0 B8R0.28 CC(OCOC(C)=O)=O AK112071 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.28 O=C(O)\C=C\CN(C)C AK-44120 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.28 O=C(O)\C=C\CN(C)C AK164346 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.4 C\C=C\C=C\C([O-])=O AK-47286 [1,0,0,0,0,0|1,0,0]=2 4 B7R0.4 O=C(O)\C=C\OCC AK-46090 [1,0,0,0,0,0|2,0,1]=4 5 B9R0.53 CC(=CC(C=C(C)C)=O)C AK-35357 [0,1,0,0,0,0|1,0,0]=2 6 B9R0.53 C[N+](C)=C\C(Cl)=C\N(C)C AK142895 [0,1,0,0,0,0|3,0,0]=4 7 B9R1.35 BrC1=CC(=CS1)C(C)=O AK-35777 [0,0,0,1,0,0|2,0,1]=4 8 B9R1.35 C1=C(N=C(S1)N)C(=O)C AK-54799 [0,0,0,1,0,0|3,0,0]=4 9 B9R1.35 C1=C(OC(=C1)Br)C(O)=O AK-35759 [0,0,0,1,0,0|3,0,0]=4 10 B9R1.35 C1=C(OC(=C1)C)C(O)=O AK-44799 [0,0,0,1,0,0|2,0,0]=3 11 B9R1.35 C1=C(SC(=C1)C(O)=O)Cl AK-29045 [0,0,0,1,0,0|3,0,0]=4 12 B9R1.35 C1=C(SC(=C1)C)C(=O)C AK-33183 [0,0,0,1,0,0|1,0,0]=2 13 B9R1.35 C1=C(SC(=C1)Cl)C(C)=O AK-47623 [0,0,0,1,0,0|2,0,0]=3 14 B9R1.35 C1=C(SC(=N1)C)C(=O)O AK-35030 [0,0,0,1,0,0|3,0,0]=4 15 B9R1.35 CC(=O)C1=CC=C(C)O1 AK-77189 [0,0,0,1,0,0|1,0,0]=2 16 B9R1.35 CC(=O)C1=NC(C)=CO1 AK-80747 [0,0,0,1,0,0|2,0,0]=3 17 B9R1.35 CC(=O)C1=NOC(C)=C1 AK-47045 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.35 CC(C1=CC(Cl)=CS1)=O AK-77338 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.35 CC1=CC=C(N1)C(O)=O AK100045 [0,0,0,1,0,0|2,0,0]=3 20 B9R1.35 CC1=CN=C(S1)C(=O)O AK-26650 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.35 CC1=CSC(C(C)C)=N1 AK114355 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.35 CN1C=C(C=N1)C(C)=O AK-34919 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.35 CN1C=CC(=C1)C(O)=O AK-28665 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.35 CN1C=CC(=N1)C(N)=O AK102817 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.35 O=C(C1=CC=C(Br)S1)O AK-26297 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.35 O=C(C1=CC=C(C)S1)O AK-25546 [0,0,0,1,0,0|2,0,0]=3 27 B9R1.35 O=C(C1=CC=C(Cl)O1)O AK-94156 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.35 O=C(C1=CC=C(F)S1)O AK-35162 [0,0,0,1,0,0|3,0,0]=4 29 B9R1.35 O=C(C1=CC=C(I)S1)O AK113691 [0,0,0,1,0,0|3,0,0]=4 30 B9R1.35 O=C(C1=CN=C(C)O1)O AK-43778 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.35 O=C(C1=CNC(C)=C1)O AK-78330 [0,0,0,1,0,0|2,0,1]=4 32 B9R1.35 O=C(C1=CNC(C)=N1)O AK-78654 [0,0,0,1,0,0|3,0,0]=4 33 B9R1.35 O=C(C1=NC(C)=CN1)O AK-29453 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.35 O=C(C1=NN(C)C=C1)O AK-79303 [0,0,0,1,0,0|3,0,0]=4 35 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 AK-48243 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.35 O=C1NN(C(C)=O)C=C1 AK676222 [0,0,0,1,0,0|3,0,0]=4 37 B9R1.35 OC(=O)C1=CC=C(Br)N1 AK100216 [0,0,0,1,0,0|3,0,0]=4 38 B7R0.6 CC(NNC(C)C)=O AK118752 [0,0,0,0,1,0|2,0,1]=4 39 B7R0.6 O=C(O)\C=C/C(N)=O AK169998 [0,0,0,0,1,0|3,0,0]=4 40 B7R0.6 O=C(O)\C=C\C(O)=O AK115563 [0,0,0,0,1,0|3,0,0]=4 41 B8R0.9 O=C(O)\C=C\C(OC)=O AK114632 [1,1,0,0,0,0|2,0,0]=4 42 B8R0.23 CC(CC(N(C)C)=O)=O AK129044 [0,1,0,0,1,0|1,0,1]=4 43 B10R0.59 O=C(OC)\C=C\CC(OC)=O AK163249 [0,2,0,0,0,0|1,0,1]=4 44 B8R1.1 C1=C(N=C(S1)C)C=O AK-25586 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.1 C1=C(SC(=C1)Br)C=O AK-35268 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.1 CC1=CC=C(S1)C=O AK-30245 [1,0,0,1,0,0|1,0,0]=3 47 B8R1.1 CC1=NC(C=O)=CO1 AK-68492 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.1 CCC1=CC=C(C)S1 AK103790 [1,0,0,1,0,0|0,1,1]=4 49 B8R1.1 C[N]1C=CC(=N1)C=O AK-39769 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.1 O=CC1=CC=C(Br)O1 AK-32379 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.1 O=CC1=CC=C(C)O1 AK-94177 [1,0,0,1,0,0|1,0,0]=3 52 B8R1.1 O=CC1=CC=C(Cl)O1 AK158080 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.1 O=CC1=CC=C(Cl)S1 AK-48469 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.1 O=CC1=CN=C(C)O1 AK-25452 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.1 O=CC1=CN=C(C)S1 AK-32616 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.1 O=CC1=CSC(C)=C1 AK138065 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.4 C1=C(N=C(C=C1)Br)C AK-26079 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.4 C1=CC=C(N=C1C)Cl AK-32452 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.4 C1=CC=C(N=C1C)F AK-25943 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.4 CC1=CC(C=CN1)=O AK-25534 [1,0,0,1,0,0|1,0,1]=4 61 B8R1.4 CC1=CC(I)=CC=C1 AK161788 [1,0,0,1,0,0|1,0,1]=4 62 B8R1.4 CC1=CC=CC(I)=N1 AK-35898 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.4 CC1=CC=CC(N)=N1 AK-28918 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.4 CC1=CN=CC(C)=N1 AK-73109 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.4 CC1=NC(C)=NC=C1 AK128381 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.4 O=C1C=CC=C(C)N1 AK-29158 [1,0,0,1,0,0|1,0,0]=3 67 B8R1.4 O=C1C=CC=C(Cl)N1 AK-27743 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.4 O=C1NC(=CC=C1)N AK-28666 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.4 O=C1NC(C)=NC=C1 AK-46845 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.7 C1=CSC(=N1)C(C)=O AK-46781 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.7 CC(=O)C1=CC=CN1 AK-53458 [1,0,0,1,0,0|1,0,0]=3 72 B8R1.7 CC(=O)C1=CC=NO1 AK-68495 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.7 CC(=O)C1=CSC=C1 AK-44537 [1,0,0,1,0,0|1,0,1]=4 74 B8R1.7 CC(C1=CC=CO1)C AK120816 [1,0,0,1,0,0|0,0,2]=4 75 B8R1.7 O=C(C1=CC=CN1)O AK-44225 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.7 O=C(C1=CC=CO1)O AK-72863 [1,0,0,1,0,0|2,0,0]=4 77 B8R1.7 O=C(C1=CC=CS1)[O-] AK110095 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.7 O=C(C1=CNC=C1)C AK-45953 [1,0,0,1,0,0|1,0,1]=4 79 B8R1.7 O=C(C1=CNC=N1)C AK-45163 [1,0,0,1,0,0|2,0,0]=4 80 B8R1.7 S1C=C(N=C1)C(C)=O AK-39395 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.7 [O-]C(=O)C1=CC=CS1 AK111442 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.22 O=C1C=CCCCC1 AK-88461 [1,0,0,1,0,0|0,0,2]=4 83 B8R1.3 CC1=NN=C(C)C=C1 AK130999 [0,0,0,1,1,0|2,0,0]=4 84 B8R1.3 O=C1C=CC(C)=NN1 AK-33134 [0,0,0,1,1,0|2,0,0]=4 85 B8R1.3 O=C1CCC(C)=NN1 AK-88553 [0,0,0,1,1,0|2,0,0]=4 86 B10R1.54 CC(=O)NC1=CC=C(Br)S1 AK-86925 [0,0,0,1,0,1|2,0,0]=4 87 B10R1.113 C(C)(=O)C1=CC(=CN=C1)Br AK-25899 [0,0,0,1,0,1|1,0,1]=4 88 B10R1.113 C(C)(=O)C1=CC(=NC=C1)C AK-26955 [0,0,0,1,0,1|0,0,1]=3 89 B10R1.113 C(C)(=O)C1=NC(=CC=C1)Br AK-30565 [0,0,0,1,0,1|2,0,0]=4 90 B10R1.113 C1=C(C(C)=O)C=C(C=C1)O AK-46681 [0,0,0,1,0,1|1,0,1]=4 91 B10R1.113 C1=C(C=NC=C1C)C(O)=O AK-23837 [0,0,0,1,0,1|1,0,1]=4 92 B10R1.113 C1=CC=C(N=C1C(O)=O)C AK-27736 [0,0,0,1,0,1|2,0,0]=4 93 B10R1.113 C1=NC=C(N=C1C(=O)O)C AK-26120 [0,0,0,1,0,1|2,0,0]=4 94 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 AK-34279 [0,0,0,1,0,1|1,0,1]=4 95 B10R1.113 CC(=O)C1=CC=NC(Cl)=N1 AK100632 [0,0,0,1,0,1|2,0,0]=4 96 B10R1.113 CC(C1=CC(F)=CN=C1)=O AK101043 [0,0,0,1,0,1|1,0,1]=4 97 B10R1.113 CC(C1=CC(N)=NC=C1)=O AK134215 [0,0,0,1,0,1|1,0,1]=4 98 B10R1.113 CC(C1=CC=CC(Br)=C1)=O AK-44590 [0,0,0,1,0,1|1,0,1]=4 99 B10R1.113 CC(C1=CC=CC(C)=C1)=O AK143347 [0,0,0,1,0,1|0,0,1]=3 100 B10R1.113 CC(C1=NC(Cl)=CC=C1)=O AK-29671 [0,0,0,1,0,1|2,0,0]=4 101 B10R1.113 CC(C1=NC(F)=CC=C1)=O AK-74181 [0,0,0,1,0,1|2,0,0]=4 102 B10R1.113 CC(C1=NC=CC(C)=C1)=O AK-61872 [0,0,0,1,0,1|0,0,1]=3 103 B10R1.113 CC(C1=NC=CC(Cl)=C1)=O AK-30041 [0,0,0,1,0,1|1,0,1]=4 104 B10R1.113 CC(C1=NC=NC(C)=C1)=O AK-78932 [0,0,0,1,0,1|1,0,1]=4 105 B10R1.113 CC1=CC=CC(C(C)=O)=N1 AK-30134 [0,0,0,1,0,1|1,0,0]=3 106 B10R1.113 CC1=CC=NC(=C1)C(=O)O AK-30381 [0,0,0,1,0,1|1,0,1]=4 107 B10R1.113 CC1=CC=NC(=N1)C(O)=O AK-36910 [0,0,0,1,0,1|2,0,0]=4 108 B10R1.113 CC1=NC=CC(=N1)C(=O)O AK-23648 [0,0,0,1,0,1|2,0,0]=4 109 B10R1.113 NC1=CC(C(C)=O)=CC=C1 AK-83273 [0,0,0,1,0,1|1,0,1]=4 110 B10R1.113 O=C(O)C1=CC=CC(C)=C1 AK116994 [0,0,0,1,0,1|1,0,1]=4 111 B10R1.113 O=C(O)C1=CC=NC(C)=C1 AK-23516 [0,0,0,1,0,1|1,0,1]=4 112 B10R1.13 C(C)(=O)C1=CC=C(N=C1)Br AK-25404 [0,1,0,1,0,0|1,0,1]=4 113 B10R1.13 C1=C(N=CC(=C1)C(C)=O)C AK-25853 [0,1,0,1,0,0|0,0,1]=3 114 B10R1.13 C1=CC(=CC=C1C(C)=O)F AK-41690 [0,1,0,1,0,0|1,0,1]=4 115 B10R1.13 C1=CC(=CN=C1C(O)=O)C AK-27814 [0,1,0,1,0,0|1,0,1]=4 116 B10R1.13 C1=CC(=NC=C1C(N)=O)C AK-48877 [0,1,0,1,0,0|1,0,1]=4 117 B10R1.13 CC(=O)C1=CC=C(N)N=C1 AK-67650 [0,1,0,1,0,0|1,0,1]=4 118 B10R1.13 CC(C1=CC=C(Br)C=C1)=O AK124422 [0,1,0,1,0,0|1,0,1]=4 119 B10R1.13 CC(C1=CC=C(C)C=C1)=O AK-41305 [0,1,0,1,0,0|0,0,1]=3 120 B10R1.13 CC(C1=CC=C(F)N=C1)=O AK-29672 [0,1,0,1,0,0|1,0,1]=4 121 B10R1.13 CC(C1=CC=C(N)C=C1)=O AK110424 [0,1,0,1,0,0|1,0,1]=4 122 B10R1.13 CC(C1=CC=C(O)C=C1)=O AK-86441 [0,1,0,1,0,0|1,0,1]=4 123 B10R1.13 CC(C1=CC=C(O)N=C1)=O AK-40333 [0,1,0,1,0,0|1,0,1]=4 124 B10R1.13 CC(C1=NC=C(Br)C=C1)=O AK-28454 [0,1,0,1,0,0|1,0,1]=4 125 B10R1.13 CC(C1=NC=C(Cl)C=C1)=O AK-77099 [0,1,0,1,0,0|1,0,1]=4 126 B10R1.13 CC(C1=NC=C(O)C=C1)=O AK116053 [0,1,0,1,0,0|1,0,1]=4 127 B10R1.13 CC1=CCC(C(C)=O)CC1 AK-49974 [0,1,0,1,0,0|0,0,2]=4 128 B10R1.13 ClC1=CC=C(C(C)=O)C=N1 AK-26129 [0,1,0,1,0,0|1,0,1]=4 129 B10R1.13 O=C(O)C1=CC=C(C)C=C1 AK106262 [0,1,0,1,0,0|1,0,1]=4 130 B10R1.13 O=C(O)C1=CN=C(C)C=C1 AK-29149 [0,1,0,1,0,0|1,0,1]=4 131 B10R1.14 COC(=O)C1=COC(C)=C1 AK-28257 [0,1,0,1,0,0|1,0,1]=4 132 B10R1.14 O=C(C1=CC=C(Br)N1)OC AK-47142 [0,1,0,1,0,0|2,0,0]=4 133 B10R1.14 O=C(C1=CC=C(Br)O1)OC AK-43914 [0,1,0,1,0,0|2,0,0]=4 134 B10R1.14 O=C(C1=CC=C(Br)S1)OC AK-40321 [0,1,0,1,0,0|2,0,0]=4 135 B10R1.14 O=C(C1=CC=C(C)O1)OC AK124407 [0,1,0,1,0,0|1,0,0]=3 136 B10R1.14 O=C(C1=CC=C(N)S1)OC AK-40138 [0,1,0,1,0,0|2,0,0]=4 137 B10R1.14 O=C(C1=CN=C(C)O1)OC AK-26225 [0,1,0,1,0,0|2,0,0]=4 138 B10R1.14 O=C(C1=NC(C)=CS1)OC AK-68231 [0,1,0,1,0,0|2,0,0]=4 139 B10R1.14 O=C(C1=NC=C(C)S1)OC AK-76566 [0,1,0,1,0,0|2,0,0]=4 140 B10R1.31 C1=C(OC(=C1)CO)C(=O)O AK-26213 [0,1,0,1,0,0|2,0,0]=4 141 B10R1.31 CSC1=CC=C(S1)C(O)=O AK-34056 [0,1,0,1,0,0|2,0,0]=4 142 B10R1.31 O=CC1=CC=C(C(C)=O)S1 AK110433 [0,1,0,1,0,0|1,0,1]=4 143 B10R1.31 O=CC1=CC=C(N(C)C)S1 AK-98740 [0,1,0,1,0,0|2,0,0]=4 144 B10R1.194 CC(C1=CNC(Br)=C1C)=O AK-25566 [0,1,0,1,0,0|2,0,0]=4 145 B10R1.194 O=C(C1=C(C)C(C)=CS1)O AK-36791 [0,1,0,1,0,0|2,0,0]=4 146 B10R1.194 O=C(C1=C(C)N(C)C=C1)O AK164868 [0,1,0,1,0,0|2,0,0]=4 147 B10R1.194 O=C(C1=CC=C(Br)N1C)O AK-36608 [0,1,0,1,0,0|2,0,0]=4 148 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 AK-80296 [0,1,0,1,0,0|2,0,0]=4 149 B10R1.59 CC(C1=C(C)C=C(C)O1)=O AK126891 [0,1,0,1,0,0|1,0,0]=3 150 B6R0.2 CC(NC(C)C)=O AK-86542 [0,0,0,0,2,0|1,0,1]=4 151 B6R0.2 CC(\C=C(N)\C)=O AK-39642 [0,0,0,0,2,0|1,0,0]=3 152 B6R0.2 C\C(C)=C\C(O)=O AK-65194 [0,0,0,0,2,0|1,0,0]=3