0 B12R2.252 O=C(C1=CN2C(SC=C2)=N1)O AK-17607 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.252 OC(=O)C1=CC2=C(CSC2)S1 AK-78613 [0,0,0,0,0,0|3,0,1]=4 2 B12R2.252 OC(=O)C1=CC2=C(S1)C=CS2 AK-63502 [0,0,0,0,0,0|1,0,0]=1 3 B12R2.252 OC(=O)C1=CN2C=CN=C2S1 AK-31307 [0,0,0,0,0,0|4,0,0]=4 4 B11R2.15 N#CC1=CC2=C(S1)C=CS2 AK-51409 [1,0,0,0,0,0|2,0,1]=4 5 B13R2.400 O=C(C1=CC2=C(C=C(C)S2)N1)O AK213334 [0,1,0,0,0,0|0,0,0]=1 6 B13R2.400 O=C(C1=CN2C(SC(Br)=C2)=N1)O AK126956 [0,1,0,0,0,0|3,0,0]=4 7 B13R2.531 O=C(C1=CC2=C(C=CS2)N1)OC AK-41151 [0,1,0,0,0,0|0,0,0]=1 8 B13R2.531 O=C(C1=CC2=CSC=C2S1)OC AK158061 [0,1,0,0,0,0|3,0,0]=4 9 B13R2.3678 O=C(C1=CC2=C(C(Br)=CS2)N1)O AK-27390 [0,1,0,0,0,0|0,0,0]=1 10 B11R1.35 O=C(O)C(N)CC1=CN=CS1 AK683578 [0,0,1,0,0,0|1,0,2]=4 11 B11R1.35 O=C(O)[C@@H](N)CC1=CC=CS1 AK-91723 [0,0,1,0,0,0|0,0,2]=3 12 B11R1.35 O=C(O)[C@H](N)CC1=CC=CO1 AK112811 [0,0,1,0,0,0|0,1,2]=4 13 B13R2.430 CC(C1=CC2=C(NC=C2)C=C1)=O AK105161 [0,0,0,0,0,1|3,0,0]=4 14 B13R2.430 O=C(C1=CC2=C(C=C1)C=CN2)O AK-25192 [0,0,0,0,0,1|2,0,0]=3 15 B13R2.430 O=C(C1=CC2=C(C=C1)C=NN2)O AK-29449 [0,0,0,0,0,1|3,0,0]=4 16 B13R2.430 O=C(C1=CC2=C(NC=C2)C=C1)O AK-28856 [0,0,0,0,0,1|2,0,0]=3 17 B13R2.430 O=C(C1=CC2=C(NN=C2)C=C1)O AK-26188 [0,0,0,0,0,1|3,0,0]=4 18 B13R2.430 O=C(C1=CC2=C(NN=C2)C=N1)O AK153355 [0,0,0,0,0,1|3,0,0]=4 19 B13R2.430 O=C(C1=CC2=C(OC=C2)C=N1)O AK-43733 [0,0,0,0,0,1|1,1,0]=3 20 B13R2.430 O=C(C1=CC=2SC=NC2C=N1)O AK173368 [0,0,0,0,0,1|1,0,1]=3 21 B13R2.430 O=C(C1=CC=C2C(SC=N2)=N1)O AK163379 [0,0,0,0,0,1|2,0,1]=4 22 B13R2.430 O=C(C1=CC=C2N=COC2=C1)O AK-72789 [0,0,0,0,0,1|2,1,0]=4 23 B13R2.430 O=C(C1=CC=C2NC=NC2=C1)O AK-27294 [0,0,0,0,0,1|3,0,0]=4 24 B13R2.430 O=C(C1=CC=C2SC=NC2=C1)O AK-28116 [0,0,0,0,0,1|2,0,0]=3 25 B13R2.430 O=C(C1=CN2C(C=C1)=NC=C2)O AK-30259 [0,0,0,0,0,1|3,0,0]=4 26 B13R2.430 O=C(C1=CN2C(C=N1)=NC=C2)O AK158190 [0,0,0,0,0,1|3,0,0]=4 27 B13R2.430 O=C(C1=CN2C(N=C1)=NC=C2)O AK-41829 [0,0,0,0,0,1|3,0,0]=4 28 B13R2.430 O=C(C1=CN=C2C(NC=C2)=C1)O AK114425 [0,0,0,0,0,1|1,0,1]=3 29 B13R2.430 O=C(C1=CN=C2NC=CC2=C1)O AK-44421 [0,0,0,0,0,1|2,0,0]=3 30 B13R2.430 O=C(C1=NN2C(C=C1)=NC=C2)O AK-36336 [0,0,0,0,0,1|2,0,1]=4 31 B13R2.430 O=[N+](C1=CC=C2C(C=CS2)=C1)[O-] AK126584 [0,0,0,0,0,1|2,0,1]=4 32 B13R2.430 OC(=O)C1=CC2=C(C=CO2)C=C1 AK-29522 [0,0,0,0,0,1|1,1,0]=3 33 B13R2.430 OC(=O)C1=CC2=C(NC=C2)C=N1 AK100626 [0,0,0,0,0,1|2,0,0]=3 34 B13R2.430 OC(=O)C1=CC2=C(NC=N2)N=C1 AK-68102 [0,0,0,0,0,1|2,0,1]=4 35 B13R2.430 OC(=O)C1=CC2=C(NN=C2)N=C1 AK-31524 [0,0,0,0,0,1|3,0,0]=4 36 B13R2.430 OC(=O)C1=CC2=C(OC=C2)C=C1 AK-29581 [0,0,0,0,0,1|1,1,0]=3 37 B13R2.430 OC(=O)C1=CC2=C(OC=N2)C=C1 AK-82316 [0,0,0,0,0,1|2,1,0]=4 38 B13R2.430 OC(=O)C1=NC2=C(C=C1)N=CN2 AK-87564 [0,0,0,0,0,1|2,0,1]=4 39 B13R2.435 C1=C(C(C)=O)SC2=C1C=CC=C2 AK-47399 [0,0,0,0,0,1|3,0,0]=4 40 B13R2.435 C1=C(C(O)=O)OC2=C1C=CC=C2 AK-29301 [0,0,0,0,0,1|2,0,0]=3 41 B13R2.435 C1=C2C(=CC=C1)[NH]C(=N2)C(=O)O AK-27807 [0,0,0,0,0,1|2,0,0]=3 42 B13R2.435 CC(C1=NC2=CC=CC=C2N1)=O AK106395 [0,0,0,0,0,1|3,0,0]=4 43 B13R2.435 N1=C2[N](C=C1C(=O)O)C=CN=C2 AK-24658 [0,0,0,0,0,1|2,0,1]=4 44 B13R2.435 NC(=O)C1=NC2=C(N1)C=CC=C2 AK-89515 [0,0,0,0,0,1|3,0,0]=4 45 B13R2.435 O=C(C1=CC2=CC=CN=C2S1)O AK161700 [0,0,0,0,0,1|2,0,0]=3 46 B13R2.435 O=C(C1=CC2=NC=CC=C2N1)O AK-68312 [0,0,0,0,0,1|1,0,0]=2 47 B13R2.435 O=C(C1=CN2C=CC=CC2=N1)O AK-30092 [0,0,0,0,0,1|2,0,1]=4 48 B13R2.435 O=C(C1NC2=C(C=CC=C2)C1)O AK-57170 [0,0,0,0,0,1|1,0,2]=4 49 B13R2.435 O=C(C=1NC2=C(C1)C=CC=C2)C AK-45604 [0,0,0,0,0,1|2,0,0]=3 50 B13R2.435 O=C(C=1NC2=C(C1)C=NC=C2)O AK-49014 [0,0,0,0,0,1|1,0,0]=2 51 B13R2.435 O=C(C=1OC2=C(C1)C=CN=C2)O AK135360 [0,0,0,0,0,1|2,0,0]=3 52 B13R2.435 OC(=O)C1=CC2=CC=CC=C2N1 AK-46085 [0,0,0,0,0,1|1,0,0]=2 53 B13R2.435 OC(=O)C1=CC2=CC=CC=C2S1 AK-27833 [0,0,0,0,0,1|2,0,0]=3 54 B13R2.435 S1C2=C(N=C1C(=O)O)C=CC=C2 AK-40963 [0,0,0,0,0,1|2,0,1]=4 55 B13R2.435 [NH]1C2=NC=CC=C2C=C1C(=O)O AK-27984 [0,0,0,0,0,1|1,0,0]=2 56 B10R1.31 O=C(C1=CC=C(C=O)O1)O AK-58389 [1,0,1,0,0,0|1,1,0]=4 57 B10R1.31 O=C(C1=CC=C(C=O)S1)O AK-35246 [1,0,1,0,0,0|1,1,0]=4 58 B10R2.2 O=C1NC2=C(C=CS2)N1 AK167547 [2,0,0,0,0,0|1,0,0]=3 59 B12R1.104 O=C(O)[C@@H](N)CC1=CC=C(Br)S1 AK114773 [0,1,1,0,0,0|0,0,2]=4 60 B12R1.104 O=C(O)[C@H](N)CC1=CC=C(Br)S1 AK114810 [0,1,1,0,0,0|0,0,2]=4 61 B12R1.298 O=C(O)\C(C#N)=C\C1=CN=CS1 AK545889 [0,1,1,0,0,0|1,0,1]=4 62 B12R1.298 O=C(O)\C(C#N)=C\C1=NC=CS1 AK545886 [0,1,1,0,0,0|1,0,1]=4 63 B14R2.601 BrC1=NC2=C(S1)C=C(C=C2)C(=O)O AK-23614 [0,1,0,0,0,1|2,0,0]=4 64 B14R2.601 C1=C(C(O)=O)C=CC2=C1SC(=N2)N AK-28025 [0,1,0,0,0,1|2,0,0]=4 65 B14R2.601 ClC1=NC2=C(S1)C=C(C=C2)C(=O)O AK-23626 [0,1,0,0,0,1|2,0,0]=4 66 B14R2.601 O=C(C1=CC2=C(C=C1)C=C(C)N2)O AK-64262 [0,1,0,0,0,1|2,0,0]=4 67 B14R2.601 O=C(C1=CC2=C(NC(C)=C2)C=C1)O AK166915 [0,1,0,0,0,1|2,0,0]=4 68 B14R2.601 O=C(C1=CC=C2SC(C)=NC2=C1)O AK-78669 [0,1,0,0,0,1|2,0,0]=4 69 B14R2.624 O=C(C1=C(F)C=C2C=COC2=C1)O AK554600 [0,1,0,0,0,1|1,1,0]=4 70 B14R2.624 OC(=O)C1=CC2=C(NC=C2)C=C1Cl AK109679 [0,1,0,0,0,1|2,0,0]=4 71 B14R2.966 COC(=O)C1=CC2=C(NC=C2)C=C1 AK-45248 [0,1,0,0,0,1|2,0,0]=4 72 B14R2.966 O=C(C1=CC2=C(C=C1)C=CN2)OC AK-25191 [0,1,0,0,0,1|2,0,0]=4 73 B14R2.966 O=C(C1=CC2=C(NC=C2)C=N1)OC AK-94003 [0,1,0,0,0,1|2,0,0]=4 74 B14R2.966 O=C(C1=CC=2NC=CC2C=N1)OC AK-59606 [0,1,0,0,0,1|1,0,1]=4 75 B14R2.966 O=C(C1=CC=C2NC=CC2=N1)OC AK-59584 [0,1,0,0,0,1|1,0,1]=4 76 B14R2.966 O=C(C1=CN=C2NC=CC2=C1)OC AK-48540 [0,1,0,0,0,1|2,0,0]=4 77 B14R2.5998 O=C(C1=CN=C2NC=CC2=C1Cl)O AK-50237 [0,1,0,0,0,1|2,0,0]=4 78 B14R2.5998 OC(=O)C1=C(F)C2=C(C=CN2)C=C1 AK-82249 [0,1,0,0,0,1|2,0,0]=4 79 B14R2.8824 O=C(C1=CC2=C(C(C)=C1)C=CN2)O AK339277 [0,1,0,0,0,1|2,0,0]=4 80 B14R2.24358 CC1=CNC2=C1C=C(C=C2)C(O)=O AK-65191 [0,1,0,0,0,1|2,0,0]=4 81 B14R2.24358 O=C(C1=CC2=C(NC=C2Br)C=C1)O AK208622 [0,1,0,0,0,1|2,0,0]=4 82 B14R2.450 C1=CC=CC2=C1[N](C)C(=C2)C(O)=O AK-29896 [0,1,0,0,0,1|1,0,0]=3 83 B14R2.450 CN1C(=NC2=C1C=CC=C2)C(O)=O AK-34031 [0,1,0,0,0,1|2,0,0]=4 84 B14R2.450 O=C(C1=C(Cl)C2=CC=CC=C2O1)O AK151086 [0,1,0,0,0,1|2,0,0]=4 85 B14R2.450 O=C(C1=C(Cl)C2=CC=CN=C2S1)O AK-31531 [0,1,0,0,0,1|2,0,0]=4 86 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 AK-68474 [0,1,0,0,0,1|1,0,0]=3 87 B14R2.972 O=C(C1=NC2=CC=CC=C2N1)OC AK-86776 [0,1,0,0,0,1|2,0,0]=4 88 B14R2.972 O=C(C=1NC2=C(C1)C=CC=C2)OC AK-81488 [0,1,0,0,0,1|1,0,0]=3 89 B14R2.4529 O=C(C1=CC2=CC(Cl)=CN=C2N1)O AK-27432 [0,1,0,0,0,1|1,0,0]=3 90 B14R2.4529 O=C(C=1NC2=C(C1)C=C(C=C2)Br)O AK-36225 [0,1,0,0,0,1|1,0,0]=3 91 B14R2.4529 O=C(C=1NC2=C(C1)C=C(C=C2)C)O AK-40726 [0,1,0,0,0,1|1,0,0]=3 92 B14R2.4529 O=C(C=1NC2=C(C1)C=C(C=C2)Cl)O AK-28711 [0,1,0,0,0,1|1,0,0]=3 93 B14R2.4529 O=C(C=1NC2=C(C1)C=C(N=C2)Br)O AK-57018 [0,1,0,0,0,1|1,0,0]=3 94 B14R2.4529 O=C(C=1NC2=C(C1)C=C(N=C2)Cl)O AK-27510 [0,1,0,0,0,1|1,0,0]=3 95 B14R2.4529 O=C(C=1NC2=C(C1)C=CC(=C2)Br)O AK-27258 [0,1,0,0,0,1|1,0,0]=3 96 B14R2.4529 O=C(C=1NC2=C(C1)C=CC(=C2)C)O AK-77187 [0,1,0,0,0,1|1,0,0]=3 97 B14R2.4529 O=C(C=1NC2=C(C1)C=CC(=C2)F)O AK-34615 [0,1,0,0,0,1|1,0,0]=3 98 B14R2.4529 O=C(C=1NC2=C(C1)C=CC(=C2)O)O AK-44665 [0,1,0,0,0,1|1,0,0]=3 99 B14R2.4529 OC(=O)C1=CC2=C(O1)C=CC(O)=C2 AK-48342 [0,1,0,0,0,1|2,0,0]=4 100 B14R2.7969 BrC1=C2[NH]C(=CC2=CC=C1)C(=O)O AK-23872 [0,1,0,0,0,1|1,0,0]=3 101 B14R2.7969 C1=C(SC2=C(Cl)C=CC=C12)C(=O)O AK-46599 [0,1,0,0,0,1|2,0,0]=4 102 B14R2.7969 ClC1=NC=NC2=C1C=C([NH]2)C(=O)O AK-27584 [0,1,0,0,0,1|2,0,0]=4 103 B14R2.7969 O=C(C1=CC2=C(Br)C=CC=C2S1)O AK134990 [0,1,0,0,0,1|2,0,0]=4 104 B14R2.7969 O=C(C1=CC2=NC=NC(Cl)=C2S1)O AK-77895 [0,1,0,0,0,1|2,0,0]=4 105 B14R2.7969 O=C(C=1NC2=C(C1)C(=CC=C2)Br)O AK-23743 [0,1,0,0,0,1|1,0,0]=3 106 B14R2.7969 O=C(C=1NC2=C(C1)C(=CC=C2)C)O AK-33829 [0,1,0,0,0,1|1,0,0]=3 107 B14R2.7969 O=C(C=1NC2=C(C1)C(=CC=C2)F)O AK-35026 [0,1,0,0,0,1|1,0,0]=3 108 B14R2.7969 O=C(C=1NC2=C(C1)C=CC=C2F)O AK-35025 [0,1,0,0,0,1|1,0,0]=3 109 B14R2.7969 OC(=O)C1=CC2=C(N1)C=NC=C2Br AK100789 [0,1,0,0,0,1|1,0,0]=3 110 B14R2.839 CCOC(=O)C1=CC2=C(N1)C=CS2 AK-23897 [0,2,0,0,0,0|0,0,0]=2 111 B14R2.10637 O=C(C1=CC2=C(C(Br)=CS2)N1)OC AK-28411 [0,2,0,0,0,0|0,0,0]=2 112 B10R1.23 NC(C(O)=O)C1=CSC=C1 AK-34933 [0,0,1,0,1,0|1,0,1]=4 113 B10R1.23 O=C(O)[C@@H](N)C1=CSC=C1 AK117277 [0,0,1,0,1,0|1,0,1]=4 114 B10R1.23 O=C(O)[C@H](N)C1=CC=CS1 AK162653 [0,0,1,0,1,0|0,0,1]=3 115 B12R1.43 C=C(CC1=CC=CC=C1)C(O)=O AK-35891 [0,0,1,0,0,1|2,0,0]=4 116 B12R1.43 O=C(O)\C(C)=C\C1=CC=CC=C1 AK114525 [0,0,1,0,0,1|2,0,0]=4 117 B12R1.125 OC(=O)C=CC1=C(F)C=CC=C1 AK-77249 [0,0,1,0,0,1|2,0,0]=4 118 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 AK-76850 [0,0,1,0,0,1|2,0,0]=4 119 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 AK-88366 [0,0,1,0,0,1|2,0,0]=4 120 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 AK-53858 [0,0,1,0,0,1|2,0,0]=4 121 B12R2.32 O=CC1=CC2=CC=CC=C2O1 AK-25961 [1,0,0,0,0,1|2,0,0]=4 122 B12R2.32 O=CC1=CC2=CC=CN=C2S1 AK298904 [1,0,0,0,0,1|2,0,0]=4 123 B12R2.32 O=CC1=NC2=CC=CC=C2N1 AK-25780 [1,0,0,0,0,1|2,0,0]=4 124 B12R2.32 OCC=1NC2=C(C1)C=CC=C2 AK-86119 [1,0,0,0,0,1|1,0,1]=4 125 B12R2.32 S1C(=CC2=C1C=CC=C2)C=O AK-42941 [1,0,0,0,0,1|2,0,0]=4 126 B12R2.44 O=CC1=CC2=C(C=C1)C=CN2 AK-45716 [1,0,0,0,0,1|2,0,0]=4 127 B12R2.44 O=CC1=CC2=C(NC=C2)C=C1 AK-45714 [1,0,0,0,0,1|2,0,0]=4 128 B12R2.44 O=CC1=CC2=C(NC=C2)C=N1 AK-89972 [1,0,0,0,0,1|2,0,0]=4 129 B12R2.44 O=CC1=CC2=C(NC=C2)N=C1 AK-79330 [1,0,0,0,0,1|2,0,0]=4 130 B12R2.44 O=CC1=CC2=C(OC=C2)C=N1 AK-43732 [1,0,0,0,0,1|1,1,0]=4 131 B12R2.44 O=CC1=CC=C2C=CSC2=C1 AK127851 [1,0,0,0,0,1|1,0,0]=3 132 B12R2.44 O=CC1=CC=C2N=CSC2=C1 AK-64307 [1,0,0,0,0,1|2,0,0]=4 133 B12R2.44 O=CC1=CC=C2OC=CC2=C1 AK-28461 [1,0,0,0,0,1|1,1,0]=4 134 B12R2.44 O=CC1=CC=C2SC=NC2=C1 AK-80151 [1,0,0,0,0,1|2,0,0]=4 135 B14R2.781 C1=C2C(=CN=C1C(O)=O)C=CC=C2 AK-26235 [0,0,0,0,0,2|1,0,1]=4 136 B14R2.781 C1=CC2=C(C=C(C=C2)C(=O)O)N=C1 AK-28074 [0,0,0,0,0,2|2,0,0]=4 137 B14R2.781 C1=CC=CC2=CC=C(N=C12)C(O)=O AK-29611 [0,0,0,0,0,2|1,0,1]=4 138 B14R2.781 C1=CC=CC2=NC=C(N=C12)C(O)=O AK-23657 [0,0,0,0,0,2|1,0,1]=4 139 B14R2.781 O=C(C1=CC2=C(C=N1)C=CC=C2)O AK-29928 [0,0,0,0,0,2|1,0,1]=4 140 B14R2.781 O=C(C1=CC2=C(C=NC=C2)C=C1)O AK-32779 [0,0,0,0,0,2|2,0,0]=4 141 B14R2.781 O=C(C1=CC2=CC=CC=C2N=C1)O AK-26223 [0,0,0,0,0,2|1,0,1]=4 142 B14R2.781 O=C(C1=CC2=CC=CN=C2N=C1)O AK113006 [0,0,0,0,0,2|1,0,1]=4 143 B14R2.781 O=C(C1=CC=C2N=CC=CC2=C1)O AK-24770 [0,0,0,0,0,2|2,0,0]=4 144 B14R2.781 O=C(C1=CC=C2N=CC=NC2=C1)O AK-36121 [0,0,0,0,0,2|2,0,0]=4 145 B14R2.781 O=C(C1=NC2=CC=NC=C2C=C1)O AK-86351 [0,0,0,0,0,2|1,0,1]=4 146 B14R2.781 O=C(C1=NC2=NC=CC=C2C=C1)O AK112896 [0,0,0,0,0,2|1,0,1]=4 147 B14R2.781 O=C(O)C1=CC=C2C=CC=CC2=C1 AK-44143 [0,0,0,0,0,2|2,0,0]=4 148 B14R2.781 OC(=O)C1=CC=C2N=CN=CC2=C1 AK-27621 [0,0,0,0,0,2|2,0,0]=4 149 B14R2.1008 OC(=O)CC1=CC2=C(C=CN2)C=C1 AK-78152 [0,0,0,0,0,2|2,0,0]=4 150 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2N1 AK-33165 [0,0,0,0,0,2|2,0,0]=4 151 B14R2.768 OC(=O)CC1=CC2=C(S1)C=CC=C2 AK-48677 [0,0,0,0,0,2|2,0,0]=4 152 B14R2.768 [NH]1C2=CC=CC=C2C=C1CC(=O)O AK-46211 [0,0,0,0,0,2|1,0,0]=3