0 B6R0.2 CC(=O)NC(C)C P50955 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.2 CC(C)C[C@@H](C)O Q70085 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.2 CC(O)CC(=O)O P38963 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.2 CN(C)CC(N)=O P36935 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.2 C[C@@H](N)CC(=O)O P38442 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.2 C[C@@H](O)CC(=O)O P36990 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.2 C[C@H](N)CC(=O)O P38443 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.2 C[C@H](O)CC(=O)O P37046 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.1 C\C=C\B(O)O M24053 [1,0,0,0,0,0|1,0,1]=3 10 B5R0.1 O=C(O)CCF A-698 [1,0,0,0,0,0|1,0,2]=4 11 B7R0.2 C#CC(=O)OC(C)C S86242 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.2 C=CC(=O)CC(C)C L19279 [0,1,0,0,0,0|1,0,2]=4 13 B7R0.2 CC(C)NC(=O)CBr P36229 [0,1,0,0,0,0|2,0,1]=4 14 B7R0.2 CC(C)NC(=O)CN P36647 [0,1,0,0,0,0|2,0,1]=4 15 B7R0.2 CC(C)NC(=O)CN P37073 [0,1,0,0,0,0|2,0,1]=4 16 B7R0.2 CCC(=O)CC(=O)O P43007 [0,1,0,0,0,0|1,0,1]=3 17 B7R0.2 CCC(=O)CC(C)=O O31794 [0,1,0,0,0,0|2,0,1]=4 18 B7R0.2 CC[C@@H](N)CC(=O)O M23217 [0,1,0,0,0,0|1,0,2]=4 19 B7R0.2 CC[C@H](N)CC(=O)O M23203 [0,1,0,0,0,0|1,0,2]=4 20 B7R0.2 CNC(=O)CC(=O)O P38150 [0,1,0,0,0,0|1,0,1]=3 21 B7R0.2 COC(=O)CC(C)N P41489 [0,1,0,0,0,0|1,0,2]=4 22 B7R0.2 COC(=O)CN(C)C P36457 [0,1,0,0,0,0|1,0,1]=3 23 B7R0.2 COC(=O)C[C@@H](C)N Q68958 [0,1,0,0,0,0|1,0,2]=4 24 B7R0.2 NCC(O)CC(=O)O P35068 [0,1,0,0,0,0|1,0,2]=4 25 B7R0.2 N[C@@H](CO)CC(=O)O Q68983 [0,1,0,0,0,0|1,0,2]=4 26 B7R0.2 N[C@@H](CO)CC(=O)O Q68986 [0,1,0,0,0,0|1,0,2]=4 27 B7R0.2 N[C@H](CO)CC(=O)O Q68987 [0,1,0,0,0,0|1,0,2]=4 28 B7R0.2 N[C@H](CO)CC(=O)O Q68989 [0,1,0,0,0,0|1,0,2]=4 29 B7R0.16 CC(C(=O)O)N(C)C P40714 [0,1,0,0,0,0|1,0,1]=3 30 B7R0.16 CC(C)[C@@H](O)C(=O)O P40530 [0,1,0,0,0,0|0,0,2]=3 31 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O P39382 [0,1,0,0,0,0|1,0,2]=4 32 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O Q70089 [0,1,0,0,0,0|1,0,2]=4 33 B7R1.2 CC1=CC(N)=NN1 G-7311 [0,0,0,1,0,0|3,0,0]=4 34 B7R1.2 CC1=CSC(N)=C1 G-5634 [0,0,0,1,0,0|1,1,1]=4 35 B7R1.2 CC1=NC(=O)NN1 O30153 [0,0,0,1,0,0|3,0,0]=4 36 B7R1.2 CC1=NC(C)CO1 M15289 [0,0,0,1,0,0|2,0,1]=4 37 B7R1.2 CC1=NNC(Br)=C1 O34436 [0,0,0,1,0,0|3,0,0]=4 38 B7R1.2 CC1=NNC(Cl)=C1 G-5332 [0,0,0,1,0,0|3,0,0]=4 39 B7R1.2 CC1=NNC(O)=C1 I-9200 [0,0,0,1,0,0|2,0,0]=3 40 B7R1.2 CC1CNC(=O)C1 L13710 [0,0,0,1,0,0|1,0,2]=4 41 B7R1.2 CC1CNC(=O)O1 P51279 [0,0,0,1,0,0|2,0,1]=4 42 B7R1.2 C[C@@H]1CNC(=O)C1 L22301 [0,0,0,1,0,0|1,0,2]=4 43 B7R1.2 C[C@@H]1CNC(=O)O1 P42625 [0,0,0,1,0,0|2,0,1]=4 44 B7R1.2 C[C@H]1CNC(=O)C1 L18264 [0,0,0,1,0,0|1,0,2]=4 45 B7R1.2 N=C1CSC(=O)N1 L20743 [0,0,0,1,0,0|2,1,0]=4 46 B7R1.2 NC1=CC(=O)CC1 O29931 [0,0,0,1,0,0|2,0,0]=3 47 B7R1.2 O=C1C=C(Br)CN1 H-8451 [0,0,0,1,0,0|2,0,0]=3 48 B7R1.2 O=C1CCC(=O)C1 I-9301 [0,0,0,1,0,0|2,0,1]=4 49 B7R1.2 O=C1CNC(=O)C1 L18257 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.2 OC1=NSC(Cl)=C1 K10877 [0,0,0,1,0,0|3,0,0]=4 51 B7R1.12 CC1CC1C(=O)Cl O31612 [0,0,0,1,0,0|1,0,2]=4 52 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P44059 [0,0,0,1,0,0|0,0,2]=3 53 B7R1.12 C[C@@H]1C[C@H]1C(=O)O L22375 [0,0,0,1,0,0|0,0,2]=3 54 B7R1.12 C[C@H]1C[C@H]1C(=O)O O33127 [0,0,0,1,0,0|0,0,2]=3 55 B7R1.12 O=C(O)C1CC1F Q52394 [0,0,0,1,0,0|1,0,2]=4 56 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F K10809 [0,0,0,1,0,0|1,0,2]=4 57 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33126 [0,0,0,1,0,0|1,0,2]=4 58 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33327 [0,0,0,1,0,0|1,0,2]=4 59 B7R1.12 O=C(O)[C@H]1C[C@@H]1F O33229 [0,0,0,1,0,0|1,0,2]=4 60 B7R1.12 O=C(O)[C@H]1C[C@H]1F K10802 [0,0,0,1,0,0|1,0,2]=4 61 B7R1.16 CC1(C)CC(=O)C1 L21874 [0,0,0,1,0,0|1,0,2]=4 62 B7R1.16 CC1(C)CC(=O)N1 P45568 [0,0,0,1,0,0|1,0,2]=4 63 B7R1.20 O=C(Cl)CC1CC1 Q54347 [0,0,0,1,0,0|1,0,2]=4 64 B7R1.20 O=C(O)CC1CC1 F-4292 [0,0,0,1,0,0|0,0,2]=3 65 B7R1.20 O=C(O)CC1CO1 P45743 [0,0,0,1,0,0|1,0,2]=4 66 B5R0.5 C=C(C)B(O)O P51397 [0,0,0,0,1,0|1,0,2]=4 67 B5R0.5 C=C(F)C(=O)O P51526 [0,0,0,0,1,0|1,0,1]=3 68 B5R0.5 CC(C)S(N)=O O29745 [0,0,0,0,1,0|2,0,1]=4 69 B5R0.5 CC(N)C(N)=O P37963 [0,0,0,0,1,0|2,0,1]=4 70 B5R0.5 CC(O)C(N)=O P39940 [0,0,0,0,1,0|2,0,1]=4 71 B5R0.5 C[C@@H](O)C(N)=O P37171 [0,0,0,0,1,0|2,0,1]=4 72 B7R0.6 CC(C)=CCC(=O)O P43260 [0,0,0,0,0,1|0,0,0]=1 73 B7R0.6 CC(C)OCC(=O)O P38749 [0,0,0,0,0,1|0,0,2]=3 74 B4R0.1 CC(C)NO O30196 [2,0,0,0,0,0|1,0,1]=4 75 B4R0.2 COCC=O F-4461 [2,0,0,0,0,0|1,0,1]=4 76 B6R0.1 CCNC(=O)CO O31312 [1,1,0,0,0,0|1,0,1]=4 77 B6R0.3 C=C[C@@H](C)C(=O)O H-8974 [1,1,0,0,0,0|0,0,2]=4 78 B6R0.3 C=C[C@H](C)C(=O)O H-8989 [1,1,0,0,0,0|0,0,2]=4 79 B6R0.3 CC[C@@H](Br)C(=O)O P45858 [1,1,0,0,0,0|0,0,2]=4 80 B6R0.3 CC[C@@H](O)C(=O)O P40022 [1,1,0,0,0,0|0,0,2]=4 81 B6R0.3 CC[C@H](Br)C(=O)O P45751 [1,1,0,0,0,0|0,0,2]=4 82 B6R0.3 CC[C@H](O)C(=O)O P38746 [1,1,0,0,0,0|0,0,2]=4 83 B6R0.3 CO[C@@H](C)C(=O)O I-9183 [1,1,0,0,0,0|1,0,1]=4 84 B6R0.3 C\C=C(/F)C(=O)O F-4310 [1,1,0,0,0,0|0,0,0]=2 85 B6R0.3 C\C=C(\C)B(O)O O32816 [1,1,0,0,0,0|1,0,1]=4 86 B6R0.4 CCNCC(=O)O P37534 [1,1,0,0,0,0|0,0,2]=4 87 B6R0.4 CNCCC(=O)O P36779 [1,1,0,0,0,0|0,0,2]=4 88 B6R0.4 CNCCC(=O)O P39205 [1,1,0,0,0,0|0,0,2]=4 89 B6R0.4 O=C(O)\C=C\CBr P41388 [1,1,0,0,0,0|0,0,0]=2 90 B6R0.4 O=CNCC(=O)O P39379 [1,1,0,0,0,0|1,0,1]=4 91 B6R0.7 CC(C)(N)C(N)=O P40473 [0,1,0,0,1,0|1,0,1]=4 92 B8R0.9 CCC(C)OCC(=O)O P34749 [0,1,0,0,0,1|0,0,2]=4 93 B8R0.9 COC(=O)CNC(C)=O P42621 [0,1,0,0,0,1|1,0,1]=4 94 B8R0.9 NCC(=O)CCC(=O)O P37517 [0,1,0,0,0,1|1,0,1]=4 95 B8R0.23 C=C(C)CC(N)C(=O)O P39089 [0,1,0,0,0,1|0,0,2]=4 96 B8R0.23 C=C(C)C[C@@H](N)C(=O)O O28738 [0,1,0,0,0,1|0,0,2]=4 97 B8R0.23 C=C(C)C[C@H](N)C(=O)O O28733 [0,1,0,0,0,1|0,0,2]=4 98 B8R0.23 CC(=O)N(C)CC(=O)O P37214 [0,1,0,0,0,1|1,0,1]=4 99 B8R0.23 CC(=O)NC(=O)C(N)=O S86732 [0,1,0,0,0,1|2,0,0]=4 100 B8R0.23 CC(C)C(N)CC(=O)O M22680 [0,1,0,0,0,1|0,0,2]=4 101 B8R0.23 CC(C)C[C@@H](O)C(=O)O P39959 [0,1,0,0,0,1|0,0,2]=4 102 B8R0.23 CC(C)N(C)CC(=O)O P42706 [0,1,0,0,0,1|0,0,2]=4 103 B8R0.23 CC(C)[C@@H](N)CC(=O)O P38250 [0,1,0,0,0,1|0,0,2]=4 104 B8R0.23 CC(C)[C@@H](N)CC(=O)O Q68993 [0,1,0,0,0,1|0,0,2]=4 105 B8R0.23 CC(C)[C@H](N)CC(=O)O P36212 [0,1,0,0,0,1|0,0,2]=4 106 B8R0.23 CC(C)[C@H](N)CC(=O)O Q68999 [0,1,0,0,0,1|0,0,2]=4 107 B8R0.23 CC(C)\C=C(/F)C(=O)O F-4311 [0,1,0,0,0,1|0,0,1]=3 108 B8R0.23 CN(C)C[C@H](N)C(=O)O P43074 [0,1,0,0,0,1|1,0,1]=4 109 B8R0.29 CC(C)(C)NCC(=O)O P37230 [0,1,0,0,0,1|0,0,2]=4 110 B8R0.29 CC(C)(C)OCC(=O)O P41693 [0,1,0,0,0,1|0,0,2]=4 111 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O O28696 [0,2,0,0,0,0|0,0,2]=4 112 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O O28455 [0,2,0,0,0,0|0,0,2]=4 113 B8R0.16 CCN(CC)CC(=O)O P40850 [0,2,0,0,0,0|1,0,1]=4 114 B8R0.34 COC(C)(C)CC(=O)O O32626 [0,2,0,0,0,0|0,0,2]=4 115 B8R0.27 CC(C)(C)C(O)C(=O)O M23224 [0,2,0,0,0,0|0,0,2]=4 116 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O P39602 [0,2,0,0,0,0|0,0,2]=4 117 B8R0.27 CC(C)(C)[C@H](O)C(=O)O P39705 [0,2,0,0,0,0|0,0,2]=4 118 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O Q68942 [0,2,0,0,0,0|0,0,2]=4 119 B8R0.27 CC(C)(O)[C@H](N)C(=O)O Q68916 [0,2,0,0,0,0|0,0,2]=4 120 B8R0.27 CC(C)(S)C(N)C(=O)O Q68947 [0,2,0,0,0,0|0,0,2]=4 121 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O I-9879 [0,2,0,0,0,0|0,0,2]=4 122 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Q68945 [0,2,0,0,0,0|0,0,2]=4 123 B8R0.27 CC(C)(S)[C@H](N)C(=O)O Q68949 [0,2,0,0,0,0|0,0,2]=4 124 B8R0.18 CC(C)[C@@H](CN)C(=O)O Q69066 [0,2,0,0,0,0|0,0,2]=4 125 B8R0.18 CC(C)[C@@H](CN)C(=O)O Q69069 [0,2,0,0,0,0|0,0,2]=4 126 B8R0.18 CC(C)[C@H](CN)C(=O)O Q69070 [0,2,0,0,0,0|0,0,2]=4 127 B8R0.18 CC(C)[C@H](CN)C(=O)O Q69073 [0,2,0,0,0,0|0,0,2]=4 128 B8R0.18 CNC(C(=O)O)C(C)C P39309 [0,2,0,0,0,0|0,0,2]=4 129 B8R0.18 CN[C@H](C(=O)O)C(C)C P40211 [0,2,0,0,0,0|0,0,2]=4 130 B8R0.37 CC(C)C(C)(O)C(=O)O Q69152 [0,2,0,0,0,0|0,0,2]=4 131 B8R0.37 CC(C)[C@@](C)(N)C(=O)O Q68939 [0,2,0,0,0,0|0,0,2]=4 132 B8R0.37 CC(C)[C@](C)(N)C(=O)O Q68936 [0,2,0,0,0,0|0,0,2]=4 133 B8R0.37 CN(C)C(C)(C)C(=O)O P34770 [0,2,0,0,0,0|1,0,1]=4 134 B6R1.2 BrC1=CC=CO1 P37236 [1,0,0,1,0,0|1,0,1]=4 135 B6R1.2 CC1=CNC=C1 L13609 [1,0,0,1,0,0|1,0,1]=4 136 B6R1.2 CC1=COC=C1 10706 [1,0,0,1,0,0|0,0,1]=3 137 B6R1.2 CC1=COC=N1 M15472 [1,0,0,1,0,0|1,0,1]=4 138 B6R1.2 NC1=NOC=C1 C-3347 [1,0,0,1,0,0|2,0,0]=4 139 B6R1.2 O=C1C=CSN1 K10928 [1,0,0,1,0,0|2,0,0]=4 140 B6R1.2 OC1C=CCC1 Q62924 [1,0,0,1,0,0|1,0,1]=4 141 B6R1.5 CC1CC(=O)C1 L18001 [1,0,0,1,0,0|0,0,2]=4 142 B6R1.5 CN1CC(=O)C1 L18430 [1,0,0,1,0,0|1,0,1]=4 143 B6R1.5 CN1CC(=O)C1 P49738 [1,0,0,1,0,0|1,0,1]=4 144 B6R1.4 CC1CCC1=O P47956 [0,0,0,1,1,0|1,0,1]=4 145 B8R1.3 CC1=NC=C(O)C=N1 O33295 [0,0,0,1,0,1|2,0,0]=4 146 B8R1.3 CC1=NN=C(O)C=C1 C-2282 [0,0,0,1,0,1|2,0,0]=4 147 B8R1.3 CC1=NNC(=O)C=C1 I-9165 [0,0,0,1,0,1|2,0,0]=4 148 B8R1.3 CC1C=CC(=O)CC1 K12331 [0,0,0,1,0,1|1,0,1]=4 149 B8R1.3 O=C1CCC(=O)OC1 K12424 [0,0,0,1,0,1|1,0,1]=4 150 B8R1.20 CC1CC1CC(=O)O O29360 [0,0,0,1,0,1|0,0,2]=4 151 B8R1.23 C=C1CC(C(=O)O)C1 D-2502 [0,0,0,1,0,1|0,0,2]=4 152 B8R1.23 CC1CC(C(=O)O)C1 L14063 [0,0,0,1,0,1|0,0,2]=4 153 B8R1.23 CN1CC(C(=O)O)C1 C-2243 [0,0,0,1,0,1|1,0,1]=4 154 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 G-6829 [0,0,0,1,0,1|0,0,2]=4 155 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 G-6830 [0,0,0,1,0,1|0,0,2]=4 156 B8R1.23 O=C1CC(C(=O)O)C1 D-2503 [0,0,0,1,0,1|1,0,1]=4 157 B8R1.23 O=C1CC(C(=O)O)N1 P34768 [0,0,0,1,0,1|1,0,1]=4 158 B8R1.23 O=C1CC(C(=O)O)O1 P44894 [0,0,0,1,0,1|1,0,1]=4 159 B8R1.23 O=C1C[C@@H](C(=O)O)N1 I-9933 [0,0,0,1,0,1|1,0,1]=4 160 B8R1.23 O=C1C[C@H](C(=O)O)N1 I-9634 [0,0,0,1,0,1|1,0,1]=4 161 B8R1.35 O=C(O)CCC1CC1 P37405 [0,0,0,1,0,1|0,0,2]=4 162 B8R1.35 O=C(O)\C=C\C1CC1 L14104 [0,0,0,1,0,1|0,0,1]=3 163 B8R1.1 CC1=CC(C=O)=CS1 L14285 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.1 CC1=CC(CBr)=NO1 O31840 [0,1,0,1,0,0|2,0,0]=4 165 B8R1.1 CC1=CSC(C=O)=C1 Q67410 [0,1,0,1,0,0|0,1,1]=4 166 B8R1.1 CC1=CSC(CO)=C1 Q68378 [0,1,0,1,0,0|0,1,1]=4 167 B8R1.1 CC1=NOC(CBr)=C1 Q69999 [0,1,0,1,0,0|2,0,0]=4 168 B8R1.1 CCC1=NOC(N)=C1 H-8929 [0,1,0,1,0,0|2,0,0]=4 169 B8R1.1 NCC1COC(=O)N1 L13942 [0,1,0,1,0,0|1,0,1]=4 170 B8R1.1 O=C1CC(CO)CO1 H-8701 [0,1,0,1,0,0|0,0,2]=4 171 B8R1.1 O=C1N[C@@H](CI)CO1 10034 [0,1,0,1,0,0|1,0,1]=4 172 B8R1.1 O=C1N[C@@H](CO)CO1 10001 [0,1,0,1,0,0|1,0,1]=4 173 B8R1.1 O=C1N[C@H](CO)CO1 10026 [0,1,0,1,0,0|1,0,1]=4 174 B8R1.4 CC1=CC(=O)NN=C1 Q55625 [0,1,0,1,0,0|1,0,1]=4 175 B8R1.4 CC1=CCCC(=O)C1 O32064 [0,1,0,1,0,0|1,0,1]=4 176 B8R1.4 CC1=CN=CC(O)=C1 O30725 [0,1,0,1,0,0|1,0,1]=4 177 B8R1.4 CN1CCOC(=O)C1 Q54674 [0,1,0,1,0,0|1,0,1]=4 178 B8R1.4 NC1=CC(=O)COC1 O33523 [0,1,0,1,0,0|1,0,0]=3 179 B8R1.4 O=C1CCOC(=O)C1 H-8796 [0,1,0,1,0,0|1,0,1]=4 180 B8R1.4 O=C1COCC(=O)C1 G-6233 [0,1,0,1,0,0|1,0,1]=4 181 B8R1.4 O=C1COCC(=O)N1 P38066 [0,1,0,1,0,0|2,0,0]=4 182 B8R1.18 CC1=CC(I)=NN1C Q61743 [0,1,0,1,0,0|2,0,0]=4 183 B8R1.18 CC1=CC(N)=NN1C Q61545 [0,1,0,1,0,0|2,0,0]=4 184 B8R1.18 CN1NC(=O)C=C1N F-4885 [0,1,0,1,0,0|2,0,0]=4 185 B8R1.31 CC1CCC1C(=O)O P45629 [0,1,0,1,0,0|0,0,2]=4 186 B8R1.31 CC1NCC1C(=O)O L22133 [0,1,0,1,0,0|0,0,2]=4 187 B8R1.31 CN1CCC1C(=O)O P49637 [0,1,0,1,0,0|1,0,1]=4 188 B8R1.31 CN1CC[C@@H]1C(=O)O H-8820 [0,1,0,1,0,0|1,0,1]=4 189 B8R1.31 CN1CC[C@H]1C(=O)O H-8821 [0,1,0,1,0,0|1,0,1]=4 190 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O L14485 [0,1,0,1,0,0|0,0,2]=4 191 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O P50093 [0,1,0,1,0,0|0,0,2]=4 192 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O K13449 [0,1,0,1,0,0|0,0,2]=4 193 B8R1.31 O=C(O)C1CNC1=O P47917 [0,1,0,1,0,0|1,0,1]=4 194 B8R1.31 O=C(O)[C@@H]1CNC1=O P46680 [0,1,0,1,0,0|1,0,1]=4 195 B8R1.31 O=C(O)[C@H]1CNC1=O P46158 [0,1,0,1,0,0|1,0,1]=4 196 B8R1.34 CC(=O)C=C1CNC1 P46729 [0,1,0,1,0,0|1,0,0]=3 197 B8R1.34 O=C(O)C=C1CCC1 G-6914 [0,1,0,1,0,0|0,0,0]=2 198 B8R1.34 O=C(O)C=C1CNC1 P45911 [0,1,0,1,0,0|0,0,0]=2 199 B8R1.34 O=C(O)CC1CCC1 P44572 [0,1,0,1,0,0|0,0,2]=4 200 B8R1.34 O=C(O)CC1CCN1 P44826 [0,1,0,1,0,0|0,0,2]=4 201 B8R1.34 O=C(O)CC1CCO1 F-4762 [0,1,0,1,0,0|0,0,2]=4 202 B8R1.34 O=C(O)CC1CNC1 G-7532 [0,1,0,1,0,0|0,0,2]=4 203 B8R1.34 O=C(O)CC1CNC1 M22650 [0,1,0,1,0,0|0,0,2]=4 204 B8R1.34 O=C(O)CC1CNC1 P46867 [0,1,0,1,0,0|0,0,2]=4 205 B8R1.34 O=C(O)CC1COC1 F-4181 [0,1,0,1,0,0|0,0,2]=4 206 B8R1.34 O=C(O)CN1CCC1 H-8105 [0,1,0,1,0,0|1,0,1]=4 207 B8R1.34 O=C(O)C[C@@H]1CCO1 Q56144 [0,1,0,1,0,0|0,0,2]=4 208 B8R1.34 O=C(O)C[C@H]1CCO1 Q56143 [0,1,0,1,0,0|0,0,2]=4 209 B8R1.34 O=[N+]([O-])C=C1COC1 C-3521 [0,1,0,1,0,0|1,0,1]=4 210 B8R1.40 COC(=O)C=C1CC1 H-8420 [0,1,0,1,0,0|0,0,0]=2 211 B8R1.40 COC(=O)CC1CC1 G-7131 [0,1,0,1,0,0|0,0,2]=4 212 B8R1.43 NCC1CC1C(=O)O Q52566 [0,1,0,1,0,0|0,0,2]=4 213 B8R1.50 CC1=C(O)COC1=O O32297 [0,1,0,1,0,0|1,0,0]=3 214 B8R1.50 CC1=NOC(C)=C1Br C-3323 [0,1,0,1,0,0|2,0,0]=4 215 B8R1.50 CN1CCC(=O)C1=O Q59432 [0,1,0,1,0,0|2,0,0]=4 216 B8R1.50 O=C1CCC(O)=C1F Q54658 [0,1,0,1,0,0|2,0,0]=4 217 B8R1.50 O=C1CCC(O)=C1I Q54659 [0,1,0,1,0,0|2,0,0]=4 218 B8R1.54 NC(C(=O)O)C1CC1 O27895 [0,1,0,1,0,0|0,0,2]=4 219 B8R1.54 N[C@@H](C(=O)O)C1CC1 G-5951 [0,1,0,1,0,0|0,0,2]=4 220 B8R1.54 N[C@H](C(=O)O)C1CC1 O28968 [0,1,0,1,0,0|0,0,2]=4 221 B8R2.66 O=C(O)C12CC1C2 H-8592 [0,0,0,2,0,0|0,0,2]=4 222 B8R0.28 CC(=O)\C=C\CC(C)C O31440 [0,0,0,0,0,2|1,0,1]=4 223 B8R0.28 CC(C)CNCC(=O)O P38861 [0,0,0,0,0,2|0,0,2]=4 224 B8R0.28 CN(C)C\C=C\C(=O)O K12319 [0,0,0,0,0,2|1,0,0]=3