0 B9R1.8 BrCCC1=CC=CC=C1 AK-54085 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.8 C1=C(C=CC=C1)CON AK-49180 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.8 C1=C(CCN)N=CC=C1 AK-73075 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.8 C1=C(CNN)C=CC=C1 AK-72938 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.8 C1=C(N=CC=C1)COC AK-32294 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.8 C1=CC=NN=C1OCC AK-50551 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.8 CCCC1=CC=NC=C1 AK109267 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.8 CCCC1=NC=CN=C1 AK305719 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.8 CCNC1=CC=CN=C1 AK126739 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.8 CCNC1=NC=CN=C1 AK159718 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.8 CCOC1=NC=CC=C1 AK-88755 [0,0,0,0,0,0|1,0,0]=1 11 B9R1.8 CCOC1=NN=CC=C1 AK-50365 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.8 CNCC1=CC=CN=C1 AK-77094 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.8 CNCC1=CC=NC=C1 AK-36140 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.8 CNCC1=NC=CC=C1 AK-82805 [0,0,0,0,0,0|1,0,0]=1 15 B9R1.8 CNCC1=NC=CC=N1 AK-26868 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.8 CNCC1=NC=CN=C1 AK-32984 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.8 CNNC1=CC=CC=C1 AK119038 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.8 N#CCC1=CC=CN=C1 AK-44402 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.8 NCCC1=CC=CN=C1 AK-45879 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.8 NNCC1=CC=CN=C1 AK-50063 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.8 NOCC1=CC=CC=C1 AK-82317 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.8 OCCC1=CN=CN=C1 AK-32465 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.8 OCCC1=NC=CN=C1 AK-45393 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.8 ONCC1=CC=CC=C1 AK-49662 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.8 ONCC1=CC=CC=C1 AK110567 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.2 BrCC1=CC=CN=C1 AK-44682 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.2 BrCC1=CC=NC=C1 AK-40271 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.2 BrCC1=NC=CC=C1 AK-78919 [1,0,0,0,0,0|1,0,0]=2 29 B8R1.2 BrCC1=NC=CN=C1 AK143784 [1,0,0,0,0,0|2,0,0]=3 30 B8R1.2 BrCC1=NC=NC=C1 AK109329 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.2 BrCC1=NN=CC=C1 AK-77169 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.2 C#CC1=NC=CN=C1 AK185335 [1,0,0,0,0,0|1,0,2]=4 33 B8R1.2 C(#C)C1=NC=CC=N1 AK-34927 [1,0,0,0,0,0|1,0,2]=4 34 B8R1.2 C1=C(N=CC=C1)C#C AK-39840 [1,0,0,0,0,0|0,0,2]=3 35 B8R1.2 C1=C(N=CC=N1)CN AK-23965 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.2 C1=CN=CC=C1OC AK-54547 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.2 C1=NC=C(N=C1)CO AK-45812 [1,0,0,0,0,0|2,0,0]=3 38 B8R1.2 CC[N+]1=CC=CC=C1 AK607939 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.2 CNC1=CC=CN=C1 AK-72893 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.2 CNC1=NC=CC=N1 AK-27708 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.2 COC1=CC=CN=C1 AK-76565 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.2 COC1=CC=CN=N1 AK-28954 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.2 CSC1=NC=CN=C1 AK-41535 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.2 CSC1=NC=CN=N1 AK-48101 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.2 ClCC1=NC=CC=N1 AK-29240 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.2 ICC1=CC=CC=C1 AK-54444 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.2 N#CC1=CC=CC=C1 AK-49389 [1,0,0,0,0,0|2,0,1]=4 48 B8R1.2 N#CC1=NC=CC=C1 AK-76752 [1,0,0,0,0,0|1,0,1]=3 49 B8R1.2 N#CC1=NC=CN=C1 AK-47995 [1,0,0,0,0,0|2,0,1]=4 50 B8R1.2 N1=C(N=CC=C1)CN AK-23656 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.2 N1=CN=C(C=C1)C=O AK-23925 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.2 NCC1=CC=NC=C1 AK-25866 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.2 NCC1=CC=NC=C1 AK-50006 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.2 NCC1=NC=CC=N1 AK-73144 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.2 NCC1=NC=CN=C1 AK-50813 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.2 NCC1=NC=NC=C1 AK-23966 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.2 NNC1=CC=CC=C1 AK114548 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.2 NNC1=CC=CN=N1 AK110987 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.2 NNC1=NC=CC=C1 AK-26026 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.2 NNC1=NC=CC=N1 AK-81374 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.2 NNC1=NC=CN=C1 AK-44383 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.2 NOC1=CC=CC=C1 AK-77703 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.2 OCC1=CC=CN=C1 AK-46173 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.2 OCC1=CC=NC=C1 AK-44706 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.2 OCC1=CC=NC=C1 AK175384 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.2 OCC1=NC=CC=C1 AK-53905 [1,0,0,0,0,0|1,0,0]=2 67 B8R1.2 OCC1=NC=CC=N1 AK-25156 [1,0,0,0,0,0|2,0,0]=3 68 B8R1.2 OCC1=NC=NC=C1 AK-31889 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.2 ONC1=CC=CC=C1 AK139965 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.1 BrC1=CC=C(C=C1)CC=O AK-25692 [0,1,0,0,0,0|2,0,1]=4 71 B10R1.1 BrC1=CN=C(C=C1)CC#N AK-34627 [0,1,0,0,0,0|1,0,1]=3 72 B10R1.1 BrC1=CN=C(N=C1)CC#N AK-25208 [0,1,0,0,0,0|2,0,1]=4 73 B10R1.1 C1=C(C=CC(=C1)Br)CCO AK-35260 [0,1,0,0,0,0|2,0,0]=3 74 B10R1.1 C1=C(C=CC(=C1)Br)CNC AK-16714 [0,1,0,0,0,0|2,0,0]=3 75 B10R1.1 C1=C(C=CC(=C1)Br)OCC AK-47317 [0,1,0,0,0,0|2,0,0]=3 76 B10R1.1 C1=C(C=CC(=C1)F)CC#N AK-46633 [0,1,0,0,0,0|2,0,1]=4 77 B10R1.1 C1=C(C=CC(=C1)O)CCN AK-47332 [0,1,0,0,0,0|2,0,0]=3 78 B10R1.1 C1=C(N=CC(=C1)Br)OCC AK-32436 [0,1,0,0,0,0|1,0,0]=2 79 B10R1.1 C1=CC(=CC=C1CC#N)C AK-46578 [0,1,0,0,0,0|2,0,1]=4 80 B10R1.1 C1=CC(=CC=C1CCO)I AK-40186 [0,1,0,0,0,0|2,0,0]=3 81 B10R1.1 C1=CC(=CC=C1CCO)O AK-35340 [0,1,0,0,0,0|2,0,0]=3 82 B10R1.1 C1=CC(=CC=C1CNC)Cl AK-16704 [0,1,0,0,0,0|2,0,0]=3 83 B10R1.1 C1=CC(=NN=C1OCC)N AK-24902 [0,1,0,0,0,0|2,0,0]=3 84 B10R1.1 CC1=CC=C(CCN)C=C1 AK-49684 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.1 CCCC1=CC=C(Br)C=C1 AK-49955 [0,1,0,0,0,0|1,0,0]=2 86 B10R1.1 CCOC1=CC=C(Cl)N=N1 AK-53475 [0,1,0,0,0,0|2,0,0]=3 87 B10R1.1 CCOC1=CC=C(I)C=C1 AK-46446 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.1 CCOC1=CN=C(Br)C=C1 AK143369 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.1 CCOC1=CN=C(Cl)C=C1 AK-88024 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.1 CCOC1=CN=C(N)C=N1 AK-24225 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.1 CCOC1=NC=C(Br)C=N1 AK-83464 [0,1,0,0,0,0|2,0,0]=3 92 B10R1.1 CNCC1=CC=C(N)C=C1 AK-78884 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.1 ClC1=CC=C(CCBr)C=C1 AK-35996 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.1 ClC1=CC=C(CCN)C=C1 AK-72548 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.1 ClC1=CC=C(CCO)C=C1 AK-86505 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.1 ClC1=CN=C(CC#N)C=C1 AK-78582 [0,1,0,0,0,0|1,0,1]=3 97 B10R1.1 FC1=CC=C(C=C1)CCBr AK-42361 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.1 FC1=CC=C(C=C1)NCC AK113245 [0,1,0,0,0,0|2,0,0]=3 99 B10R1.1 FC1=CC=C(CCO)C=C1 AK-51236 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.1 IC1=CN=C(OCC)C=C1 AK144123 [0,1,0,0,0,0|1,0,0]=2 101 B10R1.1 N#CCC1=CC=C(I)C=C1 AK121967 [0,1,0,0,0,0|2,0,1]=4 102 B10R1.1 N#CCC1=CC=C(O)C=C1 AK-33252 [0,1,0,0,0,0|2,0,1]=4 103 B10R1.1 NC1=CC=C(CC#N)C=C1 AK100092 [0,1,0,0,0,0|2,0,1]=4 104 B10R1.1 NC1=CC=C(CCO)C=C1 AK-47701 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.1 NC1=CC=C(COC)C=C1 AK-78891 [0,1,0,0,0,0|2,0,0]=3 106 B10R1.1 NC1=NC=C(OCC)C=C1 AK-54494 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.1 NCCC1=CC=C(Br)C=C1 AK-50627 [0,1,0,0,0,0|2,0,0]=3 108 B10R1.1 NCCC1=CC=C(N)C=C1 AK-45820 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.1 NNCC1=CC=C(Cl)C=C1 AK132927 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.1 NNCC1=CC=C(F)C=C1 AK128817 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.1 NOCC1=CC=C(F)C=C1 AK-86671 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.1 OC1=CC=C(CCBr)C=C1 AK-59257 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.1 OC1=CC=C(CCC)C=C1 AK164480 [0,1,0,0,0,0|1,0,0]=2 114 B10R1.1 OC1=CC=C(COC)C=C1 AK-42631 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.1 OC1=CC=C(OCC)C=C1 AK163223 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.1 OCCC1=CC=C(C)N=C1 AK-28132 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.4 BrC1=CC=CC=C1CCO AK-70908 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.4 C1=C(C(=CC=C1)CC#N)Br AK-45669 [0,1,0,0,0,0|2,0,1]=4 119 B10R1.4 CC1=CC=CC=C1CCO AK117334 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.4 CC1=CC=CC=C1CNC AK-89673 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.4 CCOC1=C(N)C=CN=C1 AK100670 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.4 CCOC1=NC=CC=C1Br AK-45982 [0,1,0,0,0,0|1,0,0]=2 123 B10R1.4 CNCC1=CC=CC=C1Br AK-16712 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.4 CNCC1=CC=CC=C1F AK-16716 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.4 COCC1=NC=CN=C1Cl AK-52707 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.4 ClC1=CC=CC=C1CCO AK-45697 [0,1,0,0,0,0|2,0,0]=3 127 B10R1.4 FC1=CC=CC=C1CCN AK-98141 [0,1,0,0,0,0|2,0,0]=3 128 B10R1.4 N#CCC1=CC=CC=C1F AK-48152 [0,1,0,0,0,0|2,0,1]=4 129 B10R1.4 N#CCC1=CC=CC=C1N AK-88479 [0,1,0,0,0,0|2,0,1]=4 130 B10R1.4 N#CCC1=NC=CC=C1Br AK131427 [0,1,0,0,0,0|1,0,1]=3 131 B10R1.4 N#CCC1=NC=CC=C1F AK131439 [0,1,0,0,0,0|1,0,1]=3 132 B10R1.4 N#CCC1=NC=NC=C1Cl AK141801 [0,1,0,0,0,0|2,0,1]=4 133 B10R1.4 NC1=C(OCC)C=CN=C1 AK-59659 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.4 NC1=CC=CC=C1CCN AK-88349 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.4 NC1=NC=CN=C1NCC AK-23940 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.4 NC1=NC=CN=C1OCC AK-23934 [0,1,0,0,0,0|2,0,0]=3 137 B10R1.4 NCCC1=C(Cl)C=CC=C1 AK-57465 [0,1,0,0,0,0|2,0,0]=3 138 B10R1.4 NCCC1=CC=CC=C1Br AK-47292 [0,1,0,0,0,0|2,0,0]=3 139 B10R1.4 NNCC1=CC=CC=C1F AK-35444 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.4 NOCC1=CC=CC=C1F AK-69176 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.4 O=C1C(OCC)=CC=CN1 AK130647 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.4 OC1=CC=CC=C1CCN AK114741 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.4 OC1=CC=CC=C1COC AK151421 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.4 OC1=CC=CC=C1OCC AK-94233 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.4 OCCC1=CC=CC=C1I AK149280 [0,1,0,0,0,0|2,0,0]=3 146 B10R1.4 OCCC1=CC=CC=C1N AK-35531 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.10 BrC1=CC(CCO)=CC=C1 AK-40057 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.10 BrCCC1=CC(Br)=CC=C1 AK142066 [0,1,0,0,0,0|2,0,0]=3 149 B10R1.10 C1=C(C=CC=C1Cl)CCO AK-46667 [0,1,0,0,0,0|2,0,0]=3 150 B10R1.10 C1=C(C=CC=C1F)CNC AK-16717 [0,1,0,0,0,0|2,0,0]=3 151 B10R1.10 CC1=CC(CCCl)=CC=C1 AK162876 [0,1,0,0,0,0|2,0,0]=3 152 B10R1.10 CC1=CC(CNC)=CC=C1 AK-89676 [0,1,0,0,0,0|2,0,0]=3 153 B10R1.10 CC1=CC=CC(CCO)=C1 AK-87226 [0,1,0,0,0,0|2,0,0]=3 154 B10R1.10 CCNC1=NC(Cl)=NC=C1 AK-53561 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.10 CCOC1=CC(Br)=NC=C1 AK146932 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.10 CCOC1=CC(Cl)=NC=C1 AK114104 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.10 CCOC1=CC(F)=CC=C1 AK-61826 [0,1,0,0,0,0|2,0,0]=3 158 B10R1.10 CCOC1=CC=CC(Br)=C1 AK-44617 [0,1,0,0,0,0|2,0,0]=3 159 B10R1.10 CCOC1=CN=CC(N)=C1 AK100109 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.10 CCOC1=NC=CC(Br)=C1 AK129551 [0,1,0,0,0,0|1,0,0]=2 161 B10R1.10 CCOC1=NC=NC(C)=C1 AK-35271 [0,1,0,0,0,0|2,0,0]=3 162 B10R1.10 CNCC1=CC(=CN=C1)Br AK-50635 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.10 CNCC1=CC(Cl)=CC=C1 AK-76864 [0,1,0,0,0,0|2,0,0]=3 164 B10R1.10 CNCC1=CC=CC(Br)=C1 AK-16713 [0,1,0,0,0,0|2,0,0]=3 165 B10R1.10 COCC1=NC(Cl)=NC=C1 AK-52710 [0,1,0,0,0,0|2,0,0]=3 166 B10R1.10 FC1=NC=CC(OCC)=C1 AK-64190 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.10 N#CCC1=CC=CC(F)=C1 AK-27132 [0,1,0,0,0,0|2,0,1]=4 168 B10R1.10 N#CCC1=CC=CC(N)=C1 AK-76735 [0,1,0,0,0,0|2,0,1]=4 169 B10R1.10 NC1=CC(=NC=C1)NCC AK-47602 [0,1,0,0,0,0|1,0,0]=2 170 B10R1.10 NC1=CC=CC(CNC)=C1 AK-93009 [0,1,0,0,0,0|2,0,0]=3 171 B10R1.10 NCCC1=CC=CC(Br)=C1 AK-44011 [0,1,0,0,0,0|2,0,0]=3 172 B10R1.10 NCCC1=CC=CC(Cl)=C1 AK-57464 [0,1,0,0,0,0|2,0,0]=3 173 B10R1.10 NCCC1=CC=CC(F)=C1 AK-41691 [0,1,0,0,0,0|2,0,0]=3 174 B10R1.10 NNCC1=CC=CC(Cl)=C1 AK163398 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.10 OC1=CC=CC(CCN)=C1 AK-41280 [0,1,0,0,0,0|2,0,0]=3 176 B10R1.10 OCCC1=CC(F)=CC=C1 AK111050 [0,1,0,0,0,0|2,0,0]=3 177 B10R1.10 OCCC1=NC(Br)=CC=C1 AK-57002 [0,1,0,0,0,0|1,0,0]=2 178 B10R1.15 C1=C(C(OC)=O)N=CC=C1 AK-46574 [0,1,0,0,0,0|1,0,1]=3 179 B10R1.15 C1=NC=CN=C1C(OC)=O AK-47365 [0,1,0,0,0,0|2,0,1]=4 180 B10R1.15 CC(C1=CC=CC=C1)CN AK-67959 [0,1,0,0,0,0|2,0,0]=3 181 B10R1.15 CC[C@@H](C1=NC=CC=C1)N AK544238 [0,1,0,0,0,0|0,0,0]=1 182 B10R1.15 CC[C@H](C1=NC=CC=C1)N AK668420 [0,1,0,0,0,0|0,0,0]=1 183 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 AK-47624 [0,1,0,0,0,0|2,0,0]=3 184 B10R1.15 C[C@@H](NC)C1=CC=CC=C1 AK140531 [0,1,0,0,0,0|2,0,0]=3 185 B10R1.15 ClC(C=C)C1=CC=CC=C1 AK173991 [0,1,0,0,0,0|1,0,2]=4 186 B10R1.15 FC(C1=CC=CC=C1)CBr AK-93540 [0,1,0,0,0,0|2,0,0]=3 187 B10R1.15 NCC(C1=CC=CC=C1)=O AK-26107 [0,1,0,0,0,0|2,0,1]=4 188 B10R1.15 NCC(O)C1=NC=CC=C1 AK157200 [0,1,0,0,0,0|1,0,0]=2 189 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 AK-45230 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.15 NC[C@@H](O)C1=CC=CN=C1 AK-96401 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.15 N[C@H](C1=CC=CC=C1)CO AK-41249 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.15 O=C(C1=NC=CC=C1)CBr AK-44981 [0,1,0,0,0,0|1,0,1]=3 193 B10R1.15 O=C(C1=NC=CC=N1)OC AK-24352 [0,1,0,0,0,0|2,0,1]=4 194 B10R1.15 O=C(C1=NN=CC=C1)OC AK-68100 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.15 O=C(NC)C1=CC=CC=C1 AK323662 [0,1,0,0,0,0|2,0,1]=4 196 B10R1.15 O=C(NN)C1=NC=CC=C1 AK117449 [0,1,0,0,0,0|2,0,1]=4 197 B10R1.15 O=S(C1=CC=CC=C1)OC AK109245 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.15 OC(C1=CC=CC=C1)CBr AK-76552 [0,1,0,0,0,0|2,0,0]=3 199 B10R1.15 OC(C1=CC=CC=C1)CO AK117070 [0,1,0,0,0,0|2,0,0]=3 200 B10R1.15 OCC(=O)C1=CC=CC=C1 AK-94786 [0,1,0,0,0,0|2,0,1]=4 201 B10R1.15 OCC(N)C1=CC=CC=C1 AK-47370 [0,1,0,0,0,0|2,0,0]=3 202 B10R1.15 O[C@@H](C1=CC=CC=C1)CO AK-45210 [0,1,0,0,0,0|2,0,0]=3 203 B10R1.15 O[C@H](C1=CC=CC=C1)CO AK-33573 [0,1,0,0,0,0|2,0,0]=3 204 B10R1.15 [C@H](N)(C1=CC=CC=C1)CO AK-41260 [0,1,0,0,0,0|2,0,0]=3 205 B10R1.17 BrCCOC1=CC=CC=C1 AK-88423 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.17 C=CCOC1=CC=CC=C1 AK116728 [0,1,0,0,0,0|1,0,2]=4 207 B10R1.17 CCCC[N+]1=CC=CC=C1 AK107641 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.17 CCCC[N+]1=CC=CC=C1 AK676172 [0,1,0,0,0,0|2,0,0]=3 209 B10R1.17 CCCOC1=CC=CC=C1 AK544046 [0,1,0,0,0,0|1,0,0]=2 210 B10R1.17 CCNCC1=CC=NC=C1 AK-48167 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.17 CCNCC1=NC=CC=C1 AK-82541 [0,1,0,0,0,0|0,0,0]=1 212 B10R1.17 CNCCC1=CC=CN=C1 AK-33941 [0,1,0,0,0,0|2,0,0]=3 213 B10R1.17 CNCCC1=NC=CC=C1 AK163686 [0,1,0,0,0,0|0,0,0]=1 214 B10R1.17 ClCCOC1=CC=CC=C1 AK113619 [0,1,0,0,0,0|2,0,0]=3 215 B10R1.17 N#CCNC1=CC=CC=C1 AK109260 [0,1,0,0,0,0|2,0,1]=4 216 B10R1.17 NCCCC1=CC=NC=C1 AK-81582 [0,1,0,0,0,0|2,0,0]=3 217 B10R1.17 NCCNC1=NC=CC=N1 AK-58765 [0,1,0,0,0,0|2,0,0]=3 218 B10R1.17 NCCOC1=CC=CN=C1 AK108382 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.17 NCCOC1=CC=NC=C1 AK158871 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.17 NCCOC1=NC=CC=C1 AK-86743 [0,1,0,0,0,0|1,0,0]=2 221 B10R1.17 NOCCC1=CC=CC=C1 AK-58452 [0,1,0,0,0,0|2,0,0]=3 222 B10R1.17 O=CCCC1=CC=CC=C1 AK-41238 [0,1,0,0,0,0|1,0,1]=3 223 B10R1.17 O=CCOC1=CC=CC=C1 AK-92294 [0,1,0,0,0,0|2,0,1]=4 224 B10R1.17 O=COCC1=CC=CC=C1 AK113965 [0,1,0,0,0,0|2,0,1]=4 225 B10R1.17 OCC#CC1=CC=CC=C1 AK106192 [0,1,0,0,0,0|1,0,2]=4 226 B10R1.17 OCCCC1=CC=CC=C1 AK114527 [0,1,0,0,0,0|1,0,0]=2 227 B10R1.17 OCCCC1=CC=NC=C1 AK-73053 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.17 OCCCC1=NC=CC=C1 AK-82450 [0,1,0,0,0,0|0,0,0]=1 229 B10R1.17 OCCSC1=NC=CC=C1 AK387693 [0,1,0,0,0,0|1,0,0]=2 230 B10R1.17 [NH]CCOC1=CC=CC=C1 AK-46660 [0,1,0,0,0,0|2,0,0]=3 231 B10R1.18 C1=C(C=CN=C1)CC(C)=O AK-47657 [0,1,0,0,0,0|2,0,1]=4 232 B10R1.18 CC(C)OC1=CC=CC=C1 AK110874 [0,1,0,0,0,0|2,0,0]=3 233 B10R1.18 CC(CC1=NC=CC=C1)=O AK-32596 [0,1,0,0,0,0|0,0,1]=2 234 B10R1.18 CC(NC1=NC=CC=N1)=O AK137493 [0,1,0,0,0,0|2,0,1]=4 235 B10R1.18 CC(OC1=CC=CN=C1)C AK167273 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.18 CC(OC1=NC=CC=C1)C AK-47912 [0,1,0,0,0,0|1,0,0]=2 237 B10R1.18 C\C(C)=C/C1=CC=CC=C1 AK113914 [0,1,0,0,0,0|1,0,2]=4 238 B10R1.18 FC(F)OC1=CC=CC=C1 AK161726 [0,1,0,0,0,0|3,0,0]=4 239 B10R1.18 N=C(N)CC1=CC=CC=C1 AK-77604 [0,1,0,0,0,0|2,0,1]=4 240 B10R1.18 O=C(N)CC1=CC=CC=C1 AK-45803 [0,1,0,0,0,0|2,0,1]=4 241 B10R1.18 O=C(N)CC1=NC=CC=N1 AK133068 [0,1,0,0,0,0|2,0,1]=4 242 B10R1.18 OC(=O)CC1=CC=CC=N1 AK-45110 [0,1,0,0,0,0|1,0,1]=3 243 B10R1.18 S=C(N)NC1=NC=CC=C1 AK158972 [0,1,0,0,0,0|2,0,1]=4 244 B8R0.4 CCC\C=C\C=C\C=O AK-88482 [0,0,1,0,0,0|1,0,0]=2 245 B10R2.7 C12=C(CNC1)C=CC=C2 AK-46308 [0,0,0,1,0,0|2,0,0]=3 246 B10R2.7 C12=C(NCC1)C=CC=C2 AK-49832 [0,0,0,1,0,0|2,0,0]=3 247 B10R2.7 C12=CC=CC=C1OCO2 AK-48090 [0,0,0,1,0,0|3,0,0]=4 248 B10R2.7 C12=NC=CC=C1C=CN2 AK-26735 [0,0,0,1,0,0|1,0,2]=4 249 B10R2.7 C12=NC=CC=C1C=NN2 AK-32129 [0,0,0,1,0,0|2,0,1]=4 250 B10R2.7 C12=NC=CC=C1CCN2 AK-23969 [0,0,0,1,0,0|1,0,0]=2 251 B10R2.7 C12=NC=CC=C1CNC2 AK-27514 [0,0,0,1,0,0|1,0,0]=2 252 B10R2.7 C12=NC=CC=C1N=CO2 AK-85804 [0,0,0,1,0,0|2,0,1]=4 253 B10R2.7 C12=NC=CC=C1NN=C2 AK-30497 [0,0,0,1,0,0|2,0,1]=4 254 B10R2.7 C12=NC=CC=C1OC=C2 AK119994 [0,0,0,1,0,0|1,0,2]=4 255 B10R2.7 C12=NC=CC=C1OC=N2 AK-85807 [0,0,0,1,0,0|2,0,1]=4 256 B10R2.7 C12=NC=NC=C1CNC2 AK-24694 [0,0,0,1,0,0|2,0,0]=3 257 B10R2.7 C1=CC2=C(N=C1)C=C[NH]2 AK-29974 [0,0,0,1,0,0|1,0,2]=4 258 B10R2.7 C1=CC=CC2=C1CCO2 AK-35322 [0,0,0,1,0,0|2,0,0]=3 259 B10R2.7 C1NCC2=C1C=CN=C2 AK-49968 [0,0,0,1,0,0|3,0,0]=4 260 B10R2.7 C=12CNCC1C=CN=C2 AK-27368 [0,0,0,1,0,0|3,0,0]=4 261 B10R2.7 C=12NCCC1C=CN=C2 AK-76917 [0,0,0,1,0,0|3,0,0]=4 262 B10R2.7 C=12NCCC1C=CN=C2 AK138671 [0,0,0,1,0,0|3,0,0]=4 263 B10R2.7 S1C=CC2=C1C=CC=N2 AK-55220 [0,0,0,1,0,0|1,0,2]=4 264 B10R2.7 S1C=CC2=C1N=CC=C2 AK-30780 [0,0,0,1,0,0|1,0,2]=4 265 B10R2.320 BrC1C2=CC=CC=C2C1 AK163275 [0,0,0,1,0,0|2,0,0]=3 266 B10R2.320 C1=CC=CC2=C1CC2=O AK-72898 [0,0,0,1,0,0|2,0,1]=4 267 B8R1.8 C1=CN=C(CCC)[NH]1 AK-49074 [0,0,0,0,1,0|1,0,0]=2 268 B8R1.8 CCCC1=NC=CS1 AK-60893 [0,0,0,0,1,0|1,0,0]=2 269 B8R1.8 CCCN1C=CN=C1 AK111106 [0,0,0,0,1,0|2,0,0]=3 270 B8R1.8 CCOC1=NC=CS1 AK-79313 [0,0,0,0,1,0|2,0,0]=3 271 B8R1.8 CNCC1=CC=CS1 AK-16718 [0,0,0,0,1,0|2,0,0]=3 272 B8R1.8 CNCC1=CSC=C1 AK-49561 [0,0,0,0,1,0|2,0,0]=3 273 B8R1.8 COCN1C=CN=C1 AK116280 [0,0,0,0,1,0|3,0,0]=4 274 B8R1.8 ClCCC1=CN=CN1 AK-40927 [0,0,0,0,1,0|2,0,1]=4 275 B8R1.8 N#CCC1=CC=CS1 AK-93470 [0,0,0,0,1,0|2,0,1]=4 276 B8R1.8 N#CCC1=CSC=C1 AK-58785 [0,0,0,0,1,0|2,0,1]=4 277 B8R1.8 NCCC1=CC=CS1 AK-44822 [0,0,0,0,1,0|2,0,0]=3 278 B8R1.8 NCCC1=CN=CS1 AK140134 [0,0,0,0,1,0|3,0,0]=4 279 B8R1.8 NCCC1=CNC=N1 AK-29414 [0,0,0,0,1,0|2,0,0]=3 280 B8R1.8 NCCC1=CSC=C1 AK-28310 [0,0,0,0,1,0|2,0,0]=3 281 B8R1.8 NCCC1=CSC=C1 AK-49962 [0,0,0,0,1,0|2,0,0]=3 282 B8R1.8 NCCC1=NC=CN1 AK170004 [0,0,0,0,1,0|2,0,0]=3 283 B8R1.8 NCCN1C=CC=C1 AK-34573 [0,0,0,0,1,0|2,0,0]=3 284 B8R1.8 NCCN1C=CN=C1 AK-26623 [0,0,0,0,1,0|3,0,0]=4 285 B8R1.8 NCCN1C=CN=C1 AK-33443 [0,0,0,0,1,0|3,0,0]=4 286 B8R1.8 OCCC1=CC=CS1 AK-43981 [0,0,0,0,1,0|2,0,0]=3 287 B8R1.8 OCCC1=CN=CN1 AK144733 [0,0,0,0,1,0|2,0,1]=4 288 B8R1.8 OCCC1=CSC=C1 AK-68259 [0,0,0,0,1,0|2,0,0]=3 289 B8R1.8 OCCN1C=CN=C1 AK-63425 [0,0,0,0,1,0|3,0,0]=4 290 B8R1.8 [NH]1C=C(C=N1)CCO AK-33792 [0,0,0,0,1,0|3,0,0]=4 291 B7R1.3 BrC1=NC=CC=N1 AK-41165 [2,0,0,0,0,0|2,0,0]=4 292 B7R1.3 BrC1=NC=CN=C1 AK-21911 [2,0,0,0,0,0|2,0,0]=4 293 B7R1.3 C1=CC=NN=C1N AK-21777 [2,0,0,0,0,0|2,0,0]=4 294 B7R1.3 C1=CC=NN=C1N AK-23968 [2,0,0,0,0,0|2,0,0]=4 295 B7R1.3 C1=CN=CN=C1N AK-24798 [2,0,0,0,0,0|2,0,0]=4 296 B7R1.3 CC1=CN=CC=N1 AK-88672 [2,0,0,0,0,0|1,0,0]=3 297 B7R1.3 CC1=NC=NC=C1 AK-34763 [2,0,0,0,0,0|1,0,0]=3 298 B7R1.3 ClC1=NC=CC=N1 AK-80229 [2,0,0,0,0,0|2,0,0]=4 299 B7R1.3 ClC1=NC=NC=C1 AK-87917 [2,0,0,0,0,0|2,0,0]=4 300 B7R1.3 IC1=CC=CC=C1 AK-88660 [2,0,0,0,0,0|2,0,0]=4 301 B7R1.3 IC1=CN=CC=N1 AK-23638 [2,0,0,0,0,0|2,0,0]=4 302 B7R1.3 IC1=NC=CC=C1 AK-43060 [2,0,0,0,0,0|1,0,0]=3 303 B7R1.3 IC1=NC=CC=N1 AK-51554 [2,0,0,0,0,0|2,0,0]=4 304 B7R1.3 N1=CN=C(C=C1)O AK-25153 [2,0,0,0,0,0|2,0,0]=4 305 B7R1.3 NC1=NC=CC=N1 AK-72832 [2,0,0,0,0,0|2,0,0]=4 306 B7R1.3 NC1=NC=CN=C1 AK-24896 [2,0,0,0,0,0|2,0,0]=4 307 B7R1.3 OC1=NC=CC=N1 AK-41674 [2,0,0,0,0,0|2,0,0]=4 308 B7R1.3 OC1=NC=CC=N1 AK-49044 [2,0,0,0,0,0|2,0,0]=4 309 B7R1.3 [S-]C1=CC=CC=C1 AK316593 [2,0,0,0,0,0|2,0,0]=4 310 B9R1.1 BrC1=CN=C(C=C1)CC AK-34965 [1,1,0,0,0,0|0,0,0]=2 311 B9R1.1 BrC1=CN=C(C=C1)NC AK-46585 [1,1,0,0,0,0|1,0,0]=3 312 B9R1.1 BrC1=CN=C(N=C1)SC AK-25120 [1,1,0,0,0,0|2,0,0]=4 313 B9R1.1 BrCC1=NC=C(Br)C=N1 AK145130 [1,1,0,0,0,0|2,0,0]=4 314 B9R1.1 BrCC1=NN=C(Br)C=C1 AK149473 [1,1,0,0,0,0|2,0,0]=4 315 B9R1.1 C#CC1=NC=C(Br)C=C1 AK-46984 [1,1,0,0,0,0|0,0,2]=4 316 B9R1.1 C#CC1=NC=C(Cl)C=C1 AK132936 [1,1,0,0,0,0|0,0,2]=4 317 B9R1.1 C(#N)C1=NC=C(C=C1)Cl AK-26425 [1,1,0,0,0,0|1,0,1]=4 318 B9R1.1 C1=C(C=CC(=C1)CN)O AK-47356 [1,1,0,0,0,0|2,0,0]=4 319 B9R1.1 C1=C(C=CC(=N1)C#N)C AK-29901 [1,1,0,0,0,0|1,0,1]=4 320 B9R1.1 C1=C(C=NC(=C1)CO)Br AK-26386 [1,1,0,0,0,0|1,0,0]=3 321 B9R1.1 C1=C(C=NC(=N1)OC)Br AK-27180 [1,1,0,0,0,0|2,0,0]=4 322 B9R1.1 C1=C(N)C=NC(=N1)OC AK-27272 [1,1,0,0,0,0|2,0,0]=4 323 B9R1.1 C1=C(N=CC(=C1)Br)C#N AK-26480 [1,1,0,0,0,0|1,0,1]=4 324 B9R1.1 C1=CC(=CC=C1Br)CC AK-47528 [1,1,0,0,0,0|1,0,0]=3 325 B9R1.1 C1=CC(=CC=C1CO)O AK-47325 [1,1,0,0,0,0|2,0,0]=4 326 B9R1.1 C1=CC(=CC=C1I)NC AK-39846 [1,1,0,0,0,0|2,0,0]=4 327 B9R1.1 C1=CC(=CN=C1OC)Br AK-32435 [1,1,0,0,0,0|1,0,0]=3 328 B9R1.1 C1=CC(=CN=C1OC)N AK-24754 [1,1,0,0,0,0|1,0,0]=3 329 B9R1.1 C1=CC(=NN=C1NC)Cl AK-41790 [1,1,0,0,0,0|2,0,0]=4 330 B9R1.1 C1=CC(=NN=C1OC)Br AK-31439 [1,1,0,0,0,0|2,0,0]=4 331 B9R1.1 CC1=CN=C(C=C1)C=O AK-35332 [1,1,0,0,0,0|1,0,1]=4 332 B9R1.1 CC1=CN=C(C=N1)CO AK-24727 [1,1,0,0,0,0|2,0,0]=4 333 B9R1.1 CC1=CN=C(CCl)C=N1 AK138019 [1,1,0,0,0,0|2,0,0]=4 334 B9R1.1 CC1=CN=C(CCl)N=C1 AK-76612 [1,1,0,0,0,0|2,0,0]=4 335 B9R1.1 CC1=CN=C(OC)C=C1 AK-58301 [1,1,0,0,0,0|1,0,0]=3 336 B9R1.1 CC1=NN=C(OC)C=C1 AK136314 [1,1,0,0,0,0|2,0,0]=4 337 B9R1.1 CCC1=CN=C(C=N1)C AK-58106 [1,1,0,0,0,0|1,0,0]=3 338 B9R1.1 CCC1=CN=C(Cl)C=C1 AK-48582 [1,1,0,0,0,0|2,0,0]=4 339 B9R1.1 CCC1=NC=C(Cl)C=C1 AK134672 [1,1,0,0,0,0|0,0,0]=2 340 B9R1.1 CNC1=CC=C(Cl)C=C1 AK129065 [1,1,0,0,0,0|2,0,0]=4 341 B9R1.1 CNC1=CC=C(F)C=C1 AK-87253 [1,1,0,0,0,0|2,0,0]=4 342 B9R1.1 CNC1=NC=C(Br)C=N1 AK-22027 [1,1,0,0,0,0|2,0,0]=4 343 B9R1.1 CNC1=NC=C(Br)N=C1 AK136913 [1,1,0,0,0,0|2,0,0]=4 344 B9R1.1 CNC1=NC=C(Cl)C=C1 AK123580 [1,1,0,0,0,0|1,0,0]=3 345 B9R1.1 CNC1=NN=C(Br)C=C1 AK125401 [1,1,0,0,0,0|2,0,0]=4 346 B9R1.1 COC1=CC=C(Cl)C=C1 AK116963 [1,1,0,0,0,0|2,0,0]=4 347 B9R1.1 COC1=CC=C(I)C=C1 AK-44747 [1,1,0,0,0,0|2,0,0]=4 348 B9R1.1 COC1=CC=C(O)C=C1 AK-46469 [1,1,0,0,0,0|2,0,0]=4 349 B9R1.1 COC1=CN=C(Br)C=N1 AK-24261 [1,1,0,0,0,0|2,0,0]=4 350 B9R1.1 COC1=NC=C(Cl)C=C1 AK-44270 [1,1,0,0,0,0|1,0,0]=3 351 B9R1.1 COC1=NC=C(Cl)C=N1 AK-53370 [1,1,0,0,0,0|2,0,0]=4 352 B9R1.1 COC1=NC=C(Cl)N=C1 AK-64586 [1,1,0,0,0,0|2,0,0]=4 353 B9R1.1 COC1=NC=C(F)C=C1 AK-27023 [1,1,0,0,0,0|1,0,0]=3 354 B9R1.1 COC1=NC=C(I)C=C1 AK-58302 [1,1,0,0,0,0|1,0,0]=3 355 B9R1.1 COC1=NC=C(I)C=N1 AK143508 [1,1,0,0,0,0|2,0,0]=4 356 B9R1.1 COC1=NN=C(Cl)C=C1 AK-28238 [1,1,0,0,0,0|2,0,0]=4 357 B9R1.1 COC1=NN=C(I)C=C1 AK-63985 [1,1,0,0,0,0|2,0,0]=4 358 B9R1.1 CSC1=CN=C(Br)C=N1 AK-47704 [1,1,0,0,0,0|2,0,0]=4 359 B9R1.1 ClC1=CN=C(C=C1)C=O AK-44636 [1,1,0,0,0,0|1,0,1]=4 360 B9R1.1 ClC1=CN=C(CBr)C=C1 AK164355 [1,1,0,0,0,0|1,0,0]=3 361 B9R1.1 ClCC1=NC=C(Br)C=C1 AK-47143 [1,1,0,0,0,0|1,0,0]=3 362 B9R1.1 ClCC1=NN=C(Cl)C=C1 AK160378 [1,1,0,0,0,0|2,0,0]=4 363 B9R1.1 FC1=CN=C(C#C)C=C1 AK-62249 [1,1,0,0,0,0|0,0,2]=4 364 B9R1.1 FC1=CN=C(C#N)C=C1 AK-34701 [1,1,0,0,0,0|1,0,1]=4 365 B9R1.1 IC1=CC=C(CBr)C=C1 AK-54650 [1,1,0,0,0,0|2,0,0]=4 366 B9R1.1 IC1=CC=C(CC)C=C1 AK121966 [1,1,0,0,0,0|1,0,0]=3 367 B9R1.1 NC1=CC=C(CC)N=C1 AK-78651 [1,1,0,0,0,0|0,0,0]=2 368 B9R1.1 NC1=CC=C(NC)C=C1 AK-86240 [1,1,0,0,0,0|2,0,0]=4 369 B9R1.1 NC1=CN=C(NC)C=C1 AK-75542 [1,1,0,0,0,0|1,0,0]=3 370 B9R1.1 NC1=CN=C(NC)C=C1 AK141591 [1,1,0,0,0,0|1,0,0]=3 371 B9R1.1 NC1=NC=C(N=C1)CC AK-26631 [1,1,0,0,0,0|1,0,0]=3 372 B9R1.1 NC1=NC=C(N=C1)OC AK-24108 [1,1,0,0,0,0|2,0,0]=4 373 B9R1.1 NCC1=CC=C(Br)C=C1 AK-46356 [1,1,0,0,0,0|2,0,0]=4 374 B9R1.1 NCC1=CC=C(Br)C=C1 AK-49170 [1,1,0,0,0,0|2,0,0]=4 375 B9R1.1 NCC1=CC=C(Cl)C=C1 AK-44456 [1,1,0,0,0,0|2,0,0]=4 376 B9R1.1 NCC1=CC=C(I)C=C1 AK-81624 [1,1,0,0,0,0|2,0,0]=4 377 B9R1.1 NCC1=NC=C(Br)C=C1 AK-31901 [1,1,0,0,0,0|1,0,0]=3 378 B9R1.1 NCC1=NC=C(Br)C=C1 AK142316 [1,1,0,0,0,0|1,0,0]=3 379 B9R1.1 NCC1=NC=C(Br)C=N1 AK163395 [1,1,0,0,0,0|2,0,0]=4 380 B9R1.1 NCC1=NC=C(C)C=C1 AK150805 [1,1,0,0,0,0|1,0,0]=3 381 B9R1.1 NCC1=NC=C(Cl)C=C1 AK105180 [1,1,0,0,0,0|1,0,0]=3 382 B9R1.1 NCC1=NC=C(Cl)C=C1 AK145140 [1,1,0,0,0,0|1,0,0]=3 383 B9R1.1 NCC1=NC=C(Cl)C=N1 AK159181 [1,1,0,0,0,0|2,0,0]=4 384 B9R1.1 NCC1=NC=C(F)C=C1 AK145177 [1,1,0,0,0,0|1,0,0]=3 385 B9R1.1 NCC1=NC=C(F)C=N1 AK173055 [1,1,0,0,0,0|2,0,0]=4 386 B9R1.1 NCC1=NN=C(Cl)C=C1 AK-24540 [1,1,0,0,0,0|2,0,0]=4 387 B9R1.1 NNC1=NC=C(Br)C=C1 AK-28593 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.1 NNC1=NC=C(Cl)C=C1 AK126165 [1,1,0,0,0,0|2,0,0]=4 389 B9R1.1 NNC1=NC=C(F)C=C1 AK132930 [1,1,0,0,0,0|2,0,0]=4 390 B9R1.1 O=CC1=NC=C(Br)C=C1 AK-27944 [1,1,0,0,0,0|1,0,1]=4 391 B9R1.1 O=CC1=NC=C(F)C=C1 AK-34624 [1,1,0,0,0,0|1,0,1]=4 392 B9R1.1 O=CC1=NC=C(O)C=C1 AK-34625 [1,1,0,0,0,0|1,0,1]=4 393 B9R1.1 OC1=CC=C(CO)N=C1 AK-68040 [1,1,0,0,0,0|1,0,0]=3 394 B9R1.1 OC1=CN=C(C=C1)OC AK-26060 [1,1,0,0,0,0|1,0,0]=3 395 B9R1.1 OC1=NN=C(CN)C=C1 AK601362 [1,1,0,0,0,0|2,0,0]=4 396 B9R1.1 OCC1=CC=C(Br)C=C1 AK-93775 [1,1,0,0,0,0|2,0,0]=4 397 B9R1.1 OCC1=CC=C(C)C=C1 AK-92302 [1,1,0,0,0,0|2,0,0]=4 398 B9R1.1 OCC1=CC=C(Cl)C=C1 AK-94754 [1,1,0,0,0,0|2,0,0]=4 399 B9R1.1 OCC1=CC=C(Cl)N=N1 AK100622 [1,1,0,0,0,0|2,0,0]=4 400 B9R1.1 OCC1=CC=C(I)C=C1 AK-72872 [1,1,0,0,0,0|2,0,0]=4 401 B9R1.1 OCC1=CC=C(N)C=C1 AK-51503 [1,1,0,0,0,0|2,0,0]=4 402 B9R1.1 OCC1=NC=C(Br)C=N1 AK-78448 [1,1,0,0,0,0|2,0,0]=4 403 B9R1.1 OCC1=NC=C(Cl)C=C1 AK136128 [1,1,0,0,0,0|1,0,0]=3 404 B9R1.1 OCC1=NC=C(Cl)N=C1 AK-43110 [1,1,0,0,0,0|2,0,0]=4 405 B9R1.1 OCC1=NC=C(F)C=C1 AK-36421 [1,1,0,0,0,0|1,0,0]=3 406 B9R1.2 BrC1=CC(=CN=C1)CC AK-54800 [1,1,0,0,0,0|2,0,0]=4 407 B9R1.2 BrC1=CC(=NC=C1)CN AK-30719 [1,1,0,0,0,0|1,0,0]=3 408 B9R1.2 BrC1=NC(=CC=N1)OC AK-27677 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.2 BrC1=NC(=NC=C1)NC AK-31813 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.2 BrCC1=CC(I)=CC=C1 AK-54649 [1,1,0,0,0,0|2,0,0]=4 411 B9R1.2 BrCC1=CC=CC(Br)=N1 AK-48524 [1,1,0,0,0,0|1,0,0]=3 412 B9R1.2 C(#N)C1=NC=CC(=C1)C AK-33550 [1,1,0,0,0,0|1,0,1]=4 413 B9R1.2 C1=C(C=CN=C1OC)N AK-28456 [1,1,0,0,0,0|1,0,0]=3 414 B9R1.2 C1=C(CO)C=CC=C1N AK-50595 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.2 C1=C(Cl)C=CN=C1C#N AK-25210 [1,1,0,0,0,0|1,0,1]=4 416 B9R1.2 C1=C(Cl)N=CN=C1NC AK-26232 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.2 C1=C(N=C(C=C1)Cl)NN AK-27744 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.2 C1=C(N=CN=C1OC)N AK-27724 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.2 C1=C(OC)N=C(N=C1)N AK-22144 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.2 C1=C(OC)N=CN=C1Cl AK-23765 [1,1,0,0,0,0|2,0,0]=4 421 B9R1.2 C1=CC(=NC(=C1)C)C#N AK-29900 [1,1,0,0,0,0|1,0,1]=4 422 B9R1.2 C1=CC=C(Br)N=C1C=O AK-25797 [1,1,0,0,0,0|1,0,1]=4 423 B9R1.2 C1=CC=C(N=C1OC)Br AK-25939 [1,1,0,0,0,0|1,0,0]=3 424 B9R1.2 C1=CC=C(N=C1OC)C AK-44038 [1,1,0,0,0,0|1,0,0]=3 425 B9R1.2 C1=CC=C(N=C1OC)Cl AK-25492 [1,1,0,0,0,0|1,0,0]=3 426 B9R1.2 C1=CN=C(C=C1Br)C#N AK-30260 [1,1,0,0,0,0|1,0,1]=4 427 B9R1.2 CC1=CC(=NC=C1)C=O AK-24250 [1,1,0,0,0,0|1,0,1]=4 428 B9R1.2 CC1=CC(CCl)=NC=C1 AK-74194 [1,1,0,0,0,0|1,0,0]=3 429 B9R1.2 CC1=CC(CO)=NC=C1 AK-74173 [1,1,0,0,0,0|1,0,0]=3 430 B9R1.2 CC1=CC(OC)=NC=C1 AK-39493 [1,1,0,0,0,0|1,0,0]=3 431 B9R1.2 CC1=CC(OC)=NC=N1 AK340251 [1,1,0,0,0,0|2,0,0]=4 432 B9R1.2 CC1=CC=CC(CBr)=N1 AK-44889 [1,1,0,0,0,0|1,0,0]=3 433 B9R1.2 CC1=CC=CC(CCl)=N1 AK-40015 [1,1,0,0,0,0|1,0,0]=3 434 B9R1.2 CC1=NC=CC(OC)=N1 AK-59113 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.2 CCC1=CC(N)=NC=C1 AK-29170 [1,1,0,0,0,0|2,0,0]=4 436 B9R1.2 CCC1=CC=CC(Br)=C1 AK111102 [1,1,0,0,0,0|1,0,0]=3 437 B9R1.2 CCC1=CC=CC(Br)=N1 AK-65167 [1,1,0,0,0,0|0,0,0]=2 438 B9R1.2 CCC1=NC=CC(Br)=C1 AK129552 [1,1,0,0,0,0|0,0,0]=2 439 B9R1.2 CNC1=CC=CC(Br)=C1 AK112706 [1,1,0,0,0,0|2,0,0]=4 440 B9R1.2 CNC1=NC(Cl)=CC=C1 AK-48574 [1,1,0,0,0,0|1,0,0]=3 441 B9R1.2 CNC1=NC(Cl)=NC=C1 AK115794 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.2 CNC1=NC=CC(Br)=C1 AK141589 [1,1,0,0,0,0|1,0,0]=3 443 B9R1.2 COC1=CC(Br)=CC=C1 AK-76817 [1,1,0,0,0,0|2,0,0]=4 444 B9R1.2 COC1=CC(Cl)=CC=C1 AK106212 [1,1,0,0,0,0|2,0,0]=4 445 B9R1.2 COC1=CC=CC(F)=N1 AK130132 [1,1,0,0,0,0|1,0,0]=3 446 B9R1.2 COC1=CN=CC(I)=N1 AK-94548 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.2 COC1=NC(Cl)=NC=C1 AK-25127 [1,1,0,0,0,0|2,0,0]=4 448 B9R1.2 COC1=NC=CC(=O)N1 AK-25126 [1,1,0,0,0,0|2,0,0]=4 449 B9R1.2 COC1=NC=CC(Br)=C1 AK-47404 [1,1,0,0,0,0|1,0,0]=3 450 B9R1.2 COC1=NC=CC(F)=C1 AK-77188 [1,1,0,0,0,0|1,0,0]=3 451 B9R1.2 COC1=NC=CC(I)=C1 AK-37008 [1,1,0,0,0,0|1,0,0]=3 452 B9R1.2 COC1=NC=NC(Br)=C1 AK-65035 [1,1,0,0,0,0|2,0,0]=4 453 B9R1.2 CSC1=CC(Br)=NC=N1 AK143712 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.2 CSC1=CC=CC(Br)=N1 AK159822 [1,1,0,0,0,0|1,0,0]=3 455 B9R1.2 CSC1=NC(Cl)=NC=C1 AK-29307 [1,1,0,0,0,0|2,0,0]=4 456 B9R1.2 CSC1=NC=CC(Br)=N1 AK-28067 [1,1,0,0,0,0|2,0,0]=4 457 B9R1.2 CSC1=NC=CC(Cl)=N1 AK-29306 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.2 CSC1=NC=CC(N1)=O AK-26630 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.2 ClC1=CC(=NC=C1)CN AK-28137 [1,1,0,0,0,0|1,0,0]=3 460 B9R1.2 ClC1=CC(=NC=C1)CO AK-27991 [1,1,0,0,0,0|1,0,0]=3 461 B9R1.2 ClC1=CC(=NC=C1)OC AK-26290 [1,1,0,0,0,0|1,0,0]=3 462 B9R1.2 ClC1=CC(=NC=C1)SC AK-25786 [1,1,0,0,0,0|1,0,0]=3 463 B9R1.2 ClC1=CC(C=C)=NC=C1 AK100297 [1,1,0,0,0,0|0,0,2]=4 464 B9R1.2 ClC1=CC(CO)=CC=C1 AK-51231 [1,1,0,0,0,0|2,0,0]=4 465 B9R1.2 ClC1=CC=CC(=N1)CO AK-28428 [1,1,0,0,0,0|1,0,0]=3 466 B9R1.2 ClC1=CN=CC(=N1)NC AK-41779 [1,1,0,0,0,0|2,0,0]=4 467 B9R1.2 ClC1=NC(=CN=C1)OC AK-29172 [1,1,0,0,0,0|2,0,0]=4 468 B9R1.2 ClC1=NC(=NC=C1)NC AK-31812 [1,1,0,0,0,0|2,0,0]=4 469 B9R1.2 ClC1=NC(=NC=C1)OC AK-37477 [1,1,0,0,0,0|2,0,0]=4 470 B9R1.2 ClC1=NC=NC(=C1)SC AK-25177 [1,1,0,0,0,0|2,0,0]=4 471 B9R1.2 ClCC1=CC(I)=CC=C1 AK-94390 [1,1,0,0,0,0|2,0,0]=4 472 B9R1.2 ClCC1=CC=CC(Br)=N1 AK151971 [1,1,0,0,0,0|1,0,0]=3 473 B9R1.2 ClCC1=NC=CC(Cl)=C1 AK-46990 [1,1,0,0,0,0|1,0,0]=3 474 B9R1.2 FC1=CC(C=O)=NC=C1 AK-32767 [1,1,0,0,0,0|1,0,1]=4 475 B9R1.2 FC1=CC(CO)=CC=C1 AK-51232 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.2 FC1=CC=CC(=N1)C#C AK100508 [1,1,0,0,0,0|0,0,2]=4 477 B9R1.2 FC1=CC=CC(CBr)=N1 AK-77216 [1,1,0,0,0,0|1,0,0]=3 478 B9R1.2 FC1=CC=CC(CCl)=N1 AK137993 [1,1,0,0,0,0|1,0,0]=3 479 B9R1.2 FC1=NC(=CC=C1)C=O AK-25580 [1,1,0,0,0,0|1,0,1]=4 480 B9R1.2 IC1=NC=CC(=N1)OC AK-22058 [1,1,0,0,0,0|2,0,0]=4 481 B9R1.2 IC1=NC=NC(=C1)OC AK-37493 [1,1,0,0,0,0|2,0,0]=4 482 B9R1.2 N#CC1=NC(Br)=CC=C1 AK-32123 [1,1,0,0,0,0|1,0,1]=4 483 B9R1.2 N#CC1=NC(Cl)=CC=C1 AK-28586 [1,1,0,0,0,0|1,0,1]=4 484 B9R1.2 N#CC1=NC(N)=CC=C1 AK-53950 [1,1,0,0,0,0|1,0,1]=4 485 B9R1.2 N#CC1=NC=CC(O)=C1 AK-94904 [1,1,0,0,0,0|1,0,1]=4 486 B9R1.2 N(N)C1=NC(=CC=C1)C AK-35513 [1,1,0,0,0,0|2,0,0]=4 487 B9R1.2 NC1=CC(=NC=C1)C#N AK-46319 [1,1,0,0,0,0|1,0,1]=4 488 B9R1.2 NC1=CC(NC)=NC=C1 AK118733 [1,1,0,0,0,0|1,0,0]=3 489 B9R1.2 NC1=CC=CC(CN)=C1 AK-76655 [1,1,0,0,0,0|2,0,0]=4 490 B9R1.2 NC1=CC=CC(CO)=N1 AK-85732 [1,1,0,0,0,0|1,0,0]=3 491 B9R1.2 NC1=CC=CC(OC)=C1 AK309398 [1,1,0,0,0,0|2,0,0]=4 492 B9R1.2 NC1=CC=CC(SC)=C1 AK162933 [1,1,0,0,0,0|2,0,0]=4 493 B9R1.2 NC1=NC(=CC=C1)OC AK-27734 [1,1,0,0,0,0|1,0,0]=3 494 B9R1.2 NC1=NC(=CN=C1)OC AK-24224 [1,1,0,0,0,0|2,0,0]=4 495 B9R1.2 NC1=NC(CC)=CC=C1 AK-28992 [1,1,0,0,0,0|0,0,0]=2 496 B9R1.2 NC1=NC(OC)=NC=C1 AK-23728 [1,1,0,0,0,0|2,0,0]=4 497 B9R1.2 NCC1=CC(F)=CC=C1 AK-80195 [1,1,0,0,0,0|2,0,0]=4 498 B9R1.2 NCC1=CC=CC(Br)=C1 AK-49144 [1,1,0,0,0,0|2,0,0]=4 499 B9R1.2 NCC1=CC=CC(C)=C1 AK-98167 [1,1,0,0,0,0|2,0,0]=4 500 B9R1.2 NCC1=CC=CC(Cl)=C1 AK-89641 [1,1,0,0,0,0|2,0,0]=4 501 B9R1.2 NCC1=CC=CC(I)=C1 AK-46127 [1,1,0,0,0,0|2,0,0]=4 502 B9R1.2 NCC1=NC(Br)=CC=C1 AK-39249 [1,1,0,0,0,0|1,0,0]=3 503 B9R1.2 NCC1=NC(Br)=CC=C1 AK-79055 [1,1,0,0,0,0|1,0,0]=3 504 B9R1.2 NCC1=NC(Cl)=CC=C1 AK105012 [1,1,0,0,0,0|1,0,0]=3 505 B9R1.2 NCC1=NC(Cl)=CN=C1 AK130178 [1,1,0,0,0,0|2,0,0]=4 506 B9R1.2 NCC1=NC(F)=CC=C1 AK112462 [1,1,0,0,0,0|1,0,0]=3 507 B9R1.2 NCC1=NC=CC(Br)=C1 AK-76280 [1,1,0,0,0,0|1,0,0]=3 508 B9R1.2 NCC1=NC=CC(Cl)=C1 AK164315 [1,1,0,0,0,0|1,0,0]=3 509 B9R1.2 NCC1=NC=CC(F)=C1 AK133025 [1,1,0,0,0,0|1,0,0]=3 510 B9R1.2 NNC1=CC=CC(Br)=N1 AK-68384 [1,1,0,0,0,0|2,0,0]=4 511 B9R1.2 O=C1NC(SC)=NC=C1 AK-43583 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.2 O=C1NC=NC(CC)=C1 AK100022 [1,1,0,0,0,0|1,0,0]=3 513 B9R1.2 O=CC1=NC(C)=CC=C1 AK-45099 [1,1,0,0,0,0|1,0,1]=4 514 B9R1.2 O=CC1=NC(Cl)=CC=C1 AK-29361 [1,1,0,0,0,0|1,0,1]=4 515 B9R1.2 O=CC1=NC=CC(Br)=C1 AK-29828 [1,1,0,0,0,0|1,0,1]=4 516 B9R1.2 OC1=CC(CBr)=CC=C1 AK-99880 [1,1,0,0,0,0|2,0,0]=4 517 B9R1.2 OC1=CC(OC)=NC=C1 AK-68345 [1,1,0,0,0,0|1,0,0]=3 518 B9R1.2 OCC1=CC=CC(Br)=C1 AK110441 [1,1,0,0,0,0|2,0,0]=4 519 B9R1.2 OCC1=CC=CC(Br)=N1 AK-34739 [1,1,0,0,0,0|1,0,0]=3 520 B9R1.2 OCC1=CN=CC(Br)=N1 AK-68017 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.2 OCC1=NC(C)=CC=C1 AK-47726 [1,1,0,0,0,0|1,0,0]=3 522 B9R1.2 OCC1=NC(Cl)=CC=C1 AK-29179 [1,1,0,0,0,0|1,0,0]=3 523 B9R1.2 OCC1=NC(Cl)=CN=C1 AK-98157 [1,1,0,0,0,0|2,0,0]=4 524 B9R1.2 OCC1=NC(N)=NC=C1 AK116314 [1,1,0,0,0,0|2,0,0]=4 525 B9R1.2 OCC1=NC=CC(Br)=C1 AK-25360 [1,1,0,0,0,0|1,0,0]=3 526 B9R1.6 C1=C(C(C)=O)N=CC=C1 AK-53417 [1,1,0,0,0,0|0,0,1]=3 527 B9R1.6 C1=C(N=CC=N1)C(=O)C AK-16901 [1,1,0,0,0,0|1,0,1]=4 528 B9R1.6 C1=NC(=CC=C1)C(C)C AK-46532 [1,1,0,0,0,0|0,0,0]=2 529 B9R1.6 CC(=O)C1=CC=CN=N1 AK-83539 [1,1,0,0,0,0|1,0,1]=4 530 B9R1.6 CC(=O)C1=NC=CC=N1 AK-35526 [1,1,0,0,0,0|1,0,1]=4 531 B9R1.6 CC(C1=NC=NC=C1)=O AK-40767 [1,1,0,0,0,0|1,0,1]=4 532 B9R1.6 CC(N)C1=CC=CN=C1 AK-35649 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.6 CC(N)C1=CN=CC=N1 AK-31016 [1,1,0,0,0,0|1,0,0]=3 534 B9R1.6 CC(N)C1=NC=CC=N1 AK162973 [1,1,0,0,0,0|1,0,0]=3 535 B9R1.6 CC(O)C1=NC=CC=C1 AK-53453 [1,1,0,0,0,0|0,0,0]=2 536 B9R1.6 CN(C)C1=NC=CC=C1 AK-78706 [1,1,0,0,0,0|1,0,0]=3 537 B9R1.6 C[C@@H](N)C1=CC=CC=C1 AK668263 [1,1,0,0,0,0|1,0,0]=3 538 B9R1.6 C[C@@H](N)C1=CC=CN=C1 AK152012 [1,1,0,0,0,0|2,0,0]=4 539 B9R1.6 C[C@@H](N)C1=NC=CC=C1 AK122419 [1,1,0,0,0,0|0,0,0]=2 540 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AK-79205 [1,1,0,0,0,0|1,0,0]=3 541 B9R1.6 C[C@@H](O)C1=CC=NC=C1 AK-45022 [1,1,0,0,0,0|2,0,0]=4 542 B9R1.6 C[C@@H](O)C1=NC=CC=C1 AK-79201 [1,1,0,0,0,0|0,0,0]=2 543 B9R1.6 C[C@H](N)C1=CC=CN=C1 AK151271 [1,1,0,0,0,0|2,0,0]=4 544 B9R1.6 C[C@H](O)C1=CC=NC=C1 AK-79199 [1,1,0,0,0,0|2,0,0]=4 545 B9R1.6 N1=C(C=CC=C1)C(N)=S AK-65332 [1,1,0,0,0,0|1,0,1]=4 546 B9R1.6 N1=C(C=CC=C1)[C@@H](C)N AK-37082 [1,1,0,0,0,0|0,0,0]=2 547 B9R1.6 N=C(N)C1=NC=CC=C1 AK-26055 [1,1,0,0,0,0|1,0,1]=4 548 B9R1.6 N[C@@H](C1=CC=NC=C1)C AK202973 [1,1,0,0,0,0|2,0,0]=4 549 B9R1.6 N[C@H](C1=NC=CC=C1)C AK-37110 [1,1,0,0,0,0|0,0,0]=2 550 B9R1.6 O=C(Cl)C1=NC=CC=C1 AK-49118 [1,1,0,0,0,0|1,0,1]=4 551 B9R1.6 O=C(N)C1=NC=CC=C1 AK106190 [1,1,0,0,0,0|1,0,1]=4 552 B9R1.6 O=C(O)C1=NC=CC=C1 AK-50286 [1,1,0,0,0,0|1,0,1]=4 553 B9R1.6 OB(C1=NC=CC=C1)O AK-26642 [1,1,0,0,0,0|2,0,0]=4 554 B9R1.15 BrC1=CC=CN=C1OC AK-33153 [1,1,0,0,0,0|1,0,0]=3 555 B9R1.15 BrC1=CN=CN=C1NC AK-31820 [1,1,0,0,0,0|2,0,0]=4 556 B9R1.15 BrCC1=C(I)C=CC=C1 AK-54648 [1,1,0,0,0,0|2,0,0]=4 557 B9R1.15 BrCC1=NC=CC=C1Br AK158877 [1,1,0,0,0,0|1,0,0]=3 558 B9R1.15 C(C)C1=NC=NC=C1F AK-23771 [1,1,0,0,0,0|1,0,0]=3 559 B9R1.15 C1=C(C(=CC=C1)Br)CC AK-46714 [1,1,0,0,0,0|1,0,0]=3 560 B9R1.15 C1=C(C(=CC=C1)Br)CN AK-73129 [1,1,0,0,0,0|2,0,0]=4 561 B9R1.15 C1=C(C(=CC=C1)Cl)CO AK-46748 [1,1,0,0,0,0|2,0,0]=4 562 B9R1.15 C1=C(I)C(=NC=C1)OC AK-25295 [1,1,0,0,0,0|1,0,0]=3 563 B9R1.15 C1=CC=CC(=C1CO)Br AK-51234 [1,1,0,0,0,0|2,0,0]=4 564 B9R1.15 C1=CC=CC(=C1O)CO AK-47595 [1,1,0,0,0,0|2,0,0]=4 565 B9R1.15 C1=CC=CC(=C1OC)F AK-46555 [1,1,0,0,0,0|2,0,0]=4 566 B9R1.15 C1=CC=NC(=C1C)C#N AK-25587 [1,1,0,0,0,0|1,0,1]=4 567 B9R1.15 CC1=CC=CC=C1CC AK-49977 [1,1,0,0,0,0|1,0,0]=3 568 B9R1.15 CC1=CC=CN=C1CCl AK-77025 [1,1,0,0,0,0|1,0,0]=3 569 B9R1.15 CC1=CC=CN=C1OC AK126197 [1,1,0,0,0,0|1,0,0]=3 570 B9R1.15 CC1=NC=CN=C1CC AK114356 [1,1,0,0,0,0|1,0,0]=3 571 B9R1.15 CCC1=C(Br)C=CN=C1 AK328293 [1,1,0,0,0,0|2,0,0]=4 572 B9R1.15 CCC1=C(Br)C=NC=C1 AK-81618 [1,1,0,0,0,0|2,0,0]=4 573 B9R1.15 CCC1=C(Cl)N=CC=N1 AK-54851 [1,1,0,0,0,0|1,0,0]=3 574 B9R1.15 CCC1=NC=CC=C1Br AK128590 [1,1,0,0,0,0|0,0,0]=2 575 B9R1.15 CCC1=NC=NC=C1Br AK105597 [1,1,0,0,0,0|1,0,0]=3 576 B9R1.15 CNC1=CC=CC=C1Cl AK163346 [1,1,0,0,0,0|2,0,0]=4 577 B9R1.15 CNC1=CC=CC=C1F AK-48931 [1,1,0,0,0,0|2,0,0]=4 578 B9R1.15 CNC1=NC=CC=C1Cl AK140218 [1,1,0,0,0,0|1,0,0]=3 579 B9R1.15 CNC1=NC=CN=C1N AK-23939 [1,1,0,0,0,0|2,0,0]=4 580 B9R1.15 COC1=C(Br)N=CC=N1 AK-37282 [1,1,0,0,0,0|2,0,0]=4 581 B9R1.15 COC1=C(C)N=CC=N1 AK-29085 [1,1,0,0,0,0|2,0,0]=4 582 B9R1.15 COC1=CC=CC=C1Br AK-76806 [1,1,0,0,0,0|2,0,0]=4 583 B9R1.15 COC1=NC=CC=C1Cl AK-33154 [1,1,0,0,0,0|1,0,0]=3 584 B9R1.15 COC1=NC=CC=C1F AK-33314 [1,1,0,0,0,0|1,0,0]=3 585 B9R1.15 COC1=NC=CN=C1I AK-94547 [1,1,0,0,0,0|2,0,0]=4 586 B9R1.15 COC1=NC=NC=C1Br AK133377 [1,1,0,0,0,0|2,0,0]=4 587 B9R1.15 COC1=NC=NC=C1Cl AK147276 [1,1,0,0,0,0|2,0,0]=4 588 B9R1.15 COC1=NC=NC=C1I AK-37534 [1,1,0,0,0,0|2,0,0]=4 589 B9R1.15 CSC1=NC=CN=C1C AK-53396 [1,1,0,0,0,0|2,0,0]=4 590 B9R1.15 ClC1=CC=CN=C1CBr AK138503 [1,1,0,0,0,0|1,0,0]=3 591 B9R1.15 ClC1=CC=CN=C1NN AK-34224 [1,1,0,0,0,0|2,0,0]=4 592 B9R1.15 ClC1=NC=CN=C1CCl AK-37298 [1,1,0,0,0,0|2,0,0]=4 593 B9R1.15 ClC1=NC=CN=C1OC AK-25926 [1,1,0,0,0,0|2,0,0]=4 594 B9R1.15 ClCC1=NC=CC=C1Cl AK109982 [1,1,0,0,0,0|1,0,0]=3 595 B9R1.15 ClCC1=NC=CC=C1Cl AK138192 [1,1,0,0,0,0|1,0,0]=3 596 B9R1.15 FC1=CC=CN=C1C=O AK-25751 [1,1,0,0,0,0|1,0,1]=4 597 B9R1.15 FC1=CC=CN=C1CBr AK128379 [1,1,0,0,0,0|1,0,0]=3 598 B9R1.15 FC1=CC=CN=C1CCl AK109609 [1,1,0,0,0,0|1,0,0]=3 599 B9R1.15 FC1=CC=CN=C1CO AK-29127 [1,1,0,0,0,0|1,0,0]=3 600 B9R1.15 N#CC1=NC=CC=C1Br AK-32446 [1,1,0,0,0,0|1,0,1]=4 601 B9R1.15 N#CC1=NC=CC=C1Cl AK-34934 [1,1,0,0,0,0|1,0,1]=4 602 B9R1.15 N#CC1=NC=CC=C1F AK-29631 [1,1,0,0,0,0|1,0,1]=4 603 B9R1.15 NC1=CC=CC=C1NC AK-35283 [1,1,0,0,0,0|2,0,0]=4 604 B9R1.15 NC1=CC=CN=C1OC AK-28363 [1,1,0,0,0,0|1,0,0]=3 605 B9R1.15 NC1=NC=CN=C1CC AK-30572 [1,1,0,0,0,0|1,0,0]=3 606 B9R1.15 NC1=NC=CN=C1OC AK-23933 [1,1,0,0,0,0|2,0,0]=4 607 B9R1.15 NCC1=CC=CC=C1C AK-89642 [1,1,0,0,0,0|2,0,0]=4 608 B9R1.15 NCC1=CC=CC=C1Cl AK-78184 [1,1,0,0,0,0|2,0,0]=4 609 B9R1.15 NCC1=CC=CC=C1F AK-88519 [1,1,0,0,0,0|2,0,0]=4 610 B9R1.15 NCC1=CC=CC=C1I AK-94126 [1,1,0,0,0,0|2,0,0]=4 611 B9R1.15 NCC1=NC=CC=C1C AK122548 [1,1,0,0,0,0|1,0,0]=3 612 B9R1.15 NCC1=NC=CC=C1Cl AK-41569 [1,1,0,0,0,0|1,0,0]=3 613 B9R1.15 NCC1=NC=CN=C1Cl AK-42166 [1,1,0,0,0,0|2,0,0]=4 614 B9R1.15 NCC1=NC=CN=C1Cl AK-64298 [1,1,0,0,0,0|2,0,0]=4 615 B9R1.15 O=C1C(CC)=NC=CN1 AK198883 [1,1,0,0,0,0|1,0,0]=3 616 B9R1.15 O=CC1=NC=CC=C1C AK-26127 [1,1,0,0,0,0|1,0,1]=4 617 B9R1.15 O=CC1=NC=CC=C1Cl AK-28957 [1,1,0,0,0,0|1,0,1]=4 618 B9R1.15 OC1=C(C=O)N=CC=C1 AK-47968 [1,1,0,0,0,0|1,0,1]=4 619 B9R1.15 OC1=CC=CC=C1CN AK-49022 [1,1,0,0,0,0|2,0,0]=4 620 B9R1.15 OC1=CC=CC=C1CN AK167666 [1,1,0,0,0,0|2,0,0]=4 621 B9R1.15 OC1=CC=CC=C1OC AK114448 [1,1,0,0,0,0|2,0,0]=4 622 B9R1.15 OC1=CC=CN=C1C#N AK-28336 [1,1,0,0,0,0|1,0,1]=4 623 B9R1.15 OC1=CC=CN=C1CN AK-82086 [1,1,0,0,0,0|1,0,0]=3 624 B9R1.15 OC1=CC=CN=C1OC AK261041 [1,1,0,0,0,0|1,0,0]=3 625 B9R1.15 OCC1=C(Cl)N=CC=N1 AK-39229 [1,1,0,0,0,0|2,0,0]=4 626 B9R1.15 OCC1=CC=CC=C1I AK-77177 [1,1,0,0,0,0|2,0,0]=4 627 B9R1.15 OCC1=CC=CC=C1N AK-49868 [1,1,0,0,0,0|2,0,0]=4 628 B9R1.15 OCC1=NC=CC=C1Cl AK133056 [1,1,0,0,0,0|1,0,0]=3 629 B9R1.7 CC1=CC=C(CCO)O1 AK684573 [0,1,0,0,1,0|2,0,0]=4 630 B9R1.7 CCCC1=CC=C(Br)S1 AK-89997 [0,1,0,0,1,0|1,0,0]=3 631 B9R1.7 IC1=CN(CCO)N=C1 AK145306 [0,1,0,0,1,0|2,0,0]=4 632 B9R1.7 NC1=CC(CCC)=NO1 AK146146 [0,1,0,0,1,0|1,0,0]=3 633 B9R1.7 NC1=CN(CCO)N=C1 AK-40971 [0,1,0,0,1,0|2,0,0]=4 634 B9R1.7 NC1=NN(CCO)C=C1 AK-93992 [0,1,0,0,1,0|2,0,0]=4 635 B9R1.7 NC1=NNC(CCC)=C1 AK-83429 [0,1,0,0,1,0|1,0,1]=4 636 B9R1.11 CCC(C1=NC=CS1)=O AK113134 [0,1,0,0,1,0|1,0,1]=4 637 B9R1.11 NC(C1=CC=CS1)CO AK684513 [0,1,0,0,1,0|2,0,0]=4 638 B9R1.12 CCCCC1=CC=CS1 AK142166 [0,1,0,0,1,0|1,0,0]=3 639 B9R1.12 CCOCC1=CC=CO1 AK119688 [0,1,0,0,1,0|1,0,0]=3 640 B9R1.12 N#CCCN1C=CC=C1 AK111457 [0,1,0,0,1,0|1,0,1]=4 641 B9R1.13 CC(C)CC1=NC=CS1 AK114248 [0,1,0,0,1,0|1,0,0]=3 642 B9R1.13 CN(C)C=C1C=CC=C1 AK-79365 [0,1,0,0,1,0|1,0,1]=4 643 B9R1.33 C1=C([N](N=C1)CCO)N AK-29485 [0,1,0,0,1,0|2,0,0]=4 644 B11R1.1 C(CC)OC1=CC=C(N=N1)N AK-24901 [0,2,0,0,0,0|1,0,0]=3 645 B11R1.1 CC1=CC=C(OCCO)C=C1 AK187911 [0,2,0,0,0,0|2,0,0]=4 646 B11R1.1 CCCCC1=CC=C(Br)C=C1 AK-50730 [0,2,0,0,0,0|1,0,0]=3 647 B11R1.1 CCCOC1=CC=C(O)C=C1 AK-48796 [0,2,0,0,0,0|1,0,0]=3 648 B11R1.1 CCCOC1=NN=C(Cl)C=C1 AK392105 [0,2,0,0,0,0|1,0,0]=3 649 B11R1.1 CCNCC1=CC=C(C)C=C1 AK-88644 [0,2,0,0,0,0|1,0,0]=3 650 B11R1.1 CCOCC1=CC=C(O)C=C1 AK104357 [0,2,0,0,0,0|1,0,0]=3 651 B11R1.1 ClC1=CC=C(CCCBr)C=C1 AK105993 [0,2,0,0,0,0|1,0,0]=3 652 B11R1.1 FC1=CC=C(CCNC)C=C1 AK140514 [0,2,0,0,0,0|1,0,0]=3 653 B11R1.1 FC1=CC=C(COCC)C=C1 AK468045 [0,2,0,0,0,0|1,0,0]=3 654 B11R1.1 FC1=CC=C(OCCBr)C=C1 AK135025 [0,2,0,0,0,0|2,0,0]=4 655 B11R1.1 FC1=CC=C(OCCN)C=C1 AK136704 [0,2,0,0,0,0|2,0,0]=4 656 B11R1.1 NCCCC1=CC=C(Cl)C=C1 AK117153 [0,2,0,0,0,0|1,0,0]=3 657 B11R1.1 NCCCC1=CC=C(F)C=C1 AK223008 [0,2,0,0,0,0|1,0,0]=3 658 B11R1.1 NCCNC1=NC=C(Br)C=C1 AK-78313 [0,2,0,0,0,0|1,0,0]=3 659 B11R1.1 OCCCC1=CC=C(Br)C=C1 AK-38439 [0,2,0,0,0,0|1,0,0]=3 660 B11R1.1 OCCCC1=CC=C(Br)N=C1 AK-80543 [0,2,0,0,0,0|2,0,0]=4 661 B11R1.1 OCCCC1=CC=C(O)C=C1 AK-32677 [0,2,0,0,0,0|1,0,0]=3 662 B11R1.20 BrC1=CN=C(C=C1)CC(=O)O AK-46600 [0,2,0,0,0,0|1,0,1]=4 663 B11R1.20 C1=CC(=CC=C1CC(C)=O)F AK-50578 [0,2,0,0,0,0|1,0,1]=4 664 B11R1.20 CC(C)OC1=CC=C(I)N=N1 AK104713 [0,2,0,0,0,0|2,0,0]=4 665 B11R1.20 CC(NC1=CC=C(F)C=C1)C AK-53729 [0,2,0,0,0,0|2,0,0]=4 666 B11R1.20 CC(NC1=NC=C(Br)C=C1)=O AK-32386 [0,2,0,0,0,0|1,0,1]=4 667 B11R1.20 CC(NC1=NC=C(O)C=C1)=O AK114074 [0,2,0,0,0,0|1,0,1]=4 668 B11R1.20 FC(F)OC1=NC=C(Br)C=C1 AK-50225 [0,2,0,0,0,0|2,0,0]=4 669 B11R1.20 NC1=CC=C(CN(C)C)C=C1 AK-35964 [0,2,0,0,0,0|2,0,0]=4 670 B11R1.20 NC1=CC=C(OC(C)C)C=C1 AK-42665 [0,2,0,0,0,0|2,0,0]=4 671 B11R1.20 NC1=CC=C(OC(F)F)N=C1 AK132613 [0,2,0,0,0,0|2,0,0]=4 672 B11R1.20 O=C(N)CC1=NC=C(Br)C=C1 AK141365 [0,2,0,0,0,0|1,0,1]=4 673 B11R1.20 O=C(O)CC1=NC=C(C)C=C1 AK139129 [0,2,0,0,0,0|1,0,1]=4 674 B11R1.22 BrC1=CC=C(C(N)CO)C=C1 AK607944 [0,2,0,0,0,0|2,0,0]=4 675 B11R1.22 BrC1=CC=C([C@@H](N)CO)C=C1 AK172682 [0,2,0,0,0,0|2,0,0]=4 676 B11R1.22 C1=C(C=CC(=C1)Cl)C(CC)=O AK-47430 [0,2,0,0,0,0|1,0,1]=4 677 B11R1.22 C1=CC(=CN=C1C(OC)=O)Br AK-25721 [0,2,0,0,0,0|1,0,1]=4 678 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 AK544255 [0,2,0,0,0,0|2,0,0]=4 679 B11R1.22 CCC(C1=CC=C(Br)C=C1)=O AK133038 [0,2,0,0,0,0|1,0,1]=4 680 B11R1.22 CCC(C1=CC=C(Br)C=C1)N AK116183 [0,2,0,0,0,0|1,0,0]=3 681 B11R1.22 CCC(C1=CC=C(F)C=C1)=O AK-77665 [0,2,0,0,0,0|1,0,1]=4 682 B11R1.22 CCC(C1=CC=C(I)C=C1)=O AK149241 [0,2,0,0,0,0|1,0,1]=4 683 B11R1.22 CCC(C1=CC=C(O)C=C1)=O AK-44068 [0,2,0,0,0,0|1,0,1]=4 684 B11R1.22 CC[C@@H](C1=CC=C(Br)C=C1)N AK607954 [0,2,0,0,0,0|1,0,0]=3 685 B11R1.22 CC[C@@H](C1=CC=C(Cl)C=C1)N AK-53923 [0,2,0,0,0,0|1,0,0]=3 686 B11R1.22 CC[C@H](C1=CC=C(Br)C=C1)N AK172711 [0,2,0,0,0,0|1,0,0]=3 687 B11R1.22 CC[C@H](C1=CC=C(C)C=C1)N AK-93290 [0,2,0,0,0,0|1,0,0]=3 688 B11R1.22 CC[C@H](C1=CC=C(Cl)C=C1)N AK133438 [0,2,0,0,0,0|1,0,0]=3 689 B11R1.22 C[C@@H](NC)C1=CC=C(Cl)C=C1 AK607981 [0,2,0,0,0,0|2,0,0]=4 690 B11R1.22 C[C@H](NC)C1=CC=C(Br)C=C1 AK172763 [0,2,0,0,0,0|2,0,0]=4 691 B11R1.22 C[C@H](NC)C1=CC=C(Cl)C=C1 AK607980 [0,2,0,0,0,0|2,0,0]=4 692 B11R1.22 ClC1=CC=C([C@@H](N)CO)C=C1 AK486779 [0,2,0,0,0,0|2,0,0]=4 693 B11R1.22 ClC1=CC=C([C@H](N)CO)C=C1 AK607971 [0,2,0,0,0,0|2,0,0]=4 694 B11R1.22 FC1=CC=C([C@@H](N)CO)C=C1 AK117861 [0,2,0,0,0,0|2,0,0]=4 695 B11R1.22 FC1=CC=C([C@H](N)CO)C=C1 AK117823 [0,2,0,0,0,0|2,0,0]=4 696 B11R1.22 FC1=CC=C([C@H](N)CO)C=C1 AK117858 [0,2,0,0,0,0|2,0,0]=4 697 B11R1.22 NC(C1=CC=C(F)C=C1)CC AK470003 [0,2,0,0,0,0|1,0,0]=3 698 B11R1.22 NC1=CC=C(C(C)CC)C=C1 AK-76838 [0,2,0,0,0,0|1,0,0]=3 699 B11R1.22 NC1=CN=C(C=C1)C(=O)OC AK-24592 [0,2,0,0,0,0|1,0,1]=4 700 B11R1.22 NCC(O)C1=CC=C(O)C=C1 AK163650 [0,2,0,0,0,0|2,0,0]=4 701 B11R1.22 N[C@@H](C1=CC=C(F)C=C1)CC AK-42100 [0,2,0,0,0,0|1,0,0]=3 702 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 AK101499 [0,2,0,0,0,0|2,0,0]=4 703 B11R1.22 N[C@H](C1=CC=C(F)C=C1)CC AK-42091 [0,2,0,0,0,0|1,0,0]=3 704 B11R1.22 O=C(C1=NC=C(Cl)C=C1)OC AK-33121 [0,2,0,0,0,0|1,0,1]=4 705 B11R1.22 O=C(C1=NC=C(O)C=C1)OC AK-48134 [0,2,0,0,0,0|1,0,1]=4 706 B11R1.22 O=C(OC)C1=NC=C(C)C=C1 AK-76225 [0,2,0,0,0,0|1,0,1]=4 707 B11R1.22 OC1=CC=C(C(C)CN)C=C1 AK-47813 [0,2,0,0,0,0|2,0,0]=4 708 B11R1.22 OC1=CC=C([C@@H](N)CO)C=C1 AK544250 [0,2,0,0,0,0|2,0,0]=4 709 B11R1.22 OC1=CC=C([C@H](N)CO)C=C1 AK608028 [0,2,0,0,0,0|2,0,0]=4 710 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 AK110007 [0,2,0,0,0,0|2,0,0]=4 711 B11R1.22 OC[C@@H](N)C1=CC=C(Br)C=C1 AK338220 [0,2,0,0,0,0|2,0,0]=4 712 B11R1.22 OC[C@H](N)C1=CC=C(Br)C=C1 AK202041 [0,2,0,0,0,0|2,0,0]=4 713 B11R1.81 CCCC1=C(O)C=C(O)C=C1 AK-81520 [0,2,0,0,0,0|1,0,0]=3 714 B11R1.81 CCOC1=C(F)C=C(N)C=N1 AK100185 [0,2,0,0,0,0|1,0,0]=3 715 B11R1.81 CNCC1=C(Cl)C=C(Cl)C=C1 AK-16707 [0,2,0,0,0,0|2,0,0]=4 716 B11R1.81 CNCC1=CC=C(Cl)C=C1Cl AK-16701 [0,2,0,0,0,0|2,0,0]=4 717 B11R1.81 CNCC1=CC=C(F)C=C1F AK-80365 [0,2,0,0,0,0|2,0,0]=4 718 B11R1.81 ClC1=CC=C(C(Cl)=C1)CCO AK-39241 [0,2,0,0,0,0|2,0,0]=4 719 B11R1.81 NC1=CC(Br)=CN=C1OCC AK-39617 [0,2,0,0,0,0|1,0,0]=3 720 B11R1.81 NC1=CC(C)=CC=C1OCC AK327686 [0,2,0,0,0,0|2,0,0]=4 721 B11R1.81 NC1=CC=C(COC)C(F)=C1 AK162067 [0,2,0,0,0,0|2,0,0]=4 722 B11R1.81 NC1=CC=C(OCC)C(Cl)=C1 AK121334 [0,2,0,0,0,0|2,0,0]=4 723 B11R1.81 NC1=CC=C(OCC)C(N)=C1 AK-93490 [0,2,0,0,0,0|2,0,0]=4 724 B11R1.81 NCCC1=C(F)C=C(F)C=C1 AK-58290 [0,2,0,0,0,0|2,0,0]=4 725 B11R1.83 BrCCC1=CC=C(C=C1)C#N AK-36209 [0,2,0,0,0,0|2,0,0]=4 726 B11R1.83 C(C)OC1=CC=C(C=C1)C#C AK-43544 [0,2,0,0,0,0|2,0,0]=4 727 B11R1.83 C(CC)C1=CC=C(C=C1)C#C AK-45627 [0,2,0,0,0,0|1,0,0]=3 728 B11R1.83 C1=CC(=CC=C1OC)CNC AK-16703 [0,2,0,0,0,0|2,0,0]=4 729 B11R1.83 CCC1=CN=C(CCO)C=C1 AK-40455 [0,2,0,0,0,0|1,0,0]=3 730 B11R1.83 CCNC1=CC=C(C=O)C=C1 AK-80937 [0,2,0,0,0,0|2,0,0]=4 731 B11R1.83 CNCC1=CC=C(C=C1)C#N AK-89888 [0,2,0,0,0,0|2,0,0]=4 732 B11R1.83 CNCC1=CC=C(CC)C=C1 AK-78778 [0,2,0,0,0,0|2,0,0]=4 733 B11R1.83 COC1=CC=C(CCO)C=C1 AK-53969 [0,2,0,0,0,0|2,0,0]=4 734 B11R1.83 COC1=CC=C(CNC)C=C1 AK-16702 [0,2,0,0,0,0|2,0,0]=4 735 B11R1.83 COC1=CN=C(CCN)C=C1 AK160805 [0,2,0,0,0,0|1,0,0]=3 736 B11R1.83 N#CCC1=NC=C(OC)C=C1 AK161991 [0,2,0,0,0,0|1,0,1]=4 737 B11R1.83 NCC1=CC=C(CCC)C=C1 AK-79061 [0,2,0,0,0,0|1,0,0]=3 738 B11R1.83 NCC1=CC=C(OCC)C=C1 AK116322 [0,2,0,0,0,0|2,0,0]=4 739 B11R1.83 NCCC1=CC=C(C#N)C=C1 AK-33612 [0,2,0,0,0,0|2,0,0]=4 740 B11R1.83 O=CC1=CC=C(CCC)C=C1 AK115629 [0,2,0,0,0,0|1,0,0]=3 741 B11R1.83 O=CC1=CN=C(OCC)C=C1 AK-62192 [0,2,0,0,0,0|1,0,0]=3 742 B11R1.83 OCCC1=CC=C(C=O)C=C1 AK-82074 [0,2,0,0,0,0|2,0,0]=4 743 B11R1.192 C1=C(C=CC(=C1Cl)Cl)CNC AK-16705 [0,2,0,0,0,0|2,0,0]=4 744 B11R1.192 CC1=CC(OCC)=CC=C1Br AK-86746 [0,2,0,0,0,0|2,0,0]=4 745 B11R1.192 CC1=CC=C(CCN)C=C1C AK-33676 [0,2,0,0,0,0|2,0,0]=4 746 B11R1.192 CCCC1=CC=C(Br)C(F)=C1 AK-86763 [0,2,0,0,0,0|1,0,0]=3 747 B11R1.192 CCOC1=CC=C(Br)C(Cl)=C1 AK-86745 [0,2,0,0,0,0|2,0,0]=4 748 B11R1.192 CNCC1=CC=C(C)C(C)=C1 AK-82567 [0,2,0,0,0,0|2,0,0]=4 749 B11R1.192 COCC1=CC=C(F)C(Br)=C1 AK136514 [0,2,0,0,0,0|2,0,0]=4 750 B11R1.192 FC1=CC(CCBr)=CC=C1F AK108344 [0,2,0,0,0,0|2,0,0]=4 751 B11R1.192 FC1=CC(OCC)=CC=C1Br AK-61436 [0,2,0,0,0,0|2,0,0]=4 752 B11R1.192 FC1=CC=C(CCN)C=C1F AK120581 [0,2,0,0,0,0|2,0,0]=4 753 B11R1.192 FC1=CN=C(OCC)N=C1Cl AK132939 [0,2,0,0,0,0|2,0,0]=4 754 B11R1.192 NC1=NC(OCC)=NC=C1F AK132937 [0,2,0,0,0,0|2,0,0]=4 755 B11R1.192 OC1=CC=C(CCN)C=C1O AK142758 [0,2,0,0,0,0|2,0,0]=4 756 B11R1.192 OCCC1=CC(Cl)=C(Cl)C=C1 AK-45905 [0,2,0,0,0,0|2,0,0]=4 757 B11R1.13 ClC1=C(CCN)C=CC=C1Cl AK-16706 [0,2,0,0,0,0|2,0,0]=4 758 B11R1.13 ClC1=C(Cl)C(CCO)=CC=C1 AK-86365 [0,2,0,0,0,0|2,0,0]=4 759 B11R1.13 FC1=C(F)C(OCC)=CC=C1 AK-45507 [0,2,0,0,0,0|2,0,0]=4 760 B11R1.17 CCCOC1=C(O)C=CC=C1 AK111500 [0,2,0,0,0,0|1,0,0]=3 761 B11R1.17 N#CCCC1=CC=CC=C1Cl AK115012 [0,2,0,0,0,0|1,0,1]=4 762 B11R1.17 OCCCC1=CC=CC=C1Br AK-48306 [0,2,0,0,0,0|1,0,0]=3 763 B11R1.41 CNCC1=CC=CC=C1OC AK-89681 [0,2,0,0,0,0|2,0,0]=4 764 B11R1.41 CNCC1=CC=CC=C1OC AK161757 [0,2,0,0,0,0|2,0,0]=4 765 B11R1.41 COC1=CC=CC=C1CCBr AK-77286 [0,2,0,0,0,0|2,0,0]=4 766 B11R1.41 COC1=CC=CC=C1CCO AK118734 [0,2,0,0,0,0|2,0,0]=4 767 B11R1.41 N#CC1=CC=CC=C1OCC AK158954 [0,2,0,0,0,0|2,0,0]=4 768 B11R1.41 O=CC1=CC=CC=C1OCC AK156421 [0,2,0,0,0,0|2,0,0]=4 769 B11R1.41 OCC1=CC=CC=C1CNC AK146712 [0,2,0,0,0,0|2,0,0]=4 770 B11R1.86 C1=C(CC(=O)C)C(=CC=C1)Br AK-47295 [0,2,0,0,0,0|1,0,1]=4 771 B11R1.86 C1=C(OC(C)C)C(=CC=C1)N AK-39887 [0,2,0,0,0,0|2,0,0]=4 772 B11R1.86 CC(C)CC1=NC=CN=C1C AK-59003 [0,2,0,0,0,0|1,0,0]=3 773 B11R1.86 CC(C)OC1=CC=CC=C1Br AK-45390 [0,2,0,0,0,0|2,0,0]=4 774 B11R1.86 CC(CC1=CC=CC=C1F)=O AK117069 [0,2,0,0,0,0|1,0,1]=4 775 B11R1.86 CC(NC1=NC=CC=C1O)=O AK124571 [0,2,0,0,0,0|1,0,1]=4 776 B11R1.86 CC(OC1=NC=CC=C1Br)C AK127008 [0,2,0,0,0,0|1,0,0]=3 777 B11R1.86 FC(F)OC1=NC=CC=C1Br AK131892 [0,2,0,0,0,0|2,0,0]=4 778 B11R1.86 NC1=CC=CN=C1OC(F)F AK131553 [0,2,0,0,0,0|2,0,0]=4 779 B11R1.86 O=C(O)CC1=NC=CC=C1Cl AK-88771 [0,2,0,0,0,0|1,0,1]=4 780 B11R1.86 OC1=CC=CN=C1CN(C)C AK-34123 [0,2,0,0,0,0|1,0,0]=3 781 B11R1.182 CCOC1=NC(Br)=CN=C1N AK-23943 [0,2,0,0,0,0|2,0,0]=4 782 B11R1.182 COCC1=CC(Br)=CC=C1F AK135092 [0,2,0,0,0,0|2,0,0]=4 783 B11R1.182 ClC1=CC=C(Cl)C(CCN)=C1 AK135196 [0,2,0,0,0,0|2,0,0]=4 784 B11R1.182 NC1=CC=C(N)C=C1COC AK486936 [0,2,0,0,0,0|2,0,0]=4 785 B11R1.182 NC1=NC=C(N=C1NCC)Br AK-23953 [0,2,0,0,0,0|2,0,0]=4 786 B11R1.182 OCCC1=CC(Cl)=CC=C1Cl AK149274 [0,2,0,0,0,0|2,0,0]=4 787 B11R1.222 CCC(C1=CC=CC=C1Cl)=O AK-86142 [0,2,0,0,0,0|1,0,1]=4 788 B11R1.222 CCC(C1=CC=CC=C1F)N AK544261 [0,2,0,0,0,0|1,0,0]=3 789 B11R1.222 CCC(C1=NC=CC=C1C)N AK670798 [0,2,0,0,0,0|0,0,0]=2 790 B11R1.222 CC[C@@H](C1=CC=CC=C1F)N AK134089 [0,2,0,0,0,0|1,0,0]=3 791 B11R1.222 COC(=O)C1=NC=CC=C1C AK-61199 [0,2,0,0,0,0|1,0,1]=4 792 B11R1.222 ClC1=C(N=CC=C1)C(=O)OC AK-23912 [0,2,0,0,0,0|1,0,1]=4 793 B11R1.222 ClC1=CC=CC=C1[C@H](N)CO AK548235 [0,2,0,0,0,0|2,0,0]=4 794 B11R1.222 NC1=CC=CC=C1C(C)CC AK122191 [0,2,0,0,0,0|1,0,0]=3 795 B11R1.222 N[C@@H](C1=CC=CC=C1C)CC AK-42242 [0,2,0,0,0,0|1,0,0]=3 796 B11R1.222 N[C@H](C1=CC=CC=C1Cl)CC AK-42248 [0,2,0,0,0,0|1,0,0]=3 797 B11R1.222 O=C(C1=NC=CC=C1Br)OC AK-28556 [0,2,0,0,0,0|1,0,1]=4 798 B11R1.222 O=C(C1=NC=CC=C1F)OC AK-30151 [0,2,0,0,0,0|1,0,1]=4 799 B11R1.222 O=C(C1=NC=CC=C1O)OC AK-26201 [0,2,0,0,0,0|1,0,1]=4 800 B11R1.222 O=C(OC)C1=NC=CC=C1N AK-29219 [0,2,0,0,0,0|1,0,1]=4 801 B11R1.222 O[C@@H](C1=CC=CC=C1Cl)CO AK-44949 [0,2,0,0,0,0|2,0,0]=4 802 B11R1.605 CCOC1=C(F)C=CC=C1F AK-87527 [0,2,0,0,0,0|2,0,0]=4 803 B11R1.605 CNCC1=C(Cl)C=CC=C1Cl AK-16708 [0,2,0,0,0,0|2,0,0]=4 804 B11R1.605 ClC1=C(C(Cl)=CC=C1)CCO AK-51237 [0,2,0,0,0,0|2,0,0]=4 805 B11R1.23 BrC1=CC(=NC=C1)C(=O)OC AK-24538 [0,2,0,0,0,0|1,0,1]=4 806 B11R1.23 BrC1=CC(C(N)CO)=CC=C1 AK321205 [0,2,0,0,0,0|2,0,0]=4 807 B11R1.23 BrC1=CC([C@@H](N)CO)=CC=C1 AK160001 [0,2,0,0,0,0|2,0,0]=4 808 B11R1.23 BrC1=CC([C@H](N)CO)=CC=C1 AK167556 [0,2,0,0,0,0|2,0,0]=4 809 B11R1.23 C1=C(Cl)C=CN=C1C(OC)=O AK-16616 [0,2,0,0,0,0|1,0,1]=4 810 B11R1.23 C1=CC=C(N=C1C(OC)=O)C AK-32150 [0,2,0,0,0,0|1,0,1]=4 811 B11R1.23 CC(NC)C1=CC=CC(Br)=C1 AK608016 [0,2,0,0,0,0|2,0,0]=4 812 B11R1.23 CC1=CC([C@H](N)CO)=CC=C1 AK548236 [0,2,0,0,0,0|2,0,0]=4 813 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 AK101591 [0,2,0,0,0,0|1,0,1]=4 814 B11R1.23 CCC(C1=CC=CC(F)=C1)=O AK548314 [0,2,0,0,0,0|1,0,1]=4 815 B11R1.23 CCC(C1=CC=CC(O)=C1)=O AK-45536 [0,2,0,0,0,0|1,0,1]=4 816 B11R1.23 CCC(C1=NC=CC(Cl)=C1)=O AK146218 [0,2,0,0,0,0|0,0,1]=3 817 B11R1.23 CC[C@@H](C1=CC=CC(Br)=C1)N AK687502 [0,2,0,0,0,0|1,0,0]=3 818 B11R1.23 CC[C@@H](C1=CC=CC(F)=C1)N AK134091 [0,2,0,0,0,0|1,0,0]=3 819 B11R1.23 CC[C@H](C1=CC=CC(C)=C1)N AK134022 [0,2,0,0,0,0|1,0,0]=3 820 B11R1.23 CC[C@H](C1=CC=CC(Cl)=C1)N AK153385 [0,2,0,0,0,0|1,0,0]=3 821 B11R1.23 CC[C@H](C1=CC=CC(F)=C1)N AK-42095 [0,2,0,0,0,0|1,0,0]=3 822 B11R1.23 COC(=O)C1=NC=CC(C)=C1 AK-58362 [0,2,0,0,0,0|1,0,1]=4 823 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 AK-25656 [0,2,0,0,0,0|1,0,1]=4 824 B11R1.23 COC(C1=CC=CC(=N1)Br)=O AK-27818 [0,2,0,0,0,0|1,0,1]=4 825 B11R1.23 ClC1=CC([C@@H](N)CO)=CC=C1 AK143424 [0,2,0,0,0,0|2,0,0]=4 826 B11R1.23 ClC1=CC([C@H](N)CO)=CC=C1 AK143359 [0,2,0,0,0,0|2,0,0]=4 827 B11R1.23 ClC1=CC([C@H](N)CO)=CC=C1 AK172770 [0,2,0,0,0,0|2,0,0]=4 828 B11R1.23 ClC1=CC=NC(=C1)C(=O)NC AK-28999 [0,2,0,0,0,0|1,0,1]=4 829 B11R1.23 FC1=CC([C@@H](N)CO)=CC=C1 AK607953 [0,2,0,0,0,0|2,0,0]=4 830 B11R1.23 FC1=CC([C@H](N)CO)=CC=C1 AK159103 [0,2,0,0,0,0|2,0,0]=4 831 B11R1.23 FC1=CC([C@H](N)CO)=CC=C1 AK548219 [0,2,0,0,0,0|2,0,0]=4 832 B11R1.23 FC1=CC=CC(C(N)CO)=N1 AK543202 [0,2,0,0,0,0|1,0,0]=3 833 B11R1.23 O=C(C1=NC(Cl)=CC=C1)OC AK-51763 [0,2,0,0,0,0|1,0,1]=4 834 B11R1.23 O=C(C1=NC=CC(N)=C1)OC AK-36192 [0,2,0,0,0,0|1,0,1]=4 835 B11R1.23 O=C(NC)C1=NC=CC(Cl)=C1 AK-38402 [0,2,0,0,0,0|1,0,1]=4 836 B11R1.23 O=C(OC)C1=NC(F)=CC=C1 AK-87700 [0,2,0,0,0,0|1,0,1]=4 837 B11R1.23 O=C(OC)C1=NC(N)=CC=C1 AK-37656 [0,2,0,0,0,0|1,0,1]=4 838 B11R1.23 O=C(OC)C1=NC=CC(I)=C1 AK-29979 [0,2,0,0,0,0|1,0,1]=4 839 B11R1.23 OC1=CC=CC(C(N)CO)=C1 AK608024 [0,2,0,0,0,0|2,0,0]=4 840 B11R1.23 OC[C@H](O)C1=CC(Cl)=CC=C1 AK-45027 [0,2,0,0,0,0|2,0,0]=4 841 B11R1.23 O[C@@H](CCl)C1=CC(Cl)=CC=C1 AK-79203 [0,2,0,0,0,0|2,0,0]=4 842 B11R1.24 CCCOC1=CN=CC(C)=N1 AK113460 [0,2,0,0,0,0|1,0,0]=3 843 B11R1.24 CCNCC1=CC=CC(Cl)=C1 AK158029 [0,2,0,0,0,0|1,0,0]=3 844 B11R1.24 CCNCC1=CC=CC(Cl)=C1 AK484893 [0,2,0,0,0,0|1,0,0]=3 845 B11R1.24 COCOC1=CC(F)=CC=C1 AK101350 [0,2,0,0,0,0|2,0,0]=4 846 B11R1.24 ClC1=CC=CC(NCCO)=N1 AK-66021 [0,2,0,0,0,0|1,0,0]=3 847 B11R1.24 OCCCC1=CC=CC(Br)=C1 AK106570 [0,2,0,0,0,0|1,0,0]=3 848 B11R1.34 CCOC1=CC(C)=NC(Cl)=N1 AK-51776 [0,2,0,0,0,0|2,0,0]=4 849 B11R1.34 CCOC1=CC(F)=CC(Br)=C1 AK102974 [0,2,0,0,0,0|2,0,0]=4 850 B11R1.34 CCOC1=CC(N)=NC(N)=N1 AK-29796 [0,2,0,0,0,0|2,0,0]=4 851 B11R1.34 CNCC1=CC(Cl)=CC(Cl)=C1 AK-43704 [0,2,0,0,0,0|2,0,0]=4 852 B11R1.34 ClC1=CC(=NC(=N1)OCC)N AK-39602 [0,2,0,0,0,0|2,0,0]=4 853 B11R1.34 ClC1=CC(Cl)=NC(OCC)=N1 AK-30435 [0,2,0,0,0,0|2,0,0]=4 854 B11R1.34 ClC1=NC(=NC(=C1)OCC)N AK-25165 [0,2,0,0,0,0|2,0,0]=4 855 B11R1.34 NC1=CC(OCC)=NC(C)=C1 AK131706 [0,2,0,0,0,0|1,0,0]=3 856 B11R1.34 NC1=NC(COC)=CC(Cl)=N1 AK151697 [0,2,0,0,0,0|2,0,0]=4 857 B11R1.34 NC1=NC(SCC)=NC(N)=C1 AK542869 [0,2,0,0,0,0|2,0,0]=4 858 B11R1.34 NCCC1=CC(Cl)=CC(Cl)=C1 AK110643 [0,2,0,0,0,0|2,0,0]=4 859 B11R1.34 O=C1C=C(CCC)NC(N1)=S AK163671 [0,2,0,0,0,0|1,0,1]=4 860 B11R1.157 CC(=O)CC1=CC(F)=CC=C1 AK-60937 [0,2,0,0,0,0|1,0,1]=4 861 B11R1.157 CC(=O)NC1=NC(N)=CC=C1 AK103372 [0,2,0,0,0,0|1,0,1]=4 862 B11R1.157 CC(=O)NC1=NC=CC(N)=C1 AK-41020 [0,2,0,0,0,0|1,0,1]=4 863 B11R1.157 CC(C)CC1=CC(Br)=CC=C1 AK148389 [0,2,0,0,0,0|1,0,0]=3 864 B11R1.157 CC(CC1=CC=CC(Br)=C1)=O AK-94137 [0,2,0,0,0,0|1,0,1]=4 865 B11R1.157 CC(NC1=NC(Br)=CC=C1)=O AK-92376 [0,2,0,0,0,0|1,0,1]=4 866 B11R1.157 CC(NC1=NC=CC(Cl)=C1)=O AK-29058 [0,2,0,0,0,0|1,0,1]=4 867 B11R1.157 CN(C)CC1=CC=CC(Br)=C1 AK130105 [0,2,0,0,0,0|2,0,0]=4 868 B11R1.157 FC(F)OC1=CC=CC(Br)=N1 AK131657 [0,2,0,0,0,0|2,0,0]=4 869 B11R1.157 FC(F)OC1=CC=CC(Cl)=N1 AK131684 [0,2,0,0,0,0|2,0,0]=4 870 B11R1.157 FC(F)OC1=NC=CC(Br)=C1 AK132111 [0,2,0,0,0,0|2,0,0]=4 871 B11R1.157 NC1=CC(OC(F)F)=NC=C1 AK131555 [0,2,0,0,0,0|2,0,0]=4 872 B11R1.157 NC1=NC(OC(F)F)=CC=C1 AK132612 [0,2,0,0,0,0|2,0,0]=4 873 B11R1.157 O=C(O)CC1=NC(Br)=CC=C1 AK117142 [0,2,0,0,0,0|1,0,1]=4 874 B11R1.157 O=C(O)CC1=NC(Cl)=CC=C1 AK117649 [0,2,0,0,0,0|1,0,1]=4 875 B11R1.157 O=C(O)CC1=NC=CC(C)=C1 AK-68184 [0,2,0,0,0,0|1,0,1]=4 876 B11R1.157 O=C(O)CC1=NC=CC(Cl)=C1 AK164883 [0,2,0,0,0,0|1,0,1]=4 877 B11R1.157 O=C([O-])CC1=NC(C)=CC=C1 AK-91618 [0,2,0,0,0,0|1,0,1]=4 878 B11R1.157 OC1=CC(OC(F)F)=NC=C1 AK129432 [0,2,0,0,0,0|2,0,0]=4 879 B11R1.189 CNCC1=CC=CC(OC)=C1 AK-89685 [0,2,0,0,0,0|2,0,0]=4 880 B11R1.189 COC1=CC=CC(CCO)=C1 AK-89566 [0,2,0,0,0,0|2,0,0]=4 881 B11R1.189 CSC1=NC=CC(CNC)=N1 AK550381 [0,2,0,0,0,0|2,0,0]=4 882 B11R1.189 N#CC1=CC=CC(CNC)=C1 AK-89682 [0,2,0,0,0,0|2,0,0]=4 883 B11R1.189 O=CC1=NC(COC)=CC=C1 AK110145 [0,2,0,0,0,0|1,0,0]=3 884 B11R1.189 OCCC1=CC=CC(=C1)C#N AK100051 [0,2,0,0,0,0|2,0,0]=4 885 B11R1.7 CC(C1=CC=CC=C1)(C)CN AK117158 [0,2,0,0,0,0|2,0,0]=4 886 B11R1.7 CCC(C1=CC=CC=C1)(C)C AK-96688 [0,2,0,0,0,0|1,0,0]=3 887 B11R1.12 COC(C1=CC=CC=C1)CO AK-49663 [0,2,0,0,0,0|2,0,0]=4 888 B11R1.12 COC(C1=NC=NC=C1)OC AK-26885 [0,2,0,0,0,0|2,0,0]=4 889 B11R1.12 OCC(C1=CC=CC=C1)CO AK-39914 [0,2,0,0,0,0|2,0,0]=4 890 B11R1.16 C1=C(C(OCC)=O)N=CC=C1 AK-48935 [0,2,0,0,0,0|0,0,1]=3 891 B11R1.16 C=CC[C@H](C1=CC=CC=C1)N AK172643 [0,2,0,0,0,0|1,0,1]=4 892 B11R1.16 CCCC(C1=CC=CC=C1)=O AK164430 [0,2,0,0,0,0|1,0,0]=3 893 B11R1.16 CCCC(C1=CC=CN=C1)=O AK123326 [0,2,0,0,0,0|2,0,0]=4 894 B11R1.16 CCCC(C1=CC=NC=C1)N AK687508 [0,2,0,0,0,0|2,0,0]=4 895 B11R1.16 CCOC(=O)C1=NC=CC=N1 AK-85955 [0,2,0,0,0,0|1,0,1]=4 896 B11R1.16 ClCCC(O)C1=CC=CC=C1 AK-40050 [0,2,0,0,0,0|1,0,0]=3 897 B11R1.16 N#CCC(O)C1=CC=CC=C1 AK-63411 [0,2,0,0,0,0|1,0,1]=4 898 B11R1.16 N[C@@H](C1=CC=CC=C1)CCO AK-33656 [0,2,0,0,0,0|1,0,0]=3 899 B11R1.16 O=C(C1=NC=CN=C1)OCC AK-40036 [0,2,0,0,0,0|1,0,1]=4 900 B11R1.16 OC(C1=CC=CC=C1)CCN AK206233 [0,2,0,0,0,0|1,0,0]=3 901 B11R1.16 OCCC(N)C1=CC=CC=C1 AK-33310 [0,2,0,0,0,0|1,0,0]=3 902 B11R1.16 OCC[C@H](N)C1=CC=CC=C1 AK-36482 [0,2,0,0,0,0|1,0,0]=3 903 B11R1.16 O[C@@H](C1=CC=CC=C1)CCCl AK-25234 [0,2,0,0,0,0|1,0,0]=3 904 B11R1.16 O[C@H](C1=CC=CC=C1)CCCl AK-31989 [0,2,0,0,0,0|1,0,0]=3 905 B11R1.36 CC(C)[C@@H](C1=CC=CC=C1)N AK-42222 [0,2,0,0,0,0|1,0,0]=3 906 B11R1.36 CC(C)[C@H](C1=CC=CC=C1)N AK-41685 [0,2,0,0,0,0|1,0,0]=3 907 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 AK608029 [0,2,0,0,0,0|1,0,0]=3 908 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 AK608030 [0,2,0,0,0,0|1,0,0]=3 909 B11R1.36 FC(F)C(=O)C1=NC=CC=C1 AK104000 [0,2,0,0,0,0|1,0,1]=4 910 B11R1.28 BrCCOCC1=CC=CC=C1 AK-47866 [0,2,0,0,0,0|1,0,0]=3 911 B11R1.28 C(C1=CC=CC=C1)OCCN AK-34948 [0,2,0,0,0,0|1,0,0]=3 912 B11R1.28 C1=C(CCCCO)C=CC=C1 AK-34737 [0,2,0,0,0,0|1,0,0]=3 913 B11R1.28 C1=C(OCCCBr)C=CC=C1 AK-45305 [0,2,0,0,0,0|1,0,0]=3 914 B11R1.28 CCCCCC1=NC=CC=C1 AK116759 [0,2,0,0,0,0|0,0,0]=2 915 B11R1.28 CCCNCC1=CC=CC=C1 AK-90312 [0,2,0,0,0,0|1,0,0]=3 916 B11R1.28 ClCCCCC1=CC=NC=C1 AK101244 [0,2,0,0,0,0|2,0,0]=4 917 B11R1.28 N#CCNCC1=CC=CC=C1 AK102724 [0,2,0,0,0,0|1,0,1]=4 918 B11R1.28 NCCOCC1=CC=CC=C1 AK174588 [0,2,0,0,0,0|1,0,0]=3 919 B11R1.28 NCCSSC1=NC=CC=C1 AK117721 [0,2,0,0,0,0|1,0,0]=3 920 B11R1.28 O=CCOCC1=CC=CC=C1 AK-54919 [0,2,0,0,0,0|1,0,1]=4 921 B11R1.28 OCCC#CC1=NC=CC=C1 AK146719 [0,2,0,0,0,0|0,0,1]=3 922 B11R1.28 OCCCCC1=CC=CN=C1 AK146720 [0,2,0,0,0,0|2,0,0]=4 923 B11R1.28 OCCCCC1=CC=NC=C1 AK-83298 [0,2,0,0,0,0|2,0,0]=4 924 B11R1.28 OCCCCC1=NC=CC=C1 AK139999 [0,2,0,0,0,0|0,0,0]=2 925 B11R1.28 OCCNCC1=CC=CC=C1 AK105875 [0,2,0,0,0,0|1,0,0]=3 926 B11R1.28 OCCOCC1=CC=CC=C1 AK110808 [0,2,0,0,0,0|1,0,0]=3 927 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 AK142273 [0,2,0,0,0,0|1,0,1]=4 928 B11R1.40 O=C(NC1=NC=CC=C1)CCl AK-32350 [0,2,0,0,0,0|1,0,1]=4 929 B11R1.40 O=C(OC)CC1=CC=CC=C1 AK163377 [0,2,0,0,0,0|1,0,1]=4 930 B11R1.40 O=C(OC)CC1=NC=CN=C1 AK-45166 [0,2,0,0,0,0|1,0,1]=4 931 B11R1.40 O=C(OC)CC1=NC=NC=C1 AK-47129 [0,2,0,0,0,0|1,0,1]=4 932 B11R1.40 OCC(N)CC1=CC=CC=C1 AK-33528 [0,2,0,0,0,0|1,0,0]=3 933 B11R1.40 OC[C@@H](N)CC1=CC=CC=C1 AK-46725 [0,2,0,0,0,0|1,0,0]=3 934 B11R1.40 OC[C@H](N)CC1=CC=CC=C1 AK-45609 [0,2,0,0,0,0|1,0,0]=3 935 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 AK109324 [0,2,0,0,0,0|1,0,1]=4 936 B11R1.91 O=C(N)CCC1=CC=CC=C1 AK392491 [0,2,0,0,0,0|1,0,1]=4 937 B11R1.91 O=C(O)CCC1=CC=CC=C1 AK-94756 [0,2,0,0,0,0|1,0,1]=4 938 B11R1.91 OB(CCC1=CC=CC=C1)O AK-61775 [0,2,0,0,0,0|2,0,0]=4 939 B11R1.91 OC(=O)COC1=NC=CC=C1 AK-78666 [0,2,0,0,0,0|1,0,1]=4 940 B11R1.509 CC(OC1=NC=CC=C1)(C)C AK161535 [0,2,0,0,0,0|1,0,0]=3 941 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 AK106161 [0,2,0,0,0,0|2,0,0]=4 942 B11R1.509 C[N+](C)(CC1=CC=CC=C1)C AK-76496 [0,2,0,0,0,0|2,0,0]=4 943 B11R1.509 C[N+](CC1=CC=CC=C1)(C)C AK-44880 [0,2,0,0,0,0|2,0,0]=4 944 B9R1.14 O=CC1=CN=CN1CC AK310500 [0,0,1,1,0,0|2,0,0]=4 945 B9R2.50 C1CC2=CC=CC=C12 AK109544 [1,0,0,1,0,0|1,0,0]=3 946 B9R2.2 C1(C2CC2)=NC=CN1 AK165338 [0,0,0,1,1,0|1,0,0]=3 947 B9R2.2 C1(C2CC2)=NNC=C1 AK-40938 [0,0,0,1,1,0|1,0,0]=3 948 B9R2.2 C1CC1N2C=CC=N2 AK100282 [0,0,0,1,1,0|1,0,0]=3 949 B9R2.3 C1CN2N=CC=C2C1 AK-40480 [0,0,0,1,1,0|1,0,0]=3 950 B11R2.34 BrC1=CC=C(C=C1)C2CC2 AK-76692 [0,1,0,1,0,0|1,0,0]=3 951 B11R2.34 BrC1=CN=C(C2CC2)C=C1 AK-83540 [0,1,0,1,0,0|0,0,0]=2 952 B11R2.34 BrC1=NC=C(C2CC2)C=C1 AK131652 [0,1,0,1,0,0|2,0,0]=4 953 B11R2.34 ClC1=NN=C(C2CC2)C=C1 AK147361 [0,1,0,1,0,0|1,0,0]=3 954 B11R2.34 FC1=NC=C(C2CC2)C=C1 AK132519 [0,1,0,1,0,0|2,0,0]=4 955 B11R2.34 NC1=CC=C(C2CC2)C=C1 AK124361 [0,1,0,1,0,0|1,0,0]=3 956 B11R2.34 NC1=CC=C(C2CC2)N=C1 AK-64994 [0,1,0,1,0,0|0,0,0]=2 957 B11R2.34 NC1=CN=C(C2CC2)N=C1 AK123461 [0,1,0,1,0,0|1,0,0]=3 958 B11R2.34 NC1=NC=C(C2CC2)C=C1 AK129592 [0,1,0,1,0,0|2,0,0]=4 959 B11R2.34 O=C1C=CC(C2CC2)=CN1 AK132527 [0,1,0,1,0,0|2,0,0]=4 960 B11R2.34 O=C1C=CC(C2CC2)=NN1 AK140758 [0,1,0,1,0,0|1,0,0]=3 961 B11R2.34 OC1=CC=C(C2CC2)C=C1 AK-80032 [0,1,0,1,0,0|1,0,0]=3 962 B11R2.36 BrC1=CC2=C(C=C1)CCN2 AK-30084 [0,1,0,1,0,0|2,0,0]=4 963 B11R2.36 BrC1=CC2=C(C=C1)CCN2 AK-48733 [0,1,0,1,0,0|2,0,0]=4 964 B11R2.36 BrC1=CC2=C(CNC2)C=C1 AK-33061 [0,1,0,1,0,0|2,0,0]=4 965 B11R2.36 BrC1=CC2=C(NCC2)C=C1 AK-34182 [0,1,0,1,0,0|2,0,0]=4 966 B11R2.36 BrC1=CC=C2CCOC2=C1 AK114300 [0,1,0,1,0,0|2,0,0]=4 967 B11R2.36 BrC1=CN=C2CNCC2=C1 AK131909 [0,1,0,1,0,0|1,0,0]=3 968 B11R2.36 BrC1=CN=C2NCCC2=C1 AK-27505 [0,1,0,1,0,0|1,0,0]=3 969 B11R2.36 CC1=NC=C2CSCC2=N1 AK-84462 [0,1,0,1,0,0|2,0,0]=4 970 B11R2.36 ClC1=CC2=C(C=C1)CCN2 AK-46887 [0,1,0,1,0,0|2,0,0]=4 971 B11R2.36 ClC1=CC2=C(CNC2)C=C1 AK-68483 [0,1,0,1,0,0|2,0,0]=4 972 B11R2.36 ClC1=CC=C2C(=C1)NCC2 AK-30184 [0,1,0,1,0,0|2,0,0]=4 973 B11R2.36 ClC1=CC=C2OCCC2=C1 AK143639 [0,1,0,1,0,0|2,0,0]=4 974 B11R2.36 ClC1=CN=C2NCCC2=C1 AK156379 [0,1,0,1,0,0|1,0,0]=3 975 B11R2.36 ClC1=NC=C2C(NCC2)=N1 AK319541 [0,1,0,1,0,0|2,0,0]=4 976 B11R2.36 ClC1=NC=C2CCCC2=N1 AK362438 [0,1,0,1,0,0|1,0,0]=3 977 B11R2.36 FC1=CC2=C(CCC2)C=C1 AK105101 [0,1,0,1,0,0|1,0,0]=3 978 B11R2.36 FC1=CC2=C(CNC2)C=C1 AK-65030 [0,1,0,1,0,0|2,0,0]=4 979 B11R2.36 NC1=CC=C2OCCC2=C1 AK109466 [0,1,0,1,0,0|2,0,0]=4 980 B11R2.36 OC1=CC2=C(C=C1)CCN2 AK145623 [0,1,0,1,0,0|2,0,0]=4 981 B11R2.36 OC1=CC2=C(NCC2)C=C1 AK-60844 [0,1,0,1,0,0|2,0,0]=4 982 B11R2.10 CC1=CC2=CC=CC=C2C1 AK-79371 [0,1,0,1,0,0|1,0,1]=4 983 B11R2.10 CC1=CC2=CC=CN=C2N1 AK-25051 [0,1,0,1,0,0|1,0,1]=4 984 B11R2.10 CC1=NC2=NC=CC=C2N1 AK-39947 [0,1,0,1,0,0|1,0,1]=4 985 B11R2.10 CC1=NC2=NC=CC=C2O1 AK-30675 [0,1,0,1,0,0|1,0,1]=4 986 B11R2.10 N1C2=NC=CC=C2CC1=O AK-23546 [0,1,0,1,0,0|1,0,1]=4 987 B11R2.10 NC1CC2=C(C=CC=C2)C1 AK-51756 [0,1,0,1,0,0|1,0,0]=3 988 B11R2.10 O=C1CC2=NC=CC=C2N1 AK-39930 [0,1,0,1,0,0|1,0,1]=4 989 B11R2.10 OC1CC2=C(C=CC=C2)C1 AK-94248 [0,1,0,1,0,0|1,0,0]=3 990 B11R2.20 C12=C(CNCC1)C=CC=C2 AK-26995 [0,1,0,1,0,0|1,0,0]=3 991 B11R2.20 C12=C(N=CC=C1)CNCC2 AK-72699 [0,1,0,1,0,0|0,0,0]=2 992 B11R2.20 C12=C(N=CC=C1)CNCC2 AK128835 [0,1,0,1,0,0|0,0,0]=2 993 B11R2.20 C12=C(NCCC1)C=CC=C2 AK-26990 [0,1,0,1,0,0|1,0,0]=3 994 B11R2.20 C12=CC=CC=C1NCCO2 AK-45913 [0,1,0,1,0,0|2,0,0]=4 995 B11R2.20 C12=CC=CC=C1NCCS2 AK116388 [0,1,0,1,0,0|2,0,0]=4 996 B11R2.20 C12=CC=NC=C1CNCC2 AK-76649 [0,1,0,1,0,0|2,0,0]=4 997 B11R2.20 C12=NC=CC=C1OCCO2 AK-31936 [0,1,0,1,0,0|1,0,0]=3 998 B11R2.20 C12=NC=NC=C1CNCC2 AK-50803 [0,1,0,1,0,0|1,0,0]=3 999 B11R2.20 C12=NC=NC=C1CNCC2 AK162953 [0,1,0,1,0,0|1,0,0]=3 1000 B11R2.20 C1=C2NCCNC2=CC=C1 AK-34780 [0,1,0,1,0,0|2,0,0]=4 1001 B11R2.20 C1=CC=NC2=C1CCCC2 AK-25273 [0,1,0,1,0,0|0,0,0]=2 1002 B11R2.20 C1=NC2=C(N=C1)CCCC2 AK-34766 [0,1,0,1,0,0|1,0,0]=3 1003 B11R2.20 C1CC2=C(C=CC=C2)C=N1 AK-25112 [0,1,0,1,0,0|1,0,1]=4 1004 B11R2.20 C1CC2=CC=CC=C2CO1 AK-96680 [0,1,0,1,0,0|1,0,0]=3 1005 B11R2.20 C1CNC2=CC=CN=C2C1 AK-59103 [0,1,0,1,0,0|0,0,0]=2 1006 B11R2.20 N1=CN=CC2=C1CCNC2 AK-24594 [0,1,0,1,0,0|1,0,0]=3 1007 B11R2.20 N1CCNC2=C1C=CC=N2 AK-24566 [0,1,0,1,0,0|1,0,0]=3 1008 B11R2.55 BrC1=CN=CN=C1C2CC2 AK132493 [0,1,0,1,0,0|1,0,0]=3 1009 B11R2.55 ClC1=C(C2CC2)C=NC=C1 AK543867 [0,1,0,1,0,0|2,0,0]=4 1010 B11R2.55 FC1=NC=CC=C1C2CC2 AK131938 [0,1,0,1,0,0|2,0,0]=4 1011 B11R2.55 NC1=CC=CC=C1C2CC2 AK142855 [0,1,0,1,0,0|1,0,0]=3 1012 B11R2.55 NC1=NC=CC=C1C2CC2 AK131946 [0,1,0,1,0,0|2,0,0]=4 1013 B11R2.55 O=C1C(C2CC2)=CC=CN1 AK131947 [0,1,0,1,0,0|2,0,0]=4 1014 B11R2.106 BrC1=C2OCCC2=CC=C1 AK-49553 [0,1,0,1,0,0|2,0,0]=4 1015 B11R2.106 BrC1=CC=CC2=C1CCC2 AK126711 [0,1,0,1,0,0|1,0,0]=3 1016 B11R2.106 BrC1=CC=CC2=C1CCN2 AK-68725 [0,1,0,1,0,0|2,0,0]=4 1017 B11R2.106 BrC1=CC=CC2=C1CNC2 AK-28312 [0,1,0,1,0,0|2,0,0]=4 1018 B11R2.106 C1=CC=C(C2=C1CCC2)O AK-38453 [0,1,0,1,0,0|1,0,0]=3 1019 B11R2.106 ClC1=C2C(NCC2)=NC=N1 AK-27475 [0,1,0,1,0,0|2,0,0]=4 1020 B11R2.106 ClC1=C2CCCC2=NC=C1 AK-38590 [0,1,0,1,0,0|0,0,0]=2 1021 B11R2.106 ClC1=CC=CC2=C1CCN2 AK-35110 [0,1,0,1,0,0|2,0,0]=4 1022 B11R2.106 ClC1=CC=CC2=C1CNC2 AK-68481 [0,1,0,1,0,0|2,0,0]=4 1023 B11R2.106 ClC1=NC=NC2=C1CCC2 AK-77168 [0,1,0,1,0,0|1,0,0]=3 1024 B11R2.106 FC1=CC=CC2=C1NCC2 AK145029 [0,1,0,1,0,0|2,0,0]=4 1025 B11R2.106 IC1=CC=CC2=C1CCC2 AK138441 [0,1,0,1,0,0|1,0,0]=3 1026 B11R2.106 NC1=C2CCCC2=CC=C1 AK-72591 [0,1,0,1,0,0|1,0,0]=3 1027 B11R2.106 NC1=C2CCOC2=CC=C1 AK-83274 [0,1,0,1,0,0|2,0,0]=4 1028 B11R2.106 NC1=C2OCCC2=CC=C1 AK142017 [0,1,0,1,0,0|2,0,0]=4 1029 B11R2.106 NC1=CC=CC2=C1CNC2 AK116799 [0,1,0,1,0,0|2,0,0]=4 1030 B11R2.106 O=C1C=2CCCC2N=CN1 AK-50545 [0,1,0,1,0,0|1,0,0]=3 1031 B11R2.106 OC1=CC=CC2=C1CNC2 AK132783 [0,1,0,1,0,0|2,0,0]=4 1032 B11R2.988 OCC1C2=CC=CC=C2C1 AK550201 [0,1,0,1,0,0|1,0,0]=3 1033 B11R2.35 BrC1=CC(=CC=C1)C2CC2 AK-81509 [0,1,0,1,0,0|1,0,0]=3 1034 B11R2.35 BrC1=CC(C2CC2)=NC=C1 AK123378 [0,1,0,1,0,0|0,0,0]=2 1035 B11R2.35 NC1=CC=CC(C2CC2)=C1 AK112946 [0,1,0,1,0,0|1,0,0]=3 1036 B11R2.35 NC1=NC=NC(C2CC2)=C1 AK161513 [0,1,0,1,0,0|1,0,0]=3 1037 B11R2.1 C1=CC=CC2=C1C(CC2)=O AK-44115 [0,1,0,1,0,0|1,0,1]=4 1038 B11R2.1 CC1=C2C=CC=NC2=N[NH]1 AK-28223 [0,1,0,1,0,0|1,0,1]=4 1039 B11R2.1 CC1=CCC2=CC=CC=C12 AK-79878 [0,1,0,1,0,0|1,0,1]=4 1040 B11R2.1 CC1=CNC2=C1C=CC=N2 AK-49155 [0,1,0,1,0,0|0,0,2]=4 1041 B11R2.1 CC1CCC2=NC=CN=C21 AK116760 [0,1,0,1,0,0|1,0,0]=3 1042 B11R2.1 NC1CCC2=C1C=CC=C2 AK-44750 [0,1,0,1,0,0|1,0,0]=3 1043 B11R2.1 NC1CCC2=CC=CC=C12 AK-96028 [0,1,0,1,0,0|1,0,0]=3 1044 B11R2.1 NC1CCC2=CC=CN=C21 AK-75878 [0,1,0,1,0,0|0,0,0]=2 1045 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 AK-44891 [0,1,0,1,0,0|1,0,0]=3 1046 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 AK-89530 [0,1,0,1,0,0|1,0,0]=3 1047 B11R2.1 N[C@H]1COC2=CC=CC=C12 AK172653 [0,1,0,1,0,0|2,0,0]=4 1048 B11R2.1 O=C1CCC2=CC=CN=C21 AK-29125 [0,1,0,1,0,0|0,0,1]=3 1049 B11R2.1 O=C1NCC2=C1C=CC=N2 AK103949 [0,1,0,1,0,0|1,0,1]=4 1050 B11R2.1 O=C1OCC2=NC=CC=C12 AK-45766 [0,1,0,1,0,0|1,0,1]=4 1051 B11R2.1 OC1CCC2=C1C=CC=C2 AK151987 [0,1,0,1,0,0|1,0,0]=3 1052 B11R2.1 OC1CCC2=CC=CN=C21 AK-72486 [0,1,0,1,0,0|0,0,0]=2 1053 B11R2.4 N[C@H]1[C@H](C2=CC=CC=C2)C1 AK142856 [0,1,0,1,0,0|1,0,0]=3 1054 B11R2.40 NC1(C2=CC=CC=C2)CC1 AK-30570 [0,1,0,1,0,0|1,0,0]=3 1055 B11R2.40 NC1(C2=CC=CN=C2)CC1 AK-68608 [0,1,0,1,0,0|2,0,0]=4 1056 B11R2.239 C1(C2=CC=CC=C2)CNC1 AK-36313 [0,1,0,1,0,0|1,0,0]=3 1057 B11R2.239 C1NCC1C2=CC=CN=C2 AK103500 [0,1,0,1,0,0|2,0,0]=4 1058 B7R1.1 BrCC1=CSC=N1 AK158849 [1,0,0,0,1,0|2,0,0]=4 1059 B7R1.1 BrCC1=NC=CN1 AK142906 [1,0,0,0,1,0|2,0,0]=4 1060 B7R1.1 C1=CC=N[N]1CO AK-21910 [1,0,0,0,1,0|2,0,0]=4 1061 B7R1.1 C1=NC(=CS1)CO AK-23714 [1,0,0,0,1,0|2,0,0]=4 1062 B7R1.1 CCC1=CC=CS1 AK-76635 [1,0,0,0,1,0|1,0,0]=3 1063 B7R1.1 CCC1=NC=CN1 AK161825 [1,0,0,0,1,0|1,0,0]=3 1064 B7R1.1 CCC1=NN=CO1 AK-50871 [1,0,0,0,1,0|2,0,0]=4 1065 B7R1.1 CCC1=NNC=N1 AK124531 [1,0,0,0,1,0|2,0,0]=4 1066 B7R1.1 CCN1C=CN=C1 AK-47598 [1,0,0,0,1,0|2,0,0]=4 1067 B7R1.1 CCN1N=CC=C1 AK-39994 [1,0,0,0,1,0|1,0,0]=3 1068 B7R1.1 CNC1=NC=CS1 AK-32595 [1,0,0,0,1,0|2,0,0]=4 1069 B7R1.1 COC1=CC=CS1 AK-60885 [1,0,0,0,1,0|2,0,0]=4 1070 B7R1.1 COC1=CSC=C1 AK-60944 [1,0,0,0,1,0|2,0,0]=4 1071 B7R1.1 COC1=NC=CS1 AK-46322 [1,0,0,0,1,0|2,0,0]=4 1072 B7R1.1 ClCC1=NC=CO1 AK-33839 [1,0,0,0,1,0|2,0,0]=4 1073 B7R1.1 NCC1=CC=CN1 AK-39872 [1,0,0,0,1,0|1,0,1]=4 1074 B7R1.1 NCC1=CC=CS1 AK-46394 [1,0,0,0,1,0|2,0,0]=4 1075 B7R1.1 NCC1=CNC=C1 AK-67638 [1,0,0,0,1,0|2,0,0]=4 1076 B7R1.1 NCC1=CNC=N1 AK-33143 [1,0,0,0,1,0|2,0,0]=4 1077 B7R1.1 NCC1=CSC=C1 AK-28306 [1,0,0,0,1,0|2,0,0]=4 1078 B7R1.1 NCC1=CSC=C1 AK-48092 [1,0,0,0,1,0|2,0,0]=4 1079 B7R1.1 NCC1=NC=CO1 AK-48266 [1,0,0,0,1,0|2,0,0]=4 1080 B7R1.1 NCC1=NC=CS1 AK-26128 [1,0,0,0,1,0|2,0,0]=4 1081 B7R1.1 NCC1=NC=CS1 AK-95677 [1,0,0,0,1,0|2,0,0]=4 1082 B7R1.1 NCC1=NNC=C1 AK-25875 [1,0,0,0,1,0|2,0,0]=4 1083 B7R1.1 OCC1=CC=CS1 AK-93468 [1,0,0,0,1,0|2,0,0]=4 1084 B7R1.1 OCC1=COC=C1 AK-46116 [1,0,0,0,1,0|2,0,0]=4 1085 B7R1.1 OCC1=CSC=C1 AK-36199 [1,0,0,0,1,0|2,0,0]=4 1086 B7R1.1 OCC1=NC=CN1 AK-44944 [1,0,0,0,1,0|2,0,0]=4 1087 B7R1.1 OCC1=NC=CO1 AK-29821 [1,0,0,0,1,0|2,0,0]=4 1088 B7R1.1 OCC1=NOC=C1 AK-25087 [1,0,0,0,1,0|2,0,0]=4