0 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O O28696 [0,0,0,0,0,0|0,0,0]=0 1 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O O28455 [0,0,0,0,0,0|0,0,0]=0 2 B7R0.2 CCC(=O)CC(=O)O P43007 [1,0,0,0,0,0|1,0,1]=3 3 B7R0.2 CCC(=O)CC(C)=O O31794 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.2 CC[C@@H](N)CC(=O)O M23217 [1,0,0,0,0,0|1,0,0]=2 5 B7R0.2 CC[C@H](N)CC(=O)O M23203 [1,0,0,0,0,0|1,0,0]=2 6 B7R0.2 CNC(=O)CC(=O)O P38150 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.2 NCC(O)CC(=O)O P35068 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.2 N[C@@H](CO)CC(=O)O Q68983 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.2 N[C@@H](CO)CC(=O)O Q68986 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.2 N[C@H](CO)CC(=O)O Q68987 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.2 N[C@H](CO)CC(=O)O Q68989 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.5 C#CCC(N)C(=O)O P37796 [1,0,0,0,0,0|0,0,2]=3 13 B7R0.5 C#CC[C@@H](N)C(=O)O P39505 [1,0,0,0,0,0|0,0,2]=3 14 B7R0.5 C#CC[C@H](N)C(=O)O P39506 [1,0,0,0,0,0|0,0,2]=3 15 B7R0.5 C=CC[C@@H](N)C(=O)O P37509 [1,0,0,0,0,0|0,0,2]=3 16 B7R0.5 C=CC[C@H](N)C(=O)O O28653 [1,0,0,0,0,0|0,0,2]=3 17 B7R0.5 C=CC[C@H](N)C(=O)O P40769 [1,0,0,0,0,0|0,0,2]=3 18 B7R0.5 CCC[C@H](O)C(=O)O P51274 [1,0,0,0,0,0|1,0,0]=2 19 B7R0.5 CCNC(C)C(=O)O P36832 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.5 CCN[C@@H](C)C(=O)O P36816 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.5 CCN[C@H](C)C(=O)O P35138 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.5 CCOC(=O)C(=O)O P37044 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.5 COC[C@@H](N)C(=O)O P35719 [1,0,0,0,0,0|1,0,0]=2 24 B7R0.5 COC[C@H](N)C(=O)O P38808 [1,0,0,0,0,0|1,0,0]=2 25 B7R0.5 N[C@@H](CCBr)C(=O)O P41033 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.5 N[C@@H](CCS)C(=O)O A-694 [1,0,0,0,0,0|1,0,0]=2 27 B7R0.16 CC(C(=O)O)N(C)C P40714 [1,0,0,0,0,0|2,0,0]=3 28 B7R0.16 CC(C)[C@@H](O)C(=O)O P40530 [1,0,0,0,0,0|1,0,0]=2 29 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O P39382 [1,0,0,0,0,0|1,0,0]=2 30 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O Q70089 [1,0,0,0,0,0|1,0,0]=2 31 B9R0.27 CCC(=O)C(C)C(=O)OC P40525 [0,1,0,0,0,0|2,0,1]=4 32 B9R0.32 C=CC(C)(C)[C@H](N)C(=O)O L18738 [0,1,0,0,0,0|0,0,2]=3 33 B9R0.41 CCC(CC)C(N)C(=O)O M22686 [0,1,0,0,0,0|0,0,0]=1 34 B9R0.41 CCC(CC)[C@@H](N)C(=O)O P41265 [0,1,0,0,0,0|0,0,0]=1 35 B9R0.41 CCC(CC)[C@H](N)C(=O)O P41266 [0,1,0,0,0,0|0,0,0]=1 36 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O Q68917 [0,1,0,0,0,0|1,0,0]=2 37 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O Q68920 [0,1,0,0,0,0|1,0,0]=2 38 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O Q68921 [0,1,0,0,0,0|1,0,0]=2 39 B9R1.3 CC1CCCC(=O)C1C Q59611 [0,0,0,1,0,0|2,0,0]=3 40 B9R1.3 CC1CCCC(C)C1N P44629 [0,0,0,1,0,0|2,0,1]=4 41 B9R1.41 CC1CCNC1C(=O)O Q57359 [0,0,0,1,0,0|0,0,0]=1 42 B9R1.41 CC1CCNC1C(=O)O Q57360 [0,0,0,1,0,0|0,0,0]=1 43 B9R1.41 CC1CNCC1C(=O)O Q59247 [0,0,0,1,0,0|2,0,0]=3 44 B9R1.41 CN1CCCC1C(=O)O M22685 [0,0,0,1,0,0|2,0,0]=3 45 B9R1.41 CN1CCC[C@@H]1C(=O)O P36536 [0,0,0,1,0,0|2,0,0]=3 46 B9R1.41 CN1CCC[C@@H]1C(=O)O P37259 [0,0,0,1,0,0|2,0,0]=3 47 B9R1.41 CN1CCC[C@H]1C(=O)O I-9166 [0,0,0,1,0,0|2,0,0]=3 48 B9R1.41 CN1CCC[C@H]1C(=O)O O28625 [0,0,0,1,0,0|2,0,0]=3 49 B9R1.41 CN1CCC[C@H]1C(=O)O P37937 [0,0,0,1,0,0|2,0,0]=3 50 B9R1.41 C[C@H]1CNC[C@@H]1C(=O)O Q62191 [0,0,0,1,0,0|2,0,0]=3 51 B9R1.41 NC(=O)C1CCCC1N Q59162 [0,0,0,1,0,0|3,0,0]=4 52 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O O32797 [0,0,0,1,0,0|2,0,0]=3 53 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O Q61718 [0,0,0,1,0,0|2,0,0]=3 54 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O H-8160 [0,0,0,1,0,0|2,0,0]=3 55 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Q61730 [0,0,0,1,0,0|2,0,0]=3 56 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Q61731 [0,0,0,1,0,0|2,0,0]=3 57 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O H-8161 [0,0,0,1,0,0|2,0,0]=3 58 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O F-4802 [0,0,0,1,0,0|2,0,0]=3 59 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Q52546 [0,0,0,1,0,0|2,0,0]=3 60 B9R1.41 O=C(O)C1CCCC1O Q59153 [0,0,0,1,0,0|2,0,0]=3 61 B9R1.41 O=C(O)C1CNCC1O H-8825 [0,0,0,1,0,0|3,0,0]=4 62 B9R1.41 O=C(O)C1NCCC1F Q59330 [0,0,0,1,0,0|1,0,0]=2 63 B9R1.41 O=C(O)C1NCC[C@@H]1O F-4332 [0,0,0,1,0,0|1,0,0]=2 64 B9R1.41 O=C(O)[C@@H]1CCC[C@@H]1F Q63425 [0,0,0,1,0,0|2,0,0]=3 65 B9R1.41 O=C(O)[C@@H]1CCC[C@@H]1O Q63421 [0,0,0,1,0,0|2,0,0]=3 66 B9R1.41 O=C(O)[C@@H]1CCC[C@H]1F Q63426 [0,0,0,1,0,0|2,0,0]=3 67 B9R1.41 O=C(O)[C@@H]1CCC[C@H]1O Q63422 [0,0,0,1,0,0|2,0,0]=3 68 B9R1.41 O=C(O)[C@@H]1CNC[C@@H]1O H-8824 [0,0,0,1,0,0|3,0,0]=4 69 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F Q64264 [0,0,0,1,0,0|1,0,0]=2 70 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O I-9988 [0,0,0,1,0,0|1,0,0]=2 71 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O L14329 [0,0,0,1,0,0|1,0,0]=2 72 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O L22341 [0,0,0,1,0,0|1,0,0]=2 73 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F Q64265 [0,0,0,1,0,0|1,0,0]=2 74 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O F-4333 [0,0,0,1,0,0|1,0,0]=2 75 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O L13193 [0,0,0,1,0,0|1,0,0]=2 76 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O Q54350 [0,0,0,1,0,0|1,0,0]=2 77 B9R1.41 O=C(O)[C@H]1CCC[C@@H]1F Q63427 [0,0,0,1,0,0|2,0,0]=3 78 B9R1.41 O=C(O)[C@H]1CCC[C@@H]1O Q63423 [0,0,0,1,0,0|2,0,0]=3 79 B9R1.41 O=C(O)[C@H]1CCC[C@H]1F Q63424 [0,0,0,1,0,0|2,0,0]=3 80 B9R1.41 O=C(O)[C@H]1CCC[C@H]1O Q63420 [0,0,0,1,0,0|2,0,0]=3 81 B9R1.41 O=C(O)[C@H]1CNC[C@@H]1O H-8823 [0,0,0,1,0,0|3,0,0]=4 82 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F Q64266 [0,0,0,1,0,0|1,0,0]=2 83 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F Q64267 [0,0,0,1,0,0|1,0,0]=2 84 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O I-9959 [0,0,0,1,0,0|1,0,0]=2 85 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O L21735 [0,0,0,1,0,0|1,0,0]=2 86 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F Q64263 [0,0,0,1,0,0|1,0,0]=2 87 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O L22366 [0,0,0,1,0,0|1,0,0]=2 88 B9R1.55 N[C@H]1[C@@H](C(=O)O)C[C@H]1O P45721 [0,0,0,1,0,0|3,0,0]=4 89 B9R1.55 N[C@H]1[C@@H](O)C[C@H]1C(=O)O P46166 [0,0,0,1,0,0|3,0,0]=4 90 B9R1.96 CCC1CCC1C(=O)O P47971 [0,0,0,1,0,0|1,0,0]=2 91 B9R1.96 CCC1CN[C@@H]1C(=O)O L21366 [0,0,0,1,0,0|0,0,0]=1 92 B9R1.96 CCN1CCC1C(=O)O P48309 [0,0,0,1,0,0|2,0,0]=3 93 B9R1.96 CCN1CC[C@H]1C(=O)O L14215 [0,0,0,1,0,0|2,0,0]=3 94 B9R1.96 CO[C@@H]1CC[C@@H]1C(=O)O P50796 [0,0,0,1,0,0|2,0,0]=3 95 B9R1.96 CO[C@@H]1CC[C@H]1C(=O)O P48367 [0,0,0,1,0,0|2,0,0]=3 96 B9R1.96 N#CC1CCC1C(=O)O L18042 [0,0,0,1,0,0|2,0,1]=4 97 B9R1.96 O=C(O)C1CCC1CF P48305 [0,0,0,1,0,0|2,0,0]=3 98 B9R1.96 O=C(O)N1CCC1CO P47009 [0,0,0,1,0,0|3,0,0]=4 99 B9R1.110 CC(C(=O)O)C1CCC1 P49848 [0,0,0,1,0,0|1,0,0]=2 100 B9R1.110 CC(C(=O)O)C1CCO1 Q56202 [0,0,0,1,0,0|2,0,0]=3 101 B9R1.110 CC(C(=O)O)C1CNC1 P47100 [0,0,0,1,0,0|2,0,0]=3 102 B9R1.110 CC(C(=O)O)C1CNC1 P47946 [0,0,0,1,0,0|2,0,0]=3 103 B9R1.110 CC(C(=O)O)N1CCC1 P43803 [0,0,0,1,0,0|2,0,0]=3 104 B9R1.110 NC(C(=O)O)C1CCC1 G-7603 [0,0,0,1,0,0|0,0,0]=1 105 B9R1.110 NC(C(=O)O)C1CCC1 P48639 [0,0,0,1,0,0|0,0,0]=1 106 B9R1.110 NC(C(=O)O)C1COC1 F-4658 [0,0,0,1,0,0|1,0,0]=2 107 B9R1.110 N[C@@H](C(=O)O)C1CCC1 I-9625 [0,0,0,1,0,0|0,0,0]=1 108 B9R1.110 N[C@@H](C(=O)O)C1COC1 G-7604 [0,0,0,1,0,0|1,0,0]=2 109 B9R1.110 N[C@H](C(=O)O)C1COC1 G-7605 [0,0,0,1,0,0|1,0,0]=2 110 B9R1.110 O=C(O)C(F)C1COC1 Q63100 [0,0,0,1,0,0|2,0,0]=3 111 B9R1.110 O=C(O)C(O)C1CCC1 P48825 [0,0,0,1,0,0|1,0,0]=2 112 B9R1.110 O=C(O)[C@@H](O)C1CCC1 P45090 [0,0,0,1,0,0|1,0,0]=2 113 B9R1.110 O=C(O)[C@H](O)C1CCC1 P46146 [0,0,0,1,0,0|1,0,0]=2 114 B9R1.111 CC1(C(N)C(=O)O)CC1 L14530 [0,0,0,1,0,0|0,0,0]=1 115 B9R1.111 CC1([C@H](N)C(=O)O)CC1 G-7090 [0,0,0,1,0,0|0,0,0]=1 116 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Q68967 [0,0,0,0,0,1|0,0,0]=1 117 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Q68970 [0,0,0,0,0,1|0,0,0]=1 118 B6R0.1 CCC(S)CCO O29430 [2,0,0,0,0,0|1,0,1]=4 119 B6R0.1 CCC[C@@H](N)CO P35977 [2,0,0,0,0,0|0,0,1]=3 120 B6R0.1 CCC[C@H](N)CO P39535 [2,0,0,0,0,0|0,0,1]=3 121 B6R0.1 CCN(C)CCO Q66070 [2,0,0,0,0,0|1,0,1]=4 122 B6R0.2 CC(=O)NC(C)C P50955 [2,0,0,0,0,0|2,0,0]=4 123 B6R0.2 CC(C)C[C@@H](C)O Q70085 [2,0,0,0,0,0|1,0,1]=4 124 B6R0.2 CC(O)CC(=O)O P38963 [2,0,0,0,0,0|1,0,0]=3 125 B6R0.2 CN(C)CC(N)=O P36935 [2,0,0,0,0,0|2,0,0]=4 126 B6R0.2 C[C@@H](N)CC(=O)O P38442 [2,0,0,0,0,0|1,0,0]=3 127 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [2,0,0,0,0,0|1,0,0]=3 128 B6R0.2 C[C@@H](O)CC(=O)O P36990 [2,0,0,0,0,0|1,0,0]=3 129 B6R0.2 C[C@H](N)CC(=O)O P38443 [2,0,0,0,0,0|1,0,0]=3 130 B6R0.2 C[C@H](O)CC(=O)O P37046 [2,0,0,0,0,0|1,0,0]=3 131 B6R0.4 CCNCC(=O)O P37534 [2,0,0,0,0,0|1,0,0]=3 132 B6R0.4 CCNCC(N)=O P36580 [2,0,0,0,0,0|2,0,0]=4 133 B6R0.4 CNCCC(=O)O P36779 [2,0,0,0,0,0|1,0,0]=3 134 B6R0.4 CNCCC(=O)O P39205 [2,0,0,0,0,0|1,0,0]=3 135 B6R0.4 CNCCC(N)=O P37896 [2,0,0,0,0,0|2,0,0]=4 136 B6R0.3 CC(C)[C@@H](N)CO L13788 [2,0,0,0,0,0|0,0,1]=3 137 B6R0.3 CCC(C)C(C)N O31127 [2,0,0,0,0,0|0,0,1]=3 138 B6R0.3 CCC(N)C(C)O L20519 [2,0,0,0,0,0|1,0,1]=4 139 B6R0.3 CCC(N)C(N)=O P35312 [2,0,0,0,0,0|1,0,0]=3 140 B6R0.3 CC[C@@H](Br)C(=O)O P45858 [2,0,0,0,0,0|1,0,0]=3 141 B6R0.3 CC[C@@H](O)C(=O)O P40022 [2,0,0,0,0,0|1,0,0]=3 142 B6R0.3 CC[C@H](Br)C(=O)O P45751 [2,0,0,0,0,0|1,0,0]=3 143 B6R0.3 CC[C@H](O)C(=O)O P38746 [2,0,0,0,0,0|1,0,0]=3 144 B6R0.3 CNC(C)C(N)=O P41317 [2,0,0,0,0,0|1,0,1]=4 145 B6R0.3 CO[C@@H](C)C(=O)O I-9183 [2,0,0,0,0,0|2,0,0]=4 146 B6R0.3 C[C@@H](CN)C(=O)O Q69056 [2,0,0,0,0,0|2,0,0]=4 147 B6R0.3 C[C@@H](CN)C(=O)O Q69059 [2,0,0,0,0,0|2,0,0]=4 148 B6R0.3 C[C@H](CN)C(=O)O Q69061 [2,0,0,0,0,0|2,0,0]=4 149 B6R0.3 C[C@H](CN)C(=O)O Q69064 [2,0,0,0,0,0|2,0,0]=4 150 B6R0.3 C[C@H](CO)C(=O)O 10021 [2,0,0,0,0,0|2,0,0]=4 151 B6R0.3 NCC(N)C(=O)O P37494 [2,0,0,0,0,0|1,0,0]=3 152 B6R0.3 NCC(O)C(=O)O O28965 [2,0,0,0,0,0|2,0,0]=4 153 B6R0.3 NC[C@@H](O)C(=O)O 10685 [2,0,0,0,0,0|2,0,0]=4 154 B6R0.3 NC[C@H](N)C(=O)O P40075 [2,0,0,0,0,0|1,0,0]=3 155 B8R0.5 C=CC[C@@H](N)CC(=O)O Q69101 [1,1,0,0,0,0|1,0,1]=4 156 B8R0.5 COCC(O)CC(=O)O F-4460 [1,1,0,0,0,0|1,0,0]=3 157 B8R0.16 CCN(CC)CC(=O)O P40850 [1,1,0,0,0,0|1,0,0]=3 158 B8R0.23 CC(=O)N(C)CC(=O)O P37214 [1,1,0,0,0,0|1,0,1]=4 159 B8R0.23 CC(C)C(N)CC(=O)O M22680 [1,1,0,0,0,0|1,0,0]=3 160 B8R0.23 CC(C)N(C)CC(=O)O P42706 [1,1,0,0,0,0|1,0,0]=3 161 B8R0.23 CC(C)[C@@H](N)CC(=O)O P38250 [1,1,0,0,0,0|1,0,0]=3 162 B8R0.23 CC(C)[C@@H](N)CC(=O)O Q68993 [1,1,0,0,0,0|1,0,0]=3 163 B8R0.23 CC(C)[C@H](N)CC(=O)O P36212 [1,1,0,0,0,0|1,0,0]=3 164 B8R0.23 CC(C)[C@H](N)CC(=O)O Q68999 [1,1,0,0,0,0|1,0,0]=3 165 B8R0.23 C[C@@H](CC(=O)O)C(=O)O P39685 [1,1,0,0,0,0|1,0,1]=4 166 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Q68990 [1,1,0,0,0,0|1,0,0]=3 167 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Q68992 [1,1,0,0,0,0|1,0,0]=3 168 B8R0.34 COC(C)(C)CC(=O)O O32626 [1,1,0,0,0,0|1,0,0]=3 169 B8R0.3 C#CC[C@@H](N)C(=O)OC Q65834 [1,1,0,0,0,0|0,0,2]=4 170 B8R0.3 C#CC[C@H](N)C(=O)OC P40730 [1,1,0,0,0,0|0,0,2]=4 171 B8R0.3 CCCC(N)C(=O)OC P43113 [1,1,0,0,0,0|0,0,0]=2 172 B8R0.8 C#CCCC(N)C(=O)O P39732 [1,1,0,0,0,0|0,0,1]=3 173 B8R0.8 C=CCCC(N)C(=O)O P40793 [1,1,0,0,0,0|0,0,1]=3 174 B8R0.8 C=CCCC(N)C(N)=O Q65911 [1,1,0,0,0,0|1,0,1]=4 175 B8R0.8 C=CCC[C@@H](N)C(=O)O P42941 [1,1,0,0,0,0|0,0,1]=3 176 B8R0.8 C=CCC[C@H](N)C(=O)O P35206 [1,1,0,0,0,0|0,0,1]=3 177 B8R0.8 CC#CC[C@@H](N)C(=O)O Q65835 [1,1,0,0,0,0|0,0,1]=3 178 B8R0.8 CC#CC[C@H](N)C(=O)O Q65833 [1,1,0,0,0,0|0,0,1]=3 179 B8R0.8 C[Se]CC[C@H](N)C(=O)O P38844 [1,1,0,0,0,0|0,0,0]=2 180 B8R0.8 N[C@H](CCCO)C(=O)O P37057 [1,1,0,0,0,0|0,0,0]=2 181 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O M22741 [1,1,0,0,0,0|2,0,0]=4 182 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O P40814 [1,1,0,0,0,0|2,0,0]=4 183 B8R0.12 COCC(F)(F)C(=O)O F-4245 [1,1,0,0,0,0|2,0,0]=4 184 B8R0.15 CCC[C@@H](NC)C(=O)O P36548 [1,1,0,0,0,0|0,0,0]=2 185 B8R0.15 CCC[C@H](NC)C(=O)O P40204 [1,1,0,0,0,0|0,0,0]=2 186 B8R0.18 CC(C)[C@@H](CN)C(=O)O Q69066 [1,1,0,0,0,0|0,0,0]=2 187 B8R0.18 CC(C)[C@@H](CN)C(=O)O Q69069 [1,1,0,0,0,0|0,0,0]=2 188 B8R0.18 CC(C)[C@H](CN)C(=O)O Q69070 [1,1,0,0,0,0|0,0,0]=2 189 B8R0.18 CC(C)[C@H](CN)C(=O)O Q69073 [1,1,0,0,0,0|0,0,0]=2 190 B8R0.18 CNC(C(=O)O)C(C)C P39309 [1,1,0,0,0,0|0,0,0]=2 191 B8R0.18 CN[C@H](C(=O)O)C(C)C P40211 [1,1,0,0,0,0|0,0,0]=2 192 B8R0.27 CC(C)(C)C(O)C(=O)O M23224 [1,1,0,0,0,0|1,0,0]=3 193 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O P39602 [1,1,0,0,0,0|1,0,0]=3 194 B8R0.27 CC(C)(C)[C@H](O)C(=O)O P39705 [1,1,0,0,0,0|1,0,0]=3 195 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O Q68942 [1,1,0,0,0,0|0,0,0]=2 196 B8R0.27 CC(C)(O)[C@H](N)C(=O)O Q68916 [1,1,0,0,0,0|0,0,0]=2 197 B8R0.27 CC(C)(S)C(N)C(=O)O Q68947 [1,1,0,0,0,0|0,0,0]=2 198 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O I-9879 [1,1,0,0,0,0|0,0,0]=2 199 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Q68945 [1,1,0,0,0,0|0,0,0]=2 200 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Q68949 [1,1,0,0,0,0|0,0,0]=2 201 B8R0.27 NC(C(=O)O)C(F)(F)F P44707 [1,1,0,0,0,0|2,0,0]=4 202 B8R0.37 CC(C)C(C)(O)C(=O)O Q69152 [1,1,0,0,0,0|1,0,0]=3 203 B8R0.37 CC(C)[C@@](C)(N)C(=O)O Q68939 [1,1,0,0,0,0|0,0,0]=2 204 B8R0.37 CC(C)[C@](C)(N)C(=O)O Q68936 [1,1,0,0,0,0|0,0,0]=2 205 B8R0.37 CN(C)C(C)(C)C(=O)O P34770 [1,1,0,0,0,0|2,0,0]=4 206 B10R0.154 CC(C(N)C(=O)O)C(F)(F)F P40849 [0,2,0,0,0,0|1,0,0]=3 207 B8R1.1 C=CC1COC(=O)C1 F-4407 [1,0,0,1,0,0|0,0,2]=4 208 B8R1.1 CNC1CNC(=O)C1 L19088 [1,0,0,1,0,0|2,0,0]=4 209 B8R1.1 CN[C@H]1CNC(=O)C1 Q61671 [1,0,0,1,0,0|2,0,0]=4 210 B8R1.1 NCC1CNC(=O)C1 G-5016 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.1 NCC1CNC(=O)C1 G-5352 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.1 NCC1COC(=O)N1 L13942 [1,0,0,1,0,0|2,0,0]=4 213 B8R1.1 NC[C@@H]1CNC(=O)C1 I-9821 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.1 NC[C@@H]1CNC(=O)C1 L13273 [1,0,0,1,0,0|2,0,0]=4 215 B8R1.1 NC[C@H]1CNC(=O)C1 I-9497 [1,0,0,1,0,0|2,0,0]=4 216 B8R1.1 NC[C@H]1CNC(=O)C1 L13364 [1,0,0,1,0,0|2,0,0]=4 217 B8R1.1 O=C1CC(CO)CN1 M22864 [1,0,0,1,0,0|2,0,0]=4 218 B8R1.1 O=C1CC(CO)CO1 H-8701 [1,0,0,1,0,0|1,0,0]=3 219 B8R1.1 O=C1CCC(CO)C1 Q62791 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.1 O=C1CC[C@@H](CBr)C1 Q64130 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.1 O=C1CC[C@@H](CO)C1 Q62794 [1,0,0,1,0,0|2,0,0]=4 222 B8R1.1 O=C1CC[C@H](CBr)C1 Q64129 [1,0,0,1,0,0|2,0,0]=4 223 B8R1.1 O=C1CC[C@H](CO)C1 Q62792 [1,0,0,1,0,0|2,0,0]=4 224 B8R1.1 O=C1N[C@@H](CI)CO1 10034 [1,0,0,1,0,0|2,0,0]=4 225 B8R1.1 O=C1N[C@@H](CO)CO1 10001 [1,0,0,1,0,0|2,0,0]=4 226 B8R1.1 O=C1N[C@H](CO)CO1 10026 [1,0,0,1,0,0|2,0,0]=4 227 B8R1.4 CC1CC(=O)CCN1 D-2514 [1,0,0,1,0,0|2,0,0]=4 228 B8R1.4 CC1CC(=O)CCO1 A-836 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.4 CC1CCNC(=O)C1 L13355 [1,0,0,1,0,0|1,0,0]=3 230 B8R1.4 CN1CCOC(=O)C1 Q54674 [1,0,0,1,0,0|1,0,0]=3 231 B8R1.4 C[C@@H]1CC(=O)CCN1 G-7641 [1,0,0,1,0,0|2,0,0]=4 232 B8R1.4 C[C@@H]1CC(=O)CCO1 H-8404 [1,0,0,1,0,0|2,0,0]=4 233 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45249 [1,0,0,1,0,0|1,0,1]=4 234 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45891 [1,0,0,1,0,0|1,0,1]=4 235 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45486 [1,0,0,1,0,0|1,0,1]=4 236 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45892 [1,0,0,1,0,0|1,0,1]=4 237 B8R1.4 C[C@H]1CC(=O)CCN1 G-6964 [1,0,0,1,0,0|2,0,0]=4 238 B8R1.4 C[C@H]1CC(=O)CCN1 G-7640 [1,0,0,1,0,0|2,0,0]=4 239 B8R1.4 C[C@H]1CC(=O)CCN1 Q61425 [1,0,0,1,0,0|2,0,0]=4 240 B8R1.4 C[C@H]1CC(=O)CCO1 A-837 [1,0,0,1,0,0|2,0,0]=4 241 B8R1.4 C[C@H]1CCC[C@@H](O)C1 P45893 [1,0,0,1,0,0|1,0,1]=4 242 B8R1.4 C[C@H]1CCC[C@H](O)C1 P45546 [1,0,0,1,0,0|1,0,1]=4 243 B8R1.4 NC1CCCC(=O)C1 P48005 [1,0,0,1,0,0|2,0,0]=4 244 B8R1.4 NC1CCNC(=O)C1 C-2485 [1,0,0,1,0,0|2,0,0]=4 245 B8R1.4 O=C1CC(F)CCN1 Q54422 [1,0,0,1,0,0|2,0,0]=4 246 B8R1.4 O=C1CCCC(Br)C1 P45384 [1,0,0,1,0,0|2,0,0]=4 247 B8R1.4 O=C1CCCC(F)C1 P43987 [1,0,0,1,0,0|2,0,0]=4 248 B8R1.4 O=C1CCCC(O)C1 L18346 [1,0,0,1,0,0|2,0,0]=4 249 B8R1.4 O=C1CCC[C@H](O)C1 P47405 [1,0,0,1,0,0|2,0,0]=4 250 B8R1.4 O=C1CCOC(=O)C1 H-8796 [1,0,0,1,0,0|1,0,1]=4 251 B8R1.20 CC1CC1CC(=O)O O29360 [1,0,0,1,0,0|0,0,0]=2 252 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C P50610 [1,0,0,1,0,0|1,0,0]=3 253 B8R1.31 CC(=O)[C@H]1CC[C@H]1C P45662 [1,0,0,1,0,0|1,0,0]=3 254 B8R1.31 CC1CCC1C(=O)O P45629 [1,0,0,1,0,0|0,0,0]=2 255 B8R1.31 CC1NCC1C(=O)O L22133 [1,0,0,1,0,0|1,0,0]=3 256 B8R1.31 CN1CCC1C(=O)O P49637 [1,0,0,1,0,0|1,0,0]=3 257 B8R1.31 CN1CC[C@@H]1C(=O)O H-8820 [1,0,0,1,0,0|1,0,0]=3 258 B8R1.31 CN1CC[C@H]1C(=O)O H-8821 [1,0,0,1,0,0|1,0,0]=3 259 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O L14485 [1,0,0,1,0,0|1,0,0]=3 260 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O P50093 [1,0,0,1,0,0|1,0,0]=3 261 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O K13449 [1,0,0,1,0,0|1,0,0]=3 262 B8R1.31 NC(=O)C1CCC1N F-4228 [1,0,0,1,0,0|2,0,0]=4 263 B8R1.31 NC1CCC1C(=O)O P47809 [1,0,0,1,0,0|1,0,0]=3 264 B8R1.31 NC1COC1C(=O)O Q56135 [1,0,0,1,0,0|2,0,0]=4 265 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O P45363 [1,0,0,1,0,0|1,0,0]=3 266 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O L13901 [1,0,0,1,0,0|1,0,0]=3 267 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O P44744 [1,0,0,1,0,0|1,0,0]=3 268 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O P45102 [1,0,0,1,0,0|1,0,0]=3 269 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O Q52861 [1,0,0,1,0,0|2,0,0]=4 270 B8R1.31 N[C@@H]1CO[C@H]1C(=O)O Q52863 [1,0,0,1,0,0|2,0,0]=4 271 B8R1.31 N[C@@H]1CO[C@H]1C(=O)O Q54778 [1,0,0,1,0,0|2,0,0]=4 272 B8R1.31 N[C@H]1CC[C@H]1C(=O)O L21391 [1,0,0,1,0,0|1,0,0]=3 273 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P45103 [1,0,0,1,0,0|1,0,0]=3 274 B8R1.31 N[C@H]1CC[C@H]1C(=O)O Q53487 [1,0,0,1,0,0|1,0,0]=3 275 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O Q52864 [1,0,0,1,0,0|2,0,0]=4 276 B8R1.31 N[C@H]1CO[C@H]1C(=O)O Q52862 [1,0,0,1,0,0|2,0,0]=4 277 B8R1.31 N[C@H]1CO[C@H]1C(=O)O Q54777 [1,0,0,1,0,0|2,0,0]=4 278 B8R1.31 O=C(O)C1CCC1F P47126 [1,0,0,1,0,0|1,0,0]=3 279 B8R1.31 O=C(O)C1CCC1O P49194 [1,0,0,1,0,0|1,0,0]=3 280 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O P48368 [1,0,0,1,0,0|1,0,0]=3 281 B8R1.34 CC(=O)CC1CCC1 P48892 [1,0,0,1,0,0|1,0,0]=3 282 B8R1.34 N=C(N)CC1CCC1 P48135 [1,0,0,1,0,0|2,0,0]=4 283 B8R1.34 NC(=O)CC1CNC1 P47102 [1,0,0,1,0,0|2,0,0]=4 284 B8R1.34 NC(=O)CC1CNC1 P48716 [1,0,0,1,0,0|2,0,0]=4 285 B8R1.34 NC(=O)NC1CCC1 P45216 [1,0,0,1,0,0|2,0,0]=4 286 B8R1.34 O=C(O)C=C1CCC1 G-6914 [1,0,0,1,0,0|0,0,2]=4 287 B8R1.34 O=C(O)CC1CCC1 P44572 [1,0,0,1,0,0|0,0,0]=2 288 B8R1.34 O=C(O)CC1CCN1 P44826 [1,0,0,1,0,0|1,0,0]=3 289 B8R1.34 O=C(O)CC1CCO1 F-4762 [1,0,0,1,0,0|1,0,0]=3 290 B8R1.34 O=C(O)CC1CNC1 G-7532 [1,0,0,1,0,0|1,0,0]=3 291 B8R1.34 O=C(O)CC1CNC1 M22650 [1,0,0,1,0,0|1,0,0]=3 292 B8R1.34 O=C(O)CC1CNC1 P46867 [1,0,0,1,0,0|1,0,0]=3 293 B8R1.34 O=C(O)CC1COC1 F-4181 [1,0,0,1,0,0|1,0,0]=3 294 B8R1.34 O=C(O)CN1CCC1 H-8105 [1,0,0,1,0,0|1,0,0]=3 295 B8R1.34 O=C(O)C[C@@H]1CCO1 Q56144 [1,0,0,1,0,0|1,0,0]=3 296 B8R1.34 O=C(O)C[C@H]1CCO1 Q56143 [1,0,0,1,0,0|1,0,0]=3 297 B8R1.43 N#CC1CC1C(=O)O P43783 [1,0,0,1,0,0|1,0,1]=4 298 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O L14217 [1,0,0,1,0,0|1,0,1]=4 299 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O L22404 [1,0,0,1,0,0|1,0,1]=4 300 B8R1.43 NCC1CC1C(=O)O Q52566 [1,0,0,1,0,0|1,0,0]=3 301 B8R1.62 CC1(CO)CC(=O)C1 G-7478 [1,0,0,1,0,0|2,0,0]=4 302 B8R1.5 CC1CCCNC1=O L13669 [1,0,0,1,0,0|2,0,0]=4 303 B8R1.5 NC1CCCCC1=O P45934 [1,0,0,1,0,0|1,0,0]=3 304 B8R1.5 NN1CCCCC1=O B-1138 [1,0,0,1,0,0|2,0,0]=4 305 B8R1.5 N[C@@H]1CCCC[C@@H]1O P46454 [1,0,0,1,0,0|1,0,1]=4 306 B8R1.5 N[C@@H]1CCCC[C@@H]1O P49846 [1,0,0,1,0,0|1,0,1]=4 307 B8R1.5 N[C@@H]1CCCC[C@H]1O P48754 [1,0,0,1,0,0|1,0,1]=4 308 B8R1.5 N[C@@H]1CCCNC1=O O34375 [1,0,0,1,0,0|1,0,0]=3 309 B8R1.5 N[C@H]1CCCC[C@@H]1O P44501 [1,0,0,1,0,0|1,0,1]=4 310 B8R1.5 N[C@H]1CCCC[C@H]1O P45876 [1,0,0,1,0,0|1,0,1]=4 311 B8R1.5 N[C@H]1CCCC[C@H]1O P46705 [1,0,0,1,0,0|1,0,1]=4 312 B8R1.5 N[C@H]1CCCNC1=O O34462 [1,0,0,1,0,0|1,0,0]=3 313 B8R1.5 O=C1CCCCC1Br L21639 [1,0,0,1,0,0|2,0,0]=4 314 B8R1.5 O=C1CCCCC1F P45307 [1,0,0,1,0,0|2,0,0]=4 315 B8R1.5 O=C1NCCCC1Br L18696 [1,0,0,1,0,0|2,0,0]=4 316 B8R1.5 O=C1NCCC[C@@H]1O P36280 [1,0,0,1,0,0|2,0,0]=4 317 B8R1.5 O=C1NCCC[C@H]1O P39619 [1,0,0,1,0,0|2,0,0]=4 318 B8R1.5 O=C1OCCCC1Br L20669 [1,0,0,1,0,0|1,0,0]=3 319 B8R1.7 CC(=O)C1CCCN1 P37169 [1,0,0,1,0,0|1,0,0]=3 320 B8R1.7 CC(=O)C1CCCN1 Q61985 [1,0,0,1,0,0|1,0,0]=3 321 B8R1.7 CC(=O)C1NCCS1 M15825 [1,0,0,1,0,0|2,0,0]=4 322 B8R1.7 CC(=O)[C@@H]1CCCN1 Q61986 [1,0,0,1,0,0|1,0,0]=3 323 B8R1.7 CC(=O)[C@@H]1CCCN1 Q62844 [1,0,0,1,0,0|1,0,0]=3 324 B8R1.7 CC(=O)[C@H]1CCCN1 Q62845 [1,0,0,1,0,0|1,0,0]=3 325 B8R1.7 NC(=O)C1CCCC1 P38833 [1,0,0,1,0,0|2,0,0]=4 326 B8R1.7 NC(=O)C1CCCN1 P39079 [1,0,0,1,0,0|1,0,0]=3 327 B8R1.7 NC(=O)C1CCCN1 P42514 [1,0,0,1,0,0|1,0,0]=3 328 B8R1.7 NC(=O)[C@@H]1CCCN1 I-9393 [1,0,0,1,0,0|1,0,0]=3 329 B8R1.7 NC(=O)[C@@H]1CCCN1 P45231 [1,0,0,1,0,0|1,0,0]=3 330 B8R1.7 O=C(O)C1CCNC1 G-5249 [1,0,0,1,0,0|2,0,0]=4 331 B8R1.7 O=C(O)C1CCOC1 C-3386 [1,0,0,1,0,0|2,0,0]=4 332 B8R1.7 O=C(O)C1SCCS1 L19481 [1,0,0,1,0,0|2,0,0]=4 333 B8R1.7 O=C(O)[C@@H]1C=CCN1 P39990 [1,0,0,1,0,0|0,0,2]=4 334 B8R1.7 O=C(O)[C@@H]1CCCN1 L13796 [1,0,0,1,0,0|0,0,0]=2 335 B8R1.7 O=C(O)[C@@H]1CCNC1 L18435 [1,0,0,1,0,0|2,0,0]=4 336 B8R1.7 O=C(O)[C@@H]1CCNC1 Q51834 [1,0,0,1,0,0|2,0,0]=4 337 B8R1.7 O=C(O)[C@@H]1CCOC1 C-2786 [1,0,0,1,0,0|2,0,0]=4 338 B8R1.7 O=C(O)[C@H]1C=CCN1 M22943 [1,0,0,1,0,0|0,0,2]=4 339 B8R1.7 O=C(O)[C@H]1CCNC1 G-5250 [1,0,0,1,0,0|2,0,0]=4 340 B8R1.7 O=C(O)[C@H]1CCNC1 P45277 [1,0,0,1,0,0|2,0,0]=4 341 B8R1.7 O=C(O)[C@H]1CCOC1 C-2785 [1,0,0,1,0,0|2,0,0]=4 342 B8R1.23 CC1CC(C(=O)O)C1 L14063 [1,0,0,1,0,0|1,0,0]=3 343 B8R1.23 CN1CC(C(=O)O)C1 C-2243 [1,0,0,1,0,0|2,0,0]=4 344 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 G-6829 [1,0,0,1,0,0|1,0,0]=3 345 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 G-6830 [1,0,0,1,0,0|1,0,0]=3 346 B8R1.23 NC1CC(C(=O)O)C1 G-7780 [1,0,0,1,0,0|2,0,0]=4 347 B8R1.23 NC1CC(C(=O)O)C1 P47808 [1,0,0,1,0,0|2,0,0]=4 348 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 C-2277 [1,0,0,1,0,0|2,0,0]=4 349 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 C-2277-1 [1,0,0,1,0,0|2,0,0]=4 350 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 C-2278 [1,0,0,1,0,0|2,0,0]=4 351 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P44571 [1,0,0,1,0,0|2,0,0]=4 352 B8R1.23 O=C(O)C1CC(Cl)C1 F-4598 [1,0,0,1,0,0|2,0,0]=4 353 B8R1.23 O=C(O)C1CC(F)C1 D-2564 [1,0,0,1,0,0|2,0,0]=4 354 B8R1.23 O=C(O)C1CC(O)C1 A-876 [1,0,0,1,0,0|2,0,0]=4 355 B8R1.23 O=C(O)C1CC(O)C1 F-4100 [1,0,0,1,0,0|2,0,0]=4 356 B8R1.23 O=C(O)C1CC(O)C1 F-4101 [1,0,0,1,0,0|2,0,0]=4 357 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 L21925 [1,0,0,1,0,0|2,0,0]=4 358 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 L14175 [1,0,0,1,0,0|2,0,0]=4 359 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 L21353 [1,0,0,1,0,0|2,0,0]=4 360 B8R1.23 O=C1CC(C(=O)O)N1 P34768 [1,0,0,1,0,0|1,0,1]=4 361 B8R1.23 O=C1C[C@@H](C(=O)O)N1 I-9933 [1,0,0,1,0,0|1,0,1]=4 362 B8R1.23 O=C1C[C@H](C(=O)O)N1 I-9634 [1,0,0,1,0,0|1,0,1]=4 363 B8R1.54 NC(=O)C(N)C1CC1 L20769 [1,0,0,1,0,0|1,0,0]=3 364 B8R1.54 NC(C(=O)O)C1CC1 O27895 [1,0,0,1,0,0|0,0,0]=2 365 B8R1.54 N[C@@H](C(=O)O)C1CC1 G-5951 [1,0,0,1,0,0|0,0,0]=2 366 B8R1.54 N[C@H](C(=O)O)C1CC1 O28968 [1,0,0,1,0,0|0,0,0]=2 367 B8R1.78 CC1(C(=O)O)CCC1 G-6550 [1,0,0,1,0,0|1,0,0]=3 368 B8R1.78 CC1(C(=O)O)CCN1 P50169 [1,0,0,1,0,0|2,0,0]=4 369 B8R1.78 CC1(C(=O)O)CCO1 Q56227 [1,0,0,1,0,0|2,0,0]=4 370 B8R1.78 CC1(C(=O)O)CNC1 L18025 [1,0,0,1,0,0|2,0,0]=4 371 B8R1.78 CC1(C(=O)O)CNC1 O28316 [1,0,0,1,0,0|2,0,0]=4 372 B8R1.78 CC1(C(=O)O)COC1 C-2391 [1,0,0,1,0,0|2,0,0]=4 373 B8R1.78 NC(=O)C1(Br)CCC1 P45535 [1,0,0,1,0,0|2,0,0]=4 374 B8R1.78 NC(=O)C1(N)CCC1 L20709 [1,0,0,1,0,0|1,0,0]=3 375 B8R1.78 NC(=O)C1(N)CCC1 P44318 [1,0,0,1,0,0|1,0,0]=3 376 B8R1.78 NC(=O)C1(N)CNC1 P48442 [1,0,0,1,0,0|2,0,0]=4 377 B8R1.78 NC(=O)C1(O)CCC1 P49176 [1,0,0,1,0,0|2,0,0]=4 378 B8R1.78 NC1(C(=O)F)CCC1 P46353 [1,0,0,1,0,0|1,0,0]=3 379 B8R1.78 NC1(C(=O)O)CCC1 G-7616 [1,0,0,1,0,0|0,0,0]=2 380 B8R1.78 NC1(C(=O)O)CCC1 L13534 [1,0,0,1,0,0|0,0,0]=2 381 B8R1.78 NC1(C(=O)O)CNC1 C-3611 [1,0,0,1,0,0|1,0,0]=3 382 B8R1.78 NC1(C(=O)O)COC1 C-3395 [1,0,0,1,0,0|1,0,0]=3 383 B8R1.78 NC1(C(=O)O)CSC1 Q56475 [1,0,0,1,0,0|1,0,0]=3 384 B8R1.78 NC1(C(=O)O)CSC1 Q56476 [1,0,0,1,0,0|1,0,0]=3 385 B8R1.78 O=C(O)C1(Br)CCC1 Q56884 [1,0,0,1,0,0|1,0,0]=3 386 B8R1.78 O=C(O)C1(F)CCC1 P46428 [1,0,0,1,0,0|1,0,0]=3 387 B8R1.78 O=C(O)C1(F)CNC1 G-7923 [1,0,0,1,0,0|2,0,0]=4 388 B8R1.78 O=C(O)C1(O)CCC1 L14796 [1,0,0,1,0,0|1,0,0]=3 389 B8R1.78 O=C(O)C1(O)CNC1 L18244 [1,0,0,1,0,0|2,0,0]=4 390 B8R1.78 O=C(O)C1(O)COC1 L21345 [1,0,0,1,0,0|2,0,0]=4 391 B8R1.78 O=C(O)C1(S)CCC1 P47778 [1,0,0,1,0,0|1,0,0]=3 392 B8R1.11 OCC1NCCC1F Q59328 [1,0,0,1,0,0|1,0,1]=4 393 B8R1.11 OC[C@H]1NCC[C@@H]1O S72491 [1,0,0,1,0,0|1,0,1]=4 394 B8R1.38 NC(CO)C1CCC1 P41858 [1,0,0,1,0,0|0,0,1]=3 395 B8R1.38 NCC(N)C1CCC1 P47103 [1,0,0,1,0,0|1,0,1]=4 396 B8R1.38 NCC(N)C1CCC1 P48948 [1,0,0,1,0,0|1,0,1]=4 397 B8R1.38 N[C@@H](CO)C1CCC1 P42021 [1,0,0,1,0,0|0,0,1]=3 398 B8R1.38 N[C@H](CO)C1CCC1 P42020 [1,0,0,1,0,0|0,0,1]=3 399 B8R1.38 OCC(O)C1CCC1 P44874 [1,0,0,1,0,0|1,0,1]=4 400 B8R1.50 CC1C(=O)CCN1C Q52697 [1,0,0,1,0,0|2,0,0]=4 401 B8R1.50 C[C@@H]1CC[C@@H](O)[C@H]1N Q53610 [1,0,0,1,0,0|0,0,1]=3 402 B8R1.50 C[C@H]1CC[C@H](O)[C@@H]1N Q53609 [1,0,0,1,0,0|0,0,1]=3 403 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53540 [1,0,0,1,0,0|2,0,0]=4 404 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53541 [1,0,0,1,0,0|2,0,0]=4 405 B8R1.58 CCC1(C)OCC1N Q55852 [1,0,0,1,0,0|0,0,1]=3 406 B10R1.64 CC1CCCC1CC(=O)O O29673 [0,0,0,1,0,1|1,0,0]=3 407 B10R1.64 CN1CCCC1CC(=O)O Q66259 [0,0,0,1,0,1|2,0,0]=4 408 B10R1.194 CC1CC[C@@H](C(=O)O)N1C Q61630 [0,0,0,1,0,1|2,0,0]=4 409 B10R1.194 C[C@@H]1CC[C@@H](C(=O)O)N1C L14511 [0,0,0,1,0,1|2,0,0]=4 410 B10R1.194 C[C@H]1CC[C@@H](C(=O)O)N1C L14374 [0,0,0,1,0,1|2,0,0]=4 411 B10R1.194 C[C@H]1CC[C@@H](C(=O)O)N1C Q61618 [0,0,0,1,0,1|2,0,0]=4 412 B10R1.266 CN(CC(=O)O)C1CCC1 P47997 [0,0,0,1,0,1|2,0,0]=4 413 B10R1.266 NC(CC(=O)O)C1CCC1 P35391 [0,0,0,1,0,1|0,0,0]=2 414 B10R1.31 COC1CCC(C(=O)O)C1 Q56979 [0,0,0,1,0,1|2,0,0]=4 415 B10R1.31 COC1CNC(C(=O)O)C1 Q59289 [0,0,0,1,0,1|1,0,0]=3 416 B10R1.31 COC1CNC(C(N)=O)C1 Q59305 [0,0,0,1,0,1|2,0,0]=4 417 B10R1.31 CO[C@@H]1CC[C@@H](C(=O)O)C1 Q56980 [0,0,0,1,0,1|2,0,0]=4 418 B10R1.31 CO[C@@H]1CC[C@@H](C(=O)O)C1 Q63416 [0,0,0,1,0,1|2,0,0]=4 419 B10R1.31 CO[C@@H]1CC[C@H](C(=O)O)C1 Q56978 [0,0,0,1,0,1|2,0,0]=4 420 B10R1.31 CO[C@@H]1CC[C@H](C(=O)O)C1 Q63417 [0,0,0,1,0,1|2,0,0]=4 421 B10R1.31 CO[C@@H]1CN[C@H](C(=O)O)C1 Q66169 [0,0,0,1,0,1|1,0,0]=3 422 B10R1.31 CO[C@H]1CC[C@@H](C(=O)O)C1 Q63418 [0,0,0,1,0,1|2,0,0]=4 423 B10R1.31 CO[C@H]1CC[C@H](C(=O)O)C1 Q63415 [0,0,0,1,0,1|2,0,0]=4 424 B10R1.113 CC1CC(C(=O)O)CCN1 Q55487 [0,0,0,1,0,1|2,0,0]=4 425 B10R1.113 CC1CC(C(=O)O)CCO1 Q61449 [0,0,0,1,0,1|2,0,0]=4 426 B10R1.113 CC1CCNC(C(=O)O)C1 Q61262 [0,0,0,1,0,1|0,0,0]=2 427 B10R1.113 CC1CCNC(C(=O)O)C1 Q61263 [0,0,0,1,0,1|0,0,0]=2 428 B10R1.113 CN1CCCC(C(=O)O)C1 L13505 [0,0,0,1,0,1|2,0,0]=4 429 B10R1.113 CN1CCC[C@@H](C(=O)O)C1 L14828 [0,0,0,1,0,1|2,0,0]=4 430 B10R1.113 CN1CCC[C@H](C(=O)O)C1 L14829 [0,0,0,1,0,1|2,0,0]=4 431 B10R1.113 CN1CCOC(C(=O)O)C1 P35866 [0,0,0,1,0,1|2,0,0]=4 432 B10R1.113 C[C@@H]1CCC[C@H](C(=O)O)C1 P46944 [0,0,0,1,0,1|1,0,0]=3 433 B10R1.113 C[C@@H]1CCN[C@H](C(=O)O)C1 Q61267 [0,0,0,1,0,1|0,0,0]=2 434 B10R1.113 C[C@@H]1CNC[C@@H](C(=O)O)C1 Q52365 [0,0,0,1,0,1|2,0,0]=4 435 B10R1.113 C[C@@H]1CNC[C@H](C(=O)O)C1 Q52364 [0,0,0,1,0,1|2,0,0]=4 436 B10R1.113 C[C@H]1CCN[C@@H](C(=O)O)C1 Q61264 [0,0,0,1,0,1|0,0,0]=2 437 B10R1.113 C[C@H]1CCN[C@@H](C(=O)O)C1 Q61266 [0,0,0,1,0,1|0,0,0]=2 438 B10R1.113 C[C@H]1CCN[C@H](C(=O)O)C1 Q61265 [0,0,0,1,0,1|0,0,0]=2 439 B10R1.113 C[C@H]1CCOC(C(=O)O)C1 Q57859 [0,0,0,1,0,1|1,0,0]=3 440 B10R1.113 C[C@H]1CCO[C@H](C(=O)O)C1 Q57865 [0,0,0,1,0,1|1,0,0]=3 441 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 Q52367 [0,0,0,1,0,1|2,0,0]=4 442 B10R1.113 C[C@H]1CNC[C@H](C(=O)O)C1 Q52366 [0,0,0,1,0,1|2,0,0]=4 443 B10R1.113 NC1CCCC(C(=O)O)C1 P44660 [0,0,0,1,0,1|2,0,0]=4 444 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 10035 [0,0,0,1,0,1|2,0,0]=4 445 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 I-9369 [0,0,0,1,0,1|2,0,0]=4 446 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 P44816 [0,0,0,1,0,1|2,0,0]=4 447 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 L13283 [0,0,0,1,0,1|2,0,0]=4 448 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 P44485 [0,0,0,1,0,1|2,0,0]=4 449 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 10033 [0,0,0,1,0,1|2,0,0]=4 450 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 I-9281 [0,0,0,1,0,1|2,0,0]=4 451 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 I-9805 [0,0,0,1,0,1|2,0,0]=4 452 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P44486 [0,0,0,1,0,1|2,0,0]=4 453 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 I-9245 [0,0,0,1,0,1|2,0,0]=4 454 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P44237 [0,0,0,1,0,1|2,0,0]=4 455 B10R1.113 O=C(O)C1CC(F)CCN1 Q54386 [0,0,0,1,0,1|1,0,0]=3 456 B10R1.113 O=C(O)C1CC(F)CCO1 Q64671 [0,0,0,1,0,1|2,0,0]=4 457 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](O)C1 P46948 [0,0,0,1,0,1|2,0,0]=4 458 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 O33392 [0,0,0,1,0,1|2,0,0]=4 459 B10R1.113 O=C(O)[C@H]1CCC[C@@H](O)C1 O33391 [0,0,0,1,0,1|2,0,0]=4 460 B10R1.113 O=C(O)[C@H]1CCC[C@H](O)C1 P49269 [0,0,0,1,0,1|2,0,0]=4 461 B10R1.113 O=C(O)[C@H]1C[C@H](O)CCN1 Q65170 [0,0,0,1,0,1|1,0,0]=3 462 B10R1.113 O=C1CCNC(C(=O)O)C1 Q55043 [0,0,0,1,0,1|1,0,1]=4 463 B10R1.113 O=C1CCNC(C(=O)O)C1 S72456 [0,0,0,1,0,1|1,0,1]=4 464 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 M23516 [0,0,0,1,0,1|1,0,1]=4 465 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 M23534 [0,0,0,1,0,1|1,0,1]=4 466 B10R1.176 CCC1CCC(=O)C(N)C1 Q59795 [0,0,0,1,0,1|1,0,0]=3 467 B10R1.204 CC(NC1COC1)C(=O)O Q58504 [0,0,0,1,0,1|2,0,0]=4 468 B10R1.204 NC(CC1CCC1)C(=O)O O28943 [0,0,0,1,0,1|0,0,0]=2 469 B10R1.204 NC(CC1CCC1)C(=O)O P45326 [0,0,0,1,0,1|0,0,0]=2 470 B10R1.204 N[C@@H](CC1CCC1)C(=O)O P34724 [0,0,0,1,0,1|0,0,0]=2 471 B10R1.204 N[C@H](CC1CCC1)C(=O)O O28407 [0,0,0,1,0,1|0,0,0]=2 472 B10R1.204 O=C(O)[C@@H](O)CC1CCC1 P43161 [0,0,0,1,0,1|1,0,0]=3 473 B10R1.204 O=C(O)[C@H](O)CC1CCC1 P44062 [0,0,0,1,0,1|1,0,0]=3 474 B10R1.235 CCC1(F)CC(C(=O)O)C1 P46356 [0,0,0,1,0,1|2,0,0]=4 475 B10R1.235 CC[C@]1(F)C[C@@H](C(=O)O)C1 P46293 [0,0,0,1,0,1|2,0,0]=4 476 B10R1.235 CC[C@]1(F)C[C@H](C(=O)O)C1 P46367 [0,0,0,1,0,1|2,0,0]=4 477 B10R1.470 CN1CCC(C)(C(=O)O)C1 O30288 [0,0,0,1,0,1|2,0,0]=4 478 B10R1.470 CN1CCC(F)(C(=O)O)C1 Q63434 [0,0,0,1,0,1|2,0,0]=4 479 B10R1.470 C[C@]1(C(=O)O)CC[C@H](N)C1 Q57021 [0,0,0,1,0,1|2,0,0]=4 480 B10R1.490 COC1CC(N)(C(=O)O)C1 P47363 [0,0,0,1,0,1|1,0,0]=3 481 B10R1.490 CO[C@H]1C[C@@](N)(C(=O)O)C1 P46047 [0,0,0,1,0,1|1,0,0]=3 482 B10R1.490 CO[C@H]1C[C@](N)(C(=O)O)C1 P45958 [0,0,0,1,0,1|1,0,0]=3 483 B10R1.490 NC1(C(=O)O)CC(CO)C1 L14797 [0,0,0,1,0,1|1,0,0]=3 484 B10R1.490 N[C@]1(C(=O)O)C[C@@H](CF)C1 P45616 [0,0,0,1,0,1|1,0,0]=3 485 B10R1.490 N[C@]1(C(=O)O)C[C@@H](CO)C1 O33374 [0,0,0,1,0,1|1,0,0]=3 486 B10R1.490 N[C@]1(C(=O)O)C[C@H](CF)C1 P45617 [0,0,0,1,0,1|1,0,0]=3 487 B10R1.490 N[C@]1(C(=O)O)C[C@H](CO)C1 P49806 [0,0,0,1,0,1|1,0,0]=3 488 B10R1.490 N[C@]1(C(=O)O)C[C@H](CO)C1 P49809 [0,0,0,1,0,1|1,0,0]=3 489 B10R1.23 CC(C(=O)O)N1CCCC1 Q60520 [0,1,0,1,0,0|2,0,0]=4 490 B10R1.23 C[C@@H](C(=O)O)N1CCCC1 Q60766 [0,1,0,1,0,0|2,0,0]=4 491 B10R1.23 NC(C(=O)O)C1CCCC1 O27933 [0,1,0,1,0,0|0,0,0]=2 492 B10R1.23 NC(C(=O)O)C1CCNC1 P42247 [0,1,0,1,0,0|0,0,0]=2 493 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 O28834 [0,1,0,1,0,0|0,0,0]=2 494 B10R1.23 O=C(O)C(Br)C1CCCC1 F-4556 [0,1,0,1,0,0|1,0,0]=3 495 B10R1.23 O=C(O)C(O)C1CCCC1 Q59151 [0,1,0,1,0,0|1,0,0]=3 496 B10R1.23 O=C(O)C(O)C1CCNC1 Q59212 [0,1,0,1,0,0|1,0,0]=3 497 B10R1.59 CN1C[C@@H](O)C[C@H]1C(=O)O Q60759 [0,1,0,1,0,0|2,0,0]=4 498 B10R1.59 CN1C[C@H](O)C[C@H]1C(=O)O Q60702 [0,1,0,1,0,0|2,0,0]=4 499 B10R1.59 C[C@@H]1C[C@@H](C(=O)O)N(C)C1 L14488 [0,1,0,1,0,0|2,0,0]=4 500 B10R1.59 C[C@H]1C[C@@H](C(=O)O)N(C)C1 L14434 [0,1,0,1,0,0|2,0,0]=4 501 B10R1.59 C[C@H]1C[C@@H](C(=O)O)N(C)C1 Q61617 [0,1,0,1,0,0|2,0,0]=4 502 B10R1.61 CN1CCCC[C@@H]1C(=O)O P51590 [0,1,0,1,0,0|2,0,0]=4 503 B10R1.61 CN1CCCC[C@H]1C(=O)O Q65384 [0,1,0,1,0,0|2,0,0]=4 504 B10R1.61 CN1CCNCC1C(=O)O F-4533 [0,1,0,1,0,0|1,0,0]=3 505 B10R1.61 C[C@@H]1CC=CC[C@H]1C(=O)O P44470 [0,1,0,1,0,0|1,0,1]=4 506 B10R1.61 C[C@@H]1OCCN[C@H]1C(=O)O B-1261 [0,1,0,1,0,0|0,0,0]=2 507 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O B-1260 [0,1,0,1,0,0|0,0,0]=2 508 B10R1.61 NC1CCCCC1C(=O)O P44627 [0,1,0,1,0,0|2,0,0]=4 509 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O O34530 [0,1,0,1,0,0|2,0,0]=4 510 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O P44580 [0,1,0,1,0,0|2,0,0]=4 511 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O P51569 [0,1,0,1,0,0|2,0,0]=4 512 B10R1.61 N[C@@H]1CCOC[C@@H]1C(=O)O Q54502 [0,1,0,1,0,0|2,0,0]=4 513 B10R1.61 N[C@@H]1CCOC[C@@H]1C(=O)O Q54503 [0,1,0,1,0,0|2,0,0]=4 514 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O P45461 [0,1,0,1,0,0|2,0,0]=4 515 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O Q70134 [0,1,0,1,0,0|2,0,0]=4 516 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O O34271 [0,1,0,1,0,0|2,0,0]=4 517 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O O34544 [0,1,0,1,0,0|2,0,0]=4 518 B10R1.61 N[C@H]1CCOC[C@H]1C(=O)O Q54604 [0,1,0,1,0,0|2,0,0]=4 519 B10R1.61 N[C@H]1CCOC[C@H]1C(=O)O Q54605 [0,1,0,1,0,0|2,0,0]=4 520 B10R1.61 O=C(O)C1CCCCC1O P45410 [0,1,0,1,0,0|2,0,0]=4 521 B10R1.61 O=C(O)C1CCNCC1F M23597 [0,1,0,1,0,0|2,0,0]=4 522 B10R1.61 O=C(O)[C@@H]1NCCC[C@@H]1O Q61223 [0,1,0,1,0,0|1,0,0]=3 523 B10R1.61 O=C(O)[C@@H]1NCCC[C@@H]1O Q70051 [0,1,0,1,0,0|1,0,0]=3 524 B10R1.61 O=C(O)[C@@H]1NCCC[C@H]1O Q61220 [0,1,0,1,0,0|1,0,0]=3 525 B10R1.61 O=C(O)[C@@H]1NCCC[C@H]1O Q61224 [0,1,0,1,0,0|1,0,0]=3 526 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O Q61221 [0,1,0,1,0,0|1,0,0]=3 527 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O Q61222 [0,1,0,1,0,0|1,0,0]=3 528 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O Q70050 [0,1,0,1,0,0|1,0,0]=3 529 B10R1.81 NC(C(=O)O)C1CC(F)C1 P50341 [0,1,0,1,0,0|0,0,0]=2 530 B10R1.86 CCCN1CCC1C(=O)O P48974 [0,1,0,1,0,0|2,0,0]=4 531 B10R1.86 CCCN1CC[C@H]1C(=O)O L14234 [0,1,0,1,0,0|2,0,0]=4 532 B10R1.86 O=C(O)[C@@H]1CCN1CCF L14458 [0,1,0,1,0,0|2,0,0]=4 533 B10R1.291 CC1(C(=O)O)CCCC1N Q57375 [0,1,0,1,0,0|2,0,0]=4 534 B10R1.291 CC1(C(=O)O)CCCC1N Q57376 [0,1,0,1,0,0|2,0,0]=4 535 B10R1.291 C[C@@]1(C(=O)O)CCC[C@@H]1N H-8163 [0,1,0,1,0,0|2,0,0]=4 536 B10R1.291 C[C@H]1CNC[C@]1(C)C(=O)O Q62192 [0,1,0,1,0,0|1,0,0]=3 537 B10R1.495 CC1(C(N)C(=O)O)COC1 L21401 [0,1,0,1,0,0|0,0,0]=2 538 B10R1.495 NC(C(=O)O)C1(F)COC1 Q55168 [0,1,0,1,0,0|1,0,0]=3 539 B10R1.149 COC(=O)C1CCCC1N Q59156 [0,1,0,1,0,0|2,0,0]=4 540 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N I-9886 [0,1,0,1,0,0|2,0,0]=4 541 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N Q53695 [0,1,0,1,0,0|2,0,0]=4 542 B10R1.149 COC(=O)[C@@H]1CNC[C@H]1C Q61693 [0,1,0,1,0,0|2,0,0]=4 543 B10R1.149 COC(=O)[C@@H]1CNC[C@H]1C Q61694 [0,1,0,1,0,0|2,0,0]=4 544 B10R1.149 COC(=O)[C@@H]1NCC[C@@H]1O I-9987 [0,1,0,1,0,0|1,0,0]=3 545 B10R1.149 COC(=O)[C@@H]1NCC[C@@H]1O Q52004 [0,1,0,1,0,0|1,0,0]=3 546 B10R1.149 COC(=O)[C@@H]1NCC[C@@H]1O Q54361 [0,1,0,1,0,0|1,0,0]=3 547 B10R1.149 COC(=O)[C@@H]1NCC[C@H]1O L22224 [0,1,0,1,0,0|1,0,0]=3 548 B10R1.149 COC(=O)[C@@H]1NCC[C@H]1O Q52268 [0,1,0,1,0,0|1,0,0]=3 549 B10R1.149 COC(=O)[C@H]1CCC[C@@H]1N Q53693 [0,1,0,1,0,0|2,0,0]=4 550 B10R1.149 COC(=O)[C@H]1CCC[C@@H]1N Q53694 [0,1,0,1,0,0|2,0,0]=4 551 B10R1.149 COC(=O)[C@H]1CCN[C@H]1C Q62185 [0,1,0,1,0,0|2,0,0]=4 552 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C L21772 [0,1,0,1,0,0|2,0,0]=4 553 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C Q61695 [0,1,0,1,0,0|2,0,0]=4 554 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1O L22267 [0,1,0,1,0,0|1,0,0]=3 555 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1O Q54360 [0,1,0,1,0,0|1,0,0]=3 556 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1O Q56536 [0,1,0,1,0,0|1,0,0]=3 557 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O Q56537 [0,1,0,1,0,0|1,0,0]=3 558 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O Q56538 [0,1,0,1,0,0|1,0,0]=3 559 B10R1.175 COC(=O)C1CCC1CN P47646 [0,1,0,1,0,0|2,0,0]=4 560 B10R1.182 COC(=O)C(C)C1CNC1 P50127 [0,1,0,1,0,0|2,0,0]=4 561 B10R1.182 COC(=O)C(N)C1CCC1 P41049 [0,1,0,1,0,0|0,0,0]=2 562 B10R1.182 COC(=O)C(N)C1COC1 G-7245 [0,1,0,1,0,0|1,0,0]=3 563 B10R1.182 COC(=O)C(N)C1COC1 Q52416 [0,1,0,1,0,0|1,0,0]=3 564 B10R1.182 COC(=O)[C@@H](N)C1COC1 Q62632 [0,1,0,1,0,0|1,0,0]=3 565 B10R1.182 COC(=O)[C@H](N)C1COC1 Q62631 [0,1,0,1,0,0|1,0,0]=3 566 B10R1.354 CC(C)(C(=O)O)C1CCC1 P47805 [0,1,0,1,0,0|1,0,0]=3 567 B10R1.354 CC(C)(C(=O)O)C1CNC1 P43771 [0,1,0,1,0,0|2,0,0]=4 568 B10R1.354 CC(C)(C(=O)O)C1CNC1 P50636 [0,1,0,1,0,0|2,0,0]=4 569 B10R1.354 O=C(O)C(F)(F)C1CCC1 K12375 [0,1,0,1,0,0|1,0,0]=3 570 B10R1.354 O=C(O)C(F)(F)C1COC1 Q63101 [0,1,0,1,0,0|2,0,0]=4 571 B10R1.451 N[C@@]1(C(=O)O)CC[C@@H]1CO P45425 [0,1,0,1,0,0|0,0,0]=2 572 B10R1.451 N[C@@]1(C(=O)O)CC[C@H]1CO P45424 [0,1,0,1,0,0|0,0,0]=2 573 B10R1.451 N[C@]1(C(=O)O)CC[C@@H]1CO P45422 [0,1,0,1,0,0|0,0,0]=2 574 B10R1.451 N[C@]1(C(=O)O)CC[C@H]1CO P45423 [0,1,0,1,0,0|0,0,0]=2 575 B10R1.39 CCC1=C(C(=O)O)CNC1 Q53012 [0,1,0,1,0,0|0,0,2]=4 576 B10R1.39 CC[C@H]1CNC[C@H]1C(=O)O Q53013 [0,1,0,1,0,0|0,0,0]=2 577 B10R1.39 CO[C@@H]1CCC[C@@H]1C(=O)O Q63428 [0,1,0,1,0,0|1,0,0]=3 578 B10R1.39 CO[C@@H]1CCC[C@H]1C(=O)O Q63430 [0,1,0,1,0,0|1,0,0]=3 579 B10R1.39 CO[C@@H]1CCN[C@@H]1C(=O)O Q64271 [0,1,0,1,0,0|0,0,0]=2 580 B10R1.39 CO[C@@H]1CCN[C@H]1C(=O)O Q64273 [0,1,0,1,0,0|0,0,0]=2 581 B10R1.39 CO[C@H]1CCC[C@@H]1C(=O)O Q63431 [0,1,0,1,0,0|1,0,0]=3 582 B10R1.39 CO[C@H]1CCC[C@H]1C(=O)O Q63429 [0,1,0,1,0,0|1,0,0]=3 583 B10R1.39 CO[C@H]1CCN[C@@H]1C(=O)O Q64274 [0,1,0,1,0,0|0,0,0]=2 584 B10R1.39 CO[C@H]1CCN[C@H]1C(=O)O Q64272 [0,1,0,1,0,0|0,0,0]=2 585 B10R1.39 O=C(O)C1CCCC1CF Q57285 [0,1,0,1,0,0|1,0,0]=3 586 B10R1.165 CCC1CN(C)[C@@H]1C(=O)O L13838 [0,1,0,1,0,0|0,0,0]=2 587 B10R1.219 CCC(C(=O)O)C1CCC1 P47976 [0,1,0,1,0,0|1,0,0]=3 588 B10R1.219 CNC(C(=O)O)C1CCC1 Q65909 [0,1,0,1,0,0|0,0,0]=2 589 B10R1.229 CC1CCC1(CN)C(=O)O P48128 [0,1,0,1,0,0|0,0,0]=2 590 B10R1.229 CC1CCC1(CN)C(=O)O P48140 [0,1,0,1,0,0|0,0,0]=2 591 B10R1.83 CC1(C)C(F)CC1C(=O)O P46323 [0,1,0,1,0,0|2,0,0]=4 592 B10R1.83 CC1(C)C(N)CC1C(=O)O F-4200 [0,1,0,1,0,0|2,0,0]=4 593 B10R1.83 CC1(C)C(N)CC1C(=O)O P44903 [0,1,0,1,0,0|2,0,0]=4 594 B10R1.83 CC1(C)[C@@H](C(=O)O)C[C@H]1N F-4202 [0,1,0,1,0,0|2,0,0]=4 595 B10R1.83 CC1(C)[C@@H](C(=O)O)C[C@H]1N P44828 [0,1,0,1,0,0|2,0,0]=4 596 B10R1.83 CC1(C)[C@@H](N)C[C@@H]1C(=O)O F-4206 [0,1,0,1,0,0|2,0,0]=4 597 B10R1.83 CC1(C)[C@@H](N)C[C@@H]1C(=O)O P43882 [0,1,0,1,0,0|2,0,0]=4 598 B10R1.83 CC1(C)[C@@H](N)C[C@H]1C(=O)O F-4201 [0,1,0,1,0,0|2,0,0]=4 599 B10R1.83 CC1(C)[C@@H](N)C[C@H]1C(=O)O P45042 [0,1,0,1,0,0|2,0,0]=4 600 B10R1.83 CC1(C)[C@H](N)C[C@H]1C(=O)O F-4205 [0,1,0,1,0,0|2,0,0]=4 601 B10R1.128 CC1(C)CCCC1C(=O)O Q63830 [0,1,0,1,0,0|1,0,0]=3 602 B10R1.128 CC1(C)CCNC1C(=O)O O33573 [0,1,0,1,0,0|0,0,0]=2 603 B10R1.128 CC1(C)CCNC1C(=O)O Q62145 [0,1,0,1,0,0|0,0,0]=2 604 B10R1.128 CC1(C)CCN[C@@H]1C(=O)O O33018 [0,1,0,1,0,0|0,0,0]=2 605 B10R1.128 CC1(C)CNCC1C(=O)O L18283 [0,1,0,1,0,0|2,0,0]=4 606 B10R1.128 CC1(C)CNCC1C(=O)O Q61989 [0,1,0,1,0,0|2,0,0]=4 607 B10R1.128 CC1(C)CNC[C@@H]1C(=O)O Q61993 [0,1,0,1,0,0|2,0,0]=4 608 B10R1.128 CC1(C)CNC[C@H]1C(=O)O Q61990 [0,1,0,1,0,0|2,0,0]=4 609 B10R1.128 CC1(C)SCNC1C(=O)O P41013 [0,1,0,1,0,0|1,0,0]=3 610 B10R1.128 CC1(C)SCN[C@@H]1C(=O)O P36398 [0,1,0,1,0,0|1,0,0]=3 611 B10R1.128 CC1(C)SCN[C@H]1C(=O)O P39526 [0,1,0,1,0,0|1,0,0]=3 612 B10R1.128 O=C(O)C1CCCC1(F)F L19944 [0,1,0,1,0,0|2,0,0]=4 613 B10R1.128 O=C(O)C1NCCC1(F)F Q64268 [0,1,0,1,0,0|1,0,0]=3 614 B10R1.128 O=C(O)[C@@H]1CCCC1(F)F Q63432 [0,1,0,1,0,0|2,0,0]=4 615 B10R1.128 O=C(O)[C@@H]1NCCC1(F)F Q64270 [0,1,0,1,0,0|1,0,0]=3 616 B10R1.128 O=C(O)[C@H]1CCCC1(F)F Q63433 [0,1,0,1,0,0|2,0,0]=4 617 B10R1.128 O=C(O)[C@H]1NCCC1(F)F Q64269 [0,1,0,1,0,0|1,0,0]=3 618 B10R1.361 CC(C)N1CC[C@H]1C(=O)O L14216 [0,1,0,1,0,0|2,0,0]=4 619 B10R1.361 O=C(O)C1CCC1C(F)F P48307 [0,1,0,1,0,0|2,0,0]=4 620 B10R2.179 CC12CCCC(=O)C1C2 Q52396 [0,0,0,2,0,0|2,0,0]=4 621 B10R2.32 [C@@H]12CCN[C@@H]1C(=O)NC2 G-7863 [0,0,0,2,0,0|1,0,0]=3 622 B10R2.344 O=C(O)C12CC1CCN2 Q55542 [0,0,0,2,0,0|0,0,0]=2 623 B10R2.344 O=C(O)C12CC1CCN2 Q55543 [0,0,0,2,0,0|0,0,0]=2 624 B10R2.344 O=C(O)C12CCCC1C2 Q57421 [0,0,0,2,0,0|1,0,0]=3 625 B10R2.344 O=C(O)C12CNCC1C2 G-7142 [0,0,0,2,0,0|2,0,0]=4 626 B10R2.344 O=C(O)C12CNCC1C2 Q56283 [0,0,0,2,0,0|2,0,0]=4 627 B10R2.344 O=C(O)C12COCC1C2 Q62749 [0,0,0,2,0,0|2,0,0]=4 628 B10R2.344 O=C(O)[C@@]12CC1CCN2 P48694 [0,0,0,2,0,0|0,0,0]=2 629 B10R2.344 O=C(O)[C@@]12COC[C@@H]1C2 Q62751 [0,0,0,2,0,0|2,0,0]=4 630 B10R2.344 O=C(O)[C@]12COCC1C2 Q62750 [0,0,0,2,0,0|2,0,0]=4 631 B10R2.344 O=C(O)[C@]12C[C@H]1CCN2 Q55544 [0,0,0,2,0,0|0,0,0]=2 632 B10R2.344 O=C(O)[C@]12C[C@H]1CCN2 Q55545 [0,0,0,2,0,0|0,0,0]=2 633 B10R2.344 O=C(O)[C@]12C[C@H]1CCN2 Q57362 [0,0,0,2,0,0|0,0,0]=2 634 B10R2.346 O=C(O)C1NC2CC1C2 P47911 [0,0,0,2,0,0|0,0,0]=2 635 B10R2.346 O=C(O)[C@@H]1NC2CC1C2 P46134 [0,0,0,2,0,0|0,0,0]=2 636 B10R2.346 O=C(O)[C@H]1NC2CC1C2 P44786 [0,0,0,2,0,0|0,0,0]=2 637 B10R2.355 O=C(O)C1NCC2CC21 L14641 [0,0,0,2,0,0|0,0,0]=2 638 B10R2.355 O=C(O)[C@H]1NC[C@@H]2C[C@H]12 L18192 [0,0,0,2,0,0|0,0,0]=2 639 B10R2.355 O=C(O)[C@H]1NC[C@@H]2C[C@H]12 Q52830 [0,0,0,2,0,0|0,0,0]=2 640 B10R2.355 O=C(O)[C@H]1NC[C@@H]2C[C@H]12 Q56647 [0,0,0,2,0,0|0,0,0]=2 641 B10R2.355 [C@@H]12CN[C@H](C(=O)O)[C@@H]1C2 L18089 [0,0,0,2,0,0|0,0,0]=2 642 B10R2.355 [C@@H]12CN[C@H](C(=O)O)[C@@H]1C2 Q56348 [0,0,0,2,0,0|0,0,0]=2 643 B10R2.358 O=C(O)C1CCC12CC2 Q54736 [0,0,0,2,0,0|1,0,0]=3 644 B10R2.638 O=C(O)C1CC12CCC2 I-9657 [0,0,0,2,0,0|1,0,0]=3 645 B10R2.638 O=C(O)C1CC12COC2 Q55958 [0,0,0,2,0,0|2,0,0]=4 646 B8R0.9 CCC(C)OCC(=O)O P34749 [1,0,0,0,0,1|0,0,0]=2