0 B8R1.18 CN1C(=O)CC(=N1)C AK-72987 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.18 NN1CC(=O)NC1=O AK-81573 [0,0,0,0,0,0|0,0,0]=0 2 B8R1.18 O=C1C(Br)=CC(O1)=O AK-43651 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.18 O=C1C(C)CC(O1)=O AK113612 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.18 O=C1CN(C)C(N1)=N AK113718 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.18 O=C1N(C)SC(Cl)=C1 AK128362 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.18 O=C1N[C@@H](C)C(O1)=O AK109319 [0,0,0,0,0,0|4,0,0]=4 7 B7R1.2 N1=C(SCC1=O)N AK-65159 [1,0,0,0,0,0|2,0,1]=4 8 B7R1.2 NC1=NC(=O)NN1 AK-89575 [1,0,0,0,0,0|2,0,1]=4 9 B7R1.2 N[C@@H]1COC(C1)=O AK-41710 [1,0,0,0,0,0|2,0,1]=4 10 B7R1.2 N[C@H]1COC(C1)=O AK-43928 [1,0,0,0,0,0|2,0,1]=4 11 B7R1.2 O=C1C=C(NN1)N AK-40891 [1,0,0,0,0,0|2,0,1]=4 12 B7R1.2 O=C1CC(C)=NN1 AK-28727 [1,0,0,0,0,0|3,0,0]=4 13 B7R1.2 O=C1CC(N)=NN1 AK-26757 [1,0,0,0,0,0|2,0,0]=3 14 B7R1.2 O=C1CCC(O1)=O AK139125 [1,0,0,0,0,0|2,0,0]=3 15 B7R1.2 O=C1COC(C)=C1 AK142223 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.2 O=C1N=C(N)OC1 AK-80637 [1,0,0,0,0,0|2,0,1]=4 17 B7R1.2 O=C1N=C(N)SC1 AK-65160 [1,0,0,0,0,0|2,0,1]=4 18 B7R1.2 O=C1NC(CC1)=O AK550047 [1,0,0,0,0,0|1,0,0]=2 19 B7R1.2 O=C1NC(CN1)=O AK307300 [1,0,0,0,0,0|0,0,0]=1 20 B7R1.2 O=C1NC(CO1)=O AK-80133 [1,0,0,0,0,0|1,0,0]=2 21 B7R1.2 O=C1NCC(O)C1 AK-64271 [1,0,0,0,0,0|1,0,2]=4 22 B7R1.2 O=C1NC[C@@H](N)C1 AK159176 [1,0,0,0,0,0|1,0,1]=3 23 B7R1.2 O=C1NC[C@H](O)C1 AK-34216 [1,0,0,0,0,0|1,0,2]=4 24 B7R1.2 O=C1NN(C)C=C1 AK-67583 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.2 O=C1NNC(C)=C1 AK-25972 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.2 O=C1NOC(C)=C1 AK158281 [1,0,0,0,0,0|3,0,0]=4 27 B7R1.2 O=C1OC(C)=CC1 AK601784 [1,0,0,0,0,0|3,0,0]=4 28 B7R1.2 O=C1OC[C@@H](C)N1 AK115788 [1,0,0,0,0,0|2,0,1]=4 29 B7R1.2 O=C1SCC(N1)=O AK-46286 [1,0,0,0,0,0|1,0,0]=2 30 B7R1.2 O[C@@H]1CNC(=O)C1 AK-36094 [1,0,0,0,0,0|1,0,2]=4 31 B7R1.4 NC1CONC1=O AK-87856 [1,0,0,0,0,0|2,0,0]=3 32 B7R1.4 NN1CCCC1=O AK-78653 [1,0,0,0,0,0|1,0,1]=3 33 B7R1.4 N[C@@H]1CCOC1=O AK-44454 [1,0,0,0,0,0|2,0,1]=4 34 B7R1.4 N[C@H]1CCOC1=O AK-41531 [1,0,0,0,0,0|2,0,1]=4 35 B7R1.4 O=C1C(N)CCS1 AK117085 [1,0,0,0,0,0|2,0,1]=4 36 B7R1.4 O=C1CC=NN1C AK128438 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.4 O=C1N(C)NC=C1 AK113037 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.4 O=C1N(C)SC=C1 AK682465 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.4 O=C1NC=CN1C AK317267 [1,0,0,0,0,0|1,0,1]=3 40 B7R1.4 O=C1NCCN1C AK-78526 [1,0,0,0,0,0|1,0,1]=3 41 B7R1.4 O=C1NCC[C@@H]1O AK-39196 [1,0,0,0,0,0|2,0,1]=4 42 B7R1.4 O=C1NCC[C@H]1N AK-43088 [1,0,0,0,0,0|1,0,1]=3 43 B7R1.4 O=C1NCC[C@H]1O AK-39107 [1,0,0,0,0,0|2,0,1]=4 44 B7R1.4 O=C1NOC[C@H]1N AK-26256 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.4 O=C1OCCC1N AK543042 [1,0,0,0,0,0|2,0,1]=4 46 B7R1.4 OC1CCNC1=O AK-39164 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.37 BrC1=C(Br)C(=O)NC1=O AK-32858 [0,1,0,0,0,0|2,0,1]=4 48 B9R1.37 O=C1N(C)[C@@H](C)C(O1)=O AK173849 [0,1,0,0,0,0|2,0,0]=3 49 B9R1.38 CC1(C(OC(C1)=O)=O)C AK-46649 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.38 O=C1NC(C(C)(C)N1)=O AK-44101 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.38 O=C1NC(C(O1)(C)C)=O AK130093 [0,1,0,0,0,0|3,0,0]=4 52 B7R0.2 O=C(NN)CN(C)C AK-86297 [0,0,1,0,0,0|3,0,0]=4 53 B7R0.5 C=CC[C@@H](N)C(O)=O AK-26105 [0,0,1,0,0,0|3,0,0]=4 54 B7R0.5 C=CC[C@@H](N)C(O)=O AK-70926 [0,0,1,0,0,0|3,0,0]=4 55 B7R0.5 C=CC[C@H](N)C(O)=O AK-49452 [0,0,1,0,0,0|3,0,0]=4 56 B7R0.7 O=C(OCC)CNN AK-50556 [0,0,1,0,0,0|2,0,1]=4 57 B9R2.25 O=C1OC(C2CC12)=O AK-38223 [0,0,0,1,0,0|3,0,0]=4 58 B9R1.34 CC1=CC(NC(N1)=O)=O AK-30067 [0,0,0,0,0,1|2,0,1]=4 59 B9R1.34 O=C1C=C(N)C=C(F)N1 AK198831 [0,0,0,0,0,1|2,0,1]=4 60 B9R1.34 O=C1C=C(N)NC(N1)=S AK-30278 [0,0,0,0,0,1|1,1,1]=4 61 B9R1.34 O=C1CC(NC(N1)=S)=O AK-46704 [0,0,0,0,0,1|2,1,0]=4 62 B9R1.34 O=C1NC(=S)NC(=C1)N AK-28451 [0,0,0,0,0,1|1,1,1]=4 63 B9R1.34 O=C1NC(C=C(N)N1)=O AK-36641 [0,0,0,0,0,1|1,0,1]=3 64 B9R1.34 O=C1NC(C=C(N1)Cl)=O AK-47521 [0,0,0,0,0,1|2,0,1]=4 65 B9R1.34 O=C1NC(C=C(N1)I)=O AK-51762 [0,0,0,0,0,1|2,0,1]=4 66 B9R1.34 O=C1NC(Cl)=NC(N)=C1 AK-35474 [0,0,0,0,0,1|2,0,1]=4 67 B9R1.69 C1C(N)C(=O)NC(=O)C1 AK-46561 [0,0,0,0,0,1|1,0,0]=2 68 B9R1.69 CC1=CNC(=O)N=C1N AK-49901 [0,0,0,0,0,1|3,0,0]=4 69 B9R1.69 CC1CCC(=O)NC1=O AK-80663 [0,0,0,0,0,1|2,0,0]=3 70 B9R1.69 ClC1=CC(=O)NNC1=O AK-31896 [0,0,0,0,0,1|2,0,1]=4 71 B9R1.69 O=C1C(Br)=CC(NN1)=O AK-28485 [0,0,0,0,0,1|2,0,1]=4 72 B9R1.69 O=C1C(N)=CC(Br)=CN1 AK-29644 [0,0,0,0,0,1|2,0,1]=4 73 B9R1.69 O=C1C(N)=CC(C)=CN1 AK-40029 [0,0,0,0,0,1|2,0,1]=4 74 B9R1.69 O=C1C(N)=CC(Cl)=CN1 AK-29637 [0,0,0,0,0,1|2,0,1]=4 75 B9R1.69 O=C1C(N)=CC=C(Br)N1 AK-33149 [0,0,0,0,0,1|2,0,1]=4 76 B9R1.69 O=C1C(N)=NC=C(Br)N1 AK137304 [0,0,0,0,0,1|2,0,1]=4 77 B9R1.69 O=C1C(N)=NC=C(C)N1 AK143808 [0,0,0,0,0,1|2,0,1]=4 78 B9R1.69 O=C1CC(C(CN1)C)=O AK-24495 [0,0,0,0,0,1|3,0,0]=4 79 B9R1.69 O=C1N(C)C[C@@H](C)NC1 AK188522 [0,0,0,0,0,1|2,0,1]=4 80 B9R1.69 O=C1N(C)C[C@H](C)NC1 AK188521 [0,0,0,0,0,1|2,0,1]=4 81 B9R1.69 O=C1N=C(N)C(Br)=CN1 AK-84138 [0,0,0,0,0,1|3,0,0]=4 82 B9R1.69 O=C1N=C(N)C(C)=CN1 AK106128 [0,0,0,0,0,1|3,0,0]=4 83 B9R1.69 O=C1N=C(N)C(I)=CN1 AK-49260 [0,0,0,0,0,1|3,0,0]=4 84 B9R1.69 O=C1NC(C(=CN1)Br)=O AK-46303 [0,0,0,0,0,1|2,0,1]=4 85 B9R1.69 O=C1NC(C(=CN1)Cl)=O AK-45960 [0,0,0,0,0,1|2,0,1]=4 86 B9R1.69 O=C1NC(C(=CN1)F)=O AK-46307 [0,0,0,0,0,1|2,0,1]=4 87 B9R1.69 O=C1NC(C(=CN1)I)=O AK-51522 [0,0,0,0,0,1|2,0,1]=4 88 B9R1.69 O=C1NC(C(=NN1)Br)=O AK-32585 [0,0,0,0,0,1|3,0,0]=4 89 B9R1.69 O=C1NC(C(C)=CN1)=O AK-50015 [0,0,0,0,0,1|2,0,1]=4 90 B9R1.69 O=C1NC(C(N)=CN1)=O AK-68403 [0,0,0,0,0,1|1,0,1]=3 91 B9R1.69 O=C1NC(N)=NC=C1N AK149186 [0,0,0,0,0,1|2,0,1]=4 92 B6R0.1 CCCC(NN)=O AK-95909 [1,0,1,0,0,0|1,0,1]=4 93 B6R0.1 O=C(NCC)CN AK-65785 [1,0,1,0,0,0|1,0,1]=4 94 B6R0.1 O=C(NN)COC AK110451 [1,0,1,0,0,0|2,0,0]=4 95 B6R0.2 CC(=O)NC(N)=N AK-47569 [1,0,1,0,0,0|1,0,0]=3 96 B6R0.2 CC(\C=C(N)\C)=O AK-39642 [1,0,1,0,0,0|2,0,0]=4 97 B6R0.4 O=C(N)NCCO AK121931 [1,0,1,0,0,0|0,0,2]=4 98 B6R0.3 CC[C@H](N)C(N)=O AK-49090 [1,0,1,0,0,0|1,0,1]=4 99 B6R0.3 C[C@H](N)C(NC)=O AK-90374 [1,0,1,0,0,0|1,0,1]=4 100 B6R0.3 N[C@@H](CO)C(N)=O AK-81285 [1,0,1,0,0,0|1,0,1]=4 101 B6R1.2 NN1C=CC=C1 AK-88561 [2,0,0,0,0,0|1,0,1]=4 102 B6R1.2 NN1C=CN=C1 AK187814 [2,0,0,0,0,0|0,0,2]=4 103 B6R1.2 NN1N=CC=C1 AK-31764 [2,0,0,0,0,0|2,0,0]=4 104 B6R1.2 O=C1CC=NN1 AK-90809 [2,0,0,0,0,0|2,0,0]=4 105 B6R1.2 O=C1CCNC1 AK-46584 [2,0,0,0,0,0|1,0,1]=4 106 B6R1.2 O=C1NC=CN1 AK-45238 [2,0,0,0,0,0|0,0,1]=3 107 B6R1.2 O=C1NNC=C1 AK-58738 [2,0,0,0,0,0|2,0,0]=4 108 B6R1.2 O=C1NNCC1 AK-46169 [2,0,0,0,0,0|2,0,0]=4 109 B6R1.2 O=C1NOCC1 AK122832 [2,0,0,0,0,0|2,0,0]=4 110 B6R1.2 O=C1NSC=C1 AK101140 [2,0,0,0,0,0|2,0,0]=4 111 B6R1.2 O=C1OCC=C1 AK163254 [2,0,0,0,0,0|2,0,0]=4 112 B6R1.2 O=C1OCCN1 AK-94050 [2,0,0,0,0,0|1,0,1]=4 113 B6R1.2 O=C1SCCN1 AK-89361 [2,0,0,0,0,0|1,0,1]=4 114 B6R1.2 S=C1NC=CN1 AK134899 [2,0,0,0,0,0|0,1,1]=4 115 B8R0.23 CC(CC(N(C)C)=O)=O AK129044 [0,1,1,0,0,0|2,0,0]=4 116 B8R0.23 NC(CC(N)=O)C(O)=O AK-44638 [0,1,1,0,0,0|1,0,0]=3 117 B8R0.23 N[C@@H](CC(O)=O)C(O)=O AK-81235 [0,1,1,0,0,0|2,0,0]=4 118 B8R0.23 N[C@H](CC(N)=O)C(=O)O AK-54079 [0,1,1,0,0,0|1,0,0]=3 119 B8R0.23 N[C@H](CC(O)=O)C(O)=O AK-47468 [0,1,1,0,0,0|2,0,0]=4 120 B8R0.23 O=C(O)[C@@H](N)CC(N)=O AK143332 [0,1,1,0,0,0|1,0,0]=3 121 B8R1.1 ClCC1=NNC(=O)N1 AK-72884 [1,1,0,0,0,0|2,0,0]=4 122 B8R1.1 O=C1NCC(OC)=C1 AK142161 [1,1,0,0,0,0|1,0,1]=4 123 B8R1.50 CC1C(CCC1=O)=O AK-50538 [1,1,0,0,0,0|2,0,0]=4 124 B8R1.50 CN1C(=O)CSC1=O AK-63992 [1,1,0,0,0,0|1,0,0]=3 125 B8R1.50 O=C1CCC(N1I)=O AK-76663 [1,1,0,0,0,0|1,0,0]=3 126 B8R1.50 O=C1CCC(N1O)=O AK-94009 [1,1,0,0,0,0|1,0,0]=3 127 B10R1.22 CC1C(=O)NC(=O)N=C1Cl AK-80629 [0,1,0,0,0,1|2,0,0]=4 128 B10R1.22 CN1C(=O)CC(=O)NC1=O AK-89374 [0,1,0,0,0,1|2,0,0]=4 129 B10R1.22 O=C1N(C)C(C=C(N)N1)=O AK-42163 [0,1,0,0,0,1|1,0,1]=4 130 B10R1.22 O=C1NC(C=C(N)N1C)=O AK-25653 [0,1,0,0,0,1|1,0,1]=4 131 B10R1.329 CC1(C)CC(=O)NC(=O)C1 AK-80204 [0,1,0,0,0,1|2,0,0]=4 132 B10R1.119 CN1C=CC(=O)N(C)C1=O AK-45816 [0,1,0,0,0,1|1,0,1]=4 133 B8R1.4 N1CCC(CC1=O)=O AK-23571 [0,0,1,1,0,0|2,0,0]=4 134 B8R1.4 O=C1NC(=O)CNC1 AK-26011 [0,0,1,1,0,0|1,0,0]=3 135 B8R1.4 O=C1NC(C=CN1)=O AK-86824 [0,0,1,1,0,0|1,0,1]=4 136 B8R1.4 O=C1NC(N=CN1)=O AK126672 [0,0,1,1,0,0|2,0,0]=4 137 B8R1.23 O=C(C1CC(N1)=O)O AK-40842 [0,0,1,1,0,0|2,0,0]=4 138 B6R1.5 NC1CC(=O)C1 AK-41683 [1,0,0,0,1,0|1,0,1]=4 139 B8R0.9 O=C(O)CNC(CN)=O AK-46058 [0,0,1,0,0,1|2,0,0]=4 140 B8R1.3 O=C1C=CC(N)=CN1 AK-30033 [1,0,0,0,0,1|1,0,1]=4 141 B8R1.3 O=C1CCC(=O)CC1 AK-47423 [1,0,0,0,0,1|2,0,0]=4 142 B8R1.3 O=C1CCC(C)=NN1 AK-88553 [1,0,0,0,0,1|2,0,0]=4 143 B8R1.3 O=C1NCC(N)CC1 AK132996 [1,0,0,0,0,1|1,0,1]=4 144 B8R1.3 O=C1NC[C@@H](N)CC1 AK121888 [1,0,0,0,0,1|1,0,1]=4