0 B9R1.13 C1=NC=C[N]1CC(=O)O AK-46385 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.13 CC(C)CC1=NC=CS1 AK114248 [0,0,0,0,0,0|2,1,1]=4 2 B9R1.13 CC(NC1=CSC=C1)=O AK-78788 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.13 CN(C)C=C1C=CC=C1 AK-79365 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.13 O=C(Cl)CC1=CC=CS1 AK-76957 [0,0,0,0,0,0|1,1,0]=2 5 B9R1.13 O=C(O)CC1=CC=CO1 AK126664 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.13 O=C(O)CC1=CN=CN1 AK-35977 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.13 O=C(O)CC1=NNC=C1 AK153425 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.13 O=C(O)CN1C=CN=C1 AK-26379 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.13 O=C(O)CN1N=CC=N1 AK-35148 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.8 C1=CN=C(CCC)[NH]1 AK-49074 [1,0,0,0,0,0|2,0,1]=4 11 B8R1.8 CCCC1=NC=CS1 AK-60893 [1,0,0,0,0,0|1,1,1]=4 12 B8R1.8 CNCC1=CC=CS1 AK-16718 [1,0,0,0,0,0|1,1,0]=3 13 B8R1.8 CNCC1=CSC=C1 AK-49561 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.8 N#CCC1=CC=CS1 AK-93470 [1,0,0,0,0,0|1,1,1]=4 15 B8R1.8 NCCC1=CC=CS1 AK-44822 [1,0,0,0,0,0|1,1,1]=4 16 B8R1.8 OCCC1=CC=CS1 AK-43981 [1,0,0,0,0,0|0,1,2]=4 17 B10R1.23 NC(C(O)=O)C1=CSC=C1 AK-34933 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.23 O=C(O)[C@@H](N)C1=CSC=C1 AK117277 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.23 O=C(O)[C@H](N)C1=CC=CS1 AK162653 [0,1,0,0,0,0|1,1,0]=3 20 B10R1.54 CC(=O)NC1=CC=C(Br)S1 AK-86925 [0,1,0,0,0,0|1,1,0]=3 21 B10R1.54 CC(NC1=NNC(C)=C1)=O AK-86539 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.54 O=C(O)CC1=CSC(N)=N1 AK-92955 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.54 O=C(O)CC1=NNC(N)=C1 AK-33707 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.54 O=C(O)CN1N=CC(Br)=C1 AK124568 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.54 O=C(O)CN1N=CC(C)=C1 AK121453 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.54 O=C(O)CN1N=CC(Cl)=C1 AK121290 [0,1,0,0,0,0|3,0,0]=4 27 B10R2.2 O=C1NC2=C(C=CS2)N1 AK167547 [0,0,0,1,0,0|2,1,0]=4 28 B8R1.7 C1=C(B(O)O)OC=C1 AK-47548 [0,0,0,0,1,0|2,0,1]=4 29 B8R1.7 C1=C(C(=O)O)[NH]C=N1 AK-25282 [0,0,0,0,1,0|3,0,0]=4 30 B8R1.7 C1=COC=C1C(O)=O AK-32276 [0,0,0,0,1,0|3,0,0]=4 31 B8R1.7 C1=CSC(=N1)C(C)=O AK-46781 [0,0,0,0,1,0|1,1,0]=3 32 B8R1.7 C1=NC=C(S1)C(=O)O AK-27761 [0,0,0,0,1,0|2,1,0]=4 33 B8R1.7 CC(=O)C1=CC=CN1 AK-53458 [0,0,0,0,1,0|1,0,0]=2 34 B8R1.7 CC(=O)C1=CC=NO1 AK-68495 [0,0,0,0,1,0|1,0,0]=2 35 B8R1.7 CC(=O)C1=CSC=C1 AK-44537 [0,0,0,0,1,0|2,0,0]=3 36 B8R1.7 CC(C1=CC=CO1)C AK120816 [0,0,0,0,1,0|1,0,1]=3 37 B8R1.7 C[C@H](N)C1=CC=CO1 AK544263 [0,0,0,0,1,0|1,0,1]=3 38 B8R1.7 C[C@H](N)C1=CC=CS1 AK486945 [0,0,0,0,1,0|1,1,1]=4 39 B8R1.7 NC(=O)C1=COC=N1 AK-99961 [0,0,0,0,1,0|3,0,0]=4 40 B8R1.7 O1C=CC(=N1)C(=O)O AK-27692 [0,0,0,0,1,0|3,0,0]=4 41 B8R1.7 O=C(C1=CC=CN1)O AK-44225 [0,0,0,0,1,0|2,0,0]=3 42 B8R1.7 O=C(C1=CC=CO1)O AK-72863 [0,0,0,0,1,0|1,0,0]=2 43 B8R1.7 O=C(C1=CC=CS1)[O-] AK110095 [0,0,0,0,1,0|1,1,0]=3 44 B8R1.7 O=C(C1=CC=NO1)O AK-25596 [0,0,0,0,1,0|2,0,0]=3 45 B8R1.7 O=C(C1=CC=NS1)O AK-94814 [0,0,0,0,1,0|2,1,0]=4 46 B8R1.7 O=C(C1=CN=CO1)O AK-28732 [0,0,0,0,1,0|2,0,0]=3 47 B8R1.7 O=C(C1=CNC=C1)C AK-45953 [0,0,0,0,1,0|2,0,0]=3 48 B8R1.7 O=C(C1=CNC=N1)C AK-45163 [0,0,0,0,1,0|2,0,0]=3 49 B8R1.7 O=C(C1=COC=N1)O AK-29026 [0,0,0,0,1,0|3,0,0]=4 50 B8R1.7 O=C(C1=CSC=C1)O AK-46373 [0,0,0,0,1,0|3,0,0]=4 51 B8R1.7 O=C(C1=CSC=N1)O AK-23931 [0,0,0,0,1,0|3,0,0]=4 52 B8R1.7 O=C(C1=NC=CN1)N AK139797 [0,0,0,0,1,0|3,0,0]=4 53 B8R1.7 O=C(C1=NC=CO1)[O-] AK-93393 [0,0,0,0,1,0|2,0,0]=3 54 B8R1.7 O=C(C1=NNC=C1)N AK-27992 [0,0,0,0,1,0|3,0,0]=4 55 B8R1.7 O=C(C1=NNC=C1)O AK-29904 [0,0,0,0,1,0|3,0,0]=4 56 B8R1.7 O=[N+](C1=CC=CN1)[O-] AK-77322 [0,0,0,0,1,0|3,0,0]=4 57 B8R1.7 OC(=O)C1=CNC=C1 AK-26450 [0,0,0,0,1,0|3,0,0]=4 58 B8R1.7 S1C=C(N=C1)C(C)=O AK-39395 [0,0,0,0,1,0|2,0,0]=3 59 B8R1.7 S1C=CN=C1C(=O)O AK-21895 [0,0,0,0,1,0|2,1,0]=4 60 B8R1.7 S=C(C1=CC=CS1)N AK-40144 [0,0,0,0,1,0|1,2,0]=4 61 B8R1.7 [NH]1C=CN=C1C(=O)O AK-27693 [0,0,0,0,1,0|3,0,0]=4 62 B8R1.7 [O-]C(=O)C1=CC=CS1 AK111442 [0,0,0,0,1,0|1,1,0]=3 63 B10R1.18 C1=C(C=CN=C1)CC(C)=O AK-47657 [0,0,0,0,0,1|1,0,0]=2 64 B10R1.18 C1=C(C=CN=C1)CC(O)=O AK-45111 [0,0,0,0,0,1|2,0,0]=3 65 B10R1.18 C1=NC=CC=C1CC(O)=O AK-26036 [0,0,0,0,0,1|2,0,0]=3 66 B10R1.18 CC(CC1=NC=CC=C1)=O AK-32596 [0,0,0,0,0,1|1,0,0]=2 67 B10R1.18 CC(NC1=NC=CC=N1)=O AK137493 [0,0,0,0,0,1|2,0,0]=3 68 B10R1.18 C\C(C)=C/C1=CC=CC=C1 AK113914 [0,0,0,0,0,1|2,0,1]=4 69 B10R1.18 N1=CN=CC(=C1)CC(=O)O AK-32588 [0,0,0,0,0,1|3,0,0]=4 70 B10R1.18 N=C(N)CC1=CC=CC=C1 AK-77604 [0,0,0,0,0,1|3,0,0]=4 71 B10R1.18 O=C(N)CC1=CC=CC=C1 AK-45803 [0,0,0,0,0,1|2,0,0]=3 72 B10R1.18 O=C(N)CC1=CC=CN=C1 AK-81612 [0,0,0,0,0,1|2,0,0]=3 73 B10R1.18 O=C(N)CC1=NC=CC=N1 AK133068 [0,0,0,0,0,1|2,0,0]=3 74 B10R1.18 O=C(N)NC1=NC=CN=C1 AK321494 [0,0,0,0,0,1|3,0,0]=4 75 B10R1.18 O=C(O)CC1=CC=CN=C1 AK-26773 [0,0,0,0,0,1|2,0,0]=3 76 B10R1.18 OC(=O)CC1=CC=CC=N1 AK-45110 [0,0,0,0,0,1|2,0,0]=3 77 B10R1.66 CC(=O)OCC1=CC=CO1 AK-96694 [0,0,0,0,0,1|0,0,0]=1 78 B10R1.66 O=C(O)CCC1=CC=CN1 AK-35080 [0,0,0,0,0,1|2,0,0]=3 79 B10R1.66 O=C(O)CCC1=NC=CN1 AK-33774 [0,0,0,0,0,1|3,0,0]=4 80 B7R0.4 C\C=C\C=C\C([O-])=O AK-47286 [1,0,1,0,0,0|2,0,0]=4 81 B7R1.1 C1=C(N=CS1)C=O AK-23930 [2,0,0,0,0,0|2,0,0]=4 82 B7R1.1 C1=C(SC=C1)C=O AK-26482 [2,0,0,0,0,0|0,1,0]=3 83 B7R1.1 C1=C([NH]C=N1)C=O AK-41612 [2,0,0,0,0,0|2,0,0]=4 84 B7R1.1 C1=CN=C(C=O)[NH]1 AK-49186 [2,0,0,0,0,0|2,0,0]=4 85 B7R1.1 C1=CSC(=N1)C=O AK-46309 [2,0,0,0,0,0|1,1,0]=4 86 B7R1.1 CCC1=CC=CS1 AK-76635 [2,0,0,0,0,0|0,1,0]=3 87 B7R1.1 CCC1=NC=CN1 AK161825 [2,0,0,0,0,0|2,0,0]=4 88 B7R1.1 CCC1=NN=CO1 AK-50871 [2,0,0,0,0,0|2,0,0]=4 89 B7R1.1 CCN1N=CC=C1 AK-39994 [2,0,0,0,0,0|2,0,0]=4 90 B7R1.1 COC1=CC=CS1 AK-60885 [2,0,0,0,0,0|1,1,0]=4 91 B7R1.1 ClCC1=CN=CO1 AK143331 [2,0,0,0,0,0|2,0,0]=4 92 B7R1.1 ClCC1=NC=CO1 AK-33839 [2,0,0,0,0,0|2,0,0]=4 93 B7R1.1 NCC1=CC=CN1 AK-39872 [2,0,0,0,0,0|2,0,0]=4 94 B7R1.1 NCC1=CC=CS1 AK-46394 [2,0,0,0,0,0|1,1,0]=4 95 B7R1.1 NCC1=CN=CO1 AK-25086 [2,0,0,0,0,0|2,0,0]=4 96 B7R1.1 NCC1=NC=CO1 AK-48266 [2,0,0,0,0,0|2,0,0]=4 97 B7R1.1 O=CC1=CC=CN1 AK-25235 [2,0,0,0,0,0|1,0,0]=3 98 B7R1.1 O=CC1=CN=CS1 AK-39378 [2,0,0,0,0,0|1,1,0]=4 99 B7R1.1 O=CC1=CNC=C1 AK-36182 [2,0,0,0,0,0|2,0,0]=4 100 B7R1.1 O=CC1=CSC=C1 AK-42964 [2,0,0,0,0,0|2,0,0]=4 101 B7R1.1 OCC1=CC=CS1 AK-93468 [2,0,0,0,0,0|0,1,1]=4 102 B7R1.1 OCC1=CC=NO1 AK-68490 [2,0,0,0,0,0|1,0,1]=4 103 B7R1.1 OCC1=CN=CO1 AK-25343 [2,0,0,0,0,0|1,0,1]=4 104 B7R1.1 OCC1=NC=CO1 AK-29821 [2,0,0,0,0,0|1,0,1]=4 105 B7R1.1 [NH]1C=CC(=N1)C=O AK-25900 [2,0,0,0,0,0|2,0,0]=4 106 B9R1.7 CC1=CC=C(CCO)O1 AK684573 [1,1,0,0,0,0|0,0,2]=4 107 B9R1.7 CCCC1=CC=C(Br)S1 AK-89997 [1,1,0,0,0,0|0,1,1]=4 108 B9R1.12 CCCCC1=CC=CS1 AK142166 [1,1,0,0,0,0|0,1,1]=4 109 B9R1.12 CCOCC1=CC=CO1 AK119688 [1,1,0,0,0,0|0,0,1]=3 110 B9R1.12 O=C\C=C\C1=CC=CO1 AK-88542 [1,1,0,0,0,0|0,0,1]=3 111 B9R1.35 BrC1=CC(=CS1)C(C)=O AK-35777 [0,1,0,0,1,0|2,0,0]=4 112 B9R1.35 C1=C(N=C(S1)N)C(=O)C AK-54799 [0,1,0,0,1,0|2,0,0]=4 113 B9R1.35 C1=C(OC(=C1)Br)C(O)=O AK-35759 [0,1,0,0,1,0|1,0,0]=3 114 B9R1.35 C1=C(OC(=C1)C)C(O)=O AK-44799 [0,1,0,0,1,0|1,0,0]=3 115 B9R1.35 C1=C(ON=C1Br)C(=O)O AK-21783 [0,1,0,0,1,0|2,0,0]=4 116 B9R1.35 C1=C(SC(=C1)C(O)=O)Cl AK-29045 [0,1,0,0,1,0|1,1,0]=4 117 B9R1.35 C1=C(SC(=C1)C)C(=O)C AK-33183 [0,1,0,0,1,0|0,1,0]=3 118 B9R1.35 C1=C(SC(=C1)Cl)C(C)=O AK-47623 [0,1,0,0,1,0|0,1,0]=3 119 B9R1.35 CC(=O)C1=CC=C(C)O1 AK-77189 [0,1,0,0,1,0|0,0,0]=2 120 B9R1.35 CC(=O)C1=NC(C)=CO1 AK-80747 [0,1,0,0,1,0|1,0,0]=3 121 B9R1.35 CC(=O)C1=NOC(C)=C1 AK-47045 [0,1,0,0,1,0|2,0,0]=4 122 B9R1.35 CC(C1=CC(Cl)=CS1)=O AK-77338 [0,1,0,0,1,0|0,1,0]=3 123 B9R1.35 CC1=CC=C(N1)C(O)=O AK100045 [0,1,0,0,1,0|2,0,0]=4 124 B9R1.35 O=C(C1=CC(Br)=CN1)N AK106602 [0,1,0,0,1,0|2,0,0]=4 125 B9R1.35 O=C(C1=CC(Br)=CO1)N AK120768 [0,1,0,0,1,0|1,0,0]=3 126 B9R1.35 O=C(C1=CC(Br)=CS1)N AK-90412 [0,1,0,0,1,0|1,1,0]=4 127 B9R1.35 O=C(C1=CC(Br)=CS1)O AK-24697 [0,1,0,0,1,0|1,1,0]=4 128 B9R1.35 O=C(C1=CC(C)=NO1)O AK-29291 [0,1,0,0,1,0|2,0,0]=4 129 B9R1.35 O=C(C1=CC(O)=NO1)N AK143689 [0,1,0,0,1,0|2,0,0]=4 130 B9R1.35 O=C(C1=CC(O)=NO1)O AK-58553 [0,1,0,0,1,0|2,0,0]=4 131 B9R1.35 O=C(C1=CC=C(Br)S1)O AK-26297 [0,1,0,0,1,0|1,1,0]=4 132 B9R1.35 O=C(C1=CC=C(C)S1)O AK-25546 [0,1,0,0,1,0|1,1,0]=4 133 B9R1.35 O=C(C1=CC=C(Cl)O1)O AK-94156 [0,1,0,0,1,0|1,0,0]=3 134 B9R1.35 O=C(C1=CC=C(F)S1)O AK-35162 [0,1,0,0,1,0|1,1,0]=4 135 B9R1.35 O=C(C1=CC=C(I)S1)O AK113691 [0,1,0,0,1,0|1,1,0]=4 136 B9R1.35 O=C(C1=CN=C(C)O1)O AK-43778 [0,1,0,0,1,0|2,0,0]=4 137 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 AK-48243 [0,1,0,0,1,0|1,1,0]=4 138 B9R1.35 O=C(O)C1=CC(Br)=CO1 AK-41331 [0,1,0,0,1,0|1,0,0]=3 139 B9R1.35 O=C1NN(C(C)=O)C=C1 AK676222 [0,1,0,0,1,0|2,0,0]=4 140 B9R1.35 OC(=O)C1=CC(Br)=CN1 AK-27737 [0,1,0,0,1,0|2,0,0]=4 141 B9R1.35 OC(=O)C1=CC(Cl)=CS1 AK-89071 [0,1,0,0,1,0|1,1,0]=4 142 B9R1.35 OC(=O)C1=CC(F)=CS1 AK-29152 [0,1,0,0,1,0|1,1,0]=4 143 B9R1.35 OC(=O)C1=CC=C(Br)N1 AK100216 [0,1,0,0,1,0|2,0,0]=4 144 B9R1.41 C1=NC(=C(C(O)=O)O1)C AK-25663 [0,1,0,0,1,0|2,0,0]=4 145 B9R1.41 CC(C1=CC=CN1C)=O AK148515 [0,1,0,0,1,0|1,0,0]=3 146 B9R1.41 CC(C1=CN=CN1C)=O AK140652 [0,1,0,0,1,0|2,0,0]=4 147 B9R1.41 CC1=C(OC=C1)C(O)=O AK-89342 [0,1,0,0,1,0|1,0,0]=3 148 B9R1.41 CN1C=CN=C1C(C)=O AK-54843 [0,1,0,0,1,0|2,0,0]=4 149 B9R1.41 CN1N=CC=C1C(C)=O AK-40773 [0,1,0,0,1,0|2,0,0]=4 150 B9R1.41 FC1=C(SC=C1)C(=O)O AK-29153 [0,1,0,0,1,0|1,1,0]=4 151 B9R1.41 O=C(C1=C(Br)C=CS1)O AK-29480 [0,1,0,0,1,0|1,1,0]=4 152 B9R1.41 O=C(C1=C(C)C=CN1)O AK-36827 [0,1,0,0,1,0|2,0,0]=4 153 B9R1.41 O=C(C1=C(C)C=CS1)O AK-25644 [0,1,0,0,1,0|1,1,0]=4 154 B9R1.41 O=C(C1=C(C)C=NO1)O AK-25674 [0,1,0,0,1,0|2,0,0]=4 155 B9R1.41 O=C(C1=C(I)C=CS1)O AK167455 [0,1,0,0,1,0|1,1,0]=4 156 B9R1.41 O=C(C1=CC=CN1N)N AK-45334 [0,1,0,0,1,0|2,0,0]=4 157 B9R1.41 OC(=O)C1=C(Br)C=CO1 AK110945 [0,1,0,0,1,0|1,0,0]=3 158 B9R1.41 OC(=O)C1=C(Cl)C=CS1 AK-48375 [0,1,0,0,1,0|1,1,0]=4 159 B11R1.20 BrC1=CN=C(C=C1)CC(=O)O AK-46600 [0,1,0,0,0,1|2,0,0]=4 160 B11R1.20 C1=C(C=CC(=C1)F)CC(O)=O AK-49121 [0,1,0,0,0,1|2,0,0]=4 161 B11R1.20 C1=CC(=CC=C1CC(C)=O)F AK-50578 [0,1,0,0,0,1|1,0,0]=3 162 B11R1.20 C1=CC(=CC=C1N)CC(O)=O AK-47573 [0,1,0,0,0,1|2,0,0]=4 163 B11R1.20 CC(NC1=CC=C(C)C=C1)=O AK208638 [0,1,0,0,0,1|2,0,0]=4 164 B11R1.20 CC(NC1=CC=C(I)C=C1)=O AK115722 [0,1,0,0,0,1|2,0,0]=4 165 B11R1.20 CC(NC1=CC=C(O)N=C1)=O AK152813 [0,1,0,0,0,1|2,0,0]=4 166 B11R1.20 CC(NC1=NC=C(Br)C=C1)=O AK-32386 [0,1,0,0,0,1|2,0,0]=4 167 B11R1.20 CC(NC1=NC=C(O)C=C1)=O AK114074 [0,1,0,0,0,1|2,0,0]=4 168 B11R1.20 O=C(N)CC1=CC=C(Cl)C=C1 AK201413 [0,1,0,0,0,1|2,0,0]=4 169 B11R1.20 O=C(N)CC1=NC=C(Br)C=C1 AK141365 [0,1,0,0,0,1|2,0,0]=4 170 B11R1.20 O=C(O)CC1=CC=C(C)C=C1 AK-45538 [0,1,0,0,0,1|2,0,0]=4 171 B11R1.20 O=C(O)CC1=CC=C(Cl)N=C1 AK-48828 [0,1,0,0,0,1|2,0,0]=4 172 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 AK-45403 [0,1,0,0,0,1|2,0,0]=4 173 B11R1.20 O=C(O)CC1=CC=C(N)N=C1 AK112112 [0,1,0,0,0,1|2,0,0]=4 174 B11R1.20 O=C(O)CC1=NC=C(C)C=C1 AK139129 [0,1,0,0,0,1|2,0,0]=4 175 B11R1.20 O=C(O)CC1=NC=C(F)C=N1 AK-43706 [0,1,0,0,0,1|2,0,0]=4 176 B11R1.20 OC(=O)CC1=CC=C(Br)C=C1 AK-45378 [0,1,0,0,0,1|2,0,0]=4 177 B11R1.20 OC(=O)CC1=CC=C(Cl)C=C1 AK-76702 [0,1,0,0,0,1|2,0,0]=4 178 B11R1.20 OC(=O)CC1=CC=C(O)C=C1 AK101098 [0,1,0,0,0,1|2,0,0]=4 179 B11R1.36 C1=C(C(C(O)=O)Br)C=CC=C1 AK-47433 [0,1,0,0,0,1|2,0,0]=4 180 B11R1.36 C1=C(C(C(O)=O)C)C=CC=C1 AK-50598 [0,1,0,0,0,1|2,0,0]=4 181 B11R1.36 C1=CC=CC=C1C(C(O)=O)O AK-54084 [0,1,0,0,0,1|2,0,0]=4 182 B11R1.36 CC(C(C1=CC=CC=C1)=O)=O AK116651 [0,1,0,0,0,1|1,0,1]=4 183 B11R1.36 C[C@@H](C1=CC=CC=C1)C(O)=O AK-42526 [0,1,0,0,0,1|2,0,0]=4 184 B11R1.36 C[C@H](C1=CC=CC=C1)C(O)=O AK-42515 [0,1,0,0,0,1|2,0,0]=4 185 B11R1.36 N[C@H](C(=O)N)C1=CC=CC=C1 AK-35984 [0,1,0,0,0,1|2,0,0]=4 186 B11R1.36 O=C(Cl)[C@H](N)C1=CC=CC=C1 AK-48226 [0,1,0,0,0,1|2,0,0]=4 187 B11R1.36 O=C(N)C(O)C1=CC=CC=C1 AK198609 [0,1,0,0,0,1|2,0,0]=4 188 B11R1.36 O=C(N)[C@H](N)C1=CC=CC=C1 AK-70916 [0,1,0,0,0,1|2,0,0]=4 189 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 AK107681 [0,1,0,0,0,1|2,0,0]=4 190 B11R1.36 O=C(O)C(N)C1=CC=CC=C1 AK-46549 [0,1,0,0,0,1|2,0,0]=4 191 B11R1.36 O=C(O)[C@@H](N)C1=CC=CC=C1 AK-48119 [0,1,0,0,0,1|2,0,0]=4 192 B11R1.36 O=C(O)[C@H](N)C1=CC=CC=C1 AK-44130 [0,1,0,0,0,1|2,0,0]=4 193 B11R1.36 O=C(O)[C@H](N)C1=CC=CC=C1 AK105883 [0,1,0,0,0,1|2,0,0]=4 194 B11R1.36 [C@@H](O)(C1=CC=CC=C1)C(=O)O AK-47567 [0,1,0,0,0,1|2,0,0]=4 195 B11R1.36 [C@H](C1=CC=CC=C1)(C(O)=O)O AK-42339 [0,1,0,0,0,1|2,0,0]=4 196 B11R1.40 ClCC(=O)NC1=CC=NC=C1 AK109595 [0,1,0,0,0,1|2,0,0]=4 197 B11R1.40 NNC(=O)CC1=CC=CC=C1 AK-77117 [0,1,0,0,0,1|2,0,0]=4 198 B11R1.40 O=C(NC)CC1=CC=CN=C1 AK175433 [0,1,0,0,0,1|1,0,0]=3 199 B11R1.40 O=C(NC1=CC=CC=C1)CCl AK-95957 [0,1,0,0,0,1|2,0,0]=4 200 B11R1.40 O=C(NC1=NC=CC=C1)CCl AK-32350 [0,1,0,0,0,1|2,0,0]=4 201 B11R1.40 O=C(NN)CC1=CC=NC=C1 AK110454 [0,1,0,0,0,1|2,0,0]=4 202 B11R1.40 O=C(OC)CC1=CC=CC=C1 AK163377 [0,1,0,0,0,1|1,0,0]=3 203 B11R1.40 O=C(OC)CC1=NC=CN=C1 AK-45166 [0,1,0,0,0,1|1,0,0]=3 204 B11R1.40 O=C(OC)CC1=NC=NC=C1 AK-47129 [0,1,0,0,0,1|1,0,0]=3 205 B11R1.40 O=C(OC)OC1=CC=CC=C1 AK600729 [0,1,0,0,0,1|2,0,0]=4 206 B11R1.40 O=C(OC1=CC=CC=C1)CBr AK105971 [0,1,0,0,0,1|2,0,0]=4 207 B11R1.86 C1=C(CC(=O)C)C(=CC=C1)Br AK-47295 [0,1,0,0,0,1|1,0,0]=3 208 B11R1.86 C1=CC=CC(=C1CC(O)=O)C AK-45537 [0,1,0,0,0,1|2,0,0]=4 209 B11R1.86 C1=CC=CC(=C1CC(O)=O)O AK-47284 [0,1,0,0,0,1|2,0,0]=4 210 B11R1.86 CC(CC1=CC=CC=C1F)=O AK117069 [0,1,0,0,0,1|1,0,0]=3 211 B11R1.86 CC(NC1=CC=CC=C1N)=O AK112083 [0,1,0,0,0,1|2,0,0]=4 212 B11R1.86 CC(NC1=CC=CC=C1O)=O AK116958 [0,1,0,0,0,1|2,0,0]=4 213 B11R1.86 CC(NC1=NC=CC=C1O)=O AK124571 [0,1,0,0,0,1|2,0,0]=4 214 B11R1.86 IC1=C(C=CC=C1)CC(=O)O AK-73107 [0,1,0,0,0,1|2,0,0]=4 215 B11R1.86 NC1=NC=CC=C1CC(O)=O AK-68736 [0,1,0,0,0,1|2,0,0]=4 216 B11R1.86 O=C(O)CC1=CC=CC=C1Br AK-45376 [0,1,0,0,0,1|2,0,0]=4 217 B11R1.86 O=C(O)CC1=CC=CC=C1F AK-29262 [0,1,0,0,0,1|2,0,0]=4 218 B11R1.86 O=C(O)CC1=CC=CN=C1Cl AK139178 [0,1,0,0,0,1|2,0,0]=4 219 B11R1.86 O=C(O)CC1=NC=CC=C1Cl AK-88771 [0,1,0,0,0,1|2,0,0]=4 220 B11R1.157 C1=C(C=CC=C1Cl)CC(O)=O AK-47464 [0,1,0,0,0,1|2,0,0]=4 221 B11R1.157 C1=C(C=CC=C1F)CC(O)=O AK-72993 [0,1,0,0,0,1|2,0,0]=4 222 B11R1.157 C1=C(C=CC=C1O)CC(O)=O AK-48396 [0,1,0,0,0,1|2,0,0]=4 223 B11R1.157 CC(=O)CC1=CC(F)=CC=C1 AK-60937 [0,1,0,0,0,1|1,0,0]=3 224 B11R1.157 CC(=O)NC1=NC(=O)NC=C1 AK-96691 [0,1,0,0,0,1|2,0,0]=4 225 B11R1.157 CC(=O)NC1=NC(N)=CC=C1 AK103372 [0,1,0,0,0,1|2,0,0]=4 226 B11R1.157 CC(=O)NC1=NC=CC(N)=C1 AK-41020 [0,1,0,0,0,1|2,0,0]=4 227 B11R1.157 CC(CC1=CC=CC(Br)=C1)=O AK-94137 [0,1,0,0,0,1|1,0,0]=3 228 B11R1.157 CC(NC1=CC=CC(N)=C1)=O AK-76549 [0,1,0,0,0,1|2,0,0]=4 229 B11R1.157 CC(NC1=CC=CC(O)=C1)=O AK-84439 [0,1,0,0,0,1|2,0,0]=4 230 B11R1.157 CC(NC1=NC(Br)=CC=C1)=O AK-92376 [0,1,0,0,0,1|2,0,0]=4 231 B11R1.157 CC(NC1=NC=CC(Cl)=C1)=O AK-29058 [0,1,0,0,0,1|2,0,0]=4 232 B11R1.157 CC(OC1=CC=CC(Br)=C1)=O AK-80146 [0,1,0,0,0,1|2,0,0]=4 233 B11R1.157 CC(OC1=CC=CC(F)=C1)=O AK135677 [0,1,0,0,0,1|2,0,0]=4 234 B11R1.157 ClC1=CN=CC(=N1)CC(=O)O AK-26671 [0,1,0,0,0,1|2,0,0]=4 235 B11R1.157 ClC1=NC=CC(=C1)NC(C)=O AK-28783 [0,1,0,0,0,1|2,0,0]=4 236 B11R1.157 O=C(N)CC1=CC=CC(Cl)=C1 AK-86174 [0,1,0,0,0,1|2,0,0]=4 237 B11R1.157 O=C(N)CC1=CC=CC(N)=C1 AK124849 [0,1,0,0,0,1|2,0,0]=4 238 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 AK113021 [0,1,0,0,0,1|2,0,0]=4 239 B11R1.157 O=C(O)CC1=CC(N)=NC=C1 AK548242 [0,1,0,0,0,1|2,0,0]=4 240 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 AK-42053 [0,1,0,0,0,1|2,0,0]=4 241 B11R1.157 O=C(O)CC1=CC=CC(I)=C1 AK-61642 [0,1,0,0,0,1|2,0,0]=4 242 B11R1.157 O=C(O)CC1=NC(Br)=CC=C1 AK117142 [0,1,0,0,0,1|2,0,0]=4 243 B11R1.157 O=C(O)CC1=NC(Cl)=CC=C1 AK117649 [0,1,0,0,0,1|2,0,0]=4 244 B11R1.157 O=C(O)CC1=NC=CC(C)=C1 AK-68184 [0,1,0,0,0,1|2,0,0]=4 245 B11R1.157 O=C(O)CC1=NC=CC(Cl)=C1 AK164883 [0,1,0,0,0,1|2,0,0]=4 246 B11R1.157 O=C([O-])CC1=NC(C)=CC=C1 AK-91618 [0,1,0,0,0,1|2,0,0]=4 247 B11R1.25 O=C(OC)CCC1=CC=CN1 AK-86682 [0,1,0,0,0,1|1,0,0]=3 248 B11R1.35 O=C(O)[C@@H](N)CC1=CC=CS1 AK-91723 [0,1,0,0,0,1|1,1,0]=4 249 B11R1.35 O=C(O)[C@H](N)CC1=CC=CO1 AK112811 [0,1,0,0,0,1|1,0,0]=3 250 B11R1.77 O=C(O)C[C@@H](N)C1=CC=CS1 AK115437 [0,1,0,0,0,1|1,1,0]=4 251 B11R1.30 O=C(OCC)CC1=NNC=C1 AK320228 [0,2,0,0,0,0|2,0,0]=4 252 B11R1.30 S1C=CN=C1CC(=O)OCC AK-31363 [0,2,0,0,0,0|1,1,0]=4 253 B11R1.39 COC(=O)CC1=CSC(N)=N1 AK-91762 [0,2,0,0,0,0|2,0,0]=4 254 B11R1.39 O=C(OC)CN1N=CC(Br)=C1 AK-91876 [0,2,0,0,0,0|2,0,0]=4 255 B9R1.6 C1=C(C(C)=O)N=CC=C1 AK-53417 [0,0,1,1,0,0|1,0,1]=4 256 B11R2.10 CC1=CC2=CC=CC=C2C1 AK-79371 [0,0,0,1,0,1|2,0,0]=4 257 B11R2.10 N1C2=NC=CC=C2CC1=O AK-23546 [0,0,0,1,0,1|2,0,0]=4 258 B11R2.10 O=C1CC2=NC=CC=C2N1 AK-39930 [0,0,0,1,0,1|2,0,0]=4 259 B11R2.10 O=C1N=C2C=CC=CN2C1 AK-80162 [0,0,0,1,0,1|2,0,0]=4 260 B11R2.10 O=C1NC2=C(C1)C=CN=C2 AK-90208 [0,0,0,1,0,1|2,0,0]=4 261 B11R2.10 O=C1NC2=C(C=CC=C2)C1 AK-49964 [0,0,0,1,0,1|2,0,0]=4 262 B11R2.10 O=C1OC2=CC=CC=C2C1 AK-77806 [0,0,0,1,0,1|2,0,0]=4 263 B9R1.8 C1=C(N=CC=C1)COC AK-32294 [1,0,0,0,0,1|2,0,0]=4 264 B9R1.8 CCCC1=CC=NC=C1 AK109267 [1,0,0,0,0,1|1,0,1]=4 265 B9R1.8 CCCC1=NC=CN=C1 AK305719 [1,0,0,0,0,1|1,0,1]=4 266 B9R1.8 CNCC1=CC=CN=C1 AK-77094 [1,0,0,0,0,1|2,0,0]=4 267 B9R1.8 CNCC1=CC=NC=C1 AK-36140 [1,0,0,0,0,1|2,0,0]=4 268 B9R1.8 CNCC1=NC=CC=C1 AK-82805 [1,0,0,0,0,1|2,0,0]=4 269 B9R1.8 CNCC1=NC=CC=N1 AK-26868 [1,0,0,0,0,1|2,0,0]=4 270 B9R1.8 CNCC1=NC=CN=C1 AK-32984 [1,0,0,0,0,1|2,0,0]=4 271 B11R1.91 CC(NCC1=CN=CN=C1)=O AK147247 [0,0,0,0,0,2|2,0,0]=4 272 B11R1.91 CC(\C=C\C1=CC=CC=C1)=O AK107621 [0,0,0,0,0,2|1,0,1]=4 273 B11R1.91 NC(OCC1=CC=CC=C1)=O AK-77001 [0,0,0,0,0,2|2,0,0]=4 274 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 AK109324 [0,0,0,0,0,2|2,0,0]=4 275 B11R1.91 O=C(N)CCC1=CC=CC=C1 AK392491 [0,0,0,0,0,2|2,0,0]=4 276 B11R1.91 O=C(O)CCC1=CC=CC=C1 AK-94756 [0,0,0,0,0,2|2,0,0]=4 277 B11R1.91 O=C(O)CNC1=CC=CN=C1 AK449228 [0,0,0,0,0,2|2,0,0]=4 278 B11R1.91 O=C(O)COC1=CC=NC=C1 AK312175 [0,0,0,0,0,2|2,0,0]=4 279 B11R1.91 O=C([O-])COC1=CC=CC=C1 AK-96067 [0,0,0,0,0,2|2,0,0]=4 280 B11R1.91 OC(=O)COC1=CC=CC=C1 AK-76874 [0,0,0,0,0,2|2,0,0]=4 281 B11R1.91 OC(=O)COC1=NC=CC=C1 AK-78666 [0,0,0,0,0,2|2,0,0]=4 282 B11R1.172 OC(=O)CCCC1=CC=CS1 AK-84520 [0,0,0,0,0,2|1,1,0]=4