0 B6R0.3 C=C[C@@H](C)C(=O)O H-8974 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.3 C=C[C@H](C)C(=O)O H-8989 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.3 CC(C)[C@@H](N)CO L13788 [0,0,0,0,0,0|2,1,1]=4 3 B6R0.3 CCC(N)C(C)O L20519 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.3 CCC(N)C(N)=O P35312 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.3 CC[C@@H](Br)C(=O)O P45858 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.3 CC[C@@H](O)C(=O)O P40022 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.3 CC[C@H](Br)C(=O)O P45751 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.3 CC[C@H](O)C(=O)O P38746 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.3 CNC(C)C(N)=O P41317 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.3 CO[C@@H](C)C(=O)O I-9183 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.3 C[C@@H](CN)C(=O)O Q69056 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.3 C[C@@H](CN)C(=O)O Q69059 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.3 C[C@H](CN)C(=O)O Q69061 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.3 C[C@H](CN)C(=O)O Q69064 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.3 C[C@H](CO)C(=O)O 10021 [0,0,0,0,0,0|1,1,0]=2 16 B6R0.3 C\C=C(/F)C(=O)O F-4310 [0,0,0,0,0,0|2,0,2]=4 17 B6R0.3 NCC(N)C(=O)O P37494 [0,0,0,0,0,0|1,0,0]=1 18 B6R0.3 NCC(O)C(=O)O O28965 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.3 NC[C@@H](O)C(=O)O 10685 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.3 NC[C@H](N)C(=O)O P40075 [0,0,0,0,0,0|1,0,0]=1 21 B5R0.1 CC(O)CCN M22972 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 O=C(O)CCF A-698 [1,0,0,0,0,0|1,0,0]=2 23 B5R0.3 CC(CN)CO O30604 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.3 NC[C@@H](F)CO L22313 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.3 NC[C@H](F)CO O33576 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.5 C=C(F)C(=O)O P51526 [1,0,0,0,0,0|1,0,2]=4 27 B5R0.5 CC(C)S(N)=O O29745 [1,0,0,0,0,0|3,0,0]=4 28 B5R0.5 CC(Cl)C(=N)N L21176 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.5 CC(N)C(C)O P38125 [1,0,0,0,0,0|1,0,1]=3 30 B5R0.5 CC(N)C(F)F H-8439 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.5 CC(N)C(F)F H-8440 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.5 CC(N)C(N)=O P37963 [1,0,0,0,0,0|1,0,0]=2 33 B5R0.5 CC(O)C(N)=O P39940 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.5 C[C@@H](O)C(=N)N P38252 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.5 C[C@@H](O)C(N)=O P37171 [1,0,0,0,0,0|2,0,0]=3 36 B5R0.5 C[C@H](O)C(=N)N P41718 [1,0,0,0,0,0|3,0,0]=4 37 B7R0.5 C#CCC(N)C(=O)O P37796 [0,1,0,0,0,0|1,0,0]=2 38 B7R0.5 C#CC[C@@H](N)C(=O)O P39505 [0,1,0,0,0,0|1,0,0]=2 39 B7R0.5 C#CC[C@H](N)C(=O)O P39506 [0,1,0,0,0,0|1,0,0]=2 40 B7R0.5 C=CC[C@@H](N)C(=O)O P37509 [0,1,0,0,0,0|1,0,0]=2 41 B7R0.5 C=CC[C@H](N)C(=O)O O28653 [0,1,0,0,0,0|1,0,0]=2 42 B7R0.5 C=CC[C@H](N)C(=O)O P40769 [0,1,0,0,0,0|1,0,0]=2 43 B7R0.5 CCC[C@H](O)C(=O)O P51274 [0,1,0,0,0,0|2,0,0]=3 44 B7R0.5 CCNC(C)C(=O)O P36832 [0,1,0,0,0,0|2,0,0]=3 45 B7R0.5 CCN[C@@H](C)C(=O)O P36816 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.5 CCN[C@H](C)C(=O)O P35138 [0,1,0,0,0,0|2,0,0]=3 47 B7R0.5 CCOC(=O)C(=O)O P37044 [0,1,0,0,0,0|2,0,1]=4 48 B7R0.5 COC[C@@H](N)C(=O)O P35719 [0,1,0,0,0,0|0,1,0]=2 49 B7R0.5 COC[C@H](N)C(=O)O P38808 [0,1,0,0,0,0|0,1,0]=2 50 B7R0.5 N[C@@H](CCBr)C(=O)O P41033 [0,1,0,0,0,0|1,0,0]=2 51 B7R0.5 N[C@@H](CCS)C(=O)O A-694 [0,1,0,0,0,0|0,0,0]=1 52 B7R0.10 CN[C@@H](C)C(=O)OC P40007 [0,1,0,0,0,0|3,0,0]=4 53 B7R0.10 COC(=O)C(C)CN P35475 [0,1,0,0,0,0|2,0,0]=3 54 B7R0.10 COC(=O)[C@@H](N)CN P41137 [0,1,0,0,0,0|1,0,0]=2 55 B7R0.13 C#CC(C)(C)C(=O)O H-8770 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.13 CC(=O)C(C)(C)CO O34551 [0,1,0,0,0,0|2,1,0]=4 57 B7R0.13 CC(C)(CN)C(=O)O P40193 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.13 CC(C)(CN)C(N)=O G-7517 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.13 CCC(C)(N)C(=O)O P37187 [0,1,0,0,0,0|1,0,0]=2 60 B7R0.13 CC[C@@](C)(N)C(=O)O Q68927 [0,1,0,0,0,0|1,0,0]=2 61 B7R0.13 CC[C@](C)(N)C(=O)O Q68924 [0,1,0,0,0,0|1,0,0]=2 62 B7R0.13 CNC(C)(C)C(=O)O P39308 [0,1,0,0,0,0|3,0,0]=4 63 B7R0.13 C[C@@](N)(CO)C(=O)O Q68933 [0,1,0,0,0,0|0,1,0]=2 64 B7R0.13 C[C@](N)(CO)C(=O)O Q68930 [0,1,0,0,0,0|0,1,0]=2 65 B7R0.13 NCC(F)(F)C(=O)O H-8196 [0,1,0,0,0,0|2,0,0]=3 66 B7R0.15 CCC(NC)C(=O)O P42253 [0,1,0,0,0,0|1,0,0]=2 67 B7R0.15 NC[C@@H](CO)C(=O)O Q69031 [0,1,0,0,0,0|0,1,0]=2 68 B7R0.15 NC[C@@H](CO)C(=O)O Q69034 [0,1,0,0,0,0|0,1,0]=2 69 B7R0.15 NC[C@H](CO)C(=O)O Q69035 [0,1,0,0,0,0|0,1,0]=2 70 B7R0.15 NC[C@H](CO)C(=O)O Q69038 [0,1,0,0,0,0|0,1,0]=2 71 B7R0.16 CC(C(=O)O)N(C)C P40714 [0,1,0,0,0,0|3,0,0]=4 72 B7R0.16 CC(C)[C@@H](O)C(=O)O P40530 [0,1,0,0,0,0|2,0,0]=3 73 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O P39382 [0,1,0,0,0,0|0,1,0]=2 74 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O Q70089 [0,1,0,0,0,0|0,1,0]=2 75 B7R1.4 CC1CCNC1=O O30375 [0,0,0,1,0,0|3,0,0]=4 76 B7R1.4 C[C@@H]1CCNC1=O Q61716 [0,0,0,1,0,0|3,0,0]=4 77 B7R1.4 C[C@H]1CCNC1=O Q61658 [0,0,0,1,0,0|3,0,0]=4 78 B7R1.4 NC1CCCC1O F-4442 [0,0,0,1,0,0|2,0,1]=4 79 B7R1.4 NC1CCNC1=O F-4440 [0,0,0,1,0,0|2,0,0]=3 80 B7R1.4 NN1CCCC1=O P51102 [0,0,0,1,0,0|3,0,0]=4 81 B7R1.4 N[C@@H]1CCC[C@@H]1O F-4443 [0,0,0,1,0,0|2,0,1]=4 82 B7R1.4 N[C@@H]1CCC[C@@H]1O F-4445 [0,0,0,1,0,0|2,0,1]=4 83 B7R1.4 N[C@@H]1CCC[C@H]1O F-4450 [0,0,0,1,0,0|2,0,1]=4 84 B7R1.4 N[C@@H]1CCC[C@H]1O I-9382 [0,0,0,1,0,0|2,0,1]=4 85 B7R1.4 N[C@@H]1CCNC1=O F-4458 [0,0,0,1,0,0|2,0,0]=3 86 B7R1.4 N[C@@H]1COC[C@H]1O H-8080 [0,0,0,1,0,0|1,1,1]=4 87 B7R1.4 N[C@H]1CCC[C@@H]1O F-4444 [0,0,0,1,0,0|2,0,1]=4 88 B7R1.4 N[C@H]1CCC[C@@H]1O F-4447 [0,0,0,1,0,0|2,0,1]=4 89 B7R1.4 N[C@H]1CCC[C@@H]1O F-4448 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.4 N[C@H]1CCC[C@H]1O F-4446 [0,0,0,1,0,0|2,0,1]=4 91 B7R1.4 N[C@H]1CCC[C@H]1O F-4449 [0,0,0,1,0,0|2,0,1]=4 92 B7R1.4 N[C@H]1CCC[C@H]1O Q52258 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.4 N[C@H]1CCNC1=O F-4459 [0,0,0,1,0,0|2,0,0]=3 94 B7R1.4 N[C@H]1CCNC1=O L14236 [0,0,0,1,0,0|2,0,0]=3 95 B7R1.4 N[C@H]1COC[C@@H]1O F-4615 [0,0,0,1,0,0|1,1,1]=4 96 B7R1.4 N[C@H]1COC[C@@H]1O H-8081 [0,0,0,1,0,0|1,1,1]=4 97 B7R1.4 N[C@H]1COC[C@H]1O L22268 [0,0,0,1,0,0|1,1,1]=4 98 B7R1.4 N[C@H]1COC[C@H]1O P45710 [0,0,0,1,0,0|1,1,1]=4 99 B7R1.4 O=C1CCCC1O Q61720 [0,0,0,1,0,0|3,0,0]=4 100 B7R1.4 O=C1NCCC1Br O31241 [0,0,0,1,0,0|3,0,0]=4 101 B7R1.4 O=C1NCCC1F Q62170 [0,0,0,1,0,0|3,0,0]=4 102 B7R1.4 O=C1NCCC1O D-2532 [0,0,0,1,0,0|3,0,0]=4 103 B7R1.4 O=C1NCC[C@@H]1F Q63592 [0,0,0,1,0,0|3,0,0]=4 104 B7R1.4 O=C1NCC[C@@H]1O F-4184 [0,0,0,1,0,0|3,0,0]=4 105 B7R1.4 O=C1NCC[C@H]1F Q63593 [0,0,0,1,0,0|3,0,0]=4 106 B7R1.4 O=C1NCC[C@H]1O O30124 [0,0,0,1,0,0|3,0,0]=4 107 B7R1.8 NCC1CNC1=O P46897 [0,0,0,1,0,0|3,0,0]=4 108 B7R1.8 O=C1CCC1CO L18510 [0,0,0,1,0,0|2,1,0]=4 109 B7R1.12 CC1CC1C(=O)Cl O31612 [0,0,0,1,0,0|3,0,0]=4 110 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P44059 [0,0,0,1,0,0|2,0,0]=3 111 B7R1.12 C[C@@H]1C[C@H]1C(=O)O L22375 [0,0,0,1,0,0|2,0,0]=3 112 B7R1.12 C[C@H]1C[C@H]1C(=O)O O33127 [0,0,0,1,0,0|2,0,0]=3 113 B7R1.12 O=C(O)C1CC1F Q52394 [0,0,0,1,0,0|2,0,0]=3 114 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F K10809 [0,0,0,1,0,0|2,0,0]=3 115 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33126 [0,0,0,1,0,0|2,0,0]=3 116 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33327 [0,0,0,1,0,0|2,0,0]=3 117 B7R1.12 O=C(O)[C@H]1C[C@@H]1F O33229 [0,0,0,1,0,0|2,0,0]=3 118 B7R1.12 O=C(O)[C@H]1C[C@H]1F K10802 [0,0,0,1,0,0|2,0,0]=3 119 B7R1.15 C[C@@H]1NC(=O)[C@H]1N 10677 [0,0,0,1,0,0|2,0,0]=3 120 B7R1.15 C[C@@H]1NC(=O)[C@H]1N 10678 [0,0,0,1,0,0|2,0,0]=3 121 B7R1.17 CC1(C)SCC1N Q58807 [0,0,0,1,0,0|2,0,1]=4 122 B7R1.17 CC1(C)SCC1N Q58808 [0,0,0,1,0,0|2,0,1]=4 123 B7R1.17 CC1(C)SC[C@H]1N Q58818 [0,0,0,1,0,0|2,0,1]=4 124 B7R1.18 CC(=O)C1CCC1 Q54751 [0,0,0,1,0,0|3,0,0]=4 125 B7R1.18 CC(=O)C1CNC1 P44065 [0,0,0,1,0,0|3,0,0]=4 126 B7R1.18 CC(=O)C1CNC1 P48871 [0,0,0,1,0,0|3,0,0]=4 127 B7R1.18 CC(=O)C1CNC1 P48872 [0,0,0,1,0,0|3,0,0]=4 128 B7R1.18 CC(=O)C1COC1 Q56096 [0,0,0,1,0,0|2,1,0]=4 129 B7R1.18 NC(=O)C1CCC1 O34470 [0,0,0,1,0,0|3,0,0]=4 130 B7R1.18 NC(=O)C1CCN1 O28301 [0,0,0,1,0,0|2,0,0]=3 131 B7R1.18 NC(=O)C1CNC1 C-2241 [0,0,0,1,0,0|3,0,0]=4 132 B7R1.18 NC(=O)C1CNC1 L21539 [0,0,0,1,0,0|3,0,0]=4 133 B7R1.18 O=C(O)C1CCN1 B-1112 [0,0,0,1,0,0|1,0,0]=2 134 B7R1.18 O=C(O)C1CCO1 D-2702 [0,0,0,1,0,0|2,0,0]=3 135 B7R1.18 O=C(O)C1CNC1 A-422 [0,0,0,1,0,0|2,0,0]=3 136 B7R1.18 O=C(O)C1CNC1 P42961 [0,0,0,1,0,0|2,0,0]=3 137 B7R1.18 O=C(O)C1COC1 A-970 [0,0,0,1,0,0|1,1,0]=3 138 B7R1.18 O=C(O)C1CSC1 H-8019 [0,0,0,1,0,0|1,0,0]=2 139 B7R1.18 O=C(O)[C@@H]1CCN1 B-1110 [0,0,0,1,0,0|1,0,0]=2 140 B7R1.18 O=C(O)[C@@H]1CCN1 P46195 [0,0,0,1,0,0|1,0,0]=2 141 B7R1.18 O=C(O)[C@@H]1CCO1 Q62698 [0,0,0,1,0,0|2,0,0]=3 142 B7R1.18 O=C(O)[C@H]1CCN1 B-1109 [0,0,0,1,0,0|1,0,0]=2 143 B7R1.18 O=C(O)[C@H]1CCN1 P45364 [0,0,0,1,0,0|1,0,0]=2 144 B7R1.18 O=C(O)[C@H]1CCO1 Q62699 [0,0,0,1,0,0|2,0,0]=3 145 B7R1.19 CC1(C(=O)Cl)CC1 L13117 [0,0,0,1,0,0|3,0,0]=4 146 B7R1.19 CC1(C(=O)O)CC1 G-6948 [0,0,0,1,0,0|2,0,0]=3 147 B7R1.19 CC1(C(N)=O)CC1 O34284 [0,0,0,1,0,0|3,0,0]=4 148 B7R1.19 NC(=O)C1(N)CC1 L22305 [0,0,0,1,0,0|2,0,0]=3 149 B7R1.19 NC(=O)C1(N)CC1 P41484 [0,0,0,1,0,0|2,0,0]=3 150 B7R1.19 NC1(C(=O)O)CC1 G-5950 [0,0,0,1,0,0|1,0,0]=2 151 B7R1.19 O=C(O)C1(Br)CC1 O34313 [0,0,0,1,0,0|2,0,0]=3 152 B7R1.19 O=C(O)C1(F)CC1 O33313 [0,0,0,1,0,0|2,0,0]=3 153 B7R1.19 O=C(O)C1(O)CC1 I-9870 [0,0,0,1,0,0|2,0,0]=3 154 B7R0.2 CCC(=O)CC(=O)O P43007 [0,0,0,0,0,1|2,0,1]=4 155 B7R0.2 CC[C@@H](N)CC(=O)O M23217 [0,0,0,0,0,1|1,0,0]=2 156 B7R0.2 CC[C@H](N)CC(=O)O M23203 [0,0,0,0,0,1|1,0,0]=2 157 B7R0.2 NCC(O)CC(=O)O P35068 [0,0,0,0,0,1|2,0,0]=3 158 B7R0.2 N[C@@H](CO)CC(=O)O Q68983 [0,0,0,0,0,1|0,1,0]=2 159 B7R0.2 N[C@@H](CO)CC(=O)O Q68986 [0,0,0,0,0,1|0,1,0]=2 160 B7R0.2 N[C@H](CO)CC(=O)O Q68987 [0,0,0,0,0,1|0,1,0]=2 161 B7R0.2 N[C@H](CO)CC(=O)O Q68989 [0,0,0,0,0,1|0,1,0]=2 162 B4R0.1 C#CC(C)N P51445 [2,0,0,0,0,0|1,0,1]=4 163 B4R0.1 C#C[C@@H](C)N Q52993 [2,0,0,0,0,0|1,0,1]=4 164 B4R0.1 C=C(C)CN P39039 [2,0,0,0,0,0|2,0,0]=4 165 B4R0.1 CC(=O)CN P45193 [2,0,0,0,0,0|1,0,0]=3 166 B4R0.1 CC(Br)CO O34000 [2,0,0,0,0,0|1,0,1]=4 167 B4R0.1 CC(C)NO O30196 [2,0,0,0,0,0|2,0,0]=4 168 B4R0.1 CC(N)CS L19436 [2,0,0,0,0,0|0,0,1]=3 169 B4R0.1 C[C@@H](Cl)CO 10058 [2,0,0,0,0,0|1,0,1]=4 170 B4R0.2 C=CCCN L22153 [2,0,0,0,0,0|2,0,0]=4 171 B4R0.2 COCC=O F-4461 [2,0,0,0,0,0|2,0,0]=4 172 B4R0.2 NCCCS A-986 [2,0,0,0,0,0|1,0,1]=4 173 B4R0.2 NCCCS M15465 [2,0,0,0,0,0|1,0,1]=4 174 B6R0.1 CCNC(=O)CO O31312 [1,1,0,0,0,0|2,0,0]=4 175 B6R0.1 CNC(=O)CCCl P38167 [1,1,0,0,0,0|2,0,0]=4 176 B6R0.1 CNC(=O)CCN P37692 [1,1,0,0,0,0|2,0,0]=4 177 B6R0.2 CC(O)CC(=O)O P38963 [1,1,0,0,0,0|0,1,0]=3 178 B6R0.2 C[C@@H](N)CC(=O)O P38442 [1,1,0,0,0,0|1,0,0]=3 179 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [1,1,0,0,0,0|1,0,0]=3 180 B6R0.2 C[C@@H](O)CC(=O)O P36990 [1,1,0,0,0,0|0,1,0]=3 181 B6R0.2 C[C@H](N)CC(=O)O P38443 [1,1,0,0,0,0|1,0,0]=3 182 B6R0.2 C[C@H](O)CC(=O)O P37046 [1,1,0,0,0,0|0,1,0]=3 183 B6R0.4 CCNCC(=O)O P37534 [1,1,0,0,0,0|1,0,0]=3 184 B6R0.4 CCNCC(N)=O P36580 [1,1,0,0,0,0|2,0,0]=4 185 B6R0.4 CNCCC(=O)O P36779 [1,1,0,0,0,0|1,0,0]=3 186 B6R0.4 CNCCC(=O)O P39205 [1,1,0,0,0,0|1,0,0]=3 187 B6R0.4 CNCCC(N)=O P37896 [1,1,0,0,0,0|2,0,0]=4 188 B6R0.4 O=C(O)\C=C\CBr P41388 [1,1,0,0,0,0|1,0,1]=4 189 B6R0.4 O=CNCC(=O)O P39379 [1,1,0,0,0,0|0,1,1]=4 190 B6R0.4 [N-]=[N+]=NCC(=O)O P40297 [1,1,0,0,0,0|2,0,0]=4 191 B6R0.9 NCC(CO)CO F-4437 [1,1,0,0,0,0|0,1,1]=4 192 B6R0.7 CC(C)(N)C(N)=O P40473 [1,1,0,0,0,0|1,0,0]=3 193 B6R0.7 O=C(O)C(F)(F)F H-8200 [1,1,0,0,0,0|2,0,0]=4 194 B6R0.7 O=C(O)C(F)(F)F O33159 [1,1,0,0,0,0|2,0,0]=4 195 B6R0.7 O=C(O)C(F)(F)F O33161 [1,1,0,0,0,0|2,0,0]=4 196 B6R0.7 O=C(O)C(F)(F)F P48132 [1,1,0,0,0,0|2,0,0]=4 197 B6R0.7 O=C(O)C(F)(F)F P49801 [1,1,0,0,0,0|2,0,0]=4 198 B6R0.7 O=C(O)C(F)(F)F P50106 [1,1,0,0,0,0|2,0,0]=4 199 B6R0.7 O=C(O)C(F)(F)F P50453 [1,1,0,0,0,0|2,0,0]=4 200 B6R0.7 O=C(O)C(F)(F)F Q57096 [1,1,0,0,0,0|2,0,0]=4 201 B6R0.7 O=C(O)C(F)(F)F Q66175 [1,1,0,0,0,0|2,0,0]=4 202 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O O28696 [0,1,0,0,0,1|2,0,0]=4 203 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O O28455 [0,1,0,0,0,1|2,0,0]=4 204 B8R0.5 C=CC[C@@H](N)CC(=O)O Q69101 [0,1,0,0,0,1|1,0,0]=3 205 B8R0.5 COCC(O)CC(=O)O F-4460 [0,1,0,0,0,1|1,1,0]=4 206 B8R0.23 CC(C)C(N)CC(=O)O M22680 [0,1,0,0,0,1|1,0,0]=3 207 B8R0.23 CC(C)[C@@H](N)CC(=O)O P38250 [0,1,0,0,0,1|1,0,0]=3 208 B8R0.23 CC(C)[C@@H](N)CC(=O)O Q68993 [0,1,0,0,0,1|1,0,0]=3 209 B8R0.23 CC(C)[C@H](N)CC(=O)O P36212 [0,1,0,0,0,1|1,0,0]=3 210 B8R0.23 CC(C)[C@H](N)CC(=O)O Q68999 [0,1,0,0,0,1|1,0,0]=3 211 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Q68990 [0,1,0,0,0,1|0,1,0]=3 212 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Q68992 [0,1,0,0,0,1|0,1,0]=3 213 B8R0.3 C#CC[C@@H](N)C(=O)OC Q65834 [0,2,0,0,0,0|1,0,0]=3 214 B8R0.3 C#CC[C@H](N)C(=O)OC P40730 [0,2,0,0,0,0|1,0,0]=3 215 B8R0.3 CCCC(N)C(=O)OC P43113 [0,2,0,0,0,0|1,0,0]=3 216 B8R0.3 CCOC(=O)C(C)CN P40244 [0,2,0,0,0,0|2,0,0]=4 217 B8R0.3 CCOC(=O)C(N)CC P37453 [0,2,0,0,0,0|1,0,0]=3 218 B8R0.3 CCOC(=O)C(O)CC P37661 [0,2,0,0,0,0|2,0,0]=4 219 B8R0.3 CCOC(=O)[C@@H](N)CC P35145 [0,2,0,0,0,0|1,0,0]=3 220 B8R0.3 CCOC(=O)[C@@H](N)CN P41065 [0,2,0,0,0,0|1,0,0]=3 221 B8R0.3 CCOC(=O)[C@H](N)CC P41834 [0,2,0,0,0,0|1,0,0]=3 222 B8R0.8 C#CCCC(N)C(=O)O P39732 [0,2,0,0,0,0|1,0,0]=3 223 B8R0.8 C#CCOC(C)C(=O)O O29907 [0,2,0,0,0,0|2,0,0]=4 224 B8R0.8 C=CCCC(N)C(=O)O P40793 [0,2,0,0,0,0|1,0,0]=3 225 B8R0.8 C=CCCC(N)C(N)=O Q65911 [0,2,0,0,0,0|2,0,0]=4 226 B8R0.8 C=CCC[C@@H](N)C(=O)O P42941 [0,2,0,0,0,0|1,0,0]=3 227 B8R0.8 C=CCC[C@H](N)C(=O)O P35206 [0,2,0,0,0,0|1,0,0]=3 228 B8R0.8 CC#CC[C@@H](N)C(=O)O Q65835 [0,2,0,0,0,0|1,0,0]=3 229 B8R0.8 CC#CC[C@H](N)C(=O)O Q65833 [0,2,0,0,0,0|1,0,0]=3 230 B8R0.8 C[Se]CC[C@H](N)C(=O)O P38844 [0,2,0,0,0,0|0,1,0]=3 231 B8R0.8 N[C@H](CCCO)C(=O)O P37057 [0,2,0,0,0,0|0,1,0]=3 232 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O M22741 [0,2,0,0,0,0|1,0,0]=3 233 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O P40814 [0,2,0,0,0,0|1,0,0]=3 234 B8R0.12 COCC(F)(F)C(=O)O F-4245 [0,2,0,0,0,0|1,1,0]=4 235 B8R0.15 C=CCC(CC)C(=O)O Q69583 [0,2,0,0,0,0|2,0,0]=4 236 B8R0.15 CCC[C@@H](NC)C(=O)O P36548 [0,2,0,0,0,0|1,0,0]=3 237 B8R0.15 CCC[C@H](NC)C(=O)O P40204 [0,2,0,0,0,0|1,0,0]=3 238 B8R0.36 CC(CF)(CF)C(=O)O M15767 [0,2,0,0,0,0|2,0,0]=4 239 B8R0.36 CCC(N)(CC)C(=O)O P39311 [0,2,0,0,0,0|1,0,0]=3 240 B8R0.37 CC(C)C(C)(O)C(=O)O Q69152 [0,2,0,0,0,0|2,0,0]=4 241 B8R0.37 CC(C)[C@@](C)(N)C(=O)O Q68939 [0,2,0,0,0,0|1,0,0]=3 242 B8R0.37 CC(C)[C@](C)(N)C(=O)O Q68936 [0,2,0,0,0,0|1,0,0]=3 243 B8R0.27 CC(C)(C)C(O)C(=O)O M23224 [0,2,0,0,0,0|2,0,0]=4 244 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O P39602 [0,2,0,0,0,0|2,0,0]=4 245 B8R0.27 CC(C)(C)[C@H](O)C(=O)O P39705 [0,2,0,0,0,0|2,0,0]=4 246 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O Q68942 [0,2,0,0,0,0|0,1,0]=3 247 B8R0.27 CC(C)(O)[C@H](N)C(=O)O Q68916 [0,2,0,0,0,0|0,1,0]=3 248 B8R0.27 CC(C)(S)C(N)C(=O)O Q68947 [0,2,0,0,0,0|0,0,0]=2 249 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O I-9879 [0,2,0,0,0,0|0,0,0]=2 250 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Q68945 [0,2,0,0,0,0|0,0,0]=2 251 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Q68949 [0,2,0,0,0,0|0,0,0]=2 252 B8R0.27 NC(C(=O)O)C(F)(F)F P44707 [0,2,0,0,0,0|1,0,0]=3 253 B8R0.18 CC(C)[C@@H](CN)C(=O)O Q69066 [0,2,0,0,0,0|1,0,0]=3 254 B8R0.18 CC(C)[C@@H](CN)C(=O)O Q69069 [0,2,0,0,0,0|1,0,0]=3 255 B8R0.18 CC(C)[C@H](CN)C(=O)O Q69070 [0,2,0,0,0,0|1,0,0]=3 256 B8R0.18 CC(C)[C@H](CN)C(=O)O Q69073 [0,2,0,0,0,0|1,0,0]=3 257 B8R0.18 CNC(C(=O)O)C(C)C P39309 [0,2,0,0,0,0|1,0,0]=3 258 B8R0.18 CN[C@H](C(=O)O)C(C)C P40211 [0,2,0,0,0,0|1,0,0]=3 259 B6R1.2 O=C1CCNC1 C-2247 [1,0,0,1,0,0|2,0,0]=4 260 B6R1.2 O=C1CCNC1 S72535 [1,0,0,1,0,0|2,0,0]=4 261 B6R1.2 O=C1CCOC1 B-1767 [1,0,0,1,0,0|1,1,0]=4 262 B6R1.2 O=C1CCSC1 G-7753 [1,0,0,1,0,0|1,0,0]=3 263 B6R1.5 CC1CC(=O)C1 L18001 [1,0,0,1,0,0|2,0,0]=4 264 B6R1.5 NC1CC(=O)C1 C-3677 [1,0,0,1,0,0|2,0,0]=4 265 B6R1.5 NC1CC(=O)C1 P44186 [1,0,0,1,0,0|2,0,0]=4 266 B6R1.5 O=C1CC(Br)C1 G-6311 [1,0,0,1,0,0|2,0,0]=4 267 B6R1.5 O=C1CC(F)C1 H-8760 [1,0,0,1,0,0|2,0,0]=4 268 B6R1.5 O=C1CC(O)C1 F-4733 [1,0,0,1,0,0|1,1,0]=4 269 B6R1.4 CC1CCC1=O P47956 [1,0,0,1,0,0|2,0,0]=4 270 B6R1.4 CC1OCC1N Q56170 [1,0,0,1,0,0|1,0,1]=4 271 B6R1.4 NC1CCC1O P45290 [1,0,0,1,0,0|1,0,1]=4 272 B6R1.4 NC1CCC1O P48134 [1,0,0,1,0,0|1,0,1]=4 273 B6R1.4 NN1CCC1=O P48248 [1,0,0,1,0,0|2,0,0]=4 274 B6R1.4 N[C@@H]1CC[C@@H]1O P43811 [1,0,0,1,0,0|1,0,1]=4 275 B6R1.4 N[C@@H]1CC[C@@H]1O P45279 [1,0,0,1,0,0|1,0,1]=4 276 B6R1.4 N[C@@H]1CC[C@@H]1O P45323 [1,0,0,1,0,0|1,0,1]=4 277 B6R1.4 N[C@@H]1CC[C@H]1O P45283 [1,0,0,1,0,0|1,0,1]=4 278 B6R1.4 N[C@@H]1CC[C@H]1O P46699 [1,0,0,1,0,0|1,0,1]=4 279 B6R1.4 N[C@@H]1CC[C@H]1O P46700 [1,0,0,1,0,0|1,0,1]=4 280 B6R1.4 N[C@@H]1CC[C@H]1O P47798 [1,0,0,1,0,0|1,0,1]=4 281 B6R1.4 N[C@@H]1CNC1=O P44692 [1,0,0,1,0,0|1,0,0]=3 282 B6R1.4 N[C@@H]1CNC1=O P50494 [1,0,0,1,0,0|1,0,0]=3 283 B6R1.4 N[C@H]1CC[C@@H]1O O33030 [1,0,0,1,0,0|1,0,1]=4 284 B6R1.4 N[C@H]1CC[C@@H]1O P46969 [1,0,0,1,0,0|1,0,1]=4 285 B6R1.4 N[C@H]1CC[C@H]1O P45237 [1,0,0,1,0,0|1,0,1]=4 286 B6R1.4 N[C@H]1CC[C@H]1O P46397 [1,0,0,1,0,0|1,0,1]=4 287 B6R1.4 N[C@H]1CNC1=O P44185 [1,0,0,1,0,0|1,0,0]=3 288 B6R1.4 N[C@H]1CNC1=O Q52584 [1,0,0,1,0,0|1,0,0]=3 289 B6R1.4 O=C1CCC1Br P49445 [1,0,0,1,0,0|2,0,0]=4 290 B6R1.4 O=C1CCC1O P47312 [1,0,0,1,0,0|2,0,0]=4 291 B6R1.4 O=C1NCC1O P45440 [1,0,0,1,0,0|2,0,0]=4 292 B6R1.6 O=CC1COC1 L21547 [1,0,0,1,0,0|1,1,0]=4 293 B6R1.6 OCC1CCN1 G-7151 [1,0,0,1,0,0|1,0,1]=4 294 B6R1.6 OCC1CSC1 H-8021 [1,0,0,1,0,0|1,0,1]=4 295 B6R1.6 OC[C@@H]1CCN1 B-1106 [1,0,0,1,0,0|1,0,1]=4 296 B6R1.6 OC[C@@H]1CCN1 P36030 [1,0,0,1,0,0|1,0,1]=4 297 B6R1.6 OC[C@H]1CCN1 B-1105 [1,0,0,1,0,0|1,0,1]=4 298 B6R1.6 OC[C@H]1CCN1 P35007 [1,0,0,1,0,0|1,0,1]=4 299 B6R1.7 NC1(CO)CC1 G-6370 [1,0,0,1,0,0|1,0,1]=4 300 B6R1.7 NC1(CO)CC1 I-9535 [1,0,0,1,0,0|1,0,1]=4 301 B8R1.1 NCC1COC(=O)N1 L13942 [0,0,0,1,0,1|2,0,0]=4 302 B8R1.1 O=C1CC(CO)CO1 H-8701 [0,0,0,1,0,1|1,1,0]=4 303 B8R1.1 O=C1N[C@@H](CI)CO1 10034 [0,0,0,1,0,1|2,0,0]=4 304 B8R1.1 O=C1N[C@@H](CO)CO1 10001 [0,0,0,1,0,1|1,1,0]=4 305 B8R1.1 O=C1N[C@H](CO)CO1 10026 [0,0,0,1,0,1|1,1,0]=4 306 B8R1.4 NC1CCCC(=O)C1 P48005 [0,0,0,1,0,1|2,0,0]=4 307 B8R1.4 NC1CCNC(=O)C1 C-2485 [0,0,0,1,0,1|2,0,0]=4 308 B8R1.4 NC1COCC(=O)C1 P46448 [0,0,0,1,0,1|1,1,0]=4 309 B8R1.4 NC1COCC(=O)C1 Q61511 [0,0,0,1,0,1|1,1,0]=4 310 B8R1.20 CC1CC1CC(=O)O O29360 [0,0,0,1,0,1|2,0,0]=4 311 B8R1.31 CC1CCC1C(=O)O P45629 [0,0,0,1,0,1|2,0,0]=4 312 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O L14485 [0,0,0,1,0,1|2,0,0]=4 313 B8R1.31 NC(=O)C1CCC1N F-4228 [0,0,0,1,0,1|2,0,0]=4 314 B8R1.31 NC1CCC1C(=O)O P47809 [0,0,0,1,0,1|1,0,0]=3 315 B8R1.31 NC1COC1C(=O)O Q56135 [0,0,0,1,0,1|0,1,0]=3 316 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O P45363 [0,0,0,1,0,1|1,0,0]=3 317 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O L13901 [0,0,0,1,0,1|1,0,0]=3 318 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O P44744 [0,0,0,1,0,1|1,0,0]=3 319 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O P45102 [0,0,0,1,0,1|1,0,0]=3 320 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O Q52861 [0,0,0,1,0,1|0,1,0]=3 321 B8R1.31 N[C@@H]1CO[C@H]1C(=O)O Q52863 [0,0,0,1,0,1|0,1,0]=3 322 B8R1.31 N[C@@H]1CO[C@H]1C(=O)O Q54778 [0,0,0,1,0,1|0,1,0]=3 323 B8R1.31 N[C@H]1CC[C@H]1C(=O)O L21391 [0,0,0,1,0,1|1,0,0]=3 324 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P45103 [0,0,0,1,0,1|1,0,0]=3 325 B8R1.31 N[C@H]1CC[C@H]1C(=O)O Q53487 [0,0,0,1,0,1|1,0,0]=3 326 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O Q52864 [0,0,0,1,0,1|0,1,0]=3 327 B8R1.31 N[C@H]1CO[C@H]1C(=O)O Q52862 [0,0,0,1,0,1|0,1,0]=3 328 B8R1.31 N[C@H]1CO[C@H]1C(=O)O Q54777 [0,0,0,1,0,1|0,1,0]=3 329 B8R1.31 O=C(O)C1CCC1F P47126 [0,0,0,1,0,1|2,0,0]=4 330 B8R1.31 O=C(O)C1CCC1O P49194 [0,0,0,1,0,1|2,0,0]=4 331 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O P48368 [0,0,0,1,0,1|2,0,0]=4 332 B8R1.34 O=C(O)CC1CCC1 P44572 [0,0,0,1,0,1|2,0,0]=4 333 B8R1.34 O=C(O)CC1CCN1 P44826 [0,0,0,1,0,1|1,0,0]=3 334 B8R1.34 O=C(O)CC1CCO1 F-4762 [0,0,0,1,0,1|2,0,0]=4 335 B8R1.34 O=C(O)CC1CNC1 G-7532 [0,0,0,1,0,1|2,0,0]=4 336 B8R1.34 O=C(O)CC1CNC1 M22650 [0,0,0,1,0,1|2,0,0]=4 337 B8R1.34 O=C(O)CC1CNC1 P46867 [0,0,0,1,0,1|2,0,0]=4 338 B8R1.34 O=C(O)CC1COC1 F-4181 [0,0,0,1,0,1|1,1,0]=4 339 B8R1.34 O=C(O)C[C@@H]1CCO1 Q56144 [0,0,0,1,0,1|2,0,0]=4 340 B8R1.34 O=C(O)C[C@H]1CCO1 Q56143 [0,0,0,1,0,1|2,0,0]=4 341 B8R1.43 NCC1CC1C(=O)O Q52566 [0,0,0,1,0,1|2,0,0]=4 342 B8R1.5 NC1CCCCC1=O P45934 [0,1,0,1,0,0|2,0,0]=4 343 B8R1.5 N[C@@H]1CCCNC1=O O34375 [0,1,0,1,0,0|2,0,0]=4 344 B8R1.5 N[C@H]1CCCNC1=O O34462 [0,1,0,1,0,0|2,0,0]=4 345 B8R1.5 O=C1COCCC1Br Q54651 [0,1,0,1,0,0|2,0,0]=4 346 B8R1.5 O=C1OCCCC1Br L20669 [0,1,0,1,0,0|2,0,0]=4 347 B8R1.7 CC(=O)C1CCCN1 P37169 [0,1,0,1,0,0|2,0,0]=4 348 B8R1.7 CC(=O)C1CCCN1 Q61985 [0,1,0,1,0,0|2,0,0]=4 349 B8R1.7 CC(=O)C1CCNC1 O31491 [0,1,0,1,0,0|2,0,0]=4 350 B8R1.7 CC(=O)C1NCCS1 M15825 [0,1,0,1,0,0|2,0,0]=4 351 B8R1.7 CC(=O)[C@@H]1CCCN1 Q61986 [0,1,0,1,0,0|2,0,0]=4 352 B8R1.7 CC(=O)[C@@H]1CCCN1 Q62844 [0,1,0,1,0,0|2,0,0]=4 353 B8R1.7 CC(=O)[C@H]1CCCN1 Q62845 [0,1,0,1,0,0|2,0,0]=4 354 B8R1.7 NC(=O)C1CCCN1 P39079 [0,1,0,1,0,0|2,0,0]=4 355 B8R1.7 NC(=O)C1CCCN1 P42514 [0,1,0,1,0,0|2,0,0]=4 356 B8R1.7 NC(=O)C1CCNC1 G-5260 [0,1,0,1,0,0|2,0,0]=4 357 B8R1.7 NC(=O)[C@@H]1CCCN1 I-9393 [0,1,0,1,0,0|2,0,0]=4 358 B8R1.7 NC(=O)[C@@H]1CCCN1 P45231 [0,1,0,1,0,0|2,0,0]=4 359 B8R1.7 NC(=O)[C@@H]1CCNC1 G-5262 [0,1,0,1,0,0|2,0,0]=4 360 B8R1.7 NC(=O)[C@@H]1CCNC1 G-7539 [0,1,0,1,0,0|2,0,0]=4 361 B8R1.7 NC(=O)[C@H]1CCNC1 G-5261 [0,1,0,1,0,0|2,0,0]=4 362 B8R1.7 NC(=O)[C@H]1CCNC1 Q51836 [0,1,0,1,0,0|2,0,0]=4 363 B8R1.7 O=C(O)C1CC=CC1 G-6381 [0,1,0,1,0,0|2,0,0]=4 364 B8R1.7 O=C(O)C1CCNC1 G-5249 [0,1,0,1,0,0|1,0,0]=3 365 B8R1.7 O=C(O)C1CCOC1 C-3386 [0,1,0,1,0,0|1,1,0]=4 366 B8R1.7 O=C(O)C1SCCS1 L19481 [0,1,0,1,0,0|2,0,0]=4 367 B8R1.7 O=C(O)[C@@H]1C=CCN1 P39990 [0,1,0,1,0,0|1,0,1]=4 368 B8R1.7 O=C(O)[C@@H]1CCCN1 L13796 [0,1,0,1,0,0|1,0,0]=3 369 B8R1.7 O=C(O)[C@@H]1CCNC1 L18435 [0,1,0,1,0,0|1,0,0]=3 370 B8R1.7 O=C(O)[C@@H]1CCNC1 Q51834 [0,1,0,1,0,0|1,0,0]=3 371 B8R1.7 O=C(O)[C@@H]1CCOC1 C-2786 [0,1,0,1,0,0|1,1,0]=4 372 B8R1.7 O=C(O)[C@H]1C=CCN1 M22943 [0,1,0,1,0,0|1,0,1]=4 373 B8R1.7 O=C(O)[C@H]1CCNC1 G-5250 [0,1,0,1,0,0|1,0,0]=3 374 B8R1.7 O=C(O)[C@H]1CCNC1 P45277 [0,1,0,1,0,0|1,0,0]=3 375 B8R1.7 O=C(O)[C@H]1CCOC1 C-2785 [0,1,0,1,0,0|1,1,0]=4 376 B8R1.23 C=C1CC(C(=O)O)C1 D-2502 [0,1,0,1,0,0|2,0,0]=4 377 B8R1.23 CC1CC(C(=O)O)C1 L14063 [0,1,0,1,0,0|2,0,0]=4 378 B8R1.23 CN1CC(C(=O)O)C1 C-2243 [0,1,0,1,0,0|2,0,0]=4 379 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 G-6829 [0,1,0,1,0,0|2,0,0]=4 380 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 G-6830 [0,1,0,1,0,0|2,0,0]=4 381 B8R1.23 NC1CC(C(=O)O)C1 G-7780 [0,1,0,1,0,0|2,0,0]=4 382 B8R1.23 NC1CC(C(=O)O)C1 P47808 [0,1,0,1,0,0|2,0,0]=4 383 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 C-2277 [0,1,0,1,0,0|2,0,0]=4 384 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 C-2277-1 [0,1,0,1,0,0|2,0,0]=4 385 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 C-2278 [0,1,0,1,0,0|2,0,0]=4 386 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P44571 [0,1,0,1,0,0|2,0,0]=4 387 B8R1.23 O=C(O)C1CC(Cl)C1 F-4598 [0,1,0,1,0,0|2,0,0]=4 388 B8R1.23 O=C(O)C1CC(F)C1 D-2564 [0,1,0,1,0,0|2,0,0]=4 389 B8R1.23 O=C(O)C1CC(O)C1 A-876 [0,1,0,1,0,0|1,1,0]=4 390 B8R1.23 O=C(O)C1CC(O)C1 F-4100 [0,1,0,1,0,0|1,1,0]=4 391 B8R1.23 O=C(O)C1CC(O)C1 F-4101 [0,1,0,1,0,0|1,1,0]=4 392 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 L21925 [0,1,0,1,0,0|2,0,0]=4 393 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 L14175 [0,1,0,1,0,0|2,0,0]=4 394 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 L21353 [0,1,0,1,0,0|2,0,0]=4 395 B8R1.23 O=C1CC(C(=O)O)C1 D-2503 [0,1,0,1,0,0|1,1,0]=4 396 B8R1.23 O=C1CC(C(=O)O)N1 P34768 [0,1,0,1,0,0|0,1,0]=3 397 B8R1.23 O=C1CC(C(=O)O)O1 P44894 [0,1,0,1,0,0|1,1,0]=4 398 B8R1.23 O=C1C[C@@H](C(=O)O)N1 I-9933 [0,1,0,1,0,0|0,1,0]=3 399 B8R1.23 O=C1C[C@H](C(=O)O)N1 I-9634 [0,1,0,1,0,0|0,1,0]=3 400 B8R1.54 NC(=O)C(N)C1CC1 L20769 [0,1,0,1,0,0|2,0,0]=4 401 B8R1.54 NC(C(=O)O)C1CC1 O27895 [0,1,0,1,0,0|1,0,0]=3 402 B8R1.54 N[C@@H](C(=O)O)C1CC1 G-5951 [0,1,0,1,0,0|1,0,0]=3 403 B8R1.54 N[C@H](C(=O)O)C1CC1 O28968 [0,1,0,1,0,0|1,0,0]=3 404 B8R1.78 CC1(C(=O)O)CCC1 G-6550 [0,1,0,1,0,0|2,0,0]=4 405 B8R1.78 CC1(C(=O)O)CCN1 P50169 [0,1,0,1,0,0|1,0,0]=3 406 B8R1.78 CC1(C(=O)O)CCO1 Q56227 [0,1,0,1,0,0|1,1,0]=4 407 B8R1.78 CC1(C(=O)O)CNC1 L18025 [0,1,0,1,0,0|2,0,0]=4 408 B8R1.78 CC1(C(=O)O)CNC1 O28316 [0,1,0,1,0,0|2,0,0]=4 409 B8R1.78 CC1(C(=O)O)COC1 C-2391 [0,1,0,1,0,0|1,1,0]=4 410 B8R1.78 NC(=O)C1(N)CCC1 L20709 [0,1,0,1,0,0|2,0,0]=4 411 B8R1.78 NC(=O)C1(N)CCC1 P44318 [0,1,0,1,0,0|2,0,0]=4 412 B8R1.78 NC(=O)C1(N)CNC1 P48442 [0,1,0,1,0,0|2,0,0]=4 413 B8R1.78 NC1(C(=O)F)CCC1 P46353 [0,1,0,1,0,0|2,0,0]=4 414 B8R1.78 NC1(C(=O)O)CCC1 G-7616 [0,1,0,1,0,0|1,0,0]=3 415 B8R1.78 NC1(C(=O)O)CCC1 L13534 [0,1,0,1,0,0|1,0,0]=3 416 B8R1.78 NC1(C(=O)O)CNC1 C-3611 [0,1,0,1,0,0|1,0,0]=3 417 B8R1.78 NC1(C(=O)O)COC1 C-3395 [0,1,0,1,0,0|0,1,0]=3 418 B8R1.78 NC1(C(=O)O)CSC1 Q56475 [0,1,0,1,0,0|0,0,0]=2 419 B8R1.78 NC1(C(=O)O)CSC1 Q56476 [0,1,0,1,0,0|0,0,0]=2 420 B8R1.78 O=C(O)C1(Br)CCC1 Q56884 [0,1,0,1,0,0|2,0,0]=4 421 B8R1.78 O=C(O)C1(F)CCC1 P46428 [0,1,0,1,0,0|2,0,0]=4 422 B8R1.78 O=C(O)C1(F)CNC1 G-7923 [0,1,0,1,0,0|2,0,0]=4 423 B8R1.78 O=C(O)C1(O)CCC1 L14796 [0,1,0,1,0,0|2,0,0]=4 424 B8R1.78 O=C(O)C1(O)CNC1 L18244 [0,1,0,1,0,0|2,0,0]=4 425 B8R1.78 O=C(O)C1(O)COC1 L21345 [0,1,0,1,0,0|1,1,0]=4 426 B8R1.78 O=C(O)C1(S)CCC1 P47778 [0,1,0,1,0,0|2,0,0]=4 427 B8R1.11 CNC1CCNC1=O L20781 [0,1,0,1,0,0|2,0,0]=4 428 B8R1.11 N#CC1CSCC1=O L13982 [0,1,0,1,0,0|1,0,1]=4 429 B8R1.38 COC(=O)C1C=CC1 P47818 [0,1,0,1,0,0|2,0,0]=4 430 B8R1.38 COC(=O)C1CCC1 P45206 [0,1,0,1,0,0|2,0,0]=4 431 B8R1.38 COC(=O)C1CCN1 F-4237 [0,1,0,1,0,0|1,0,0]=3 432 B8R1.38 COC(=O)C1CNC1 A-420 [0,1,0,1,0,0|2,0,0]=4 433 B8R1.38 COC(=O)C1CNC1 F-4426 [0,1,0,1,0,0|2,0,0]=4 434 B8R1.38 COC(=O)C1COC1 L13768 [0,1,0,1,0,0|1,1,0]=4 435 B8R1.38 COC(=O)[C@@H]1CCN1 G-7134 [0,1,0,1,0,0|1,0,0]=3 436 B8R1.38 COC(=O)[C@H]1CCN1 G-7965 [0,1,0,1,0,0|1,0,0]=3 437 B8R1.38 O=C(CO)C1CCC1 P45459 [0,1,0,1,0,0|2,0,0]=4 438 B8R1.38 O=C(NO)C1CCC1 P45195 [0,1,0,1,0,0|2,0,0]=4 439 B8R1.39 COC(=O)C1(N)CC1 I-9591 [0,1,0,1,0,0|1,0,0]=3 440 B8R1.39 COC(=O)C1(O)CC1 I-9203 [0,1,0,1,0,0|2,0,0]=4 441 B8R1.50 CN1CC[C@@H](N)C1=O Q62091 [0,1,0,1,0,0|2,0,0]=4 442 B8R1.50 CN1CC[C@@H](N)C1=O Q63628 [0,1,0,1,0,0|2,0,0]=4 443 B8R1.50 CN1CC[C@H](N)C1=O Q62092 [0,1,0,1,0,0|2,0,0]=4 444 B8R1.50 CN1CC[C@H](N)C1=O Q63629 [0,1,0,1,0,0|2,0,0]=4 445 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53540 [0,1,0,1,0,0|1,1,0]=4 446 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53541 [0,1,0,1,0,0|1,1,0]=4 447 B8R1.58 CC1(CO)COC1=O Q62787 [0,1,0,1,0,0|1,1,0]=4 448 B8R1.63 C#CC1(C(=O)O)CC1 O32680 [0,1,0,1,0,0|2,0,0]=4 449 B8R1.63 CCC1(C(=O)O)CC1 L14120 [0,1,0,1,0,0|2,0,0]=4 450 B8R1.63 CNC1(C(=O)O)CC1 P34743 [0,1,0,1,0,0|1,0,0]=3 451 B8R1.63 N#CC1(C(=O)O)CC1 P36579 [0,1,0,1,0,0|1,0,1]=4 452 B8R1.63 NCC1(C(=O)O)CC1 P41310 [0,1,0,1,0,0|1,0,0]=3 453 B8R1.63 O=C(O)C1(CF)CC1 O32393 [0,1,0,1,0,0|2,0,0]=4 454 B8R1.63 O=C(O)C1(CO)CC1 O33574 [0,1,0,1,0,0|1,1,0]=4 455 B8R1.77 O=C(O)C1CC1(F)Cl P44593 [0,1,0,1,0,0|2,0,0]=4 456 B8R1.77 O=C(O)C1CC1(F)F L14556 [0,1,0,1,0,0|2,0,0]=4 457 B8R1.77 O=C(O)[C@@H]1CC1(F)F L14727 [0,1,0,1,0,0|2,0,0]=4 458 B8R2.66 O=C(O)C12CC1C2 H-8592 [0,0,0,2,0,0|2,0,0]=4 459 B8R0.9 C=CC(N)CCC(=O)O M15322 [0,0,0,0,0,2|1,0,1]=4 460 B8R0.9 CCC(C)OCC(=O)O P34749 [0,0,0,0,0,2|2,0,0]=4