0 B12R1.16 BrC1=CN=C(C=N1)C(=O)OCC AK-24838 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.16 BrC1=CN=C(N=C1)C(=O)OCC AK-28413 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.16 C(C)OC(=O)C1=NC=C(C=C1)Br AK-26326 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.16 C(C)OC(C1=CN=C(C=C1)Br)=O AK-25676 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.16 C(OC(=O)C1=CNC(=O)C=C1)C AK-25535 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.16 C1=C(C(OCC)=O)C=CC(=C1)Br AK-47339 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.16 C1=CC(=CC=C1C(OCC)=O)F AK-46539 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.16 CCCC(C1=CC=C(F)C=C1)=O AK324839 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.16 CCCC(C1=CC=C(O)C=C1)=O AK114518 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.16 CCOC(=O)C1=CC=C(C)N=C1 AK-47039 [0,0,0,0,0,0|2,0,0]=2 10 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 AK-29299 [0,0,0,0,0,0|2,0,0]=2 11 B12R1.16 CCOC(=O)C1=CNC(=O)N=C1 AK-48753 [0,0,0,0,0,0|3,0,0]=3 12 B12R1.16 COCC(C1=CC=C(O)C=C1)=O AK144287 [0,0,0,0,0,0|3,0,0]=3 13 B12R1.16 ClC1=NC=C(C=N1)C(=O)OCC AK-32391 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.16 ClCCC(=O)C1=CC=C(Br)C=C1 AK-48143 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.16 N#CCC(C1=CC=C(F)C=C1)=O AK-84420 [0,0,0,0,0,0|3,0,1]=4 16 B12R1.16 NC1=CN=C(C=N1)C(=O)OCC AK-24065 [0,0,0,0,0,0|2,0,0]=2 17 B12R1.16 O=C(C1=CC=C(Cl)C=C1)CC#N AK-42875 [0,0,0,0,0,0|3,0,1]=4 18 B12R1.16 O=C(C1=CN=C(C)N=C1)OCC AK-47037 [0,0,0,0,0,0|3,0,0]=3 19 B12R1.16 O=C(C1=CN=C(N)N=C1)OCC AK-50608 [0,0,0,0,0,0|2,0,0]=2 20 B12R1.16 O=C(C1=NC=C(C)N=C1)OCC AK-68294 [0,0,0,0,0,0|3,0,0]=3 21 B12R1.16 O=C(C1=NC=C(Cl)N=C1)OCC AK104858 [0,0,0,0,0,0|3,0,0]=3 22 B12R1.16 O=C(OCC)C1=CC=C(Cl)C=C1 AK109118 [0,0,0,0,0,0|1,0,0]=1 23 B12R1.16 O=C(OCC)C1=CC=C(I)C=C1 AK-43962 [0,0,0,0,0,0|1,0,0]=1 24 B12R1.16 O=C(OCC)C1=CC=C(N)C=C1 AK-46733 [0,0,0,0,0,0|0,0,0]=0 25 B12R1.16 O=C(OCC)C1=CC=C(O)C=C1 AK-49315 [0,0,0,0,0,0|1,0,0]=1 26 B12R1.16 O=C(OCC)C1=CN=C(N)C=C1 AK-32375 [0,0,0,0,0,0|1,0,0]=1 27 B12R1.16 O=C(OCC)C1=NC=C(C)C=C1 AK-68218 [0,0,0,0,0,0|2,0,0]=2 28 B12R1.16 O=C(OCC)C1=NC=C(N)C=C1 AK112557 [0,0,0,0,0,0|1,0,0]=1 29 B12R1.16 OCC[C@H](N)C1=CC=C(N)C=C1 AK310897 [0,0,0,0,0,0|3,0,1]=4 30 B11R1.1 CCCCC1=CC=C(Br)C=C1 AK-50730 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.1 CCCOC1=CC=C(O)C=C1 AK-48796 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.1 CCNCC1=CC=C(C)C=C1 AK-88644 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.1 CCOCC1=CC=C(O)C=C1 AK104357 [1,0,0,0,0,0|1,0,1]=3 34 B11R1.1 FC1=CC=C(COCC)C=C1 AK468045 [1,0,0,0,0,0|1,0,1]=3 35 B11R1.16 C1=C(C(OCC)=O)N=CC=C1 AK-48935 [1,0,0,0,0,0|1,0,0]=2 36 B11R1.16 CCCC(C1=CC=CC=C1)=O AK164430 [1,0,0,0,0,0|1,0,0]=2 37 B11R1.16 CCCC(C1=CC=CN=C1)=O AK123326 [1,0,0,0,0,0|2,0,0]=3 38 B11R1.16 CCOC(=O)C1=NC=CC=N1 AK-85955 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.16 N#CCC(C1=CC=CC=C1)=O AK-43072 [1,0,0,0,0,0|2,0,1]=4 40 B11R1.16 O=C(C1=NC=CN=C1)OCC AK-40036 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.16 O=C(OCC)C1=CC=NC=C1 AK-50699 [1,0,0,0,0,0|1,0,0]=2 42 B11R1.16 O=C(OCC)C1=CN=CC=C1 AK-88428 [1,0,0,0,0,0|1,0,0]=2 43 B11R1.16 O=C(OCCl)C1=CC=CC=C1 AK-86220 [1,0,0,0,0,0|1,0,0]=2 44 B11R1.22 BrC1=CN=C(C=N1)C(=O)OC AK-24801 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.22 C1=C(C=CC(=C1)Br)C(OC)=O AK-47340 [1,0,0,0,0,0|1,0,0]=2 46 B11R1.22 C1=C(C=CC(=C1)C)C(CBr)=O AK-73063 [1,0,0,0,0,0|2,0,0]=3 47 B11R1.22 C1=C(C=CC(=C1)Cl)C(CC)=O AK-47430 [1,0,0,0,0,0|1,0,0]=2 48 B11R1.22 C1=C(C=CC(=C1)N)C(OC)=O AK-48394 [1,0,0,0,0,0|0,0,0]=1 49 B11R1.22 C1=CC(=CN=C1C(OC)=O)Br AK-25721 [1,0,0,0,0,0|2,0,0]=3 50 B11R1.22 C1=CC(=NC=C1C(OC)=O)Cl AK-32450 [1,0,0,0,0,0|2,0,0]=3 51 B11R1.22 C1=NC(=CC=C1C(=O)OC)Br AK-27762 [1,0,0,0,0,0|2,0,0]=3 52 B11R1.22 CCC(C1=CC=C(Br)C=C1)=O AK133038 [1,0,0,0,0,0|1,0,0]=2 53 B11R1.22 CCC(C1=CC=C(Br)C=C1)N AK116183 [1,0,0,0,0,0|2,0,1]=4 54 B11R1.22 CCC(C1=CC=C(F)C=C1)=O AK-77665 [1,0,0,0,0,0|1,0,0]=2 55 B11R1.22 CCC(C1=CC=C(I)C=C1)=O AK149241 [1,0,0,0,0,0|1,0,0]=2 56 B11R1.22 CCC(C1=CC=C(O)C=C1)=O AK-44068 [1,0,0,0,0,0|1,0,0]=2 57 B11R1.22 CC[C@@H](C1=CC=C(Br)C=C1)N AK607954 [1,0,0,0,0,0|2,0,1]=4 58 B11R1.22 CC[C@@H](C1=CC=C(Cl)C=C1)N AK-53923 [1,0,0,0,0,0|2,0,1]=4 59 B11R1.22 CC[C@H](C1=CC=C(Br)C=C1)N AK172711 [1,0,0,0,0,0|2,0,1]=4 60 B11R1.22 CC[C@H](C1=CC=C(C)C=C1)N AK-93290 [1,0,0,0,0,0|2,0,1]=4 61 B11R1.22 CC[C@H](C1=CC=C(Cl)C=C1)N AK133438 [1,0,0,0,0,0|2,0,1]=4 62 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 AK-42930 [1,0,0,0,0,0|1,0,0]=2 63 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 AK-57163 [1,0,0,0,0,0|1,0,0]=2 64 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 AK-25021 [1,0,0,0,0,0|3,0,0]=4 65 B11R1.22 COC(C1=NC=C(C=N1)Br)=O AK-28412 [1,0,0,0,0,0|3,0,0]=4 66 B11R1.22 ClC1=CC=C(C(CN)=O)C=C1 AK-27718 [1,0,0,0,0,0|2,0,0]=3 67 B11R1.22 ClC1=CC=C(C=C1)C(=O)C=O AK-10005 [1,0,0,0,0,0|2,0,1]=4 68 B11R1.22 ClC1=CC=C(N=N1)C(=O)OC AK-24016 [1,0,0,0,0,0|3,0,0]=4 69 B11R1.22 ClC1=CN=C(C=N1)C(=O)OC AK-23920 [1,0,0,0,0,0|3,0,0]=4 70 B11R1.22 FC1=CC=C(C=N1)C(=O)OC AK-40001 [1,0,0,0,0,0|2,0,0]=3 71 B11R1.22 IC1=CC=C(C(CBr)=O)C=C1 AK-25760 [1,0,0,0,0,0|2,0,0]=3 72 B11R1.22 NC(C1=CC=C(F)C=C1)CC AK470003 [1,0,0,0,0,0|2,0,1]=4 73 B11R1.22 NC1=CC=C(C(C)CC)C=C1 AK-76838 [1,0,0,0,0,0|1,0,1]=3 74 B11R1.22 NC1=CN=C(C=C1)C(=O)OC AK-24592 [1,0,0,0,0,0|1,0,0]=2 75 B11R1.22 NC1=NC=C(C=N1)C(=O)OC AK-21981 [1,0,0,0,0,0|2,0,0]=3 76 B11R1.22 NCC(=O)C1=CC=C(C=C1)F AK-32227 [1,0,0,0,0,0|2,0,0]=3 77 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 AK101127 [1,0,0,0,0,0|2,0,0]=3 78 B11R1.22 NCC(C1=CC=C(Br)C=C1)=O AK-42272 [1,0,0,0,0,0|2,0,0]=3 79 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 AK-76998 [1,0,0,0,0,0|3,0,0]=4 80 B11R1.22 N[C@@H](C1=CC=C(F)C=C1)CC AK-42100 [1,0,0,0,0,0|2,0,1]=4 81 B11R1.22 N[C@H](C1=CC=C(F)C=C1)CC AK-42091 [1,0,0,0,0,0|2,0,1]=4 82 B11R1.22 O=C(C1=CC=C(Br)C=C1)CCl AK-41703 [1,0,0,0,0,0|2,0,0]=3 83 B11R1.22 O=C(C1=CC=C(F)C=C1)C=O AK-10004 [1,0,0,0,0,0|2,0,1]=4 84 B11R1.22 O=C(C1=CNC(N=C1)=O)OC AK138906 [1,0,0,0,0,0|3,0,0]=4 85 B11R1.22 O=C(C1=COC(C=C1)=O)OC AK-94193 [1,0,0,0,0,0|2,0,0]=3 86 B11R1.22 O=C(C1=NC=C(Cl)C=C1)OC AK-33121 [1,0,0,0,0,0|2,0,0]=3 87 B11R1.22 O=C(C1=NC=C(F)C=N1)OC AK128119 [1,0,0,0,0,0|3,0,0]=4 88 B11R1.22 O=C(C1=NC=C(N)N=C1)OC AK-59002 [1,0,0,0,0,0|2,0,0]=3 89 B11R1.22 O=C(C1=NC=C(O)C=C1)OC AK-48134 [1,0,0,0,0,0|2,0,0]=3 90 B11R1.22 O=C(NC)C1=CC=C(Br)C=C1 AK-86242 [1,0,0,0,0,0|2,0,0]=3 91 B11R1.22 O=C(NC)C1=CN=C(Cl)C=C1 AK-41767 [1,0,0,0,0,0|3,0,0]=4 92 B11R1.22 O=C(OC)C1=CC=C(C)C=C1 AK110414 [1,0,0,0,0,0|1,0,0]=2 93 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 AK-45398 [1,0,0,0,0,0|1,0,0]=2 94 B11R1.22 O=C(OC)C1=CC=C(I)C=C1 AK-45406 [1,0,0,0,0,0|1,0,0]=2 95 B11R1.22 O=C(OC)C1=CC=C(O)C=C1 AK-54335 [1,0,0,0,0,0|1,0,0]=2 96 B11R1.22 O=C(OC)C1=CN=C(C)C=C1 AK-28562 [1,0,0,0,0,0|2,0,0]=3 97 B11R1.22 O=C(OC)C1=CN=C(N)C=C1 AK-25008 [1,0,0,0,0,0|1,0,0]=2 98 B11R1.22 O=C(OC)C1=CN=C(O)C=C1 AK-26234 [1,0,0,0,0,0|2,0,0]=3 99 B11R1.22 O=C(OC)C1=NC=C(C)C=C1 AK-76225 [1,0,0,0,0,0|2,0,0]=3 100 B11R1.22 O=C1NN=C(C=C1)C(=O)OC AK-72777 [1,0,0,0,0,0|3,0,0]=4 101 B11R1.22 OC1=CC=C(C=C1)C(=O)CBr AK-34343 [1,0,0,0,0,0|2,0,0]=3 102 B11R1.22 OC1=CN=C(C=N1)C(=O)OC AK-24812 [1,0,0,0,0,0|3,0,0]=4 103 B13R1.17 C1=C(C=CC(=C1)O)C(CCCC)=O AK-47484 [0,1,0,0,0,0|2,0,0]=3 104 B13R1.17 CCCCC(C1=CC=C(C)C=C1)=O AK-60992 [0,1,0,0,0,0|2,0,0]=3 105 B13R1.17 O=C(C1=CC=C(Br)C=C1)CCCCl AK112424 [0,1,0,0,0,0|2,0,0]=3 106 B13R1.17 O=C(C1=CC=C(F)C=C1)CCCCl AK106983 [0,1,0,0,0,0|2,0,0]=3 107 B13R1.17 O=C(C1=CC=C(O)C=C1)CCCCl AK114574 [0,1,0,0,0,0|2,0,0]=3 108 B13R1.17 O=C(OCCC)C1=CC=C(O)C=C1 AK106260 [0,1,0,0,0,0|1,0,0]=2 109 B13R1.17 O=C(OCCO)C1=CC=C(O)C=C1 AK135792 [0,1,0,0,0,0|1,0,0]=2 110 B13R1.17 [O-]C1=CC=C(C(OCCC)=O)C=C1 AK121813 [0,1,0,0,0,0|1,0,0]=2 111 B13R1.21 CCC(Br)C(C1=CC=C(Cl)C=C1)=O AK158459 [0,1,0,0,0,0|2,0,0]=3 112 B13R1.21 CON(C)C(=O)C1=CC=C(C)C=C1 AK-94888 [0,1,0,0,0,0|3,0,0]=4 113 B13R1.21 O=C(N(OC)C)C1=CC=C(F)C=C1 AK-32924 [0,1,0,0,0,0|3,0,0]=4 114 B13R1.21 O=C(OC)C(C1=CC=C(Br)C=C1)=O AK143703 [0,1,0,0,0,0|3,0,0]=4 115 B13R1.29 O=S(C1=CC=C(C)C=C1)(OCC)=O AK198644 [0,1,0,0,0,0|2,0,0]=3 116 B13R1.29 O=S(C1=CC=C(C)C=C1)(OCF)=O AK154788 [0,1,0,0,0,0|3,0,0]=4 117 B13R1.132 O=C(OC(C)C)C1=CC=C(O)C=C1 AK116636 [0,1,0,0,0,0|1,0,0]=2 118 B13R1.452 CCOC(=O)C1=CC=C(C=O)C=C1 AK-68272 [0,1,0,0,0,0|1,0,0]=2 119 B13R1.452 O=C(C1=NC=C(OC)N=C1)OCC AK100389 [0,1,0,0,0,0|3,0,0]=4 120 B13R1.452 O=C(OCC)C1=CC=C(C#C)C=C1 AK-83790 [0,1,0,0,0,0|1,0,0]=2 121 B13R1.452 O=C(OCC)C1=CC=C(C#N)C=C1 AK-76640 [0,1,0,0,0,0|0,0,1]=2 122 B13R1.452 O=C(OCC)C1=CC=C(CN)C=C1 AK312480 [0,1,0,0,0,0|0,0,0]=1 123 B13R1.452 O=C(OCC)C1=CC=C(OC)C=C1 AK114590 [0,1,0,0,0,0|1,0,0]=2 124 B13R1.452 O=C(OCC)C1=CN=C(C#N)C=C1 AK-53949 [0,1,0,0,0,0|1,0,1]=3 125 B13R1.452 O=C(OCC)C1=CN=C(CBr)C=C1 AK-39612 [0,1,0,0,0,0|2,0,0]=3 126 B13R1.452 O=C(OCC)C1=CN=C(CN)C=C1 AK161056 [0,1,0,0,0,0|1,0,0]=2 127 B13R1.452 O=C(OCC)C1=NC=C(CO)C=C1 AK127214 [0,1,0,0,0,0|2,0,0]=3 128 B13R1.466 CCOC(=O)C1=CC(Br)=C(N)C=C1 AK110900 [0,1,0,0,0,0|0,0,0]=1 129 B13R1.466 CCOC(=O)C1=CC(F)=C(Cl)C=C1 AK104624 [0,1,0,0,0,0|1,0,0]=2 130 B13R1.466 CCOC(=O)C1=CC(O)=C(I)N=C1 AK-37988 [0,1,0,0,0,0|2,0,0]=3 131 B13R1.466 NC1=C(C=C(C(=O)OCC)C=C1)F AK-10093 [0,1,0,0,0,0|0,0,0]=1 132 B13R1.466 NC1=C(C=CC(=C1)C(=O)OCC)F AK-35238 [0,1,0,0,0,0|1,0,0]=2 133 B13R1.466 O=C(OCC)C1=CC=C(Br)C(F)=C1 AK137434 [0,1,0,0,0,0|1,0,0]=2 134 B13R1.466 O=C(OCC)C1=CC=C(Br)C(O)=C1 AK142787 [0,1,0,0,0,0|1,0,0]=2 135 B13R1.466 O=C(OCC)C1=CC=C(C)C(F)=C1 AK145970 [0,1,0,0,0,0|1,0,0]=2 136 B13R1.466 O=C(OCC)C1=CC=C(C)C(N)=C1 AK-38562 [0,1,0,0,0,0|1,0,0]=2 137 B13R1.466 O=C(OCC)C1=CC=C(Cl)C(Cl)=C1 AK177807 [0,1,0,0,0,0|1,0,0]=2 138 B13R1.466 O=C(OCC)C1=CC=C(F)C(F)=C1 AK-51251 [0,1,0,0,0,0|1,0,0]=2 139 B13R1.466 O=C(OCC)C1=CC=C(I)C(Br)=C1 AK146307 [0,1,0,0,0,0|1,0,0]=2 140 B13R1.466 O=C(OCC)C1=CC=C(N)C(Cl)=C1 AK-44773 [0,1,0,0,0,0|0,0,0]=1 141 B13R1.466 O=C(OCC)C1=CC=C(O)C(O)=C1 AK-48218 [0,1,0,0,0,0|1,0,0]=2 142 B13R1.466 O=C(OCC)C1=CN=C(C)C(N)=C1 AK123285 [0,1,0,0,0,0|2,0,0]=3 143 B13R1.466 O=C(OCC)C1=NC(Br)=C(C)C=C1 AK138647 [0,1,0,0,0,0|2,0,0]=3 144 B13R1.466 O=C(OCC)C1=NC(Cl)=C(Br)C=C1 AK100456 [0,1,0,0,0,0|2,0,0]=3 145 B13R1.466 O=C(OCC)C1=NC(Cl)=C(C)C=C1 AK109751 [0,1,0,0,0,0|2,0,0]=3 146 B13R1.466 O=C(OCC)C1=NC(O)=C(Br)C=C1 AK100463 [0,1,0,0,0,0|2,0,0]=3 147 B13R1.466 O=C(OCC)C1=NC=C(C)C(Cl)=C1 AK138861 [0,1,0,0,0,0|2,0,0]=3 148 B13R1.1511 C(OC(C1=CN=C(C)NC1=O)=O)C AK-22002 [0,1,0,0,0,0|3,0,0]=4 149 B13R1.1511 C1=C(C(=NC(=N1)Cl)Cl)C(=O)OCC AK-25105 [0,1,0,0,0,0|3,0,0]=4 150 B13R1.1511 CCCC(=O)C1=C(O)C=C(O)C=C1 AK-87537 [0,1,0,0,0,0|2,0,0]=3 151 B13R1.1511 CCOC(=O)C1=C(F)C=C(Br)C=C1 AK104625 [0,1,0,0,0,0|1,0,0]=2 152 B13R1.1511 NC1=NC(=NC=C1C(=O)OCC)Cl AK-50067 [0,1,0,0,0,0|3,0,0]=4 153 B13R1.1511 O=C(C1=CN=C(C)N=C1Cl)OCC AK-50913 [0,1,0,0,0,0|3,0,0]=4 154 B13R1.1511 O=C(C1=CN=C(C)N=C1N)OCC AK-30807 [0,1,0,0,0,0|3,0,0]=4 155 B13R1.1511 O=C(C1=CN=C(Cl)N=C1C)OCC AK-78665 [0,1,0,0,0,0|3,0,0]=4 156 B13R1.1511 O=C(C1=CN=C(N)N=C1N)OCC AK134982 [0,1,0,0,0,0|2,0,0]=3 157 B13R1.1511 O=C(C1=CN=C(N)N=C1O)OCC AK-32284 [0,1,0,0,0,0|2,0,0]=3 158 B13R1.1511 O=C(C1=CN=C(O)N=C1N)OCC AK-26664 [0,1,0,0,0,0|3,0,0]=4 159 B13R1.1511 O=C(C1=NN=C(Cl)C=C1Cl)OCC AK-50032 [0,1,0,0,0,0|3,0,0]=4 160 B13R1.1511 O=C(OCC)C1=CC=C(F)C=C1F AK-51252 [0,1,0,0,0,0|1,0,0]=2 161 B13R1.1511 O=C(OCC)C1=CC=C(F)C=C1N AK105858 [0,1,0,0,0,0|1,0,0]=2 162 B13R1.1511 O=C(OCC)C1=CN=C(Cl)C=C1Cl AK-25933 [0,1,0,0,0,0|2,0,0]=3 163 B13R1.1511 O=C(OCC)C1=CN=C(Cl)C=C1N AK-43871 [0,1,0,0,0,0|2,0,0]=3 164 B13R1.1511 O=C(OCC)C1=CN=C(O)C=C1O AK-36145 [0,1,0,0,0,0|2,0,0]=3 165 B13R2.12 N1(CCCC1)C2=CC=C(N)C=C2 AK-21973 [0,0,0,1,0,0|3,0,0]=4 166 B13R2.12 NC1=CC=C(C=C1)C2=CN=CO2 AK-32648 [0,0,0,1,0,0|2,0,1]=4 167 B13R2.12 NC1=CC=C(N2CCCC2)C=C1 AK-78670 [0,0,0,1,0,0|3,0,0]=4 168 B13R2.520 O=C(C1=CC=C(Br)C=C1)C2CC2 AK105987 [0,0,0,1,0,0|2,0,0]=3 169 B13R2.5179 ClC1=CC=C2C(=C1)OCCC2=O AK-33825 [0,0,0,1,0,0|3,0,0]=4 170 B13R2.5179 O=C1CCCC2=C1C=CC(Br)=C2 AK-30099 [0,0,0,1,0,0|2,0,0]=3 171 B13R2.5179 O=C1CCCC2=C1C=CC(C)=C2 AK153238 [0,0,0,1,0,0|2,0,0]=3 172 B13R2.5179 O=C1CCCC2=C1C=CC(Cl)=C2 AK113501 [0,0,0,1,0,0|2,0,0]=3 173 B13R2.5179 O=C1CCCC2=C1C=CC(I)=C2 AK-65229 [0,0,0,1,0,0|2,0,0]=3 174 B13R2.5179 O=C1CCCC2=C1C=CC(O)=C2 AK-29202 [0,0,0,1,0,0|2,0,0]=3 175 B13R2.5179 O=C1CCNC2=C1C=CC(Cl)=C2 AK173227 [0,0,0,1,0,0|3,0,0]=4 176 B13R2.5179 O=C1CCOC2=C1C=CC(Br)=C2 AK-28455 [0,0,0,1,0,0|3,0,0]=4 177 B13R2.5179 O=C1CCOC2=C1C=CC(C)=C2 AK201267 [0,0,0,1,0,0|3,0,0]=4 178 B13R2.5179 O=C1CCOC2=C1C=CC(F)=C2 AK-30532 [0,0,0,1,0,0|3,0,0]=4 179 B13R2.5179 O=C1CCOC2=C1C=CC(N)=C2 AK552506 [0,0,0,1,0,0|2,0,0]=3 180 B13R2.5179 O=C1NCCC2=C1C=CC(C)=C2 AK119787 [0,0,0,1,0,0|2,0,0]=3 181 B13R2.5179 O=C1NCCC2=C1C=CC(Cl)=C2 AK-25613 [0,0,0,1,0,0|2,0,0]=3 182 B13R2.5179 O=C1NCCC2=C1C=CC(O)=C2 AK-25612 [0,0,0,1,0,0|2,0,0]=3 183 B13R2.5187 C1=C(Cl)C=CC2=C1C(OC2=O)=O AK-75678 [0,0,0,1,0,0|2,0,1]=4 184 B13R2.5187 O=C1NC(C2=C1C=CC(N)=C2)=O AK116753 [0,0,0,1,0,0|2,0,1]=4 185 B13R2.5187 O=C1OC(C2=C1C=CC(Br)=C2)=O AK-76808 [0,0,0,1,0,0|2,0,1]=4 186 B13R2.5187 O=C1OC(C2=C1C=CC(O)=C2)=O AK153929 [0,0,0,1,0,0|2,0,1]=4 187 B11R1.15 BrC1=NC(=CO1)C(=O)OCC AK-28457 [0,0,0,0,1,0|3,0,0]=4 188 B11R1.15 BrC1=NC=C(O1)C(=O)OCC AK-31146 [0,0,0,0,1,0|3,0,0]=4 189 B11R1.15 BrC1=NOC(=C1)C(=O)OCC AK-21782 [0,0,0,0,1,0|3,0,0]=4 190 B11R1.15 C(OC(C1=NC(=N[NH]1)N)=O)C AK-24824 [0,0,0,0,1,0|3,0,0]=4 191 B11R1.15 C1=C(C(OCC)=O)N=C(S1)Br AK-23893 [0,0,0,0,1,0|3,0,0]=4 192 B11R1.15 C1=C(C(OCC)=O)SC(=N1)N AK-24490 [0,0,0,0,1,0|2,0,0]=3 193 B11R1.15 C1=C(C)[NH]N=C1C(OCC)=O AK-30389 [0,0,0,0,1,0|3,0,0]=4 194 B11R1.15 C1=C(N=C(C)S1)C(OCC)=O AK-35974 [0,0,0,0,1,0|3,0,0]=4 195 B11R1.15 C1=C(N=C(N)S1)C(=O)OCC AK-23891 [0,0,0,0,1,0|2,0,0]=3 196 B11R1.15 C1=C(N=C(O1)Cl)C(=O)OCC AK-22054 [0,0,0,0,1,0|3,0,0]=4 197 B11R1.15 CCOC(=O)C1=CC(Br)=CS1 AK-80911 [0,0,0,0,1,0|2,0,0]=3 198 B11R1.15 CCOC(=O)C1=CC(Cl)=CS1 AK100368 [0,0,0,0,1,0|2,0,0]=3 199 B11R1.15 CCOC(=O)C1=CC(N)=CN1 AK-28276 [0,0,0,0,1,0|1,0,0]=2 200 B11R1.15 CCOC(=O)C1=CC=C(C)N1 AK-34707 [0,0,0,0,1,0|2,0,0]=3 201 B11R1.15 CCOC(=O)C1=CN=C(C)S1 AK-28121 [0,0,0,0,1,0|3,0,0]=4 202 B11R1.15 CCOC(=O)C1=COC(C)=N1 AK-68491 [0,0,0,0,1,0|3,0,0]=4 203 B11R1.15 CCOC(=O)C1=CSC(Br)=C1 AK-63364 [0,0,0,0,1,0|2,0,0]=3 204 B11R1.15 CCOC(=O)C1=NOC(N)=C1 AK-90028 [0,0,0,0,1,0|2,0,0]=3 205 B11R1.15 ClC1=CC=C(S1)C(=O)OCC AK-35710 [0,0,0,0,1,0|2,0,0]=3 206 B11R1.15 ClC1=NC=C(S1)C(=O)OCC AK-24491 [0,0,0,0,1,0|3,0,0]=4 207 B11R1.15 O=C(C1=CC(Br)=CN1)OCC AK-28330 [0,0,0,0,1,0|2,0,0]=3 208 B11R1.15 O=C(C1=CC(C)=NO1)OCC AK-76671 [0,0,0,0,1,0|3,0,0]=4 209 B11R1.15 O=C(C1=CC(NN1)=O)OCC AK139789 [0,0,0,0,1,0|3,0,0]=4 210 B11R1.15 O=C(C1=CC=C(Br)S1)OCC AK-35711 [0,0,0,0,1,0|2,0,0]=3 211 B11R1.15 O=C(C1=CN(C)N=C1)OCC AK-75956 [0,0,0,0,1,0|3,0,0]=4 212 B11R1.15 O=C(C1=CN=C(Br)N1)OCC AK153194 [0,0,0,0,1,0|3,0,0]=4 213 B11R1.15 O=C(C1=CN=C(Br)S1)OCC AK-44741 [0,0,0,0,1,0|3,0,0]=4 214 B11R1.15 O=C(C1=CN=C(Cl)O1)OCC AK-77693 [0,0,0,0,1,0|3,0,0]=4 215 B11R1.15 O=C(C1=CN=C(N)N1)OCC AK-47615 [0,0,0,0,1,0|2,0,0]=3 216 B11R1.15 O=C(C1=CN=C(N)O1)OCC AK-45628 [0,0,0,0,1,0|2,0,0]=3 217 B11R1.15 O=C(C1=COC(I)=N1)OCC AK149488 [0,0,0,0,1,0|3,0,0]=4 218 B11R1.15 O=C(C1=COC(N)=N1)OCC AK-22052 [0,0,0,0,1,0|2,0,0]=3 219 B11R1.15 O=C(C1=CSC(Cl)=N1)OCC AK-39574 [0,0,0,0,1,0|3,0,0]=4 220 B11R1.15 O=C(C1=CSC(F)=N1)OCC AK-95283 [0,0,0,0,1,0|3,0,0]=4 221 B11R1.15 O=C(C1=NC=C(Br)N1)OCC AK121838 [0,0,0,0,1,0|3,0,0]=4 222 B11R1.15 O=C(C1=NN(C)C=C1)OCC AK135365 [0,0,0,0,1,0|3,0,0]=4 223 B11R1.15 O=C(C1=NN=C(N)S1)OCC AK-48431 [0,0,0,0,1,0|3,0,0]=4 224 B11R1.15 O=C(C1=NNC(Br)=C1)OCC AK134617 [0,0,0,0,1,0|3,0,0]=4 225 B11R1.15 O=C(C1=NNC(N)=C1)OCC AK-26947 [0,0,0,0,1,0|2,0,0]=3 226 B11R1.15 O=C(C1=NNC(O)=C1)OCC AK-78074 [0,0,0,0,1,0|3,0,0]=4 227 B13R1.19 C(C)OC(CC1=NC=C(C=N1)Br)=O AK-24270 [0,0,0,0,0,1|3,0,0]=4 228 B13R1.19 C1=C(CC(OCC)=O)C=CC(=C1)O AK-62643 [0,0,0,0,0,1|1,0,0]=2 229 B13R1.19 C1=CC(=CC=C1CC(OCC)=O)Br AK-73014 [0,0,0,0,0,1|1,0,0]=2 230 B13R1.19 C1=CC(=CC=C1CC(OCC)=O)Cl AK-45269 [0,0,0,0,0,1|1,0,0]=2 231 B13R1.19 C1=CC(=CC=C1CC(OCC)=O)F AK-35766 [0,0,0,0,0,1|1,0,0]=2 232 B13R1.19 O=C(OCC)CC1=CC=C(N)C=C1 AK-77257 [0,0,0,0,0,1|0,0,0]=1 233 B13R1.19 O=C(OCC)CC1=CC=C(N)N=C1 AK165027 [0,0,0,0,0,1|1,0,0]=2 234 B10R1.1 C1=C(C=CC(=C1)Br)OCC AK-47317 [2,0,0,0,0,0|1,0,0]=3 235 B10R1.1 C1=C(N=CC(=C1)Br)OCC AK-32436 [2,0,0,0,0,0|2,0,0]=4 236 B10R1.1 C1=CC(=NN=C1OCC)N AK-24902 [2,0,0,0,0,0|2,0,0]=4 237 B10R1.1 CCCC1=CC=C(Br)C=C1 AK-49955 [2,0,0,0,0,0|1,0,1]=4 238 B10R1.1 CCOC1=CC=C(I)C=C1 AK-46446 [2,0,0,0,0,0|1,0,0]=3 239 B10R1.1 CCOC1=CN=C(Br)C=C1 AK143369 [2,0,0,0,0,0|2,0,0]=4 240 B10R1.1 CCOC1=CN=C(Cl)C=C1 AK-88024 [2,0,0,0,0,0|2,0,0]=4 241 B10R1.1 CCOC1=CN=C(N)C=N1 AK-24225 [2,0,0,0,0,0|2,0,0]=4 242 B10R1.1 CNCC1=CC=C(N)C=C1 AK-78884 [2,0,0,0,0,0|1,0,1]=4 243 B10R1.1 FC1=CC=C(C=C1)NCC AK113245 [2,0,0,0,0,0|2,0,0]=4 244 B10R1.1 IC1=CN=C(OCC)C=C1 AK144123 [2,0,0,0,0,0|2,0,0]=4 245 B10R1.1 NC1=CC=C(CCO)C=C1 AK-47701 [2,0,0,0,0,0|1,0,1]=4 246 B10R1.1 NC1=CC=C(COC)C=C1 AK-78891 [2,0,0,0,0,0|0,0,1]=3 247 B10R1.1 NC1=NC=C(OCC)C=C1 AK-54494 [2,0,0,0,0,0|1,0,0]=3 248 B10R1.1 NCCC1=CC=C(N)C=C1 AK-45820 [2,0,0,0,0,0|1,0,1]=4 249 B10R1.1 OC1=CC=C(CCC)C=C1 AK164480 [2,0,0,0,0,0|1,0,1]=4 250 B10R1.1 OC1=CC=C(COC)C=C1 AK-42631 [2,0,0,0,0,0|1,0,1]=4 251 B10R1.1 OC1=CC=C(OCC)C=C1 AK163223 [2,0,0,0,0,0|1,0,0]=3 252 B10R1.17 CCCOC1=CC=CC=C1 AK544046 [2,0,0,0,0,0|2,0,0]=4 253 B10R1.15 C1=C(C(OC)=O)C=CN=C1 AK-46755 [2,0,0,0,0,0|1,0,0]=3 254 B10R1.15 C1=C(C(OC)=O)N=CC=C1 AK-46574 [2,0,0,0,0,0|1,0,0]=3 255 B10R1.15 C1=CC=NC=C1C(OC)=O AK-47410 [2,0,0,0,0,0|1,0,0]=3 256 B10R1.15 C1=NC=CN=C1C(OC)=O AK-47365 [2,0,0,0,0,0|2,0,0]=4 257 B10R1.15 N1=NC=C(C=C1)C(=O)OC AK-48857 [2,0,0,0,0,0|2,0,0]=4 258 B10R1.15 NCC(C1=CC=CC=C1)=O AK-26107 [2,0,0,0,0,0|1,0,0]=3 259 B10R1.15 O=C(C1=NC=CC=C1)CBr AK-44981 [2,0,0,0,0,0|2,0,0]=4 260 B10R1.15 O=C(C1=NC=CC=N1)OC AK-24352 [2,0,0,0,0,0|2,0,0]=4 261 B10R1.15 O=C(C1=NN=CC=C1)OC AK-68100 [2,0,0,0,0,0|2,0,0]=4 262 B10R1.15 O=C(NC)C1=CC=CC=C1 AK323662 [2,0,0,0,0,0|1,0,0]=3 263 B10R1.15 O=S(C1=CC=CC=C1)OC AK109245 [2,0,0,0,0,0|1,0,0]=3 264 B10R1.15 OCC(=O)C1=CC=CC=C1 AK-94786 [2,0,0,0,0,0|1,0,0]=3 265 B10R1.13 C(C)(=O)C1=CC=C(N=C1)Br AK-25404 [2,0,0,0,0,0|2,0,0]=4 266 B10R1.13 C1=C(C=NC(=C1)N)C(=O)O AK-25111 [2,0,0,0,0,0|1,0,0]=3 267 B10R1.13 C1=C(N=CC(=C1)C(C)=O)C AK-25853 [2,0,0,0,0,0|2,0,0]=4 268 B10R1.13 C1=CC(=CC=C1C(C)=O)F AK-41690 [2,0,0,0,0,0|1,0,0]=3 269 B10R1.13 C1=CC(=CC=C1C(N)=O)F AK-47676 [2,0,0,0,0,0|2,0,0]=4 270 B10R1.13 C1=CC(=CC=C1C(O)=O)Br AK-50463 [2,0,0,0,0,0|1,0,0]=3 271 B10R1.13 C1=CC(=CC=C1C(O)=O)F AK-73077 [2,0,0,0,0,0|1,0,0]=3 272 B10R1.13 C1=CC(=CN=C1C(O)=O)C AK-27814 [2,0,0,0,0,0|2,0,0]=4 273 B10R1.13 C1=NC(=CC=C1C(=O)O)F AK-25936 [2,0,0,0,0,0|2,0,0]=4 274 B10R1.13 CC(=O)C1=CC=C(N)N=C1 AK-67650 [2,0,0,0,0,0|1,0,0]=3 275 B10R1.13 CC(C1=CC=C(Br)C=C1)=O AK124422 [2,0,0,0,0,0|1,0,0]=3 276 B10R1.13 CC(C1=CC=C(C)C=C1)=O AK-41305 [2,0,0,0,0,0|1,0,0]=3 277 B10R1.13 CC(C1=CC=C(F)N=C1)=O AK-29672 [2,0,0,0,0,0|2,0,0]=4 278 B10R1.13 CC(C1=CC=C(N)C=C1)=O AK110424 [2,0,0,0,0,0|0,0,0]=2 279 B10R1.13 CC(C1=CC=C(O)C=C1)=O AK-86441 [2,0,0,0,0,0|1,0,0]=3 280 B10R1.13 CC(C1=CC=C(O)N=C1)=O AK-40333 [2,0,0,0,0,0|2,0,0]=4 281 B10R1.13 CC(C1=NC=C(Br)C=C1)=O AK-28454 [2,0,0,0,0,0|2,0,0]=4 282 B10R1.13 CC(C1=NC=C(Cl)C=C1)=O AK-77099 [2,0,0,0,0,0|2,0,0]=4 283 B10R1.13 CC(C1=NC=C(O)C=C1)=O AK116053 [2,0,0,0,0,0|2,0,0]=4 284 B10R1.13 CC(O)C1=CC=C(N)C=C1 AK109742 [2,0,0,0,0,0|0,0,2]=4 285 B10R1.13 CC1=CC=C(S(O)=O)C=C1 AK-46949 [2,0,0,0,0,0|2,0,0]=4 286 B10R1.13 ClC1=CC=C(C(C)=O)C=N1 AK-26129 [2,0,0,0,0,0|2,0,0]=4 287 B10R1.13 ClC1=CC=C(N=C1)C(=O)O AK-26702 [2,0,0,0,0,0|2,0,0]=4 288 B10R1.13 FC1=CC=C(N=C1)C(=O)O AK-28724 [2,0,0,0,0,0|2,0,0]=4 289 B10R1.13 N=C(N)C1=CC=C(N)C=C1 AK-34349 [2,0,0,0,0,0|2,0,0]=4 290 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 AK-76760 [2,0,0,0,0,0|2,0,0]=4 291 B10R1.13 NC1=CC=C(B(O)O)C=C1 AK-44817 [2,0,0,0,0,0|1,0,1]=4 292 B10R1.13 NC1=CC=C([N+]([O-])=O)C=C1 AK136006 [2,0,0,0,0,0|1,0,1]=4 293 B10R1.13 NC1=CN=C(C=C1)C(=O)O AK-25651 [2,0,0,0,0,0|1,0,0]=3 294 B10R1.13 NC1=CN=C(N=C1)C(O)=O AK-29407 [2,0,0,0,0,0|2,0,0]=4 295 B10R1.13 NC1=NC=C(N=C1)C(=O)O AK-24195 [2,0,0,0,0,0|2,0,0]=4 296 B10R1.13 O=C(C1=CN=C(N)N=C1)O AK-17303 [2,0,0,0,0,0|2,0,0]=4 297 B10R1.13 O=C(C1=NC=C(Br)C=C1)O AK-25747 [2,0,0,0,0,0|2,0,0]=4 298 B10R1.13 O=C(C1=NC=C(N)C=C1)N AK-40127 [2,0,0,0,0,0|2,0,0]=4 299 B10R1.13 O=C(C1=NN=C(N)C=C1)O AK-26163 [2,0,0,0,0,0|2,0,0]=4 300 B10R1.13 O=C(N)C1=CC=C(Cl)C=C1 AK113058 [2,0,0,0,0,0|2,0,0]=4 301 B10R1.13 O=C(N)C1=CC=C(N)C=C1 AK151254 [2,0,0,0,0,0|1,0,0]=3 302 B10R1.13 O=C(N)C1=CC=C(O)C=C1 AK151255 [2,0,0,0,0,0|2,0,0]=4 303 B10R1.13 O=C(N)C1=CN=C(N)C=C1 AK161454 [2,0,0,0,0,0|2,0,0]=4 304 B10R1.13 O=C(O)C1=CC=C(C)C=C1 AK106262 [2,0,0,0,0,0|1,0,0]=3 305 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 AK-44086 [2,0,0,0,0,0|1,0,0]=3 306 B10R1.13 O=C(O)C1=CC=C(I)C=C1 AK-73094 [2,0,0,0,0,0|1,0,0]=3 307 B10R1.13 O=C(O)C1=CC=C(N)C=C1 AK-41178 [2,0,0,0,0,0|0,0,0]=2 308 B10R1.13 O=C(O)C1=CC=C(O)C=C1 AK106263 [2,0,0,0,0,0|1,0,0]=3 309 B10R1.13 O=C(O)C1=CN=C(C)C=C1 AK-29149 [2,0,0,0,0,0|2,0,0]=4 310 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 AK-26081 [2,0,0,0,0,0|2,0,0]=4 311 B10R1.13 O=C(O)C1=CNC(C=C1)=O AK-26034 [2,0,0,0,0,0|2,0,0]=4 312 B10R1.13 O=C(O)C1=NC=C(O)C=C1 AK-24769 [2,0,0,0,0,0|2,0,0]=4 313 B10R1.13 O=C([O-])C1=CC=C(N)C=C1 AK116649 [2,0,0,0,0,0|0,0,1]=3 314 B10R1.13 O=C([O-])C1=CC=C(O)C=C1 AK306852 [2,0,0,0,0,0|1,0,1]=4 315 B10R1.13 O=C1C=CC(C(O)=O)=CO1 AK-46024 [2,0,0,0,0,0|2,0,0]=4 316 B10R1.13 O=S(C1=CC=C(C)C=C1)O AK143296 [2,0,0,0,0,0|2,0,0]=4 317 B10R1.13 OC(=O)C1=CC=C(Br)N=C1 AK-26208 [2,0,0,0,0,0|2,0,0]=4 318 B10R1.13 OC(=O)C1=NC=C(I)C=C1 AK-29144 [2,0,0,0,0,0|2,0,0]=4 319 B10R1.13 OC1=CC=C(C(C)=C)C=C1 AK117164 [2,0,0,0,0,0|2,0,0]=4 320 B12R1.1 COCCOC1=CC=C(N)C=C1 AK105500 [1,1,0,0,0,0|2,0,0]=4 321 B12R1.1 NC1=CC=C(OCCCC)C=C1 AK-51310 [1,1,0,0,0,0|1,0,1]=4 322 B12R1.17 BrC1=CC=CC(=N1)C(=O)OCC AK-25598 [1,1,0,0,0,0|1,0,0]=3 323 B12R1.17 C1=C(C(OCC)=O)C=NC=C1Br AK-25588 [1,1,0,0,0,0|1,0,0]=3 324 B12R1.17 C1=C(C=CC=C1C(OCC)=O)I AK-73125 [1,1,0,0,0,0|0,0,0]=2 325 B12R1.17 CCOC(=O)C1=CC(=O)C=CO1 AK-84626 [1,1,0,0,0,0|1,0,0]=3 326 B12R1.17 CCOC(=O)C1=CC(Br)=NC=C1 AK-29726 [1,1,0,0,0,0|1,0,0]=3 327 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=N1 AK-47261 [1,1,0,0,0,0|2,0,0]=4 328 B12R1.17 CCOC(=O)C1=CN=CC(Cl)=N1 AK104857 [1,1,0,0,0,0|2,0,0]=4 329 B12R1.17 ClC1=NC=CC(=C1)C(=O)OCC AK-29371 [1,1,0,0,0,0|1,0,0]=3 330 B12R1.17 NC1=NC(=NC=C1)C(=O)OCC AK-27285 [1,1,0,0,0,0|2,0,0]=4 331 B12R1.17 O=C(C1=CC(Cl)=NN=C1)OCC AK-39549 [1,1,0,0,0,0|2,0,0]=4 332 B12R1.17 O=C(C1=NC(Cl)=NC=C1)OCC AK-76171 [1,1,0,0,0,0|2,0,0]=4 333 B12R1.17 O=C(C=1NC=NC(C1)=O)OCC AK-82793 [1,1,0,0,0,0|2,0,0]=4 334 B12R1.17 O=C(OCC)C1=CC=CC(Cl)=C1 AK-51253 [1,1,0,0,0,0|0,0,0]=2 335 B12R1.17 O=C(OCC)C1=CC=CC(N)=C1 AK103327 [1,1,0,0,0,0|0,0,0]=2 336 B12R1.17 O=C(OCC)C1=CC=CC(O)=C1 AK-76827 [1,1,0,0,0,0|0,0,0]=2 337 B12R1.17 O=C(OCC)C1=CC=NC(N)=C1 AK-33137 [1,1,0,0,0,0|1,0,0]=3 338 B12R1.17 O=C(OCC)C1=CN=CC(C)=C1 AK-39650 [1,1,0,0,0,0|1,0,0]=3 339 B12R1.17 O=C(OCC)C1=CN=CC(O)=C1 AK-38038 [1,1,0,0,0,0|1,0,0]=3 340 B12R1.17 O=C(OCC)C1=NC(Cl)=CC=C1 AK-76189 [1,1,0,0,0,0|1,0,0]=3 341 B12R1.17 O=C(OCC)C1=NC(N)=CC=C1 AK-41615 [1,1,0,0,0,0|1,0,0]=3 342 B12R1.17 O=C(OCC)C1=NC=CC(Br)=C1 AK-28555 [1,1,0,0,0,0|1,0,0]=3 343 B12R1.17 O=C(OCC)C1=NC=CC(Cl)=C1 AK121835 [1,1,0,0,0,0|1,0,0]=3 344 B12R1.17 O=C(OCC)C1=NC=CC(N)=C1 AK133247 [1,1,0,0,0,0|1,0,0]=3 345 B12R1.30 C1=CC=NC=C1C(NCCO)=O AK-39366 [1,1,0,0,0,0|2,0,0]=4 346 B12R1.30 CNCCC(C1=CC=CC=C1)=O AK400477 [1,1,0,0,0,0|1,0,0]=3 347 B12R1.30 O=C(OCCC)C1=CC=CC=C1 AK-93452 [1,1,0,0,0,0|0,0,0]=2 348 B12R1.34 O=C(N(OC)C)C1=CC=CC=C1 AK-50042 [1,1,0,0,0,0|2,0,0]=4 349 B12R1.34 O=C(OC)C(C1=CC=CC=C1)=O AK-93755 [1,1,0,0,0,0|2,0,0]=4 350 B12R1.39 O=S(C1=CC=CC=C1)(OCC)=O AK129066 [1,1,0,0,0,0|1,0,0]=3 351 B12R1.107 CC(CC(C1=CC=CC=C1)=O)=O AK161752 [1,1,0,0,0,0|1,0,1]=4 352 B12R1.308 C(C)OC(C1=CN=CC=C1Cl)=O AK-29976 [1,1,0,0,0,0|1,0,0]=3 353 B12R1.308 C(OC(=O)C1=CN=CNC1=O)C AK-24103 [1,1,0,0,0,0|2,0,0]=4 354 B12R1.308 C1=CC=CC(=C1C(OCC)=O)F AK-46540 [1,1,0,0,0,0|0,0,0]=2 355 B12R1.308 C1=CC=NC(=C1C(OCC)=O)Cl AK-39200 [1,1,0,0,0,0|1,0,0]=3 356 B12R1.308 CCOC(=O)C1=C(C)N=CN=C1 AK-82588 [1,1,0,0,0,0|2,0,0]=4 357 B12R1.308 CCOC(=O)C1=CC=CN=C1Br AK-35509 [1,1,0,0,0,0|1,0,0]=3 358 B12R1.308 CCOC(=O)C1=CC=CN=C1C AK-25491 [1,1,0,0,0,0|1,0,0]=3 359 B12R1.308 ClC1=NC=NC=C1C(=O)OCC AK-24102 [1,1,0,0,0,0|2,0,0]=4 360 B12R1.308 NC1=C(C(=O)OCC)C=CC=N1 AK-23890 [1,1,0,0,0,0|1,0,0]=3 361 B12R1.308 NC1=C(C=CN=C1)C(=O)OCC AK-21982 [1,1,0,0,0,0|1,0,0]=3 362 B12R1.308 O=C(C1=CN=CN=C1N)OCC AK-30805 [1,1,0,0,0,0|2,0,0]=4 363 B12R1.308 O=C(C1=NC=CN=C1Cl)OCC AK-26615 [1,1,0,0,0,0|2,0,0]=4 364 B12R1.308 O=C(OCC)C1=CC=CC=C1Cl AK117233 [1,1,0,0,0,0|0,0,0]=2 365 B12R1.308 O=C(OCC)C1=CC=CC=C1I AK-94262 [1,1,0,0,0,0|0,0,0]=2 366 B12R1.308 O=C(OCC)C1=CC=CC=C1O AK114211 [1,1,0,0,0,0|0,0,0]=2 367 B12R1.308 O=C(OCC)C1=CC=NC=C1Cl AK167712 [1,1,0,0,0,0|1,0,0]=3 368 B12R1.308 O=C(OCC)C1=NC=CC=C1Br AK128513 [1,1,0,0,0,0|1,0,0]=3 369 B12R1.308 O=C(OCC)C1=NC=CC=C1N AK-76176 [1,1,0,0,0,0|1,0,0]=3 370 B12R1.308 O=C(OCC)C1=NC=CC=C1O AK126269 [1,1,0,0,0,0|1,0,0]=3 371 B12R1.5 C(=O)C1=NC=C(C(=O)OC)C=C1 AK-30222 [1,1,0,0,0,0|2,0,0]=4 372 B12R1.5 C1=C(C(OC)=O)C=CC(=C1)C=O AK-30551 [1,1,0,0,0,0|1,0,0]=3 373 B12R1.5 C1=CC(=CC=C1C(OC)=O)C#N AK-46102 [1,1,0,0,0,0|0,0,1]=3 374 B12R1.5 C1=CC(=CC=C1OC)C(OC)=O AK-46595 [1,1,0,0,0,0|1,0,0]=3 375 B12R1.5 CCC(C1=CC=C(CC)C=C1)=O AK-94191 [1,1,0,0,0,0|1,0,0]=3 376 B12R1.5 CCC1=CC=C(C=C1)C(=O)CBr AK110622 [1,1,0,0,0,0|2,0,0]=4 377 B12R1.5 COC(=O)C1=CC=C(CCl)C=C1 AK-46926 [1,1,0,0,0,0|1,0,0]=3 378 B12R1.5 COC(=O)C1=CN=C(CBr)C=C1 AK-49350 [1,1,0,0,0,0|2,0,0]=4 379 B12R1.5 COC(C1=CN=C(C=C1)CO)=O AK-23866 [1,1,0,0,0,0|2,0,0]=4 380 B12R1.5 COC1=CC=C(C(CBr)=O)C=C1 AK114282 [1,1,0,0,0,0|2,0,0]=4 381 B12R1.5 O=C(NC)C1=CC=C(OC)C=C1 AK120611 [1,1,0,0,0,0|2,0,0]=4 382 B12R1.5 O=C(OC)C1=CC=C(C#C)C=C1 AK-88481 [1,1,0,0,0,0|1,0,0]=3 383 B12R1.5 O=C(OC)C1=CC=C(CN)C=C1 AK-46915 [1,1,0,0,0,0|0,0,0]=2 384 B12R1.5 O=C(OC)C1=CC=C(NN)C=C1 AK165897 [1,1,0,0,0,0|0,0,0]=2 385 B12R1.5 O=C(OC)C1=CN=C(C#C)C=C1 AK151766 [1,1,0,0,0,0|2,0,0]=4 386 B12R1.5 O=C(OC)C1=CN=C(OC)C=C1 AK-29959 [1,1,0,0,0,0|2,0,0]=4 387 B12R1.5 O=C(OC)C1=NC=C(CBr)C=C1 AK153186 [1,1,0,0,0,0|2,0,0]=4 388 B12R1.9 CC1=CC=C(S(=O)(OC)=O)C=C1 AK-48103 [1,1,0,0,0,0|2,0,0]=4 389 B12R1.12 CCN(CC)C1=CC=C(N)C=C1 AK-48404 [1,1,0,0,0,0|2,0,0]=4 390 B12R1.20 C1=C(C(C(O)O)=O)C=CC(=C1)Br AK-10006 [1,1,0,0,0,0|2,0,0]=4 391 B12R1.20 CC(C)C(C1=CC=C(Br)C=C1)=O AK106568 [1,1,0,0,0,0|1,0,0]=3 392 B12R1.20 CC(C)C(C1=CC=C(Cl)C=C1)=O AK163961 [1,1,0,0,0,0|1,0,0]=3 393 B12R1.20 CC1=CC=C(C=C1)C(=O)C(O)O AK-10007 [1,1,0,0,0,0|2,0,0]=4 394 B12R1.367 BrC1=C(C=C(C(=O)OC)C=C1)O AK-46937 [1,1,0,0,0,0|1,0,0]=3 395 B12R1.367 C1=C(C(=CC=C1C(OC)=O)C)N AK-47538 [1,1,0,0,0,0|1,0,0]=3 396 B12R1.367 C1=C(C(=O)OC)C=NC(=C1Br)Cl AK-23917 [1,1,0,0,0,0|2,0,0]=4 397 B12R1.367 C1=C(C(OC)=O)C=CC(=C1N)N AK-49131 [1,1,0,0,0,0|0,0,0]=2 398 B12R1.367 C1=C(C=CC(=C1Br)C)C(OC)=O AK-47512 [1,1,0,0,0,0|1,0,0]=3 399 B12R1.367 C1=C(C=CC(=C1C)Br)C(OC)=O AK-32180 [1,1,0,0,0,0|1,0,0]=3 400 B12R1.367 CCC(C1=CC=C(C)C(C)=C1)=O AK-63917 [1,1,0,0,0,0|1,0,0]=3 401 B12R1.367 CCC(C1=CC=C(F)C(F)=C1)=O AK115109 [1,1,0,0,0,0|1,0,0]=3 402 B12R1.367 COC(=O)C1=CC(Br)=C(F)C=C1 AK-81963 [1,1,0,0,0,0|1,0,0]=3 403 B12R1.367 COC(=O)C1=CC(Br)=C(I)C=C1 AK-80259 [1,1,0,0,0,0|1,0,0]=3 404 B12R1.367 COC(=O)C1=CC(Br)=C(N)C=C1 AK-32787 [1,1,0,0,0,0|0,0,0]=2 405 B12R1.367 COC(=O)C1=CC(C)=C(I)C=C1 AK-26110 [1,1,0,0,0,0|1,0,0]=3 406 B12R1.367 COC(=O)C1=CC(Cl)=C(N)C=C1 AK-86922 [1,1,0,0,0,0|0,0,0]=2 407 B12R1.367 COC(=O)C1=CC(I)=C(N)C=C1 AK-61655 [1,1,0,0,0,0|0,0,0]=2 408 B12R1.367 COC(=O)C1=CC(O)=C(Cl)C=C1 AK-76886 [1,1,0,0,0,0|1,0,0]=3 409 B12R1.367 COC(=O)C1=COC(=O)C(Br)=C1 AK111325 [1,1,0,0,0,0|2,0,0]=4 410 B12R1.367 COC(C1=CC(=C(C=C1)Cl)F)=O AK-39900 [1,1,0,0,0,0|1,0,0]=3 411 B12R1.367 ClC1=C(C=CC(=C1)C(=O)OC)F AK-72962 [1,1,0,0,0,0|1,0,0]=3 412 B12R1.367 ClC1=CC=C(C(CBr)=O)C=C1Cl AK-46858 [1,1,0,0,0,0|2,0,0]=4 413 B12R1.367 FC1=C(C=C(C(=O)OC)C=C1)C AK-46648 [1,1,0,0,0,0|1,0,0]=3 414 B12R1.367 NC1=C(C=CC(=C1)C(=O)OC)Br AK-35256 [1,1,0,0,0,0|1,0,0]=3 415 B12R1.367 NC1=C(C=CC(=C1)C(=O)OC)F AK-40058 [1,1,0,0,0,0|1,0,0]=3 416 B12R1.367 O=C(C1=CC=C(Br)C(N1)=O)OC AK100454 [1,1,0,0,0,0|2,0,0]=4 417 B12R1.367 O=C(OC)C1=CC=C(Br)C(F)=C1 AK-44121 [1,1,0,0,0,0|1,0,0]=3 418 B12R1.367 O=C(OC)C1=CC=C(C)C(F)=C1 AK-39787 [1,1,0,0,0,0|1,0,0]=3 419 B12R1.367 O=C(OC)C1=CC=C(Cl)C(C)=C1 AK117510 [1,1,0,0,0,0|1,0,0]=3 420 B12R1.367 O=C(OC)C1=CC=C(Cl)C(N)=C1 AK115355 [1,1,0,0,0,0|1,0,0]=3 421 B12R1.367 O=C(OC)C1=CC=C(I)C(N)=C1 AK-61810 [1,1,0,0,0,0|1,0,0]=3 422 B12R1.367 O=C(OC)C1=CC=C(I)C(O)=C1 AK-31800 [1,1,0,0,0,0|1,0,0]=3 423 B12R1.367 O=C(OC)C1=CC=C(N)C(C)=C1 AK-41505 [1,1,0,0,0,0|0,0,0]=2 424 B12R1.367 O=C(OC)C1=CC=C(N)C(F)=C1 AK-53872 [1,1,0,0,0,0|0,0,0]=2 425 B12R1.367 O=C(OC)C1=CC=C(N)C(O)=C1 AK-45500 [1,1,0,0,0,0|0,0,0]=2 426 B12R1.367 O=C(OC)C1=CC=C(O)C(Br)=C1 AK-68225 [1,1,0,0,0,0|1,0,0]=3 427 B12R1.367 O=C(OC)C1=CC=C(O)C(C)=C1 AK-78928 [1,1,0,0,0,0|1,0,0]=3 428 B12R1.367 O=C(OC)C1=CC=C(O)C(Cl)=C1 AK-82339 [1,1,0,0,0,0|1,0,0]=3 429 B12R1.367 O=C(OC)C1=CC=C(O)C(F)=C1 AK-79057 [1,1,0,0,0,0|1,0,0]=3 430 B12R1.367 O=C(OC)C1=CC=C(O)C(I)=C1 AK-47890 [1,1,0,0,0,0|1,0,0]=3 431 B12R1.367 O=C(OC)C1=CC=C(O)C(N)=C1 AK-76584 [1,1,0,0,0,0|1,0,0]=3 432 B12R1.367 O=C(OC)C1=CC=C(O)C(O)=C1 AK-73115 [1,1,0,0,0,0|1,0,0]=3 433 B12R1.367 O=C(OC)C1=CN=C(Br)C(C)=C1 AK-29742 [1,1,0,0,0,0|2,0,0]=4 434 B12R1.367 O=C(OC)C1=CN=C(Cl)C(Cl)=C1 AK123985 [1,1,0,0,0,0|2,0,0]=4 435 B12R1.367 O=C(OC)C1=CN=C(N)C(Br)=C1 AK-25058 [1,1,0,0,0,0|1,0,0]=3 436 B12R1.367 O=C(OC)C1=NC(Br)=C(N)C=C1 AK339630 [1,1,0,0,0,0|1,0,0]=3 437 B12R1.367 O=C(OC)C1=NC(C)=C(F)C=C1 AK-82789 [1,1,0,0,0,0|2,0,0]=4 438 B12R1.367 O=C(OC)C1=NC(Cl)=C(Br)C=C1 AK100450 [1,1,0,0,0,0|2,0,0]=4 439 B12R1.367 O=C(OC)C1=NC(Cl)=C(C)C=C1 AK-88627 [1,1,0,0,0,0|2,0,0]=4 440 B12R1.367 O=C(OC)C1=NC(N)=C(Br)C=C1 AK-51186 [1,1,0,0,0,0|2,0,0]=4 441 B12R1.367 O=C(OC)C1=NC(O)=C(O)C=C1 AK-26588 [1,1,0,0,0,0|2,0,0]=4 442 B12R1.367 O=C(OC)C1=NC=C(Br)C(C)=C1 AK-36736 [1,1,0,0,0,0|2,0,0]=4 443 B12R1.367 O=C(OC)C1=NC=C(C)C(Cl)=C1 AK-88624 [1,1,0,0,0,0|2,0,0]=4 444 B12R1.367 O=C(OC)C1=NC=C(N)C(N)=C1 AK-82285 [1,1,0,0,0,0|1,0,0]=3 445 B12R1.367 OC1=CC=C(C(CCl)=O)C=C1O AK-88433 [1,1,0,0,0,0|2,0,0]=4 446 B12R1.1703 BrC1=C(C(=O)OC)C=CC(=C1)C AK-46754 [1,1,0,0,0,0|1,0,0]=3 447 B12R1.1703 BrC1=CC(=C(C(=O)OC)C=C1)C AK-28097 [1,1,0,0,0,0|1,0,0]=3 448 B12R1.1703 C1=C(C(=CC(=C1)F)Cl)C(OC)=O AK-47401 [1,1,0,0,0,0|1,0,0]=3 449 B12R1.1703 C1=C(C(=CC(=C1)O)O)C(OC)=O AK-50554 [1,1,0,0,0,0|1,0,0]=3 450 B12R1.1703 C1=CC(=CC(=C1C(OC)=O)O)N AK-45502 [1,1,0,0,0,0|0,0,0]=2 451 B12R1.1703 COC(=O)C1=C(Br)C=C(F)C=C1 AK-46746 [1,1,0,0,0,0|1,0,0]=3 452 B12R1.1703 COC(=O)C1=C(C)C=C(I)C=C1 AK-77363 [1,1,0,0,0,0|1,0,0]=3 453 B12R1.1703 COC(=O)C1=C(F)C=C(Br)C=C1 AK-46835 [1,1,0,0,0,0|1,0,0]=3 454 B12R1.1703 COC(=O)C1=C(N)C=C(I)C=C1 AK-37605 [1,1,0,0,0,0|1,0,0]=3 455 B12R1.1703 COC(=O)C1=C(O)C=C(C)C=C1 AK-82342 [1,1,0,0,0,0|1,0,0]=3 456 B12R1.1703 COC(=O)C1=CC=C(C)C=C1N AK-61296 [1,1,0,0,0,0|1,0,0]=3 457 B12R1.1703 COC(=O)C1=CC=C(O)C=C1Cl AK-32726 [1,1,0,0,0,0|1,0,0]=3 458 B12R1.1703 COC(=O)C1=NC=C(C=C1C)Br AK-25600 [1,1,0,0,0,0|2,0,0]=4 459 B12R1.1703 COC(C1=C(C=C(C=C1)N)F)=O AK-75833 [1,1,0,0,0,0|0,0,0]=2 460 B12R1.1703 ClC1=CC(=NC=C1C(=O)OC)Cl AK-23913 [1,1,0,0,0,0|2,0,0]=4 461 B12R1.1703 FC1=C(C(=O)OC)C=CC(=C1)O AK-41478 [1,1,0,0,0,0|1,0,0]=3 462 B12R1.1703 FC1=CC(=C(C(=O)OC)C=C1)O AK-49085 [1,1,0,0,0,0|1,0,0]=3 463 B12R1.1703 FC1=CC=C(C(CCl)=O)C(F)=C1 AK-51748 [1,1,0,0,0,0|2,0,0]=4 464 B12R1.1703 NC1=CC(=C(C(=O)OC)C=C1)C AK-46101 [1,1,0,0,0,0|0,0,0]=2 465 B12R1.1703 NC1=CC(=C(C(=O)OC)C=C1)Cl AK-40022 [1,1,0,0,0,0|0,0,0]=2 466 B12R1.1703 O=C(NC)C1=CC=C(Br)C=C1F AK-98185 [1,1,0,0,0,0|2,0,0]=4 467 B12R1.1703 O=C(NC)C1=CC=C(N)C=C1F AK135551 [1,1,0,0,0,0|1,0,0]=3 468 B12R1.1703 O=C(OC)C1=C(C)N=C(F)C=C1 AK198785 [1,1,0,0,0,0|2,0,0]=4 469 B12R1.1703 O=C(OC)C1=C(Cl)N=C(C)C=C1 AK-28460 [1,1,0,0,0,0|2,0,0]=4 470 B12R1.1703 O=C(OC)C1=C(Cl)N=C(Cl)C=C1 AK-82618 [1,1,0,0,0,0|2,0,0]=4 471 B12R1.1703 O=C(OC)C1=CC=C(Br)C=C1Cl AK107560 [1,1,0,0,0,0|1,0,0]=3 472 B12R1.1703 O=C(OC)C1=CC=C(Br)C=C1N AK-53857 [1,1,0,0,0,0|1,0,0]=3 473 B12R1.1703 O=C(OC)C1=CC=C(Br)C=C1O AK-88441 [1,1,0,0,0,0|1,0,0]=3 474 B12R1.1703 O=C(OC)C1=CC=C(C)C=C1C AK140642 [1,1,0,0,0,0|1,0,0]=3 475 B12R1.1703 O=C(OC)C1=CC=C(Cl)C=C1Br AK-64354 [1,1,0,0,0,0|1,0,0]=3 476 B12R1.1703 O=C(OC)C1=CC=C(Cl)C=C1I AK201245 [1,1,0,0,0,0|1,0,0]=3 477 B12R1.1703 O=C(OC)C1=CC=C(Cl)C=C1N AK-72924 [1,1,0,0,0,0|1,0,0]=3 478 B12R1.1703 O=C(OC)C1=CC=C(Cl)C=C1O AK-46989 [1,1,0,0,0,0|1,0,0]=3 479 B12R1.1703 O=C(OC)C1=CC=C(F)C=C1C AK-63369 [1,1,0,0,0,0|1,0,0]=3 480 B12R1.1703 O=C(OC)C1=CC=C(F)C=C1F AK-39185 [1,1,0,0,0,0|1,0,0]=3 481 B12R1.1703 O=C(OC)C1=CC=C(I)C=C1F AK174064 [1,1,0,0,0,0|1,0,0]=3 482 B12R1.1703 O=C(OC)C1=CC=C(I)C=C1O AK144550 [1,1,0,0,0,0|1,0,0]=3 483 B12R1.1703 O=C(OC)C1=CN=C(Br)C=C1Cl AK157951 [1,1,0,0,0,0|2,0,0]=4 484 B12R1.1703 O=C(OC)C1=CN=C(C)C=C1N AK321488 [1,1,0,0,0,0|2,0,0]=4 485 B12R1.1703 O=C(OC)C1=CN=C(N)C=C1Cl AK543110 [1,1,0,0,0,0|1,0,0]=3 486 B12R1.1703 O=C(OC)C1=CN=C(O)C=C1O AK-65278 [1,1,0,0,0,0|2,0,0]=4 487 B12R1.1703 O=C(OC)C1=NC=C(Br)C=C1Cl AK128538 [1,1,0,0,0,0|2,0,0]=4 488 B12R1.1703 O=C(OC)C1=NC=C(F)C=C1C AK146488 [1,1,0,0,0,0|2,0,0]=4 489 B12R1.312 CCOC(=O)C1=CC=C(CCl)O1 AK-81564 [0,1,0,0,1,0|2,0,0]=4 490 B12R1.312 O=C(C1=CC(C=O)=CN1)OCC AK-36183 [0,1,0,0,1,0|2,0,0]=4 491 B12R1.313 C(OC(C1=C(N=C(S1)N)C)=O)C AK-26288 [0,1,0,0,1,0|2,0,0]=4 492 B12R1.313 NC1=NC(=C(S1)Br)C(=O)OCC AK-23889 [0,1,0,0,1,0|2,0,0]=4 493 B12R1.313 O=C(C1=C(C)C=C(C)N1)OCC AK-28998 [0,1,0,0,1,0|2,0,0]=4 494 B12R1.313 O=C(C1=C(C)N=C(N)O1)OCC AK-92703 [0,1,0,0,1,0|2,0,0]=4 495 B12R1.313 O=C(C1=C(C)SC(N)=N1)OCC AK-68327 [0,1,0,0,1,0|2,0,0]=4 496 B12R1.314 O=C(C1=NN(C)C(N)=C1)OCC AK130330 [0,1,0,0,1,0|2,0,0]=4 497 B12R1.1579 CCOC(=O)C1=C(C)C(C)=CN1 AK-82332 [0,1,0,0,1,0|2,0,0]=4 498 B12R1.1579 O=C(C1=CN=C(N)N1C)OCC AK133014 [0,1,0,0,1,0|2,0,0]=4 499 B14R1.35 CCOC(=O)C(Br)C1=CC=C(F)C=C1 AK-43629 [0,1,0,0,0,1|1,0,0]=3 500 B14R1.35 O=C(C1=CC=C(Cl)C=C1)C(OCC)=O AK-48175 [0,1,0,0,0,1|1,0,0]=3 501 B14R1.954 CCOC(=O)CC1=CC=C(C=C1)C#N AK-40190 [0,1,0,0,0,1|0,0,1]=3 502 B14R1.954 O=C(OCC)CC1=CC=C(CN)C=C1 AK-90427 [0,1,0,0,0,1|0,0,0]=2 503 B14R1.19 CCCCOC(=O)C1=CC=C(N)C=C1 AK-41115 [0,2,0,0,0,0|0,0,0]=2 504 B14R1.19 O=C(OCCCC)C1=CC=C(O)C=C1 AK113821 [0,2,0,0,0,0|1,0,0]=3 505 B14R1.125 CC1=CC=C(C=C1)S(=O)(=O)OCCF AK-51315 [0,2,0,0,0,0|2,0,0]=4 506 B14R1.125 CC1=CC=C(S(=O)(OCCC)=O)C=C1 AK324945 [0,2,0,0,0,0|2,0,0]=4 507 B14R1.678 CC(OCC(C1=CC=C(Br)C=C1)=O)=O AK114718 [0,2,0,0,0,0|1,0,1]=4 508 B14R1.678 CN(C)CCC(=O)C1=CC=C(O)C=C1 AK-80834 [0,2,0,0,0,0|2,0,0]=4 509 B14R1.941 C(C=C)OC(C1=CC(=C(C=C1)N)F)=O AK-22078 [0,2,0,0,0,0|0,0,1]=3 510 B14R1.694 O=S(C1=CC=C(C)C=C1)(OC(C)C)=O AK-88529 [0,2,0,0,0,0|2,0,0]=4 511 B14R1.2 C1=C(C(NC(C)C)=O)C=CC(=C1)C=O AK-46369 [0,2,0,0,0,0|2,0,0]=4 512 B14R1.683 CC(C)(C)OC(=O)C1=NC=C(Br)C=C1 AK-61956 [0,2,0,0,0,0|2,0,0]=4 513 B14R1.683 O=C(OC(C)(C)C)C1=CC=C(Br)C=C1 AK-39283 [0,2,0,0,0,0|1,0,0]=3 514 B14R1.683 O=C(OC(C)(C)C)C1=CC=C(F)C=C1 AK142050 [0,2,0,0,0,0|1,0,0]=3 515 B14R1.683 O=C(OC(C)(C)C)C1=CC=C(I)C=C1 AK122985 [0,2,0,0,0,0|1,0,0]=3 516 B14R1.683 O=C(OC(C)(C)C)C1=CC=C(N)C=C1 AK-46025 [0,2,0,0,0,0|0,0,0]=2 517 B14R1.683 O=C(OC(C)(C)C)C1=CC=C(O)C=C1 AK156203 [0,2,0,0,0,0|1,0,0]=3 518 B14R1.683 O=C(OC(C)(C)C)C1=CN=C(Cl)C=C1 AK-41232 [0,2,0,0,0,0|2,0,0]=4 519 B14R1.25 O=C(OCC)C1=CC=C(OCC)C=C1 AK115342 [0,2,0,0,0,0|1,0,0]=3 520 B14R1.610 C1=C(C(OCC)=O)C=CC(=C1)B(O)O AK-35150 [0,2,0,0,0,0|1,0,0]=3 521 B14R1.610 C1=C(C=CC(=C1)N(C)C)C(OCC)=O AK-41116 [0,2,0,0,0,0|0,0,0]=2 522 B14R1.610 O=C(O)C1=CC=C(C(OCC)=O)C=C1 AK317280 [0,2,0,0,0,0|1,0,0]=3 523 B14R1.610 O=C(OCC)C1=CC=C(C(C)=O)C=C1 AK117214 [0,2,0,0,0,0|1,0,0]=3 524 B14R1.610 O=C(OCC)C1=CC=C([N+]([O-])=O)C=C1 AK-45290 [0,2,0,0,0,0|0,0,1]=3 525 B14R1.610 O=C(OCC)C1=NC=C([N+]([O-])=O)C=C1 AK162962 [0,2,0,0,0,0|1,0,1]=4 526 B14R1.628 CCOC(=O)C1=CC(Cl)=C(C=O)C=C1 AK-51474 [0,2,0,0,0,0|1,0,0]=3 527 B14R1.628 O=C(OCC)C1=CC=C(C#N)C(Br)=C1 AK-43152 [0,2,0,0,0,0|0,0,1]=3 528 B14R1.628 O=C(OCC)C1=CC=C(NC)C(N)=C1 AK-32052 [0,2,0,0,0,0|0,0,0]=2 529 B14R1.626 CCOC(=O)C1=CC(OC)=C(O)C=C1 AK-44000 [0,2,0,0,0,0|1,0,0]=3 530 B14R1.626 CCOC(=O)C1=CC=C(N)C(OC)=C1 AK101680 [0,2,0,0,0,0|0,0,0]=2 531 B14R1.6821 CCOC(=O)C1=CC(Br)=C(Cl)C(F)=C1 AK110155 [0,2,0,0,0,0|1,0,0]=3 532 B14R1.6821 O=C(OCC)C1=CC(Cl)=C(N)C(Br)=C1 AK190018 [0,2,0,0,0,0|0,0,0]=2 533 B14R1.6821 O=C(OCC)C1=CC(F)=C(N)C(F)=C1 AK173758 [0,2,0,0,0,0|0,0,0]=2 534 B14R1.6821 O=C(OCC)C1=CC(I)=C(N)C(Br)=C1 AK153779 [0,2,0,0,0,0|0,0,0]=2 535 B14R1.7264 NC1=C(C(=O)OCC)C=C(C(=C1)Cl)Cl AK-68032 [0,2,0,0,0,0|1,0,0]=3 536 B14R1.7264 O=C(C=1C(Cl)=CC(N(C1)C)=O)OCC AK-38451 [0,2,0,0,0,0|2,0,0]=4 537 B14R1.7264 O=C(OCC)C1=CC(F)=C(F)C=C1N AK464750 [0,2,0,0,0,0|1,0,0]=3 538 B14R1.7265 O=C(OCC)C1=CC=C(Br)C(O)=C1O AK149679 [0,2,0,0,0,0|1,0,0]=3 539 B14R1.7265 O=C(OCC)C1=CN=C(Cl)C(I)=C1N AK684414 [0,2,0,0,0,0|2,0,0]=4 540 B14R1.18811 CCOC(=O)C1=C(Cl)C=C(Cl)N=C1C AK-82581 [0,2,0,0,0,0|2,0,0]=4 541 B14R1.18811 O=C(C1=C(O)C=C(C)NC1=O)OCC AK-56664 [0,2,0,0,0,0|2,0,0]=4 542 B14R1.18811 O=C(OCC)C1=C(Cl)N=C(Cl)C=C1C AK-76161 [0,2,0,0,0,0|2,0,0]=4 543 B14R1.18811 OC1=NC(=CC(=C1C(=O)OCC)O)C AK-26277 [0,2,0,0,0,0|2,0,0]=4 544 B12R2.132 CN1N=CC2=CC=C(N)C=C12 AK-27916 [1,0,0,1,0,0|2,0,0]=4 545 B12R2.2 C1(C2=CC=CN=C2)=NCCO1 AK158900 [1,0,0,1,0,0|2,0,0]=4 546 B12R2.1081 C1=CC=CC2=C1C(=O)NCC2 AK-25321 [1,0,0,1,0,0|1,0,0]=3 547 B12R2.1081 N1=CC=CC2=C1C(CCC2)=O AK-29412 [1,0,0,1,0,0|2,0,0]=4 548 B12R2.1081 O=C1CCCC2=C1C=CC=C2 AK-43970 [1,0,0,1,0,0|1,0,0]=3 549 B12R2.1081 O=C1CCCC2=C1C=CC=N2 AK-26084 [1,0,0,1,0,0|2,0,0]=4 550 B12R2.1081 O=C1CCCC2=C1C=NC=C2 AK149492 [1,0,0,1,0,0|2,0,0]=4 551 B12R2.1081 O=C1CCNC2=C1C=CC=C2 AK-77367 [1,0,0,1,0,0|2,0,0]=4 552 B12R2.1081 O=C1CCOC2=C1C=CC=C2 AK-46406 [1,0,0,1,0,0|2,0,0]=4 553 B12R2.1081 O=C1NCCC2=C1N=CC=C2 AK119860 [1,0,0,1,0,0|2,0,0]=4 554 B12R2.1081 O=C1OCCC2=C1C=CC=C2 AK-84484 [1,0,0,1,0,0|0,0,0]=2 555 B12R2.2028 BrC1CC(=O)C2=C1C=CC=C2 AK-32505 [1,0,0,1,0,0|2,0,0]=4 556 B12R2.2028 O=C1NC(N)C2=C1C=CC=C2 AK158160 [1,0,0,1,0,0|2,0,0]=4 557 B12R2.2028 O=C1NN(C)C2=C1C=CC=C2 AK155423 [1,0,0,1,0,0|2,0,0]=4 558 B12R2.2028 O=C1OC(O)C2=C1C=CC=C2 AK607884 [1,0,0,1,0,0|1,0,0]=3 559 B12R2.612 BrC1=CC=C2C(NCC2=C1)=O AK-29385 [1,0,0,1,0,0|2,0,0]=4 560 B12R2.612 C1=C(C=CC2=C1CCC2=O)Cl AK-31971 [1,0,0,1,0,0|1,0,0]=3 561 B12R2.612 NC1=CC=C2C(NCC2=C1)=O AK-34184 [1,0,0,1,0,0|1,0,0]=3 562 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 AK-25818 [1,0,0,1,0,0|1,0,0]=3 563 B12R2.612 O=C1CCC2=C1C=CC(C)=C2 AK-41812 [1,0,0,1,0,0|1,0,0]=3 564 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 AK-26274 [1,0,0,1,0,0|1,0,0]=3 565 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 AK-29326 [1,0,0,1,0,0|1,0,0]=3 566 B12R2.612 O=C1CCC2=C1C=CC(N)=C2 AK-34777 [1,0,0,1,0,0|0,0,0]=2 567 B12R2.612 O=C1COC2=CC(Br)=CC=C12 AK-33982 [1,0,0,1,0,0|2,0,0]=4 568 B12R2.612 O=C1COC2=CC(Cl)=CC=C12 AK-25773 [1,0,0,1,0,0|2,0,0]=4 569 B12R2.612 O=C1COC2=CC(O)=CC=C12 AK-27229 [1,0,0,1,0,0|2,0,0]=4 570 B12R2.612 O=C1OCC2=C1C=CC(Br)=C2 AK-35968 [1,0,0,1,0,0|1,0,0]=3 571 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 AK161984 [1,0,0,1,0,0|1,0,0]=3 572 B14R2.926 O=C1NCCN1C2=CC=C(Cl)C=C2 AK158209 [0,0,0,1,0,1|2,0,0]=4 573 B14R2.8719 O=C1C2=CC=C(Br)C=C2OCCC1 AK103132 [0,1,0,1,0,0|2,0,0]=4 574 B14R2.8719 O=C1CCCCC2=CC(N)=CC=C21 AK103172 [0,1,0,1,0,0|1,0,0]=3 575 B14R2.29369 O=C1N(C)CCC2=C1C=CC(Br)=C2 AK545500 [0,1,0,1,0,0|2,0,0]=4 576 B14R2.329 O=C(C1=CC=C(CBr)C=C1)C2CC2 AK148562 [0,1,0,1,0,0|2,0,0]=4 577 B14R2.1801 C(#N)C1=CC=C2C(CCCC2=C1)=O AK-26430 [0,1,0,1,0,0|1,0,1]=4 578 B14R2.1801 O=C1CCCC2=C1C=CC(OC)=C2 AK-25284 [0,1,0,1,0,0|2,0,0]=4 579 B14R2.1801 O=C1NCCC2=C1C=CC(OC)=C2 AK-23869 [0,1,0,1,0,0|2,0,0]=4 580 B14R2.8038 O=C1CCCC2=C1C=CC(C)=C2Br AK172629 [0,1,0,1,0,0|2,0,0]=4 581 B14R2.8038 O=C1CCCC2=C1C=CC(C)=C2O AK160830 [0,1,0,1,0,0|2,0,0]=4 582 B14R2.8038 O=C1CCCC2=C1C=CC(F)=C2Br AK172657 [0,1,0,1,0,0|2,0,0]=4 583 B14R2.8038 O=C1CCCC2=C1C=CC(F)=C2F AK608031 [0,1,0,1,0,0|2,0,0]=4 584 B14R2.28472 O=C1CCCC2=C1C=C(C)C(Br)=C2 AK172765 [0,1,0,1,0,0|2,0,0]=4 585 B14R2.28472 O=C1CCCC2=C1C=C(F)C(F)=C2 AK-58689 [0,1,0,1,0,0|2,0,0]=4 586 B14R2.28480 O=C1CCCC2=C1C(F)=CC(F)=C2 AK172697 [0,1,0,1,0,0|2,0,0]=4 587 B10R1.11 C1=C(C(=O)OCC)SC=N1 AK-29162 [1,0,0,0,1,0|2,0,0]=4 588 B10R1.11 C1=C([NH]C=N1)C(OCC)=O AK-25642 [1,0,0,0,1,0|2,0,0]=4 589 B10R1.11 C1=C[NH]C(=N1)C(OCC)=O AK-39974 [1,0,0,0,1,0|2,0,0]=4 590 B10R1.11 C1=N[NH]C=C1C(OCC)=O AK-27126 [1,0,0,0,1,0|2,0,0]=4 591 B10R1.11 CCOC(=O)C1=CC=CN1 AK-25609 [1,0,0,0,1,0|1,0,0]=3 592 B10R1.11 CCOC(=O)C1=CNC=C1 AK-41135 [1,0,0,0,1,0|1,0,0]=3 593 B10R1.11 O=C(C1=CC=NO1)OCC AK-68489 [1,0,0,0,1,0|2,0,0]=4 594 B10R1.11 O=C(C1=COC=N1)OCC AK-28248 [1,0,0,0,1,0|2,0,0]=4 595 B10R1.11 O=C(C1=NC=CO1)OCC AK-68691 [1,0,0,0,1,0|2,0,0]=4 596 B10R1.11 O=C(C1=NNC=C1)OCC AK-45333 [1,0,0,0,1,0|2,0,0]=4 597 B10R1.14 C1=C(C(OC)=O)N=C(S1)N AK-15127 [1,0,0,0,1,0|2,0,0]=4 598 B10R1.14 C1=C(C(OC)=O)SC(=N1)N AK-23910 [1,0,0,0,1,0|2,0,0]=4 599 B10R1.14 C1=C(SC=C1N)C(OC)=O AK-36782 [1,0,0,0,1,0|1,0,0]=3 600 B10R1.14 COC(=O)C1=CC(=CO1)Br AK-39920 [1,0,0,0,1,0|2,0,0]=4 601 B10R1.14 COC(=O)C1=CC(Br)=CN1 AK-23914 [1,0,0,0,1,0|2,0,0]=4 602 B10R1.14 COC(=O)C1=CC(Br)=CS1 AK-55210 [1,0,0,0,1,0|2,0,0]=4 603 B10R1.14 COC(=O)C1=CNC(Br)=C1 AK-63235 [1,0,0,0,1,0|2,0,0]=4 604 B10R1.14 COC(=O)C1=COC(C)=C1 AK-28257 [1,0,0,0,1,0|2,0,0]=4 605 B10R1.14 NC1=CC(=N[NH]1)C(=O)OC AK-35933 [1,0,0,0,1,0|2,0,0]=4 606 B10R1.14 O=C(C1=CC=C(Br)N1)OC AK-47142 [1,0,0,0,1,0|2,0,0]=4 607 B10R1.14 O=C(C1=CC=C(Br)O1)OC AK-43914 [1,0,0,0,1,0|2,0,0]=4 608 B10R1.14 O=C(C1=CC=C(Br)S1)OC AK-40321 [1,0,0,0,1,0|2,0,0]=4 609 B10R1.14 O=C(C1=CC=C(C)O1)OC AK124407 [1,0,0,0,1,0|2,0,0]=4 610 B10R1.14 O=C(C1=CC=C(N)S1)OC AK-40138 [1,0,0,0,1,0|1,0,0]=3 611 B10R1.14 O=C(C1=CSC(Br)=C1)OC AK138265 [1,0,0,0,1,0|2,0,0]=4 612 B12R1.32 C(C)OC(CC1=NC=CC=N1)=O AK-24266 [1,0,0,0,0,1|2,0,0]=4 613 B12R1.32 CCCC(CC1=CC=CC=C1)=O AK113874 [1,0,0,0,0,1|1,0,0]=3 614 B12R1.32 O=C(OCC)CC1=CC=CC=C1 AK116248 [1,0,0,0,0,1|0,0,0]=2 615 B12R1.32 O=C(OCC)CC1=CC=CN=C1 AK-81622 [1,0,0,0,0,1|1,0,0]=3 616 B12R1.32 O=C(OCC)C[N+]1=CC=CC=C1 AK-60276 [1,0,0,0,0,1|1,0,0]=3 617 B14R1.502 BrC1=CC=C(C=C1)CCC(=O)OCC AK-35074 [0,0,0,0,0,2|1,0,0]=3 618 B14R1.502 CCOC(=O)/C=C/C1=CC=C(O)C=C1 AK104398 [0,0,0,0,0,2|1,0,0]=3 619 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 AK-72737 [0,0,0,0,0,2|1,0,0]=3 620 B14R1.502 O=C(OCC)C#CC1=CC=C(Cl)C=C1 AK156093 [0,0,0,0,0,2|1,0,0]=3 621 B14R1.502 O=C(OCC)\C=C\C1=CC=C(Br)C=C1 AK112240 [0,0,0,0,0,2|1,0,0]=3