B7R1.2 O=C1CC(O)CN1 P39299 [1,0,0,1,0,0|2,0,0]=4 232 B7R1.2 O=C1CCC(Br)C1 Q56972 [1,0,0,1,0,0|2,0,0]=4 233 B7R1.2 O=C1CCC(F)C1 Q55724 [1,0,0,1,0,0|2,0,0]=4 234 B7R1.2 O=C1CCC(O)C1 H-8145 [1,0,0,1,0,0|2,0,0]=4 235 B7R1.2 O=C1C[C@@H](O)CN1 M22799 [1,0,0,1,0,0|2,0,0]=4 236 B7R1.2 O=C1C[C@@H](S)CN1 I-9138 [1,0,0,1,0,0|2,0,0]=4 237 B7R1.12 CC1CC1C(=O)Cl O31612 [1,0,0,1,0,0|1,0,0]=3 238 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P44059 [1,0,0,1,0,0|0,0,0]=2 239 B7R1.12 C[C@@H]1C[C@H]1C(=O)O L22375 [1,0,0,1,0,0|0,0,0]=2 240 B7R1.12 C[C@H]1C[C@H]1C(=O)O O33127 [1,0,0,1,0,0|0,0,0]=2 241 B7R1.12 O=C(O)C1CC1F Q52394 [1,0,0,1,0,0|1,0,0]=3 242 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F K10809 [1,0,0,1,0,0|1,0,0]=3 243 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33126 [1,0,0,1,0,0|1,0,0]=3 244 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33327 [1,0,0,1,0,0|1,0,0]=3 245 B7R1.12 O=C(O)[C@H]1C[C@@H]1F O33229 [1,0,0,1,0,0|1,0,0]=3 246 B7R1.12 O=C(O)[C@H]1C[C@H]1F K10802 [1,0,0,1,0,0|1,0,0]=3 247 B7R1.16 CC1(C)CC(=O)C1 L21874 [1,0,0,1,0,0|1,0,0]=3 248 B7R1.16 CC1(C)CC(=O)N1 P45568 [1,0,0,1,0,0|1,0,0]=3 249 B7R1.16 CC1(C)CC(O)C1 L21464 [1,0,0,1,0,0|1,0,1]=4 250 B7R1.16 CC1(N)CC(=O)C1 O33169 [1,0,0,1,0,0|2,0,0]=4 251 B7R1.20 CC(O)CC1CC1 O29763 [1,0,0,1,0,0|1,0,1]=4 252 B7R1.20 O=C(Cl)CC1CC1 Q54347 [1,0,0,1,0,0|1,0,0]=3 253 B7R1.20 O=C(O)CC1CC1 F-4292 [1,0,0,1,0,0|0,0,0]=2 254 B7R1.20 O=C(O)CC1CO1 P45743 [1,0,0,1,0,0|1,0,0]=3 255 B7R1.4 CC1CCNC1=O O30375 [1,0,0,1,0,0|2,0,0]=4 256 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53279 [1,0,0,1,0,0|1,0,1]=4 257 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53280 [1,0,0,1,0,0|1,0,1]=4 258 B7R1.4 C[C@@H]1CCNC1=O Q61716 [1,0,0,1,0,0|2,0,0]=4 259 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61701 [1,0,0,1,0,0|1,0,1]=4 260 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61702 [1,0,0,1,0,0|1,0,1]=4 261 B7R1.4 C[C@@H]1COC[C@H]1N F-4262 [1,0,0,1,0,0|0,0,1]=3 262 B7R1.4 C[C@H]1CCC[C@@H]1N Q53277 [1,0,0,1,0,0|1,0,1]=4 263 B7R1.4 C[C@H]1CCC[C@@H]1N Q53278 [1,0,0,1,0,0|1,0,1]=4 264 B7R1.4 C[C@H]1CCNC1=O Q61658 [1,0,0,1,0,0|2,0,0]=4 265 B7R1.4 C[C@H]1COC[C@@H]1N L13875 [1,0,0,1,0,0|0,0,1]=3 266 B7R1.4 NC1CCCC1O F-4442 [1,0,0,1,0,0|1,0,1]=4 267 B7R1.4 NC1CCNC1=O F-4440 [1,0,0,1,0,0|1,0,0]=3 268 B7R1.4 NN1CCCC1=O P51102 [1,0,0,1,0,0|2,0,0]=4 269 B7R1.4 N[C@@H]1CCC[C@@H]1O F-4443 [1,0,0,1,0,0|1,0,1]=4 270 B7R1.4 N[C@@H]1CCC[C@@H]1O F-4445 [1,0,0,1,0,0|1,0,1]=4 271 B7R1.4 N[C@@H]1CCC[C@H]1O F-4450 [1,0,0,1,0,0|1,0,1]=4 272 B7R1.4 N[C@@H]1CCC[C@H]1O I-9382 [1,0,0,1,0,0|1,0,1]=4 273 B7R1.4 N[C@@H]1CCNC1=O F-4458 [1,0,0,1,0,0|1,0,0]=3 274 B7R1.4 N[C@@H]1COC[C@@H]1N G-7625 [1,0,0,1,0,0|1,0,1]=4 275 B7R1.4 N[C@@H]1COC[C@@H]1N L14037 [1,0,0,1,0,0|1,0,1]=4 276 B7R1.4 N[C@@H]1COC[C@H]1N G-7624 [1,0,0,1,0,0|1,0,1]=4 277 B7R1.4 N[C@@H]1COC[C@H]1O H-8080 [1,0,0,1,0,0|1,0,1]=4 278 B7R1.4 N[C@H]1CCC[C@@H]1O F-4444 [1,0,0,1,0,0|1,0,1]=4 279 B7R1.4 N[C@H]1CCC[C@@H]1O F-4447 [1,0,0,1,0,0|1,0,1]=4 280 B7R1.4 N[C@H]1CCC[C@@H]1O F-4448 [1,0,0,1,0,0|1,0,1]=4 281 B7R1.4 N[C@H]1CCC[C@H]1O F-4446 [1,0,0,1,0,0|1,0,1]=4 282 B7R1.4 N[C@H]1CCC[C@H]1O F-4449 [1,0,0,1,0,0|1,0,1]=4 283 B7R1.4 N[C@H]1CCC[C@H]1O Q52258 [1,0,0,1,0,0|1,0,1]=4 284 B7R1.4 N[C@H]1CCNC1=O F-4459 [1,0,0,1,0,0|1,0,0]=3 285 B7R1.4 N[C@H]1CCNC1=O L14236 [1,0,0,1,0,0|1,0,0]=3 286 B7R1.4 N[C@H]1COC[C@@H]1N G-6892 [1,0,0,1,0,0|1,0,1]=4 287 B7R1.4 N[C@H]1COC[C@@H]1N G-7623 [1,0,0,1,0,0|1,0,1]=4 288 B7R1.4 N[C@H]1COC[C@@H]1O F-4615 [1,0,0,1,0,0|1,0,1]=4 289 B7R1.4 N[C@H]1COC[C@@H]1O H-8081 [1,0,0,1,0,0|1,0,1]=4 290 B7R1.4 N[C@H]1COC[C@H]1O L22268 [1,0,0,1,0,0|1,0,1]=4 291 B7R1.4 N[C@H]1COC[C@H]1O P45710 [1,0,0,1,0,0|1,0,1]=4 292 B7R1.4 O=C1CCCC1O Q61720 [1,0,0,1,0,0|2,0,0]=4 293 B7R1.4 O=C1NCCC1Br O31241 [1,0,0,1,0,0|2,0,0]=4 294 B7R1.4 O=C1NCCC1F Q62170 [1,0,0,1,0,0|2,0,0]=4 295 B7R1.4 O=C1NCCC1O D-2532 [1,0,0,1,0,0|2,0,0]=4 296 B7R1.4 O=C1NCC[C@@H]1F Q63592 [1,0,0,1,0,0|2,0,0]=4 297 B7R1.4 O=C1NCC[C@@H]1O F-4184 [1,0,0,1,0,0|2,0,0]=4 298 B7R1.4 O=C1NCC[C@H]1F Q63593 [1,0,0,1,0,0|2,0,0]=4 299 B7R1.4 O=C1NCC[C@H]1O O30124 [1,0,0,1,0,0|2,0,0]=4 300 B7R1.8 CC1CCC1CO P48346 [1,0,0,1,0,0|1,0,1]=4 301 B7R1.15 C[C@@H]1NC(=O)[C@H]1N 10677 [1,0,0,1,0,0|1,0,0]=3 302 B7R1.15 C[C@@H]1NC(=O)[C@H]1N 10678 [1,0,0,1,0,0|1,0,0]=3 303 B7R1.17 CC1(C)NCC1N P44080 [1,0,0,1,0,0|1,0,1]=4 304 B7R1.17 CC1(C)NCC1N P48748 [1,0,0,1,0,0|1,0,1]=4 305 B7R1.17 CC1(C)OCC1Br Q52792 [1,0,0,1,0,0|1,0,1]=4 306 B7R1.17 CC1(C)OCC1I Q52793 [1,0,0,1,0,0|1,0,1]=4 307 B7R1.17 CC1(C)OCC1N Q52791 [1,0,0,1,0,0|0,0,1]=3 308 B7R1.17 CC1(C)OCC1O Q52790 [1,0,0,1,0,0|1,0,1]=4 309 B7R1.17 CC1(C)SCC1N Q58807 [1,0,0,1,0,0|0,1,1]=4 310 B7R1.17 CC1(C)SCC1N Q58808 [1,0,0,1,0,0|0,1,1]=4 311 B7R1.17 CC1(C)SC[C@H]1N Q58818 [1,0,0,1,0,0|0,1,1]=4 312 B7R1.18 CC(=O)C1CCC1 Q54751 [1,0,0,1,0,0|2,0,0]=4 313 B7R1.18 CC(C)C1CCN1 P45191 [1,0,0,1,0,0|1,0,1]=4 314 B7R1.18 CC(C)C1CCN1 P48185 [1,0,0,1,0,0|1,0,1]=4 315 B7R1.18 NC(=O)C1CCC1 O34470 [1,0,0,1,0,0|2,0,0]=4 316 B7R1.18 NC(=O)C1CCN1 O28301 [1,0,0,1,0,0|1,0,0]=3 317 B7R1.18 O=C(O)C1CCN1 B-1112 [1,0,0,1,0,0|0,0,0]=2 318 B7R1.18 O=C(O)C1CCO1 D-2702 [1,0,0,1,0,0|1,0,0]=3 319 B7R1.18 O=C(O)C1CNC1 A-422 [1,0,0,1,0,0|2,0,0]=4 320 B7R1.18 O=C(O)C1CNC1 P42961 [1,0,0,1,0,0|2,0,0]=4 321 B7R1.18 O=C(O)C1COC1 A-970 [1,0,0,1,0,0|2,0,0]=4 322 B7R1.18 O=C(O)C1CSC1 H-8019 [1,0,0,1,0,0|2,0,0]=4 323 B7R1.18 O=C(O)[C@@H]1CCN1 B-1110 [1,0,0,1,0,0|0,0,0]=2 324 B7R1.18 O=C(O)[C@@H]1CCN1 P46195 [1,0,0,1,0,0|0,0,0]=2 325 B7R1.18 O=C(O)[C@@H]1CCO1 Q62698 [1,0,0,1,0,0|1,0,0]=3 326 B7R1.18 O=C(O)[C@H]1CCN1 B-1109 [1,0,0,1,0,0|0,0,0]=2 327 B7R1.18 O=C(O)[C@H]1CCN1 P45364 [1,0,0,1,0,0|0,0,0]=2 328 B7R1.18 O=C(O)[C@H]1CCO1 Q62699 [1,0,0,1,0,0|1,0,0]=3 329 B7R1.19 CC1(C(=O)Cl)CC1 L13117 [1,0,0,1,0,0|2,0,0]=4 330 B7R1.19 CC1(C(=O)O)CC1 G-6948 [1,0,0,1,0,0|1,0,0]=3 331 B7R1.19 CC1(C(N)=O)CC1 O34284 [1,0,0,1,0,0|2,0,0]=4 332 B7R1.19 NC(=O)C1(N)CC1 L22305 [1,0,0,1,0,0|1,0,0]=3 333 B7R1.19 NC(=O)C1(N)CC1 P41484 [1,0,0,1,0,0|1,0,0]=3 334 B7R1.19 NC1(C(=O)O)CC1 G-5950 [1,0,0,1,0,0|0,0,0]=2 335 B7R1.19 O=C(O)C1(Br)CC1 O34313 [1,0,0,1,0,0|1,0,0]=3 336 B7R1.19 O=C(O)C1(F)CC1 O33313 [1,0,0,1,0,0|1,0,0]=3 337 B7R1.19 O=C(O)C1(O)CC1 I-9870 [1,0,0,1,0,0|1,0,0]=3 338 B7R1.22 CCC(N)C1CC1 L14734 [1,0,0,1,0,0|1,0,1]=4 339 B7R1.22 NC(CO)C1CC1 P36106 [1,0,0,1,0,0|0,0,1]=3 340 B7R1.22 N[C@@H](CO)C1CC1 P41862 [1,0,0,1,0,0|0,0,1]=3 341 B7R1.22 N[C@H](CO)C1CC1 P42349 [1,0,0,1,0,0|0,0,1]=3 342 B7R1.23 CC1(C)CC1CO P35038 [1,0,0,1,0,0|1,0,1]=4 343 B9R1.35 CN1CCC(C(=O)O)C1 O28273 [0,0,0,1,0,1|2,0,0]=4 344 B9R1.35 CN1CCC(C(=O)O)C1 O30600 [0,0,0,1,0,1|2,0,0]=4 345 B9R1.35 CN1CC[C@@H](C(=O)O)C1 G-6130 [0,0,0,1,0,1|2,0,0]=4 346 B9R1.35 CN1CC[C@@H](C(=O)O)C1 G-6130-01 [0,0,0,1,0,1|2,0,0]=4 347 B9R1.35 CN1CC[C@H](C(=O)O)C1 G-6129 [0,0,0,1,0,1|2,0,0]=4 348 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 O32949 [0,0,0,1,0,1|1,0,0]=3 349 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 Q53020 [0,0,0,1,0,1|1,0,0]=3 350 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)N1 Q53019 [0,0,0,1,0,1|1,0,0]=3 351 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Q52436 [0,0,0,1,0,1|1,0,0]=3 352 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 Q52437 [0,0,0,1,0,1|1,0,0]=3 353 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 O32956 [0,0,0,1,0,1|1,0,0]=3 354 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 Q52337 [0,0,0,1,0,1|0,0,0]=2 355 B9R1.35 NC1CCC(C(=O)O)C1 G-7403 [0,0,0,1,0,1|2,0,0]=4 356 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 10009 [0,0,0,1,0,1|2,0,0]=4 357 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 F-4734 [0,0,0,1,0,1|2,0,0]=4 358 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 L21283 [0,0,0,1,0,1|2,0,0]=4 359 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 P39234 [0,0,0,1,0,1|1,0,0]=3 360 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 P40794 [0,0,0,1,0,1|1,0,0]=3 361 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 10164 [0,0,0,1,0,1|2,0,0]=4 362 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 P44640 [0,0,0,1,0,1|2,0,0]=4 363 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 L21252 [0,0,0,1,0,1|2,0,0]=4 364 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 Q52275 [0,0,0,1,0,1|2,0,0]=4 365 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 A-335 [0,0,0,1,0,1|1,0,0]=3 366 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 Q61690 [0,0,0,1,0,1|1,0,0]=3 367 B9R1.35 O=C(O)C1CCC(F)C1 Q54410 [0,0,0,1,0,1|2,0,0]=4 368 B9R1.35 O=C(O)C1C[C@H](O)CN1 A-345 [0,0,0,1,0,1|1,0,0]=3 369 B9R1.35 O=C(O)[C@@H]1CC[C@@H](F)C1 Q61734 [0,0,0,1,0,1|2,0,0]=4 370 B9R1.35 O=C(O)[C@@H]1CC[C@@H](F)C1 Q63412 [0,0,0,1,0,1|2,0,0]=4 371 B9R1.35 O=C(O)[C@@H]1CC[C@@H](O)C1 Q63408 [0,0,0,1,0,1|2,0,0]=4 372 B9R1.35 O=C(O)[C@@H]1CC[C@H](F)C1 Q61733 [0,0,0,1,0,1|2,0,0]=4 373 B9R1.35 O=C(O)[C@@H]1CC[C@H](F)C1 Q63414 [0,0,0,1,0,1|2,0,0]=4 374 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 Q63410 [0,0,0,1,0,1|2,0,0]=4 375 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 A-341 [0,0,0,1,0,1|1,0,0]=3 376 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 G-6984 [0,0,0,1,0,1|1,0,0]=3 377 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 A-344 [0,0,0,1,0,1|1,0,0]=3 378 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 L21815 [0,0,0,1,0,1|1,0,0]=3 379 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 O30697 [0,0,0,1,0,1|1,0,0]=3 380 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 L22413 [0,0,0,1,0,1|1,0,0]=3 381 B9R1.35 O=C(O)[C@H]1CC[C@@H](F)C1 Q63413 [0,0,0,1,0,1|2,0,0]=4 382 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 Q63409 [0,0,0,1,0,1|2,0,0]=4 383 B9R1.35 O=C(O)[C@H]1CC[C@H](F)C1 Q63411 [0,0,0,1,0,1|2,0,0]=4 384 B9R1.35 O=C(O)[C@H]1CC[C@H](O)C1 Q63407 [0,0,0,1,0,1|2,0,0]=4 385 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 H-8063 [0,0,0,1,0,1|1,0,0]=3 386 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 H-8063-01 [0,0,0,1,0,1|1,0,0]=3 387 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 L13532 [0,0,0,1,0,1|1,0,0]=3 388 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 G-7739 [0,0,0,1,0,1|1,0,0]=3 389 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 P41300 [0,0,0,1,0,1|1,0,0]=3 390 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 P44659 [0,0,0,1,0,1|1,0,0]=3 391 B9R1.35 O=C1CNC(C(=O)O)C1 L14145 [0,0,0,1,0,1|1,0,1]=4 392 B9R1.36 CC1CC(C)(C)CC1=O Q61089 [0,0,0,1,0,1|2,0,0]=4 393 B9R1.38 CC1(C)NC(=O)CC1O Q64205 [0,0,0,1,0,1|2,0,0]=4 394 B9R1.55 CC(C)C1OC(C)C1N Q55960 [0,0,0,1,0,1|1,0,1]=4 395 B9R1.55 N[C@H]1[C@@H](C(=O)O)C[C@H]1O P45721 [0,0,0,1,0,1|1,0,0]=3 396 B9R1.55 N[C@H]1[C@@H](O)C[C@H]1C(=O)O P46166 [0,0,0,1,0,1|1,0,0]=3 397 B9R1.67 CC1CCN1CC(=O)O P47040 [0,0,0,1,0,1|2,0,0]=4 398 B9R1.67 CC1CCN1CC(=O)O P47963 [0,0,0,1,0,1|2,0,0]=4 399 B9R1.69 CC1CCC(=O)C(C)C1 Q59598 [0,0,0,1,0,1|2,0,0]=4 400 B9R1.69 C[C@@H]1CNC(=O)[C@@H](C)N1 P49014 [0,0,0,1,0,1|2,0,0]=4 401 B9R1.69 C[C@H]1CNC(=O)[C@H](C)N1 P49725 [0,0,0,1,0,1|2,0,0]=4 402 B9R1.112 C\C(=C/C1CC1)C(=O)O O29378 [0,0,0,1,0,1|1,0,1]=4 403 B9R1.112 NC(=O)C(N)CC1CC1 P50523 [0,0,0,1,0,1|1,0,0]=3 404 B9R1.112 NC(CC1CC1)C(=O)O O28074 [0,0,0,1,0,1|0,0,0]=2 405 B9R1.112 N[C@@H](CC1CC1)C(=O)O O28950 [0,0,0,1,0,1|0,0,0]=2 406 B9R1.112 N[C@H](CC1CC1)C(=O)O O28870 [0,0,0,1,0,1|0,0,0]=2 407 B9R1.112 O=C(O)[C@@H](O)CC1CC1 P38965 [0,0,0,1,0,1|1,0,0]=3 408 B9R1.112 O=C(O)[C@H](O)CC1CC1 P40522 [0,0,0,1,0,1|1,0,0]=3 409 B9R1.137 C\C(=C\C(=O)O)C1CC1 O30728 [0,0,0,1,0,1|1,0,1]=4 410 B9R1.137 NC(CC(=O)O)C1CC1 P38780 [0,0,0,1,0,1|0,0,0]=2 411 B9R1.137 O=C(O)CC(=O)C1CC1 F-4421 [0,0,0,1,0,1|1,0,1]=4 412 B9R1.152 C=C1CC(N)(C(=O)O)C1 P45998 [0,0,0,1,0,1|0,0,2]=4 413 B9R1.152 CC1(C(=O)O)CC(N)C1 P46878 [0,0,0,1,0,1|2,0,0]=4 414 B9R1.152 CC1CC(C)(C(=O)O)C1 P45152 [0,0,0,1,0,1|1,0,0]=3 415 B9R1.152 CC1CC(N)(C(=O)O)C1 P47365 [0,0,0,1,0,1|0,0,0]=2 416 B9R1.152 C[C@]1(C(=O)O)C[C@@H](N)C1 I-9804 [0,0,0,1,0,1|2,0,0]=4 417 B9R1.152 C[C@]1(C(=O)O)C[C@@H](N)C1 P43910 [0,0,0,1,0,1|2,0,0]=4 418 B9R1.152 C[C@]1(C(=O)O)C[C@H](N)C1 G-5884 [0,0,0,1,0,1|2,0,0]=4 419 B9R1.152 C[C@]1(C(=O)O)C[C@H](N)C1 P48427 [0,0,0,1,0,1|2,0,0]=4 420 B9R1.152 NC1(C(=O)O)CC(F)C1 L21448 [0,0,0,1,0,1|1,0,0]=3 421 B9R1.152 NC1(C(=O)O)CC(O)C1 L21397 [0,0,0,1,0,1|1,0,0]=3 422 B9R1.152 NC1CC(F)(C(=O)O)C1 P48244 [0,0,0,1,0,1|2,0,0]=4 423 B9R1.152 N[C@]1(C(=O)O)C[C@@H](F)C1 P45945 [0,0,0,1,0,1|1,0,0]=3 424 B9R1.152 N[C@]1(C(=O)O)C[C@@H](O)C1 P46053 [0,0,0,1,0,1|1,0,0]=3 425 B9R1.152 N[C@]1(C(=O)O)C[C@H](F)C1 P44861 [0,0,0,1,0,1|1,0,0]=3 426 B9R1.152 N[C@]1(C(=O)O)C[C@H](O)C1 P46625 [0,0,0,1,0,1|1,0,0]=3 427 B9R1.152 O=C(O)C1(F)CC(F)C1 P46337 [0,0,0,1,0,1|2,0,0]=4 428 B9R1.152 O=C(O)C1(F)CC(O)C1 P46092 [0,0,0,1,0,1|2,0,0]=4 429 B9R1.152 O=C(O)[C@]1(F)C[C@@H](O)C1 P50591 [0,0,0,1,0,1|2,0,0]=4 430 B9R1.152 O=C(O)[C@]1(F)C[C@H](O)C1 P50586 [0,0,0,1,0,1|2,0,0]=4 431 B9R1.152 O=C(O)[C@]1(O)C[C@@H](O)C1 P50588 [0,0,0,1,0,1|2,0,0]=4 432 B9R1.152 O=C(O)[C@]1(O)C[C@H](O)C1 P50592 [0,0,0,1,0,1|2,0,0]=4 433 B9R1.153 CC1(C)C(N)CS1(=O)=O Q58810 [0,0,0,1,0,1|1,0,1]=4 434 B9R1.153 CC1(C)[C@@H](N)CS1(=O)=O Q58817 [0,0,0,1,0,1|1,0,1]=4 435 B9R1.153 CC1(O)CC(N)C1(C)C P47095 [0,0,0,1,0,1|1,0,1]=4 436 B9R1.164 CC1(C)C=C(C(=O)O)C1 G-5685 [0,0,0,1,0,1|1,0,1]=4 437 B9R1.164 CC1(C)CC(C(=O)O)C1 G-7355 [0,0,0,1,0,1|1,0,0]=3 438 B9R1.164 CC1(F)CC(C(=O)O)C1 L13213 [0,0,0,1,0,1|2,0,0]=4 439 B9R1.164 CC1(O)CC(C(=O)O)C1 L13034 [0,0,0,1,0,1|2,0,0]=4 440 B9R1.164 C[C@]1(F)C[C@@H](C(=O)O)C1 L18045 [0,0,0,1,0,1|2,0,0]=4 441 B9R1.164 C[C@]1(F)C[C@H](C(=O)O)C1 L21324 [0,0,0,1,0,1|2,0,0]=4 442 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 I-9401 [0,0,0,1,0,1|2,0,0]=4 443 B9R1.164 C[C@]1(O)C[C@H](C(=O)O)C1 G-6555 [0,0,0,1,0,1|2,0,0]=4 444 B9R1.3 CC1CCCC(=O)C1C Q59611 [0,1,0,1,0,0|2,0,0]=4 445 B9R1.41 CC1CCNC1C(=O)O Q57359 [0,1,0,1,0,0|0,0,0]=2 446 B9R1.41 CC1CCNC1C(=O)O Q57360 [0,1,0,1,0,0|0,0,0]=2 447 B9R1.41 CC1CNCC1C(=O)O Q59247 [0,1,0,1,0,0|0,0,0]=2 448 B9R1.41 CN1CCCC1C(=O)O M22685 [0,1,0,1,0,0|2,0,0]=4 449 B9R1.41 CN1CCC[C@@H]1C(=O)O P36536 [0,1,0,1,0,0|2,0,0]=4 450 B9R1.41 CN1CCC[C@@H]1C(=O)O P37259 [0,1,0,1,0,0|2,0,0]=4 451 B9R1.41 CN1CCC[C@H]1C(=O)O I-9166 [0,1,0,1,0,0|2,0,0]=4 452 B9R1.41 CN1CCC[C@H]1C(=O)O O28625 [0,1,0,1,0,0|2,0,0]=4 453 B9R1.41 CN1CCC[C@H]1C(=O)O P37937 [0,1,0,1,0,0|2,0,0]=4 454 B9R1.41 C[C@H]1CNC[C@@H]1C(=O)O Q62191 [0,1,0,1,0,0|0,0,0]=2 455 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O O32797 [0,1,0,1,0,0|2,0,0]=4 456 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O Q61718 [0,1,0,1,0,0|2,0,0]=4 457 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O H-8160 [0,1,0,1,0,0|2,0,0]=4 458 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Q61730 [0,1,0,1,0,0|2,0,0]=4 459 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Q61731 [0,1,0,1,0,0|2,0,0]=4 460 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O H-8161 [0,1,0,1,0,0|2,0,0]=4 461 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O F-4802 [0,1,0,1,0,0|2,0,0]=4 462 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Q52546 [0,1,0,1,0,0|2,0,0]=4 463 B9R1.41 O=C(O)C1CCCC1O Q59153 [0,1,0,1,0,0|2,0,0]=4 464 B9R1.41 O=C(O)C1CNCC1O H-8825 [0,1,0,1,0,0|1,0,0]=3 465 B9R1.41 O=C(O)C1NCCC1F Q59330 [0,1,0,1,0,0|1,0,0]=3 466 B9R1.41 O=C(O)C1NCC[C@@H]1O F-4332 [0,1,0,1,0,0|1,0,0]=3 467 B9R1.41 O=C(O)[C@@H]1CCC[C@@H]1F Q63425 [0,1,0,1,0,0|2,0,0]=4 468 B9R1.41 O=C(O)[C@@H]1CCC[C@@H]1O Q63421 [0,1,0,1,0,0|2,0,0]=4 469 B9R1.41 O=C(O)[C@@H]1CCC[C@H]1F Q63426 [0,1,0,1,0,0|2,0,0]=4 470 B9R1.41 O=C(O)[C@@H]1CCC[C@H]1O Q63422 [0,1,0,1,0,0|2,0,0]=4 471 B9R1.41 O=C(O)[C@@H]1CNC[C@@H]1O H-8824 [0,1,0,1,0,0|1,0,0]=3 472 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F Q64264 [0,1,0,1,0,0|1,0,0]=3 473 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O I-9988 [0,1,0,1,0,0|1,0,0]=3 474 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O L14329 [0,1,0,1,0,0|1,0,0]=3 475 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O L22341 [0,1,0,1,0,0|1,0,0]=3 476 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F Q64265 [0,1,0,1,0,0|1,0,0]=3 477 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O F-4333 [0,1,0,1,0,0|1,0,0]=3 478 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O L13193 [0,1,0,1,0,0|1,0,0]=3 479 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O Q54350 [0,1,0,1,0,0|1,0,0]=3 480 B9R1.41 O=C(O)[C@H]1CCC[C@@H]1F Q63427 [0,1,0,1,0,0|2,0,0]=4 481 B9R1.41 O=C(O)[C@H]1CCC[C@@H]1O Q63423 [0,1,0,1,0,0|2,0,0]=4 482 B9R1.41 O=C(O)[C@H]1CCC[C@H]1F Q63424 [0,1,0,1,0,0|2,0,0]=4 483 B9R1.41 O=C(O)[C@H]1CCC[C@H]1O Q63420 [0,1,0,1,0,0|2,0,0]=4 484 B9R1.41 O=C(O)[C@H]1CNC[C@@H]1O H-8823 [0,1,0,1,0,0|1,0,0]=3 485 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F Q64266 [0,1,0,1,0,0|1,0,0]=3 486 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F Q64267 [0,1,0,1,0,0|1,0,0]=3 487 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O I-9959 [0,1,0,1,0,0|1,0,0]=3 488 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O L21735 [0,1,0,1,0,0|1,0,0]=3 489 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F Q64263 [0,1,0,1,0,0|1,0,0]=3 490 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O L22366 [0,1,0,1,0,0|1,0,0]=3 491 B9R1.81 COC(=O)C1CCC1N P48812 [0,1,0,1,0,0|2,0,0]=4 492 B9R1.81 COC(=O)C1CCN1C P45741 [0,1,0,1,0,0|2,0,0]=4 493 B9R1.81 COC(=O)C1CNC1C L14496 [0,1,0,1,0,0|2,0,0]=4 494 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N F-4529 [0,1,0,1,0,0|2,0,0]=4 495 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N G-6951 [0,1,0,1,0,0|2,0,0]=4 496 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N K12006 [0,1,0,1,0,0|2,0,0]=4 497 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N P48655 [0,1,0,1,0,0|2,0,0]=4 498 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N P50299 [0,1,0,1,0,0|2,0,0]=4 499 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N P47008 [0,1,0,1,0,0|2,0,0]=4 500 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N Q56097 [0,1,0,1,0,0|2,0,0]=4 501 B9R1.81 COC(=O)[C@@H]1CN[C@H]1C P50301 [0,1,0,1,0,0|2,0,0]=4 502 B9R1.81 COC(=O)[C@H]1CC[C@H]1N P48086 [0,1,0,1,0,0|2,0,0]=4 503 B9R1.81 COC(=O)[C@H]1CC[C@H]1N Q52809 [0,1,0,1,0,0|2,0,0]=4 504 B9R1.96 CCC1CCC1C(=O)O P47971 [0,1,0,1,0,0|1,0,0]=3 505 B9R1.96 CCC1CN[C@@H]1C(=O)O L21366 [0,1,0,1,0,0|0,0,0]=2 506 B9R1.96 CCN1CCC1C(=O)O P48309 [0,1,0,1,0,0|2,0,0]=4 507 B9R1.96 CCN1CC[C@H]1C(=O)O L14215 [0,1,0,1,0,0|2,0,0]=4 508 B9R1.96 CO[C@@H]1CC[C@@H]1C(=O)O P50796 [0,1,0,1,0,0|1,0,0]=3 509 B9R1.96 CO[C@@H]1CC[C@H]1C(=O)O P48367 [0,1,0,1,0,0|1,0,0]=3 510 B9R1.96 N#CC1CCC1C(=O)O L18042 [0,1,0,1,0,0|1,0,1]=4 511 B9R1.96 O=C(O)C1CCC1CF P48305 [0,1,0,1,0,0|1,0,0]=3 512 B9R1.96 O=C(O)N1CCC1CO P47009 [0,1,0,1,0,0|2,0,0]=4 513 B9R1.101 COC(=O)C(N)C1CC1 P37580 [0,1,0,1,0,0|0,0,0]=2 514 B9R1.101 COC(=O)[C@@H](N)C1CC1 P41444 [0,1,0,1,0,0|0,0,0]=2 515 B9R1.101 COC(=O)[C@H](N)C1CC1 P41443 [0,1,0,1,0,0|0,0,0]=2 516 B9R1.110 CC(C(=O)O)C1CCC1 P49848 [0,1,0,1,0,0|1,0,0]=3 517 B9R1.110 CC(C(=O)O)C1CCO1 Q56202 [0,1,0,1,0,0|1,0,0]=3 518 B9R1.110 CC(C(=O)O)C1CNC1 P47100 [0,1,0,1,0,0|1,0,0]=3 519 B9R1.110 CC(C(=O)O)C1CNC1 P47946 [0,1,0,1,0,0|1,0,0]=3 520 B9R1.110 CC(C(=O)O)N1CCC1 P43803 [0,1,0,1,0,0|2,0,0]=4 521 B9R1.110 NC(C(=O)O)C1CCC1 G-7603 [0,1,0,1,0,0|0,0,0]=2 522 B9R1.110 NC(C(=O)O)C1CCC1 P48639 [0,1,0,1,0,0|0,0,0]=2 523 B9R1.110 NC(C(=O)O)C1COC1 F-4658 [0,1,0,1,0,0|0,0,0]=2 524 B9R1.110 N[C@@H](C(=O)O)C1CCC1 I-9625 [0,1,0,1,0,0|0,0,0]=2 525 B9R1.110 N[C@@H](C(=O)O)C1COC1 G-7604 [0,1,0,1,0,0|0,0,0]=2 526 B9R1.110 N[C@H](C(=O)O)C1COC1 G-7605 [0,1,0,1,0,0|0,0,0]=2 527 B9R1.110 O=C(O)C(F)C1COC1 Q63100 [0,1,0,1,0,0|1,0,0]=3 528 B9R1.110 O=C(O)C(O)C1CCC1 P48825 [0,1,0,1,0,0|1,0,0]=3 529 B9R1.110 O=C(O)[C@@H](O)C1CCC1 P45090 [0,1,0,1,0,0|1,0,0]=3 530 B9R1.110 O=C(O)[C@H](O)C1CCC1 P46146 [0,1,0,1,0,0|1,0,0]=3 531 B9R1.111 CC1(C(N)C(=O)O)CC1 L14530 [0,1,0,1,0,0|0,0,0]=2 532 B9R1.111 CC1([C@H](N)C(=O)O)CC1 G-7090 [0,1,0,1,0,0|0,0,0]=2 533 B9R1.138 CC1(C)CNC(=O)C1O Q61925 [0,1,0,1,0,0|2,0,0]=4 534 B9R1.52 CC1CN(C)[C@@H]1C(=O)O L14533 [0,1,0,1,0,0|0,0,0]=2 535 B9R1.166 CC1(C)CCC1C(=O)O P45623 [0,1,0,1,0,0|1,0,0]=3 536 B9R1.166 CC1(C)CN[C@@H]1C(=O)O L13876 [0,1,0,1,0,0|0,0,0]=2 537 B9R1.166 CC1(C)CN[C@H]1C(=O)O P46143 [0,1,0,1,0,0|0,0,0]=2 538 B9R1.166 CC1(C)OCC1C(=O)O Q52795 [0,1,0,1,0,0|1,0,0]=3 539 B9R1.166 O=C(O)C1CCC1(F)F F-4689 [0,1,0,1,0,0|2,0,0]=4 540 B9R1.223 CC1(C)OC(C)(C)C1N O33224 [0,1,0,1,0,0|1,0,1]=4 541 B9R1.223 CC1(C)OC(C)(C)C1N Q62643 [0,1,0,1,0,0|1,0,1]=4 542 B9R1.165 CC(C)(C(=O)O)C1CC1 L20381 [0,1,0,1,0,0|1,0,0]=3 543 B9R1.165 CC(N)(C(=O)O)C1CC1 P37354 [0,1,0,1,0,0|0,0,0]=2 544 B9R2.144 O=C(O)C12CCC1C2 Q54741 [0,0,0,2,0,0|1,0,0]=3 545 B9R2.147 O=C(O)C1C2CC1C2 Q53412 [0,0,0,2,0,0|1,0,0]=3 546 B9R2.143 O=C(O)C1CC12CC2 L18059 [0,0,0,2,0,0|1,0,0]=3 547 B7R0.6 CC(=O)OCC(C)O P36972 [1,0,0,0,0,1|2,0,0]=4 548 B7R0.6 CC(C)=CCC(=O)O P43260 [1,0,0,0,0,1|0,0,1]=3 549 B7R0.6 CC(C)OCC(=O)O P38749 [1,0,0,0,0,1|0,0,0]=2 550 B7R0.6 O=C(O)CCC(F)F S72753 [1,0,0,0,0,1|2,0,0]=4 551 B9R0.7 CC(C)=CCC(N)C(=O)O O28923 [0,0,0,0,0,2|0,0,1]=3 552 B9R0.7 CC(C)=CC[C@@H](N)C(=O)O O28478 [0,0,0,0,0,2|0,0,1]=3 553 B9R0.7 CC(C)=CC[C@H](N)C(=O)O O28749 [0,0,0,0,0,2|0,0,1]=3 554 B9R0.7 CC(C)CC[C@@H](N)C(=O)O P41429 [0,0,0,0,0,2|0,0,0]=2 555 B9R0.7 CC(C)CC[C@H](N)C(=O)O M22613 [0,0,0,0,0,2|0,0,0]=2 556 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O O28917 [0,0,0,0,0,2|2,0,0]=4 557 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Q68973 [0,0,0,0,0,2|0,0,0]=2 558 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Q68975 [0,0,0,0,0,2|0,0,0]=2 559 B9R0.53 CC(C)C[C@H](N)CC(=O)O P39532 [0,0,0,0,0,2|0,0,0]=2 560 B9R0.53 CC(C)C[C@H](N)CC(=O)O Q68972 [0,0,0,0,0,2|0,0,0]=2