0 B6R0.3 C=C[C@@H](C)C(=O)O H-8974 [0,0,0,0,0,0|0,0,2]=2 1 B6R0.3 C=C[C@H](C)C(=O)O H-8989 [0,0,0,0,0,0|0,0,2]=2 2 B6R0.3 CCC(N)C(N)=O P35312 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.3 CC[C@@H](Br)C(=O)O P45858 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.3 CC[C@@H](O)C(=O)O P40022 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.3 CC[C@H](Br)C(=O)O P45751 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.3 CC[C@H](O)C(=O)O P38746 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.3 CNC(C)C(N)=O P41317 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.3 CO[C@@H](C)C(=O)O I-9183 [0,0,0,0,0,0|1,0,1]=2 9 B6R0.3 C[C@@H](CN)C(=O)O Q69056 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.3 C[C@@H](CN)C(=O)O Q69059 [0,0,0,0,0,0|1,0,2]=3 11 B6R0.3 C[C@H](CN)C(=O)O Q69061 [0,0,0,0,0,0|1,0,2]=3 12 B6R0.3 C[C@H](CN)C(=O)O Q69064 [0,0,0,0,0,0|1,0,2]=3 13 B6R0.3 C[C@H](CO)C(=O)O 10021 [0,0,0,0,0,0|1,0,2]=3 14 B6R0.3 C\C=C(/F)C(=O)O F-4310 [0,0,0,0,0,0|1,0,0]=1 15 B6R0.3 C\C=C(\C)B(O)O O32816 [0,0,0,0,0,0|1,0,1]=2 16 B6R0.3 NCC(N)C(=O)O P37494 [0,0,0,0,0,0|2,0,2]=4 17 B6R0.3 NCC(O)C(=O)O O28965 [0,0,0,0,0,0|2,0,2]=4 18 B6R0.3 NC[C@@H](O)C(=O)O 10685 [0,0,0,0,0,0|2,0,2]=4 19 B6R0.3 NC[C@H](N)C(=O)O P40075 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.1 C\C=C\B(O)O M24053 [1,0,0,0,0,0|1,0,1]=3 21 B5R0.1 O=C(O)CCF A-698 [1,0,0,0,0,0|1,0,2]=4 22 B5R0.3 CNC(=O)CO P37539 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.3 CNC(C)CO M23268 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.3 CN[C@@H](C)CO P38191 [1,0,0,0,0,0|1,0,2]=4 25 B5R0.3 CN[C@H](C)CO P41018 [1,0,0,0,0,0|1,0,2]=4 26 B5R0.5 C=C(C)B(O)O P51397 [1,0,0,0,0,0|1,0,1]=3 27 B5R0.5 C=C(F)C(=O)O P51526 [1,0,0,0,0,0|1,0,0]=2 28 B5R0.5 CC(C)S(N)=O O29745 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.5 CC(N)C(N)=O P37963 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.5 CC(O)C(N)=O P39940 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.5 C[C@@H](O)C(N)=O P37171 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.5 C=CC[C@@H](N)C(=O)O P37509 [0,1,0,0,0,0|1,0,2]=4 33 B7R0.5 C=CC[C@H](N)C(=O)O O28653 [0,1,0,0,0,0|1,0,2]=4 34 B7R0.5 C=CC[C@H](N)C(=O)O P40769 [0,1,0,0,0,0|1,0,2]=4 35 B7R0.5 CC(=O)N(C)CCN P35211 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.5 CCC[C@H](O)C(=O)O P51274 [0,1,0,0,0,0|1,0,2]=4 37 B7R0.5 CCNC(C)C(=O)O P36832 [0,1,0,0,0,0|0,0,2]=3 38 B7R0.5 CCN[C@@H](C)C(=O)O P36816 [0,1,0,0,0,0|0,0,2]=3 39 B7R0.5 CCN[C@H](C)C(=O)O P35138 [0,1,0,0,0,0|0,0,2]=3 40 B7R0.5 CCOC(=O)C(=O)O P37044 [0,1,0,0,0,0|1,0,1]=3 41 B7R0.5 COC[C@@H](N)C(=O)O P35719 [0,1,0,0,0,0|1,0,2]=4 42 B7R0.5 COC[C@H](N)C(=O)O P38808 [0,1,0,0,0,0|1,0,2]=4 43 B7R0.5 N[C@@H](CCBr)C(=O)O P41033 [0,1,0,0,0,0|1,0,2]=4 44 B7R0.5 N[C@@H](CCS)C(=O)O A-694 [0,1,0,0,0,0|1,0,2]=4 45 B7R0.10 CCC(=O)N(C)OC P42839 [0,1,0,0,0,0|3,0,0]=4 46 B7R0.10 CCN(C)C(=O)CN P36486 [0,1,0,0,0,0|2,0,1]=4 47 B7R0.10 CN[C@@H](C)C(=O)OC P40007 [0,1,0,0,0,0|1,0,1]=3 48 B7R0.10 COC(=O)C(C)CN P35475 [0,1,0,0,0,0|1,0,2]=4 49 B7R0.13 C#CC(C)(C)C(=O)O H-8770 [0,1,0,0,0,0|0,0,3]=4 50 B7R0.13 CC(C)(CN)C(=O)O P40193 [0,1,0,0,0,0|1,0,2]=4 51 B7R0.13 CCC(C)(N)C(=O)O P37187 [0,1,0,0,0,0|0,0,2]=3 52 B7R0.13 CC[C@@](C)(N)C(=O)O Q68927 [0,1,0,0,0,0|0,0,2]=3 53 B7R0.13 CC[C@](C)(N)C(=O)O Q68924 [0,1,0,0,0,0|0,0,2]=3 54 B7R0.13 CNC(C)(C)C(=O)O P39308 [0,1,0,0,0,0|1,0,1]=3 55 B7R0.13 C[C@@](N)(CO)C(=O)O Q68933 [0,1,0,0,0,0|1,0,2]=4 56 B7R0.13 C[C@](N)(CO)C(=O)O Q68930 [0,1,0,0,0,0|1,0,2]=4 57 B7R0.14 C\C=C(/C)[B-](F)(F)F O30848 [0,1,0,0,0,0|3,0,0]=4 58 B7R0.15 CCC(NC)C(=O)O P42253 [0,1,0,0,0,0|0,0,2]=3 59 B7R0.15 C\C=C(/C#N)C(=O)O F-4312 [0,1,0,0,0,0|0,0,1]=2 60 B7R0.15 NC[C@@H](CO)C(=O)O Q69031 [0,1,0,0,0,0|1,0,2]=4 61 B7R0.15 NC[C@@H](CO)C(=O)O Q69034 [0,1,0,0,0,0|1,0,2]=4 62 B7R0.15 NC[C@H](CO)C(=O)O Q69035 [0,1,0,0,0,0|1,0,2]=4 63 B7R0.15 NC[C@H](CO)C(=O)O Q69038 [0,1,0,0,0,0|1,0,2]=4 64 B7R0.16 CC(C(=O)O)N(C)C P40714 [0,1,0,0,0,0|1,0,1]=3 65 B7R0.16 CC(C)[C@@H](O)C(=O)O P40530 [0,1,0,0,0,0|1,0,2]=4 66 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O P39382 [0,1,0,0,0,0|1,0,2]=4 67 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O Q70089 [0,1,0,0,0,0|1,0,2]=4 68 B7R1.4 CC1=C(C)NN=C1 Q55565 [0,0,0,1,0,0|3,0,0]=4 69 B7R1.4 CC1=C(N)NN=C1 F-4795 [0,0,0,1,0,0|3,0,0]=4 70 B7R1.4 CC1=CNC=C1C C-3629 [0,0,0,1,0,0|3,0,0]=4 71 B7R1.4 CC1=CNN=C1Br G-5785 [0,0,0,1,0,0|3,0,0]=4 72 B7R1.4 CC1=CNN=C1Cl Q61499 [0,0,0,1,0,0|3,0,0]=4 73 B7R1.4 CC1=CSC=C1Br Q66876 [0,0,0,1,0,0|3,0,0]=4 74 B7R1.4 CC1=CSC=C1C Q70046 [0,0,0,1,0,0|3,0,0]=4 75 B7R1.4 CC1=CSC=C1N L14926 [0,0,0,1,0,0|3,0,0]=4 76 B7R1.4 CC1CCNC1=O O30375 [0,0,0,1,0,0|1,0,2]=4 77 B7R1.4 C[C@@H]1CCNC1=O Q61716 [0,0,0,1,0,0|1,0,2]=4 78 B7R1.4 C[C@H]1CCNC1=O Q61658 [0,0,0,1,0,0|1,0,2]=4 79 B7R1.4 O=C1CCC=C1O A-670 [0,0,0,1,0,0|2,0,0]=3 80 B7R1.4 O=C1CCCC1=O L19145 [0,0,0,1,0,0|2,0,1]=4 81 B7R1.4 O=C1CCNC1=O Q62042 [0,0,0,1,0,0|2,0,1]=4 82 B7R1.4 OC1CCC=C1Br O29401 [0,0,0,1,0,0|2,0,1]=4 83 B7R1.8 COC1CCC1=O P45632 [0,0,0,1,0,0|2,0,1]=4 84 B7R1.12 CC1CC1C(=O)Cl O31612 [0,0,0,1,0,0|1,0,2]=4 85 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P44059 [0,0,0,1,0,0|0,0,2]=3 86 B7R1.12 C[C@@H]1C[C@H]1C(=O)O L22375 [0,0,0,1,0,0|0,0,2]=3 87 B7R1.12 C[C@H]1C[C@H]1C(=O)O O33127 [0,0,0,1,0,0|0,0,2]=3 88 B7R1.12 O=C(O)C1CC1F Q52394 [0,0,0,1,0,0|1,0,2]=4 89 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F K10809 [0,0,0,1,0,0|1,0,2]=4 90 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33126 [0,0,0,1,0,0|1,0,2]=4 91 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33327 [0,0,0,1,0,0|1,0,2]=4 92 B7R1.12 O=C(O)[C@H]1C[C@@H]1F O33229 [0,0,0,1,0,0|1,0,2]=4 93 B7R1.12 O=C(O)[C@H]1C[C@H]1F K10802 [0,0,0,1,0,0|1,0,2]=4 94 B7R1.18 CC(=O)C1CCC1 Q54751 [0,0,0,1,0,0|1,0,2]=4 95 B7R1.18 CC(=O)N1CCC1 P45596 [0,0,0,1,0,0|2,0,1]=4 96 B7R1.18 NC(=O)C1CCC1 O34470 [0,0,0,1,0,0|1,0,2]=4 97 B7R1.18 NC(=O)C1CCN1 O28301 [0,0,0,1,0,0|2,0,1]=4 98 B7R1.18 NC(=O)N1CCC1 P45464 [0,0,0,1,0,0|2,0,1]=4 99 B7R1.18 O=C(O)C1CCN1 B-1112 [0,0,0,1,0,0|1,0,1]=3 100 B7R1.18 O=C(O)C1CCO1 D-2702 [0,0,0,1,0,0|1,0,1]=3 101 B7R1.18 O=C(O)C1CNC1 A-422 [0,0,0,1,0,0|1,0,2]=4 102 B7R1.18 O=C(O)C1CNC1 P42961 [0,0,0,1,0,0|1,0,2]=4 103 B7R1.18 O=C(O)C1COC1 A-970 [0,0,0,1,0,0|1,0,2]=4 104 B7R1.18 O=C(O)C1CSC1 H-8019 [0,0,0,1,0,0|1,0,2]=4 105 B7R1.18 O=C(O)[C@@H]1CCN1 B-1110 [0,0,0,1,0,0|1,0,1]=3 106 B7R1.18 O=C(O)[C@@H]1CCN1 P46195 [0,0,0,1,0,0|1,0,1]=3 107 B7R1.18 O=C(O)[C@@H]1CCO1 Q62698 [0,0,0,1,0,0|1,0,1]=3 108 B7R1.18 O=C(O)[C@H]1CCN1 B-1109 [0,0,0,1,0,0|1,0,1]=3 109 B7R1.18 O=C(O)[C@H]1CCN1 P45364 [0,0,0,1,0,0|1,0,1]=3 110 B7R1.18 O=C(O)[C@H]1CCO1 Q62699 [0,0,0,1,0,0|1,0,1]=3 111 B7R1.18 O=C([O-])C1=CCC1 P50045 [0,0,0,1,0,0|0,0,1]=2 112 B7R1.19 CC1(C(=O)Cl)CC1 L13117 [0,0,0,1,0,0|1,0,2]=4 113 B7R1.19 CC1(C(=O)O)CC1 G-6948 [0,0,0,1,0,0|0,0,2]=3 114 B7R1.19 CC1(C(N)=O)CC1 O34284 [0,0,0,1,0,0|1,0,2]=4 115 B7R1.19 NC1(C(=O)O)CC1 G-5950 [0,0,0,1,0,0|1,0,2]=4 116 B7R1.19 O=C(O)C1(Br)CC1 O34313 [0,0,0,1,0,0|1,0,2]=4 117 B7R1.19 O=C(O)C1(F)CC1 O33313 [0,0,0,1,0,0|1,0,2]=4 118 B7R1.19 O=C(O)C1(O)CC1 I-9870 [0,0,0,1,0,0|1,0,2]=4 119 B7R0.2 CCC(=O)CC(=O)O P43007 [0,0,0,0,0,1|1,0,1]=3 120 B7R0.2 CCC(=O)CC(C)=O O31794 [0,0,0,0,0,1|2,0,1]=4 121 B7R0.2 CC[C@@H](N)CC(=O)O M23217 [0,0,0,0,0,1|1,0,2]=4 122 B7R0.2 CC[C@H](N)CC(=O)O M23203 [0,0,0,0,0,1|1,0,2]=4 123 B7R0.2 CNC(=O)CC(=O)O P38150 [0,0,0,0,0,1|2,0,0]=3 124 B4R0.1 C#CC(C)=O P41295 [2,0,0,0,0,0|0,0,2]=4 125 B4R0.1 C=C(C)CN P39039 [2,0,0,0,0,0|1,0,1]=4 126 B4R0.1 CC(=O)CN P45193 [2,0,0,0,0,0|1,0,1]=4 127 B4R0.1 CC(C)NO O30196 [2,0,0,0,0,0|1,0,1]=4 128 B4R0.2 COCC=O F-4461 [2,0,0,0,0,0|1,0,1]=4 129 B6R0.1 CCNC(=O)CO O31312 [1,1,0,0,0,0|1,0,1]=4 130 B6R0.2 CC(O)CC(=O)O P38963 [1,1,0,0,0,0|0,0,2]=4 131 B6R0.2 C[C@@H](N)CC(=O)O P38442 [1,1,0,0,0,0|0,0,2]=4 132 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [1,1,0,0,0,0|0,0,2]=4 133 B6R0.2 C[C@@H](O)CC(=O)O P36990 [1,1,0,0,0,0|0,0,2]=4 134 B6R0.2 C[C@H](N)CC(=O)O P38443 [1,1,0,0,0,0|0,0,2]=4 135 B6R0.2 C[C@H](O)CC(=O)O P37046 [1,1,0,0,0,0|0,0,2]=4 136 B6R0.4 CCNCC(=O)O P37534 [1,1,0,0,0,0|0,0,2]=4 137 B6R0.4 CNCCC(=O)O P36779 [1,1,0,0,0,0|0,0,2]=4 138 B6R0.4 CNCCC(=O)O P39205 [1,1,0,0,0,0|0,0,2]=4 139 B6R0.4 O=C(O)\C=C\CBr P41388 [1,1,0,0,0,0|0,0,0]=2 140 B6R0.4 O=CNCC(=O)O P39379 [1,1,0,0,0,0|1,0,1]=4 141 B6R0.7 CC(C)(N)C(N)=O P40473 [1,1,0,0,0,0|1,0,1]=4 142 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O O28696 [0,1,0,0,0,1|0,0,2]=4 143 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O O28455 [0,1,0,0,0,1|0,0,2]=4 144 B8R0.16 CCN(CC)CC(=O)O P40850 [0,1,0,0,0,1|1,0,1]=4 145 B8R0.23 CC(=O)N(C)CC(=O)O P37214 [0,1,0,0,0,1|1,0,0]=3 146 B8R0.23 CC(C)N(C)CC(=O)O P42706 [0,1,0,0,0,1|1,0,1]=4 147 B8R0.23 C[C@@H](CC(=O)O)C(=O)O P39685 [0,1,0,0,0,1|1,0,1]=4 148 B8R0.34 COC(C)(C)CC(=O)O O32626 [0,1,0,0,0,1|1,0,1]=4 149 B8R0.3 COCC(=O)N(C)OC P41688 [0,2,0,0,0,0|2,0,0]=4 150 B8R0.3 CO\C=C(/I)C(=O)OC O32141 [0,2,0,0,0,0|1,0,0]=3 151 B8R0.8 C#CCOC(C)C(=O)O O29907 [0,2,0,0,0,0|1,0,1]=4 152 B8R0.15 C=CCC(CC)C(=O)O Q69583 [0,2,0,0,0,0|0,0,2]=4 153 B8R0.15 CCC[C@@H](NC)C(=O)O P36548 [0,2,0,0,0,0|0,0,2]=4 154 B8R0.15 CCC[C@H](NC)C(=O)O P40204 [0,2,0,0,0,0|0,0,2]=4 155 B8R0.36 CCC(N)(CC)C(=O)O P39311 [0,2,0,0,0,0|0,0,2]=4 156 B8R0.37 CC(C)C(C)(O)C(=O)O Q69152 [0,2,0,0,0,0|0,0,2]=4 157 B8R0.37 CC(C)[C@@](C)(N)C(=O)O Q68939 [0,2,0,0,0,0|0,0,2]=4 158 B8R0.37 CC(C)[C@](C)(N)C(=O)O Q68936 [0,2,0,0,0,0|0,0,2]=4 159 B8R0.37 CN(C)C(C)(C)C(=O)O P34770 [0,2,0,0,0,0|1,0,1]=4 160 B8R0.18 CC(C)[C@@H](CN)C(=O)O Q69066 [0,2,0,0,0,0|0,0,2]=4 161 B8R0.18 CC(C)[C@@H](CN)C(=O)O Q69069 [0,2,0,0,0,0|0,0,2]=4 162 B8R0.18 CC(C)[C@H](CN)C(=O)O Q69070 [0,2,0,0,0,0|0,0,2]=4 163 B8R0.18 CC(C)[C@H](CN)C(=O)O Q69073 [0,2,0,0,0,0|0,0,2]=4 164 B8R0.18 CNC(C(=O)O)C(C)C P39309 [0,2,0,0,0,0|0,0,2]=4 165 B8R0.18 CN[C@H](C(=O)O)C(C)C P40211 [0,2,0,0,0,0|0,0,2]=4 166 B6R1.2 BrC1=CC=CO1 P37236 [1,0,0,1,0,0|1,0,1]=4 167 B6R1.2 O=C1C=CSN1 K10928 [1,0,0,1,0,0|2,0,0]=4 168 B6R1.2 OC1C=CCC1 Q62924 [1,0,0,1,0,0|1,0,1]=4 169 B6R1.4 CC1CCC1=O P47956 [1,0,0,1,0,0|0,0,2]=4 170 B6R1.4 CC1OCC1=O L18036 [1,0,0,1,0,0|1,0,1]=4 171 B6R1.6 ON=C1CCC1 P45801 [1,0,0,1,0,0|1,0,1]=4 172 B8R1.1 C=CC1COC(=O)C1 F-4407 [0,0,0,1,0,1|0,0,2]=4 173 B8R1.4 CC1=CC(=O)NN=C1 Q55625 [0,0,0,1,0,1|2,0,0]=4 174 B8R1.4 CC1=CCCC(=O)C1 O32064 [0,0,0,1,0,1|1,0,0]=3 175 B8R1.4 CC1=CN=CC(O)=C1 O30725 [0,0,0,1,0,1|2,0,0]=4 176 B8R1.4 CC1=CN=NC(=O)C1 O30337 [0,0,0,1,0,1|2,0,0]=4 177 B8R1.4 CN1CCOC(=O)C1 Q54674 [0,0,0,1,0,1|1,0,1]=4 178 B8R1.4 O=C1CCOC(=O)C1 H-8796 [0,0,0,1,0,1|1,0,1]=4 179 B8R1.18 CC1=C(C)SC(N)=N1 Q65622 [0,0,0,1,0,1|1,1,0]=4 180 B8R1.20 CC1CC1CC(=O)O O29360 [0,0,0,1,0,1|0,0,2]=4 181 B8R1.31 CC1CCC1C(=O)O P45629 [0,0,0,1,0,1|0,0,2]=4 182 B8R1.31 CC1NCC1C(=O)O L22133 [0,0,0,1,0,1|1,0,1]=4 183 B8R1.31 CN1CCC1C(=O)O P49637 [0,0,0,1,0,1|1,0,1]=4 184 B8R1.31 CN1CC[C@@H]1C(=O)O H-8820 [0,0,0,1,0,1|1,0,1]=4 185 B8R1.31 CN1CC[C@H]1C(=O)O H-8821 [0,0,0,1,0,1|1,0,1]=4 186 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O P50093 [0,0,0,1,0,1|1,0,1]=4 187 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O K13449 [0,0,0,1,0,1|1,0,1]=4 188 B8R1.31 O=C(O)C1CNC1=O P47917 [0,0,0,1,0,1|2,0,0]=4 189 B8R1.31 O=C(O)[C@@H]1CNC1=O P46680 [0,0,0,1,0,1|2,0,0]=4 190 B8R1.31 O=C(O)[C@H]1CNC1=O P46158 [0,0,0,1,0,1|2,0,0]=4 191 B8R1.34 O=C(O)C=C1CCC1 G-6914 [0,0,0,1,0,1|0,0,1]=3 192 B8R1.34 O=C(O)C=C1CNC1 P45911 [0,0,0,1,0,1|1,0,1]=4 193 B8R1.34 O=C(O)CC1CCC1 P44572 [0,0,0,1,0,1|0,0,2]=4 194 B8R1.34 O=C(O)CC1CCN1 P44826 [0,0,0,1,0,1|1,0,1]=4 195 B8R1.34 O=C(O)CC1CCO1 F-4762 [0,0,0,1,0,1|1,0,1]=4 196 B8R1.34 O=C(O)CN1CCC1 H-8105 [0,0,0,1,0,1|1,0,1]=4 197 B8R1.34 O=C(O)C[C@@H]1CCO1 Q56144 [0,0,0,1,0,1|1,0,1]=4 198 B8R1.34 O=C(O)C[C@H]1CCO1 Q56143 [0,0,0,1,0,1|1,0,1]=4 199 B8R1.5 CC1=C(O)C=CN=C1 E-3032 [0,1,0,1,0,0|1,0,1]=4 200 B8R1.5 CC1=CC=NC=C1O E-3031 [0,1,0,1,0,0|1,0,1]=4 201 B8R1.5 CC1=CC=NNC1=O G-6419 [0,1,0,1,0,0|1,0,1]=4 202 B8R1.5 CC1=CN=CNC1=O L18637 [0,1,0,1,0,0|1,0,1]=4 203 B8R1.5 CC1=NC=CC=C1O G-6807 [0,1,0,1,0,0|1,0,1]=4 204 B8R1.5 O=C1OC=CC=C1O M15566 [0,1,0,1,0,0|1,0,1]=4 205 B8R1.7 O=C(O)C1=CC=NS1 P51141 [0,1,0,1,0,0|1,0,1]=4 206 B8R1.7 O=C(O)C1=CNN=C1 G-5584 [0,1,0,1,0,0|1,0,1]=4 207 B8R1.7 O=C(O)C1=CNN=N1 F-4261 [0,1,0,1,0,0|2,0,0]=4 208 B8R1.7 O=C(O)C1=COC=N1 I-9284 [0,1,0,1,0,0|1,0,1]=4 209 B8R1.7 O=C(O)C1=COCC1 C-2964 [0,1,0,1,0,0|0,0,0]=2 210 B8R1.7 O=C(O)C1=CSN=C1 L22423 [0,1,0,1,0,0|1,0,1]=4 211 B8R1.7 O=C(O)C1=NC=CO1 F-4564 [0,1,0,1,0,0|1,0,1]=4 212 B8R1.7 O=C(O)C1=NC=NO1 H-8647 [0,1,0,1,0,0|2,0,0]=4 213 B8R1.7 O=C(O)C1=NNC=C1 I-9172 [0,1,0,1,0,0|1,0,1]=4 214 B8R1.7 O=C(O)C1=NSC=C1 O30998 [0,1,0,1,0,0|1,0,1]=4 215 B8R1.7 O=C(O)C1CC=CC1 G-6381 [0,1,0,1,0,0|0,0,2]=4 216 B8R1.7 O=C(O)C1CCNC1 G-5249 [0,1,0,1,0,0|0,0,2]=4 217 B8R1.7 O=C(O)C1CCOC1 C-3386 [0,1,0,1,0,0|0,0,2]=4 218 B8R1.7 O=C(O)C1SCCS1 L19481 [0,1,0,1,0,0|1,0,1]=4 219 B8R1.7 O=C(O)[C@@H]1C=CCN1 P39990 [0,1,0,1,0,0|0,0,2]=4 220 B8R1.7 O=C(O)[C@@H]1CCCN1 L13796 [0,1,0,1,0,0|0,0,2]=4 221 B8R1.7 O=C(O)[C@@H]1CCNC1 L18435 [0,1,0,1,0,0|0,0,2]=4 222 B8R1.7 O=C(O)[C@@H]1CCNC1 Q51834 [0,1,0,1,0,0|0,0,2]=4 223 B8R1.7 O=C(O)[C@@H]1CCOC1 C-2786 [0,1,0,1,0,0|0,0,2]=4 224 B8R1.7 O=C(O)[C@H]1C=CCN1 M22943 [0,1,0,1,0,0|0,0,2]=4 225 B8R1.7 O=C(O)[C@H]1CCNC1 G-5250 [0,1,0,1,0,0|0,0,2]=4 226 B8R1.7 O=C(O)[C@H]1CCNC1 P45277 [0,1,0,1,0,0|0,0,2]=4 227 B8R1.7 O=C(O)[C@H]1CCOC1 C-2785 [0,1,0,1,0,0|0,0,2]=4 228 B8R1.23 C=C1CC(C(=O)O)C1 D-2502 [0,1,0,1,0,0|0,0,2]=4 229 B8R1.23 CC1CC(C(=O)O)C1 L14063 [0,1,0,1,0,0|0,0,2]=4 230 B8R1.23 CN1CC(C(=O)O)C1 C-2243 [0,1,0,1,0,0|0,0,2]=4 231 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 G-6829 [0,1,0,1,0,0|0,0,2]=4 232 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 G-6830 [0,1,0,1,0,0|0,0,2]=4 233 B8R1.23 NC1CC(C(=O)O)C1 G-7780 [0,1,0,1,0,0|0,0,2]=4 234 B8R1.23 NC1CC(C(=O)O)C1 P47808 [0,1,0,1,0,0|0,0,2]=4 235 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 C-2277 [0,1,0,1,0,0|0,0,2]=4 236 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 C-2277-1 [0,1,0,1,0,0|0,0,2]=4 237 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 C-2278 [0,1,0,1,0,0|0,0,2]=4 238 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P44571 [0,1,0,1,0,0|0,0,2]=4 239 B8R1.23 O=C(O)C1CC(Cl)C1 F-4598 [0,1,0,1,0,0|0,0,2]=4 240 B8R1.23 O=C(O)C1CC(F)C1 D-2564 [0,1,0,1,0,0|0,0,2]=4 241 B8R1.23 O=C(O)C1CC(O)C1 A-876 [0,1,0,1,0,0|0,0,2]=4 242 B8R1.23 O=C(O)C1CC(O)C1 F-4100 [0,1,0,1,0,0|0,0,2]=4 243 B8R1.23 O=C(O)C1CC(O)C1 F-4101 [0,1,0,1,0,0|0,0,2]=4 244 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 L21925 [0,1,0,1,0,0|0,0,2]=4 245 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 L14175 [0,1,0,1,0,0|0,0,2]=4 246 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 L21353 [0,1,0,1,0,0|0,0,2]=4 247 B8R1.23 O=C1CC(C(=O)O)C1 D-2503 [0,1,0,1,0,0|1,0,1]=4 248 B8R1.23 O=C1CC(C(=O)O)N1 P34768 [0,1,0,1,0,0|1,0,1]=4 249 B8R1.23 O=C1CC(C(=O)O)O1 P44894 [0,1,0,1,0,0|1,0,1]=4 250 B8R1.23 O=C1C[C@@H](C(=O)O)N1 I-9933 [0,1,0,1,0,0|1,0,1]=4 251 B8R1.23 O=C1C[C@H](C(=O)O)N1 I-9634 [0,1,0,1,0,0|1,0,1]=4 252 B8R1.78 CC1(C(=O)O)CCC1 G-6550 [0,1,0,1,0,0|0,0,2]=4 253 B8R1.78 CC1(C(=O)O)CCN1 P50169 [0,1,0,1,0,0|0,0,2]=4 254 B8R1.78 CC1(C(=O)O)CCO1 Q56227 [0,1,0,1,0,0|0,0,2]=4 255 B8R1.78 CC1(C(=O)O)CNC1 L18025 [0,1,0,1,0,0|0,0,2]=4 256 B8R1.78 CC1(C(=O)O)CNC1 O28316 [0,1,0,1,0,0|0,0,2]=4 257 B8R1.78 CC1(C(=O)O)COC1 C-2391 [0,1,0,1,0,0|0,0,2]=4 258 B8R1.78 NC1(C(=O)O)CCC1 G-7616 [0,1,0,1,0,0|0,0,2]=4 259 B8R1.78 NC1(C(=O)O)CCC1 L13534 [0,1,0,1,0,0|0,0,2]=4 260 B8R1.78 O=C(O)C1(Br)CCC1 Q56884 [0,1,0,1,0,0|0,0,2]=4 261 B8R1.78 O=C(O)C1(F)CCC1 P46428 [0,1,0,1,0,0|0,0,2]=4 262 B8R1.78 O=C(O)C1(O)CCC1 L14796 [0,1,0,1,0,0|0,0,2]=4 263 B8R1.78 O=C(O)C1(S)CCC1 P47778 [0,1,0,1,0,0|0,0,2]=4 264 B8R1.11 CC1=C(CN)C=NO1 L18895 [0,1,0,1,0,0|2,0,0]=4 265 B8R1.11 CC1=CNN=C1C=O Q60308 [0,1,0,1,0,0|2,0,0]=4 266 B8R1.11 CC1=CNN=C1CO Q61877 [0,1,0,1,0,0|2,0,0]=4 267 B8R1.11 CC1=CSC=C1C=O L14435 [0,1,0,1,0,0|2,0,0]=4 268 B8R1.11 NCC1=CNNC1=O Q52410 [0,1,0,1,0,0|2,0,0]=4 269 B8R1.25 O=C1C(=O)C(O)=C1O P45810 [0,1,0,1,0,0|2,0,0]=4 270 B8R1.38 COC(=O)C1C=CC1 P47818 [0,1,0,1,0,0|0,0,2]=4 271 B8R1.38 COC(=O)C1CCC1 P45206 [0,1,0,1,0,0|0,0,2]=4 272 B8R1.38 COC(=O)C1CCN1 F-4237 [0,1,0,1,0,0|1,0,1]=4 273 B8R1.38 COC(=O)[C@@H]1CCN1 G-7134 [0,1,0,1,0,0|1,0,1]=4 274 B8R1.38 COC(=O)[C@H]1CCN1 G-7965 [0,1,0,1,0,0|1,0,1]=4 275 B8R1.38 O=C(CO)C1CCC1 P45459 [0,1,0,1,0,0|0,0,2]=4 276 B8R1.38 O=C(NO)C1CCC1 P45195 [0,1,0,1,0,0|0,0,2]=4 277 B8R1.50 CC1=C(C)C(N)=NO1 A-570 [0,1,0,1,0,0|1,0,0]=3 278 B8R1.50 CC1=C(O)C=NN1C Q61947 [0,1,0,1,0,0|2,0,0]=4 279 B8R1.50 CC1=C(O)COC1=O O32297 [0,1,0,1,0,0|0,0,0]=2 280 B8R1.50 CC1=NOC(C)=C1Br C-3323 [0,1,0,1,0,0|2,0,0]=4 281 B8R1.50 CN1CCC(O)C1=O Q62094 [0,1,0,1,0,0|1,0,1]=4 282 B8R1.50 O=C1CCC(O)=C1F Q54658 [0,1,0,1,0,0|2,0,0]=4 283 B8R1.50 O=C1CCC(O)=C1I Q54659 [0,1,0,1,0,0|2,0,0]=4 284 B8R1.63 CCC1(C(=O)O)CC1 L14120 [0,1,0,1,0,0|0,0,2]=4 285 B8R1.63 CNC1(C(=O)O)CC1 P34743 [0,1,0,1,0,0|0,0,2]=4 286 B8R1.63 NCC1(C(=O)O)CC1 P41310 [0,1,0,1,0,0|0,0,2]=4 287 B8R1.63 O=C(O)C1(CF)CC1 O32393 [0,1,0,1,0,0|0,0,2]=4 288 B8R1.63 O=C(O)C1(CO)CC1 O33574 [0,1,0,1,0,0|0,0,2]=4 289 B8R2.66 O=C(O)C12CC1C2 H-8592 [0,0,0,2,0,0|0,0,2]=4 290 B8R0.9 CCC(C)OCC(=O)O P34749 [0,0,0,0,0,2|0,0,2]=4