0 B7R1.1 BrCC1=CSC=N1 AK158849 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.1 BrCC1=NC=CN1 AK142906 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.1 C(#N)C1=NC=CS1 AK-24120 [0,0,0,0,0,0|2,1,1]=4 3 B7R1.1 C1=C(C#N)C=CS1 AK-50641 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.1 C1=C(N=CS1)C=O AK-23930 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.1 C1=C(SC=C1)C#N AK-46367 [0,0,0,0,0,0|1,1,1]=3 6 B7R1.1 C1=C(SC=C1)C=O AK-26482 [0,0,0,0,0,0|1,1,1]=3 7 B7R1.1 C1=C(SC=N1)CO AK-23792 [0,0,0,0,0,0|2,1,0]=3 8 B7R1.1 C1=C([NH]C=N1)C=O AK-41612 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.1 C1=CC=N[N]1CO AK-21910 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.1 C1=CN=C(C=O)[NH]1 AK-49186 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.1 C1=CSC(=N1)C=O AK-46309 [0,0,0,0,0,0|2,1,1]=4 12 B7R1.1 C1=NC(=CS1)C#N AK-24730 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.1 C1=NC(=CS1)CO AK-23714 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.1 C1=N[NH]C=C1CO AK-29936 [0,0,0,0,0,0|4,0,0]=4 15 B7R1.1 C=CC1=NC=CS1 AK251551 [0,0,0,0,0,0|1,1,2]=4 16 B7R1.1 CCC1=CC=CS1 AK-76635 [0,0,0,0,0,0|0,1,0]=1 17 B7R1.1 CCC1=NC=CN1 AK161825 [0,0,0,0,0,0|2,0,0]=2 18 B7R1.1 CCC1=NN=CO1 AK-50871 [0,0,0,0,0,0|2,0,0]=2 19 B7R1.1 CCC1=NNC=N1 AK124531 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.1 CCN1C=CN=C1 AK-47598 [0,0,0,0,0,0|3,0,0]=3 21 B7R1.1 CCN1N=CC=C1 AK-39994 [0,0,0,0,0,0|2,0,0]=2 22 B7R1.1 CNC1=NC=CS1 AK-32595 [0,0,0,0,0,0|2,1,0]=3 23 B7R1.1 COC1=CC=CS1 AK-60885 [0,0,0,0,0,0|1,1,0]=2 24 B7R1.1 COC1=CNN=C1 AK200730 [0,0,0,0,0,0|4,0,0]=4 25 B7R1.1 COC1=CSC=C1 AK-60944 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.1 COC1=NC=CS1 AK-46322 [0,0,0,0,0,0|2,1,0]=3 27 B7R1.1 ClCC1=CN=CO1 AK143331 [0,0,0,0,0,0|2,0,0]=2 28 B7R1.1 ClCC1=CN=CS1 AK-94779 [0,0,0,0,0,0|2,1,0]=3 29 B7R1.1 ClCC1=NC=CO1 AK-33839 [0,0,0,0,0,0|2,0,0]=2 30 B7R1.1 ClCC1=NOC=N1 AK-87005 [0,0,0,0,0,0|4,0,0]=4 31 B7R1.1 N#CC1=CNC=C1 AK-46080 [0,0,0,0,0,0|3,0,1]=4 32 B7R1.1 N#CC1=CNC=N1 AK-35688 [0,0,0,0,0,0|3,0,1]=4 33 B7R1.1 N#CC1=NC=CN1 AK-81383 [0,0,0,0,0,0|3,0,1]=4 34 B7R1.1 NCC1=CC=CN1 AK-39872 [0,0,0,0,0,0|2,0,0]=2 35 B7R1.1 NCC1=CC=CS1 AK-46394 [0,0,0,0,0,0|1,1,0]=2 36 B7R1.1 NCC1=CN=CO1 AK-25086 [0,0,0,0,0,0|2,0,0]=2 37 B7R1.1 NCC1=CN=CS1 AK-24530 [0,0,0,0,0,0|2,1,0]=3 38 B7R1.1 NCC1=CNC=C1 AK-67638 [0,0,0,0,0,0|3,0,0]=3 39 B7R1.1 NCC1=CNC=N1 AK-33143 [0,0,0,0,0,0|3,0,0]=3 40 B7R1.1 NCC1=CSC=C1 AK-28306 [0,0,0,0,0,0|3,0,0]=3 41 B7R1.1 NCC1=CSC=C1 AK-48092 [0,0,0,0,0,0|3,0,0]=3 42 B7R1.1 NCC1=NC=CO1 AK-48266 [0,0,0,0,0,0|2,0,0]=2 43 B7R1.1 NCC1=NC=CS1 AK-26128 [0,0,0,0,0,0|2,1,0]=3 44 B7R1.1 NCC1=NC=CS1 AK-95677 [0,0,0,0,0,0|2,1,0]=3 45 B7R1.1 NCC1=NNC=C1 AK-25875 [0,0,0,0,0,0|3,0,0]=3 46 B7R1.1 NCC1=NNC=N1 AK199214 [0,0,0,0,0,0|4,0,0]=4 47 B7R1.1 NNC1=NC=CS1 AK162847 [0,0,0,0,0,0|3,1,0]=4 48 B7R1.1 O=CC1=CC=CN1 AK-25235 [0,0,0,0,0,0|2,0,1]=3 49 B7R1.1 O=CC1=CN=CS1 AK-39378 [0,0,0,0,0,0|2,1,1]=4 50 B7R1.1 O=CC1=CNC=C1 AK-36182 [0,0,0,0,0,0|3,0,1]=4 51 B7R1.1 O=CC1=CSC=C1 AK-42964 [0,0,0,0,0,0|3,0,1]=4 52 B7R1.1 OCC1=CC=CS1 AK-93468 [0,0,0,0,0,0|1,1,0]=2 53 B7R1.1 OCC1=CC=NO1 AK-68490 [0,0,0,0,0,0|2,0,0]=2 54 B7R1.1 OCC1=CN=CO1 AK-25343 [0,0,0,0,0,0|2,0,0]=2 55 B7R1.1 OCC1=COC=C1 AK-46116 [0,0,0,0,0,0|3,0,0]=3 56 B7R1.1 OCC1=CSC=C1 AK-36199 [0,0,0,0,0,0|3,0,0]=3 57 B7R1.1 OCC1=NC=CN1 AK-44944 [0,0,0,0,0,0|3,0,0]=3 58 B7R1.1 OCC1=NC=CO1 AK-29821 [0,0,0,0,0,0|2,0,0]=2 59 B7R1.1 OCC1=NC=NN1 AK173322 [0,0,0,0,0,0|4,0,0]=4 60 B7R1.1 OCC1=NOC=C1 AK-25087 [0,0,0,0,0,0|3,0,0]=3 61 B7R1.1 OCC1CC=CC1 AK-48070 [0,0,0,0,0,0|2,0,2]=4 62 B7R1.1 OCN1N=CN=C1 AK132964 [0,0,0,0,0,0|4,0,0]=4 63 B7R1.1 [NH]1C=CC(=N1)C#N AK-30564 [0,0,0,0,0,0|3,0,1]=4 64 B7R1.1 [NH]1C=CC(=N1)C=O AK-25900 [0,0,0,0,0,0|3,0,1]=4 65 B6R1.2 BrC1=NC=CN1 AK-60873 [1,0,0,0,0,0|3,0,0]=4 66 B6R1.2 BrC1=NC=CS1 AK130463 [1,0,0,0,0,0|2,1,0]=4 67 B6R1.2 BrC1=NOC=C1 AK-32851 [1,0,0,0,0,0|3,0,0]=4 68 B6R1.2 BrC1=N[NH]C=C1 AK-23694 [1,0,0,0,0,0|3,0,0]=4 69 B6R1.2 C1=C(Br)SC=N1 AK-22153 [1,0,0,0,0,0|2,1,0]=4 70 B6R1.2 C1=C(Cl)[NH]C=N1 AK-39375 [1,0,0,0,0,0|3,0,0]=4 71 B6R1.2 C1=C(N=CS1)C AK-27071 [1,0,0,0,0,0|2,0,0]=3 72 B6R1.2 C1=C([NH]C=N1)Br AK-29028 [1,0,0,0,0,0|3,0,0]=4 73 B6R1.2 C1=C([NH]N=C1)C AK-47298 [1,0,0,0,0,0|2,0,0]=3 74 B6R1.2 C1=CN=C(Cl)S1 AK-21986 [1,0,0,0,0,0|2,1,0]=4 75 B6R1.2 C1=CN=C([NH]1)N AK-25424 [1,0,0,0,0,0|3,0,0]=4 76 B6R1.2 C1=CSC(=N1)C AK-25844 [1,0,0,0,0,0|1,1,0]=3 77 B6R1.2 C1=CSC=C1I AK-73044 [1,0,0,0,0,0|3,0,0]=4 78 B6R1.2 C1=NC(=CS1)Br AK-23755 [1,0,0,0,0,0|3,0,0]=4 79 B6R1.2 C1=NC=C(I)[NH]1 AH-10005 [1,0,0,0,0,0|3,0,0]=4 80 B6R1.2 C1=N[NH]C(=C1)N AK-23634 [1,0,0,0,0,0|3,0,0]=4 81 B6R1.2 C1=N[NH]C=C1C AK-46480 [1,0,0,0,0,0|3,0,0]=4 82 B6R1.2 C1=N[N](C=N1)C AK-51663 [1,0,0,0,0,0|3,0,0]=4 83 B6R1.2 CC1=CN=CS1 AK-40769 [1,0,0,0,0,0|1,1,0]=3 84 B6R1.2 CC1=CNC=C1 AK-59534 [1,0,0,0,0,0|2,0,0]=3 85 B6R1.2 CC1=CNN=N1 AK-38543 [1,0,0,0,0,0|3,0,0]=4 86 B6R1.2 CC1=NC=CN1 AK-76902 [1,0,0,0,0,0|2,0,0]=3 87 B6R1.2 CC1=NN=CO1 AK-50870 [1,0,0,0,0,0|2,0,0]=3 88 B6R1.2 CC1=NNC=N1 AK-46139 [1,0,0,0,0,0|3,0,0]=4 89 B6R1.2 CC1=NON=C1 AK-49621 [1,0,0,0,0,0|3,0,0]=4 90 B6R1.2 CN1C=CN=N1 AK-60587 [1,0,0,0,0,0|3,0,0]=4 91 B6R1.2 ClC1=CC=NN1 AK132931 [1,0,0,0,0,0|3,0,0]=4 92 B6R1.2 ClC1=CSC=N1 AK-23769 [1,0,0,0,0,0|3,0,0]=4 93 B6R1.2 ClC1=NC=CN1 AK-60874 [1,0,0,0,0,0|3,0,0]=4 94 B6R1.2 ClC1=NNC=C1 AK-64806 [1,0,0,0,0,0|3,0,0]=4 95 B6R1.2 FC1=NC=CN1 AK143276 [1,0,0,0,0,0|3,0,0]=4 96 B6R1.2 IC1=CC=CS1 AK-77599 [1,0,0,0,0,0|1,1,0]=3 97 B6R1.2 IC1=NNC=C1 AK-31094 [1,0,0,0,0,0|3,0,0]=4 98 B6R1.2 N1=CC=C([NH]1)N AK-36860 [1,0,0,0,0,0|3,0,0]=4 99 B6R1.2 NC1=CC=NO1 AK-46390 [1,0,0,0,0,0|2,0,0]=3 100 B6R1.2 NC1=CN=CN1 AK110462 [1,0,0,0,0,0|3,0,0]=4 101 B6R1.2 NC1=CSC=N1 AK142332 [1,0,0,0,0,0|3,0,0]=4 102 B6R1.2 NC1=NC=CN1 AK112047 [1,0,0,0,0,0|3,0,0]=4 103 B6R1.2 NC1=NC=CO1 AK-25998 [1,0,0,0,0,0|2,0,0]=3 104 B6R1.2 NC1=NC=CS1 AK-44151 [1,0,0,0,0,0|2,1,0]=4 105 B6R1.2 NC1=NC=CS1 AK112070 [1,0,0,0,0,0|2,1,0]=4 106 B6R1.2 NC1=NOC=C1 AK-25502 [1,0,0,0,0,0|3,0,0]=4 107 B6R1.2 NN1C=CC=C1 AK-88561 [1,0,0,0,0,0|3,0,0]=4 108 B6R1.2 NN1N=CC=C1 AK-31764 [1,0,0,0,0,0|3,0,0]=4 109 B6R1.2 O=C1NC=CN1 AK-45238 [1,0,0,0,0,0|3,0,0]=4 110 B6R1.2 O=C1NNC=C1 AK-58738 [1,0,0,0,0,0|3,0,0]=4 111 B6R1.2 O=C1NSC=C1 AK101140 [1,0,0,0,0,0|3,0,0]=4 112 B6R1.2 O=C1OCC=C1 AK163254 [1,0,0,0,0,0|1,0,1]=3 113 B6R1.2 OC1=NC=CS1 AK-29553 [1,0,0,0,0,0|2,1,0]=4 114 B6R1.2 OC1=NNC=C1 AK-96005 [1,0,0,0,0,0|3,0,0]=4 115 B6R1.2 ON1N=CC=C1 AK115932 [1,0,0,0,0,0|3,0,0]=4 116 B6R1.2 S1C(=CN=C1)N AK-28900 [1,0,0,0,0,0|2,1,0]=4 117 B6R1.2 S=C1NC=CN1 AK134899 [1,0,0,0,0,0|3,0,0]=4 118 B8R1.1 BrC1=CC=C(S1)C#N AK-34110 [0,1,0,0,0,0|1,1,1]=4 119 B8R1.1 BrC1=NOC(=C1)CN AK-22028 [0,1,0,0,0,0|2,0,0]=3 120 B8R1.1 BrC1=NOC(C=O)=C1 AK-23688 [0,1,0,0,0,0|2,0,1]=4 121 B8R1.1 BrCC1=CN=C(Br)S1 AK-57693 [0,1,0,0,0,0|2,1,0]=4 122 B8R1.1 C1=C(N=C(S1)Br)CO AK-23616 [0,1,0,0,0,0|3,0,0]=4 123 B8R1.1 C1=C(N=C(S1)N)CCl AK-22008 [0,1,0,0,0,0|3,0,0]=4 124 B8R1.1 C1=C(SC(=C1)Br)C=O AK-35268 [0,1,0,0,0,0|1,1,1]=4 125 B8R1.1 C1=C(SC(=N1)Br)CO AK-23617 [0,1,0,0,0,0|2,1,0]=4 126 B8R1.1 CC1=CC(CO)=NO1 AK-29211 [0,1,0,0,0,0|3,0,0]=4 127 B8R1.1 CC1=CC=C(S1)C=O AK-30245 [0,1,0,0,0,0|1,1,1]=4 128 B8R1.1 CC1=CN=C(CC)N1 AK161824 [0,1,0,0,0,0|2,0,0]=3 129 B8R1.1 CC1=CSC(CC)=N1 AK114234 [0,1,0,0,0,0|1,1,0]=3 130 B8R1.1 CC1=NC(CBr)=CS1 AK174562 [0,1,0,0,0,0|3,0,0]=4 131 B8R1.1 CC1=NC=C(CBr)S1 AK143697 [0,1,0,0,0,0|2,1,0]=4 132 B8R1.1 CC1=NOC(CBr)=C1 AK-86975 [0,1,0,0,0,0|2,0,0]=3 133 B8R1.1 CC1=NOC(CO)=C1 AK105202 [0,1,0,0,0,0|2,0,0]=3 134 B8R1.1 CCC1=CC=C(C)S1 AK103790 [0,1,0,0,0,0|0,1,0]=2 135 B8R1.1 CCN1N=CC(Br)=C1 AK-61918 [0,1,0,0,0,0|2,0,0]=3 136 B8R1.1 CN1C=C(CCl)N=C1 AK142814 [0,1,0,0,0,0|3,0,0]=4 137 B8R1.1 CN1C=C[N+](CC)=C1 AK161828 [0,1,0,0,0,0|3,0,0]=4 138 B8R1.1 COC1=CC(=NO1)N AK-25770 [0,1,0,0,0,0|2,0,0]=3 139 B8R1.1 C[N+]1=CN(CC)C=C1 AK161830 [0,1,0,0,0,0|3,0,0]=4 140 B8R1.1 C[N+]1=CN(CC)C=C1 AK176161 [0,1,0,0,0,0|3,0,0]=4 141 B8R1.1 ClC1=CC=C(S1)C#C AK-59107 [0,1,0,0,0,0|0,1,2]=4 142 B8R1.1 ClC1=CSC(=C1)C#N AK-78287 [0,1,0,0,0,0|1,1,1]=4 143 B8R1.1 ClC1=NC=C(S1)CN AK-22135 [0,1,0,0,0,0|2,1,0]=4 144 B8R1.1 ClC1=NC=C(S1)CN AK-24052 [0,1,0,0,0,0|2,1,0]=4 145 B8R1.1 ClCC1=CC=C(Cl)S1 AK112065 [0,1,0,0,0,0|1,1,0]=3 146 B8R1.1 IC1=CNC(C=O)=C1 AK-76715 [0,1,0,0,0,0|2,0,1]=4 147 B8R1.1 IC1=CSC(C=O)=C1 AK-82084 [0,1,0,0,0,0|1,1,1]=4 148 B8R1.1 N#CC1=CC(Cl)=CN1 AK120657 [0,1,0,0,0,0|2,0,1]=4 149 B8R1.1 N#CC1=CC(N)=CS1 AK128560 [0,1,0,0,0,0|1,1,1]=4 150 B8R1.1 N#CC1=CC=C(Br)O1 AK145113 [0,1,0,0,0,0|1,0,1]=3 151 B8R1.1 N#CC1=CC=C(C)S1 AK128470 [0,1,0,0,0,0|1,1,1]=4 152 B8R1.1 N#CC1=CC=C(N)S1 AK128561 [0,1,0,0,0,0|1,1,1]=4 153 B8R1.1 NC1=CC(CC)=NN1 AK-31629 [0,1,0,0,0,0|2,0,0]=3 154 B8R1.1 NC1=CC(CC)=NO1 AK-86600 [0,1,0,0,0,0|2,0,0]=3 155 B8R1.1 NC1=NC(=CS1)CO AK-22009 [0,1,0,0,0,0|3,0,0]=4 156 B8R1.1 NC1=NC=C(CC)S1 AK112702 [0,1,0,0,0,0|1,1,0]=3 157 B8R1.1 NC1=NOC(CC)=C1 AK173167 [0,1,0,0,0,0|1,0,0]=2 158 B8R1.1 NCC1=CC(Br)=CS1 AK-77634 [0,1,0,0,0,0|1,1,0]=3 159 B8R1.1 NCC1=CC=C(Br)S1 AK-68661 [0,1,0,0,0,0|1,1,0]=3 160 B8R1.1 NCC1=CC=C(Cl)S1 AK170725 [0,1,0,0,0,0|1,1,0]=3 161 B8R1.1 NCC1=CN=C(Br)S1 AK164387 [0,1,0,0,0,0|2,1,0]=4 162 B8R1.1 NCC1=COC(C)=N1 AK668192 [0,1,0,0,0,0|3,0,0]=4 163 B8R1.1 NCC1=NOC(C)=C1 AK153364 [0,1,0,0,0,0|3,0,0]=4 164 B8R1.1 O=C1NCC(OC)=C1 AK142161 [0,1,0,0,0,0|3,0,0]=4 165 B8R1.1 O=CC1=CC(Br)=CO1 AK-79028 [0,1,0,0,0,0|1,0,1]=3 166 B8R1.1 O=CC1=CC(Br)=CS1 AK-33867 [0,1,0,0,0,0|1,1,1]=4 167 B8R1.1 O=CC1=CC=C(Br)O1 AK-32379 [0,1,0,0,0,0|1,0,1]=3 168 B8R1.1 O=CC1=CC=C(C)O1 AK-94177 [0,1,0,0,0,0|1,0,1]=3 169 B8R1.1 O=CC1=CC=C(Cl)O1 AK158080 [0,1,0,0,0,0|1,0,1]=3 170 B8R1.1 O=CC1=CC=C(Cl)S1 AK-48469 [0,1,0,0,0,0|1,1,1]=4 171 B8R1.1 O=CC1=CN=C(C)O1 AK-25452 [0,1,0,0,0,0|2,0,1]=4 172 B8R1.1 OCC1=CC(Br)=CS1 AK-36412 [0,1,0,0,0,0|1,1,0]=3 173 B8R1.1 OCC1=CC(Br)=NO1 AK-28028 [0,1,0,0,0,0|2,0,0]=3 174 B8R1.1 OCC1=CC=C(C)O1 AK135169 [0,1,0,0,0,0|1,0,0]=2 175 B8R1.1 OCC1=CN(C)C=N1 AK-44293 [0,1,0,0,0,0|3,0,0]=4 176 B8R1.1 OCC1=CN=C(C)O1 AK154941 [0,1,0,0,0,0|2,0,0]=3 177 B8R1.1 OCC1=CN=C(N)S1 AK-57568 [0,1,0,0,0,0|2,1,0]=4 178 B8R1.1 OCC1=CN=C(N)S1 AK164238 [0,1,0,0,0,0|2,1,0]=4 179 B8R1.1 OCC1=NC=C(C)S1 AK-48006 [0,1,0,0,0,0|2,1,0]=4 180 B8R1.1 OCC1=NN(C)C=C1 AK139734 [0,1,0,0,0,0|3,0,0]=4 181 B8R1.1 OCC1=NNC(N)=C1 AK145959 [0,1,0,0,0,0|3,0,0]=4 182 B8R1.7 C1=C(B(O)O)OC=C1 AK-47548 [0,1,0,0,0,0|2,0,0]=3 183 B8R1.7 C1=CSC(=N1)C(C)=O AK-46781 [0,1,0,0,0,0|1,1,1]=4 184 B8R1.7 CC(=O)C1=CC=CN1 AK-53458 [0,1,0,0,0,0|1,0,1]=3 185 B8R1.7 CC(=O)C1=CC=NO1 AK-68495 [0,1,0,0,0,0|1,0,1]=3 186 B8R1.7 CC(=O)C1=CSC=C1 AK-44537 [0,1,0,0,0,0|2,0,1]=4 187 B8R1.7 CC(C1=CC=CO1)C AK120816 [0,1,0,0,0,0|0,0,0]=1 188 B8R1.7 CC(C1=NC=CN1)C AK106223 [0,1,0,0,0,0|2,0,0]=3 189 B8R1.7 CC(N)C1=NC=CS1 AK-77903 [0,1,0,0,0,0|1,1,0]=3 190 B8R1.7 CC(N)C1=NC=CS1 AK-77904 [0,1,0,0,0,0|1,1,0]=3 191 B8R1.7 CC(N1C=CN=C1)C AK-79287 [0,1,0,0,0,0|3,0,0]=4 192 B8R1.7 CC(N1N=CC=C1)C AK-61646 [0,1,0,0,0,0|2,0,0]=3 193 B8R1.7 C[C@@H](N)C1=NC=CS1 AK153996 [0,1,0,0,0,0|1,1,0]=3 194 B8R1.7 C[C@H](N)C1=CC=CO1 AK544263 [0,1,0,0,0,0|0,0,0]=1 195 B8R1.7 C[C@H](N)C1=CC=CS1 AK486945 [0,1,0,0,0,0|0,1,0]=2 196 B8R1.7 C[C@H](N)C1=NC=CS1 AK153993 [0,1,0,0,0,0|1,1,0]=3 197 B8R1.7 O=C(C1=CC=CN1)O AK-44225 [0,1,0,0,0,0|2,0,1]=4 198 B8R1.7 O=C(C1=CC=CO1)O AK-72863 [0,1,0,0,0,0|1,0,1]=3 199 B8R1.7 O=C(C1=CC=CS1)[O-] AK110095 [0,1,0,0,0,0|1,1,1]=4 200 B8R1.7 O=C(C1=CC=NO1)O AK-25596 [0,1,0,0,0,0|2,0,1]=4 201 B8R1.7 O=C(C1=CN=CO1)O AK-28732 [0,1,0,0,0,0|2,0,1]=4 202 B8R1.7 O=C(C1=CNC=C1)C AK-45953 [0,1,0,0,0,0|2,0,1]=4 203 B8R1.7 O=C(C1=CNC=N1)C AK-45163 [0,1,0,0,0,0|2,0,1]=4 204 B8R1.7 O=C(C1=NC=CO1)[O-] AK-93393 [0,1,0,0,0,0|2,0,1]=4 205 B8R1.7 O=[N+](C1=CC=CN1)[O-] AK-77322 [0,1,0,0,0,0|3,0,0]=4 206 B8R1.7 OB(C1=CC=CS1)O AK-46314 [0,1,0,0,0,0|2,1,0]=4 207 B8R1.7 S1C=C(N=C1)C(C)=O AK-39395 [0,1,0,0,0,0|2,0,1]=4 208 B8R1.7 S=C(C1=CC=CS1)N AK-40144 [0,1,0,0,0,0|1,1,1]=4 209 B8R1.7 [O-]C(=O)C1=CC=CS1 AK111442 [0,1,0,0,0,0|1,1,1]=4 210 B8R1.8 C1=CN=C(CCC)[NH]1 AK-49074 [0,1,0,0,0,0|2,0,0]=3 211 B8R1.8 CCCC1=NC=CS1 AK-60893 [0,1,0,0,0,0|1,1,0]=3 212 B8R1.8 CCCN1C=CN=C1 AK111106 [0,1,0,0,0,0|3,0,0]=4 213 B8R1.8 CCOC1=NC=CS1 AK-79313 [0,1,0,0,0,0|1,1,0]=3 214 B8R1.8 CNCC1=CC=CS1 AK-16718 [0,1,0,0,0,0|0,1,0]=2 215 B8R1.8 CNCC1=CSC=C1 AK-49561 [0,1,0,0,0,0|2,0,0]=3 216 B8R1.8 COCN1C=CN=C1 AK116280 [0,1,0,0,0,0|3,0,0]=4 217 B8R1.8 ClCCC1=CN=CN1 AK-40927 [0,1,0,0,0,0|2,0,0]=3 218 B8R1.8 N#CCC1=CC=CS1 AK-93470 [0,1,0,0,0,0|0,1,1]=3 219 B8R1.8 N#CCC1=CSC=C1 AK-58785 [0,1,0,0,0,0|2,0,1]=4 220 B8R1.8 NCCC1=CC=CS1 AK-44822 [0,1,0,0,0,0|0,1,0]=2 221 B8R1.8 NCCC1=CN=CS1 AK140134 [0,1,0,0,0,0|1,1,0]=3 222 B8R1.8 NCCC1=CNC=N1 AK-29414 [0,1,0,0,0,0|2,0,0]=3 223 B8R1.8 NCCC1=CSC=C1 AK-28310 [0,1,0,0,0,0|2,0,0]=3 224 B8R1.8 NCCC1=CSC=C1 AK-49962 [0,1,0,0,0,0|2,0,0]=3 225 B8R1.8 NCCC1=NC=CN1 AK170004 [0,1,0,0,0,0|2,0,0]=3 226 B8R1.8 NCCN1C=CC=C1 AK-34573 [0,1,0,0,0,0|2,0,0]=3 227 B8R1.8 NCCN1C=CN=C1 AK-26623 [0,1,0,0,0,0|3,0,0]=4 228 B8R1.8 NCCN1C=CN=C1 AK-33443 [0,1,0,0,0,0|3,0,0]=4 229 B8R1.8 OCCC1=CC=CS1 AK-43981 [0,1,0,0,0,0|0,1,0]=2 230 B8R1.8 OCCC1=CN=CN1 AK144733 [0,1,0,0,0,0|2,0,0]=3 231 B8R1.8 OCCC1=CSC=C1 AK-68259 [0,1,0,0,0,0|2,0,0]=3 232 B8R1.8 OCCN1C=CN=C1 AK-63425 [0,1,0,0,0,0|3,0,0]=4 233 B8R1.8 [NH]1C=C(C=N1)CCO AK-33792 [0,1,0,0,0,0|3,0,0]=4 234 B8R1.11 BrC1=C(SC=N1)CO AK-24335 [0,1,0,0,0,0|2,1,0]=4 235 B8R1.11 CCC1=CNNC1=N AK-23672 [0,1,0,0,0,0|3,0,0]=4 236 B8R1.11 CCN1N=CC=C1N AK-57067 [0,1,0,0,0,0|2,0,0]=3 237 B8R1.11 CN1C=CN=C1CCl AK-45446 [0,1,0,0,0,0|3,0,0]=4 238 B8R1.11 CN1C=CN=C1CN AK-38431 [0,1,0,0,0,0|3,0,0]=4 239 B8R1.11 CSC1=C(C)OC=C1 AK307519 [0,1,0,0,0,0|3,0,0]=4 240 B8R1.11 CSC1=NC=CN1C AK175602 [0,1,0,0,0,0|3,0,0]=4 241 B8R1.11 ClC1=C(CBr)C=CS1 AK113906 [0,1,0,0,0,0|3,0,0]=4 242 B8R1.11 N#CC1=C(Br)C=CS1 AK-79307 [0,1,0,0,0,0|1,1,1]=4 243 B8R1.11 NC1=NNC=C1CC AK-75653 [0,1,0,0,0,0|3,0,0]=4 244 B8R1.11 NCC1=CC=CN1C AK-44946 [0,1,0,0,0,0|2,0,0]=3 245 B8R1.11 NCC1=CC=NN1C AK-76608 [0,1,0,0,0,0|3,0,0]=4 246 B8R1.11 O=CC1=C(Br)C=CS1 AK-36900 [0,1,0,0,0,0|1,1,1]=4 247 B8R1.11 OCC1=C(Br)C=CS1 AK327707 [0,1,0,0,0,0|1,1,0]=3 248 B8R1.11 OCC1=C(C)N=CN1 AK-34958 [0,1,0,0,0,0|3,0,0]=4 249 B8R1.11 OCC1=CC=NN1C AK-65816 [0,1,0,0,0,0|3,0,0]=4 250 B8R1.11 OCC1=NC=CN1C AK-23555 [0,1,0,0,0,0|3,0,0]=4 251 B6R0.1 O=C(OC)\C=C\I AK-49986 [0,0,1,0,0,0|2,0,1]=4 252 B8R1.2 BrCC1=CC=CN=C1 AK-44682 [0,0,0,0,0,1|2,0,0]=3 253 B8R1.2 BrCC1=CC=NC=C1 AK-40271 [0,0,0,0,0,1|2,0,0]=3 254 B8R1.2 BrCC1=CN=CN=C1 AK150782 [0,0,0,0,0,1|3,0,0]=4 255 B8R1.2 BrCC1=NC=CC=C1 AK-78919 [0,0,0,0,0,1|2,0,0]=3 256 B8R1.2 BrCC1=NC=CN=C1 AK143784 [0,0,0,0,0,1|2,0,0]=3 257 B8R1.2 BrCC1=NC=NC=C1 AK109329 [0,0,0,0,0,1|2,0,0]=3 258 B8R1.2 BrCC1=NN=CC=C1 AK-77169 [0,0,0,0,0,1|2,0,0]=3 259 B8R1.2 C#CC1=CC=CN=C1 AK-39524 [0,0,0,0,0,1|1,0,2]=4 260 B8R1.2 C#CC1=CC=NC=C1 AK-32285 [0,0,0,0,0,1|1,0,2]=4 261 B8R1.2 C#CC1=CC=NC=C1 AK-61719 [0,0,0,0,0,1|1,0,2]=4 262 B8R1.2 C#CC1=NC=CN=C1 AK185335 [0,0,0,0,0,1|1,0,2]=4 263 B8R1.2 C(#C)C1=NC=CC=N1 AK-34927 [0,0,0,0,0,1|1,0,2]=4 264 B8R1.2 C1=C(N=CC=C1)C#C AK-39840 [0,0,0,0,0,1|1,0,2]=4 265 B8R1.2 C1=C(N=CC=N1)CN AK-23965 [0,0,0,0,0,1|2,0,0]=3 266 B8R1.2 C1=CN=CC=C1OC AK-54547 [0,0,0,0,0,1|2,0,0]=3 267 B8R1.2 C1=NC=C(N=C1)CO AK-45812 [0,0,0,0,0,1|2,0,0]=3 268 B8R1.2 CC[N+]1=CC=CC=C1 AK607939 [0,0,0,0,0,1|2,0,0]=3 269 B8R1.2 CNC1=CC=CN=C1 AK-72893 [0,0,0,0,0,1|2,0,0]=3 270 B8R1.2 CNC1=CC=NN=C1 AK545083 [0,0,0,0,0,1|3,0,0]=4 271 B8R1.2 CNC1=NC=CC=N1 AK-27708 [0,0,0,0,0,1|2,0,0]=3 272 B8R1.2 COC1=CC=CN=C1 AK-76565 [0,0,0,0,0,1|2,0,0]=3 273 B8R1.2 COC1=CC=CN=N1 AK-28954 [0,0,0,0,0,1|2,0,0]=3 274 B8R1.2 COC1=CN=CN=C1 AK-31068 [0,0,0,0,0,1|3,0,0]=4 275 B8R1.2 CSC1=NC=CN=C1 AK-41535 [0,0,0,0,0,1|2,0,0]=3 276 B8R1.2 CSC1=NC=CN=N1 AK-48101 [0,0,0,0,0,1|3,0,0]=4 277 B8R1.2 ClCC1=NC=CC=N1 AK-29240 [0,0,0,0,0,1|2,0,0]=3 278 B8R1.2 ICC1=CC=CC=C1 AK-54444 [0,0,0,0,0,1|2,0,0]=3 279 B8R1.2 N#CC1=CC=CC=C1 AK-49389 [0,0,0,0,0,1|2,0,1]=4 280 B8R1.2 N#CC1=CC=NC=C1 AK-76782 [0,0,0,0,0,1|2,0,1]=4 281 B8R1.2 N#CC1=CN=CC=C1 AK-76753 [0,0,0,0,0,1|2,0,1]=4 282 B8R1.2 N#CC1=NC=CC=C1 AK-76752 [0,0,0,0,0,1|2,0,1]=4 283 B8R1.2 N#CC1=NC=CN=C1 AK-47995 [0,0,0,0,0,1|2,0,1]=4 284 B8R1.2 N1=C(N=CC=C1)CN AK-23656 [0,0,0,0,0,1|2,0,0]=3 285 B8R1.2 N1=CN=C(C=C1)C=O AK-23925 [0,0,0,0,0,1|2,0,1]=4 286 B8R1.2 NCC1=CC=NC=C1 AK-25866 [0,0,0,0,0,1|2,0,0]=3 287 B8R1.2 NCC1=CC=NC=C1 AK-50006 [0,0,0,0,0,1|2,0,0]=3 288 B8R1.2 NCC1=CC=NN=C1 AK-23789 [0,0,0,0,0,1|3,0,0]=4 289 B8R1.2 NCC1=CN=CN=C1 AK164227 [0,0,0,0,0,1|3,0,0]=4 290 B8R1.2 NCC1=NC=CC=N1 AK-73144 [0,0,0,0,0,1|2,0,0]=3 291 B8R1.2 NCC1=NC=CN=C1 AK-50813 [0,0,0,0,0,1|2,0,0]=3 292 B8R1.2 NCC1=NC=NC=C1 AK-23966 [0,0,0,0,0,1|2,0,0]=3 293 B8R1.2 NNC1=CC=CC=C1 AK114548 [0,0,0,0,0,1|3,0,0]=4 294 B8R1.2 NNC1=CC=CN=C1 AK-40869 [0,0,0,0,0,1|3,0,0]=4 295 B8R1.2 NNC1=CC=CN=C1 AK-75799 [0,0,0,0,0,1|3,0,0]=4 296 B8R1.2 NNC1=CC=CN=N1 AK110987 [0,0,0,0,0,1|3,0,0]=4 297 B8R1.2 NNC1=CC=NC=C1 AK-51295 [0,0,0,0,0,1|3,0,0]=4 298 B8R1.2 NNC1=NC=CC=C1 AK-26026 [0,0,0,0,0,1|3,0,0]=4 299 B8R1.2 NNC1=NC=CC=N1 AK-81374 [0,0,0,0,0,1|3,0,0]=4 300 B8R1.2 NNC1=NC=CN=C1 AK-44383 [0,0,0,0,0,1|3,0,0]=4 301 B8R1.2 NOC1=CC=CC=C1 AK-77703 [0,0,0,0,0,1|3,0,0]=4 302 B8R1.2 O=CC1=CC=NC=C1 AK-50192 [0,0,0,0,0,1|2,0,1]=4 303 B8R1.2 OCC1=CC=CN=C1 AK-46173 [0,0,0,0,0,1|2,0,0]=3 304 B8R1.2 OCC1=CC=NC=C1 AK-44706 [0,0,0,0,0,1|2,0,0]=3 305 B8R1.2 OCC1=CC=NC=C1 AK175384 [0,0,0,0,0,1|2,0,0]=3 306 B8R1.2 OCC1=CN=CN=C1 AK-32022 [0,0,0,0,0,1|3,0,0]=4 307 B8R1.2 OCC1=NC=CC=C1 AK-53905 [0,0,0,0,0,1|2,0,0]=3 308 B8R1.2 OCC1=NC=CC=N1 AK-25156 [0,0,0,0,0,1|2,0,0]=3 309 B8R1.2 OCC1=NC=NC=C1 AK-31889 [0,0,0,0,0,1|2,0,0]=3 310 B8R1.2 ONC1=CC=CC=C1 AK139965 [0,0,0,0,0,1|3,0,0]=4 311 B5R0.3 C=CC(NC)=O AK115593 [1,0,1,0,0,0|1,0,1]=4 312 B5R0.3 NOC(C=C)C AK550274 [1,0,1,0,0,0|1,0,1]=4 313 B5R1.1 N1C=CN=C1 AK-68419 [2,0,0,0,0,0|2,0,0]=4 314 B5R1.1 N1N=CC=C1 AK-80047 [2,0,0,0,0,0|2,0,0]=4 315 B7R0.7 O=C(OCC)\C=C\I AK117013 [0,1,1,0,0,0|1,0,1]=4 316 B7R0.4 C\C=C\C=C\C([O-])=O AK-47286 [0,1,1,0,0,0|0,0,2]=4 317 B7R0.4 O=C(O)\C=C\OCC AK-46090 [0,1,1,0,0,0|1,0,0]=3 318 B7R1.2 BrC1=CSC(=C1)C AK-28080 [1,1,0,0,0,0|0,1,0]=3 319 B7R1.2 BrC1=NC=C(S1)C AK-23612 [1,1,0,0,0,0|1,1,0]=4 320 B7R1.2 C1=C(Br)C=N[N]1C AK-26682 [1,1,0,0,0,0|2,0,0]=4 321 B7R1.2 C1=C(Br)SC(=C1)Br AK-46301 [1,1,0,0,0,0|1,1,0]=4 322 B7R1.2 C1=C(C)N=C(N)S1 AK-33524 [1,1,0,0,0,0|2,0,0]=4 323 B7R1.2 C1=C(C)SC(=N1)C AK-46393 [1,1,0,0,0,0|1,1,0]=4 324 B7R1.2 C1=C(C)[NH]N=C1C AK-50030 [1,1,0,0,0,0|2,0,0]=4 325 B7R1.2 C1=C(N=C(C)S1)C AK-35570 [1,1,0,0,0,0|1,1,0]=4 326 B7R1.2 C1=C(SC(=C1)Br)C AK-36324 [1,1,0,0,0,0|0,1,0]=3 327 B7R1.2 C1=C(SC(=N1)N)C AK-26992 [1,1,0,0,0,0|1,1,0]=4 328 B7R1.2 C1=C([NH]C(=N1)C)C AK-36899 [1,1,0,0,0,0|2,0,0]=4 329 B7R1.2 C1=C[N](N=C1C)C AK-47383 [1,1,0,0,0,0|2,0,0]=4 330 B7R1.2 C1=C[N](N=C1N)C AK-25543 [1,1,0,0,0,0|2,0,0]=4 331 B7R1.2 C1=N[N](C=C1C)C AK-47523 [1,1,0,0,0,0|2,0,0]=4 332 B7R1.2 CC1=CC(Br)=NN1 AK-49142 [1,1,0,0,0,0|2,0,0]=4 333 B7R1.2 CC1=CC(Br)=NO1 AK-34396 [1,1,0,0,0,0|1,0,0]=3 334 B7R1.2 CC1=CC(I)=NN1 AK100667 [1,1,0,0,0,0|2,0,0]=4 335 B7R1.2 CC1=CC(N)=NO1 AK-32792 [1,1,0,0,0,0|1,0,0]=3 336 B7R1.2 CC1=CN=C(Cl)S1 AK-34726 [1,1,0,0,0,0|1,1,0]=4 337 B7R1.2 CC1=CNC(I)=N1 AK113414 [1,1,0,0,0,0|2,0,0]=4 338 B7R1.2 CC1=CSC(Br)=N1 AK-23607 [1,1,0,0,0,0|2,0,0]=4 339 B7R1.2 CC1=NC=C(I)[NH]1 AK-32021 [1,1,0,0,0,0|2,0,0]=4 340 B7R1.2 CC1=NN=C(Br)O1 AK154074 [1,1,0,0,0,0|2,0,0]=4 341 B7R1.2 CC1=NN=C(C)O1 AK-54981 [1,1,0,0,0,0|2,0,0]=4 342 B7R1.2 CC1=NNC(Br)=C1 AK100666 [1,1,0,0,0,0|2,0,0]=4 343 B7R1.2 CC1=NNC(Cl)=C1 AK-80228 [1,1,0,0,0,0|2,0,0]=4 344 B7R1.2 CC1=NNC(N)=C1 AK111310 [1,1,0,0,0,0|2,0,0]=4 345 B7R1.2 CC1=NOC(N)=C1 AK-33327 [1,1,0,0,0,0|2,0,0]=4 346 B7R1.2 CN1C=CC(I)=N1 AK-86815 [1,1,0,0,0,0|2,0,0]=4 347 B7R1.2 CN1N=C(Br)C=C1 AK-28794 [1,1,0,0,0,0|2,0,0]=4 348 B7R1.2 CN1N=CC(I)=C1 AK-54604 [1,1,0,0,0,0|2,0,0]=4 349 B7R1.2 C[N]1C=C(C=N1)N AK-30314 [1,1,0,0,0,0|2,0,0]=4 350 B7R1.2 ClC1=CC=C(Cl)S1 AK112943 [1,1,0,0,0,0|1,1,0]=4 351 B7R1.2 ClC1=CC=C(I)S1 AK-82112 [1,1,0,0,0,0|1,1,0]=4 352 B7R1.2 ClC1=C[N](N=C1)C AK-49050 [1,1,0,0,0,0|2,0,0]=4 353 B7R1.2 NC1=CN(C)N=C1 AK-40078 [1,1,0,0,0,0|2,0,0]=4 354 B7R1.2 NC1=CN=C(C)S1 AK-85981 [1,1,0,0,0,0|1,1,0]=4 355 B7R1.2 NC1=CSC(C)=N1 AK165023 [1,1,0,0,0,0|1,1,0]=4 356 B7R1.2 NC1=NN=C(C)O1 AK-35499 [1,1,0,0,0,0|2,0,0]=4 357 B7R1.2 NC1=NNC(C)=C1 AK-29128 [1,1,0,0,0,0|2,0,0]=4 358 B7R1.2 NC1=NOC(C)=N1 AK-94935 [1,1,0,0,0,0|2,0,0]=4 359 B7R1.2 O=C1COC(C)=C1 AK142223 [1,1,0,0,0,0|0,0,1]=3 360 B7R1.2 O=C1NN(C)C=C1 AK-67583 [1,1,0,0,0,0|2,0,0]=4 361 B7R1.2 O=C1NNC(C)=C1 AK-25972 [1,1,0,0,0,0|2,0,0]=4 362 B7R1.2 O=C1NOC(C)=C1 AK158281 [1,1,0,0,0,0|1,0,0]=3 363 B7R1.2 O=C1OC(C)=CC1 AK601784 [1,1,0,0,0,0|0,0,1]=3 364 B7R1.2 OC1=CN(C)N=C1 AK311462 [1,1,0,0,0,0|2,0,0]=4 365 B7R1.4 BrC1=C(I)SC=C1 AK-81714 [1,1,0,0,0,0|1,1,0]=4 366 B7R1.4 BrC1=CC=N[N]1C AK-34841 [1,1,0,0,0,0|2,0,0]=4 367 B7R1.4 C1=C(N)[N](C)N=C1 AK-23556 [1,1,0,0,0,0|2,0,0]=4 368 B7R1.4 C1=CC(=C(S1)Br)C AK-46588 [1,1,0,0,0,0|1,1,0]=4 369 B7R1.4 C1=CSC(=C1Br)Br AK-25755 [1,1,0,0,0,0|1,1,0]=4 370 B7R1.4 CC1=C(Br)C=NO1 AK112982 [1,1,0,0,0,0|1,0,0]=3 371 B7R1.4 CC1=C(Br)NC=N1 AK-92496 [1,1,0,0,0,0|2,0,0]=4 372 B7R1.4 CC1=C(Br)SC=N1 AK-40873 [1,1,0,0,0,0|2,0,0]=4 373 B7R1.4 CC1=C(C)N=CN1 AK157739 [1,1,0,0,0,0|2,0,0]=4 374 B7R1.4 CC1=C(C)N=CS1 AK-46395 [1,1,0,0,0,0|1,1,0]=4 375 B7R1.4 CC1=C(I)NC=N1 AK128524 [1,1,0,0,0,0|2,0,0]=4 376 B7R1.4 CC1=CC=NN1C AK-36127 [1,1,0,0,0,0|2,0,0]=4 377 B7R1.4 CC1=CNN=C1C AK111434 [1,1,0,0,0,0|2,0,0]=4 378 B7R1.4 CC1=CNN=C1C AK117330 [1,1,0,0,0,0|2,0,0]=4 379 B7R1.4 CC1=CSC=C1Br AK-34597 [1,1,0,0,0,0|2,0,0]=4 380 B7R1.4 CC1=CSC=C1C AK-45919 [1,1,0,0,0,0|2,0,0]=4 381 B7R1.4 CC1=NNC=C1Br AK-24746 [1,1,0,0,0,0|2,0,0]=4 382 B7R1.4 CC1=NNC=C1I AK-73045 [1,1,0,0,0,0|2,0,0]=4 383 B7R1.4 CN1C=CN=C1C AK-60401 [1,1,0,0,0,0|2,0,0]=4 384 B7R1.4 ClC1=C(Br)C=CS1 AK-25922 [1,1,0,0,0,0|1,1,0]=4 385 B7R1.4 ClC1=C(Br)SC=C1 AK-93781 [1,1,0,0,0,0|1,1,0]=4 386 B7R1.4 IC1=CC=N[N]1C AK-34754 [1,1,0,0,0,0|2,0,0]=4 387 B7R1.4 O=C1N(C)NC=C1 AK113037 [1,1,0,0,0,0|2,0,0]=4 388 B7R1.4 O=C1N(C)SC=C1 AK682465 [1,1,0,0,0,0|1,1,0]=4 389 B7R1.4 OC1=CC=N[N]1C AK-39760 [1,1,0,0,0,0|2,0,0]=4 390 B9R1.1 BrC1=CN=C(C=C1)CC AK-34965 [0,1,0,0,0,1|1,0,0]=3 391 B9R1.1 BrC1=CN=C(C=C1)NC AK-46585 [0,1,0,0,0,1|2,0,0]=4 392 B9R1.1 BrC1=CN=C(N=C1)SC AK-25120 [0,1,0,0,0,1|2,0,0]=4 393 B9R1.1 BrC1=NC=C(C=C1)OC AK-25274 [0,1,0,0,0,1|2,0,0]=4 394 B9R1.1 BrCC1=CN=C(C=C1)Cl AK-28919 [0,1,0,0,0,1|2,0,0]=4 395 B9R1.1 BrCC1=NC=C(Br)C=N1 AK145130 [0,1,0,0,0,1|2,0,0]=4 396 B9R1.1 BrCC1=NN=C(Br)C=C1 AK149473 [0,1,0,0,0,1|2,0,0]=4 397 B9R1.1 C1=C(C=CC(=C1)CN)O AK-47356 [0,1,0,0,0,1|2,0,0]=4 398 B9R1.1 C1=C(C=NC(=C1)CO)Br AK-26386 [0,1,0,0,0,1|2,0,0]=4 399 B9R1.1 C1=C(C=NC(=N1)OC)Br AK-27180 [0,1,0,0,0,1|2,0,0]=4 400 B9R1.1 C1=C(N)C=NC(=N1)OC AK-27272 [0,1,0,0,0,1|2,0,0]=4 401 B9R1.1 C1=CC(=CC=C1Br)CC AK-47528 [0,1,0,0,0,1|1,0,0]=3 402 B9R1.1 C1=CC(=CC=C1CO)O AK-47325 [0,1,0,0,0,1|2,0,0]=4 403 B9R1.1 C1=CC(=CC=C1I)NC AK-39846 [0,1,0,0,0,1|2,0,0]=4 404 B9R1.1 C1=CC(=CN=C1OC)Br AK-32435 [0,1,0,0,0,1|2,0,0]=4 405 B9R1.1 C1=CC(=CN=C1OC)N AK-24754 [0,1,0,0,0,1|2,0,0]=4 406 B9R1.1 C1=CC(=NC=C1CO)Cl AK-28987 [0,1,0,0,0,1|2,0,0]=4 407 B9R1.1 C1=CC(=NN=C1NC)Cl AK-41790 [0,1,0,0,0,1|2,0,0]=4 408 B9R1.1 C1=CC(=NN=C1OC)Br AK-31439 [0,1,0,0,0,1|2,0,0]=4 409 B9R1.1 CC1=CC=C(CO)C=N1 AK-78311 [0,1,0,0,0,1|2,0,0]=4 410 B9R1.1 CC1=CN=C(C=N1)CO AK-24727 [0,1,0,0,0,1|2,0,0]=4 411 B9R1.1 CC1=CN=C(CCl)C=N1 AK138019 [0,1,0,0,0,1|2,0,0]=4 412 B9R1.1 CC1=CN=C(CCl)N=C1 AK-76612 [0,1,0,0,0,1|2,0,0]=4 413 B9R1.1 CC1=CN=C(OC)C=C1 AK-58301 [0,1,0,0,0,1|2,0,0]=4 414 B9R1.1 CC1=NC=C(CBr)C=C1 AK139052 [0,1,0,0,0,1|2,0,0]=4 415 B9R1.1 CC1=NC=C(CCl)C=C1 AK123163 [0,1,0,0,0,1|2,0,0]=4 416 B9R1.1 CC1=NN=C(OC)C=C1 AK136314 [0,1,0,0,0,1|2,0,0]=4 417 B9R1.1 CCC1=CN=C(C=N1)C AK-58106 [0,1,0,0,0,1|1,0,0]=3 418 B9R1.1 CCC1=CN=C(Cl)C=C1 AK-48582 [0,1,0,0,0,1|1,0,0]=3 419 B9R1.1 CCC1=CN=C(N)N=C1 AK-31902 [0,1,0,0,0,1|2,0,0]=4 420 B9R1.1 CCC1=NC=C(Cl)C=C1 AK134672 [0,1,0,0,0,1|1,0,0]=3 421 B9R1.1 CNC1=CC=C(Cl)C=C1 AK129065 [0,1,0,0,0,1|2,0,0]=4 422 B9R1.1 CNC1=CC=C(F)C=C1 AK-87253 [0,1,0,0,0,1|2,0,0]=4 423 B9R1.1 CNC1=NC=C(Br)C=N1 AK-22027 [0,1,0,0,0,1|2,0,0]=4 424 B9R1.1 CNC1=NC=C(Br)N=C1 AK136913 [0,1,0,0,0,1|2,0,0]=4 425 B9R1.1 CNC1=NC=C(Cl)C=C1 AK123580 [0,1,0,0,0,1|2,0,0]=4 426 B9R1.1 CNC1=NN=C(Br)C=C1 AK125401 [0,1,0,0,0,1|2,0,0]=4 427 B9R1.1 COC1=CC=C(Cl)C=C1 AK116963 [0,1,0,0,0,1|2,0,0]=4 428 B9R1.1 COC1=CC=C(I)C=C1 AK-44747 [0,1,0,0,0,1|2,0,0]=4 429 B9R1.1 COC1=CC=C(O)C=C1 AK-46469 [0,1,0,0,0,1|2,0,0]=4 430 B9R1.1 COC1=CN=C(Br)C=N1 AK-24261 [0,1,0,0,0,1|2,0,0]=4 431 B9R1.1 COC1=CN=C(Cl)C=C1 AK-33219 [0,1,0,0,0,1|2,0,0]=4 432 B9R1.1 COC1=CN=C(F)C=C1 AK-61561 [0,1,0,0,0,1|2,0,0]=4 433 B9R1.1 COC1=NC=C(Cl)C=C1 AK-44270 [0,1,0,0,0,1|2,0,0]=4 434 B9R1.1 COC1=NC=C(Cl)C=N1 AK-53370 [0,1,0,0,0,1|2,0,0]=4 435 B9R1.1 COC1=NC=C(Cl)N=C1 AK-64586 [0,1,0,0,0,1|2,0,0]=4 436 B9R1.1 COC1=NC=C(F)C=C1 AK-27023 [0,1,0,0,0,1|2,0,0]=4 437 B9R1.1 COC1=NC=C(I)C=C1 AK-58302 [0,1,0,0,0,1|2,0,0]=4 438 B9R1.1 COC1=NC=C(I)C=N1 AK143508 [0,1,0,0,0,1|2,0,0]=4 439 B9R1.1 COC1=NN=C(Cl)C=C1 AK-28238 [0,1,0,0,0,1|2,0,0]=4 440 B9R1.1 COC1=NN=C(I)C=C1 AK-63985 [0,1,0,0,0,1|2,0,0]=4 441 B9R1.1 CSC1=CN=C(Br)C=N1 AK-47704 [0,1,0,0,0,1|2,0,0]=4 442 B9R1.1 CSC1=CN=C(N)C=C1 AK-40039 [0,1,0,0,0,1|2,0,0]=4 443 B9R1.1 ClC1=CN=C(CBr)C=C1 AK164355 [0,1,0,0,0,1|2,0,0]=4 444 B9R1.1 ClC1=NC=C(C=N1)CC AK-32848 [0,1,0,0,0,1|2,0,0]=4 445 B9R1.1 ClCC1=NC=C(Br)C=C1 AK-47143 [0,1,0,0,0,1|2,0,0]=4 446 B9R1.1 ClCC1=NN=C(Cl)C=C1 AK160378 [0,1,0,0,0,1|2,0,0]=4 447 B9R1.1 IC1=CC=C(CBr)C=C1 AK-54650 [0,1,0,0,0,1|2,0,0]=4 448 B9R1.1 IC1=CC=C(CC)C=C1 AK121966 [0,1,0,0,0,1|1,0,0]=3 449 B9R1.1 NC1=CC=C(C=N1)CO AK-29786 [0,1,0,0,0,1|2,0,0]=4 450 B9R1.1 NC1=CC=C(CC)N=C1 AK-78651 [0,1,0,0,0,1|1,0,0]=3 451 B9R1.1 NC1=CC=C(NC)C=C1 AK-86240 [0,1,0,0,0,1|2,0,0]=4 452 B9R1.1 NC1=CN=C(NC)C=C1 AK-75542 [0,1,0,0,0,1|2,0,0]=4 453 B9R1.1 NC1=CN=C(NC)C=C1 AK141591 [0,1,0,0,0,1|2,0,0]=4 454 B9R1.1 NC1=NC=C(C=C1)OC AK-27987 [0,1,0,0,0,1|2,0,0]=4 455 B9R1.1 NC1=NC=C(N=C1)CC AK-26631 [0,1,0,0,0,1|1,0,0]=3 456 B9R1.1 NC1=NC=C(N=C1)OC AK-24108 [0,1,0,0,0,1|2,0,0]=4 457 B9R1.1 NCC1=CC=C(Br)C=C1 AK-46356 [0,1,0,0,0,1|2,0,0]=4 458 B9R1.1 NCC1=CC=C(Br)C=C1 AK-49170 [0,1,0,0,0,1|2,0,0]=4 459 B9R1.1 NCC1=CC=C(Br)N=C1 AK-27657 [0,1,0,0,0,1|2,0,0]=4 460 B9R1.1 NCC1=CC=C(Cl)C=C1 AK-44456 [0,1,0,0,0,1|2,0,0]=4 461 B9R1.1 NCC1=CC=C(F)N=C1 AK-67908 [0,1,0,0,0,1|2,0,0]=4 462 B9R1.1 NCC1=CC=C(I)C=C1 AK-81624 [0,1,0,0,0,1|2,0,0]=4 463 B9R1.1 NCC1=NC=C(Br)C=C1 AK-31901 [0,1,0,0,0,1|2,0,0]=4 464 B9R1.1 NCC1=NC=C(Br)C=C1 AK142316 [0,1,0,0,0,1|2,0,0]=4 465 B9R1.1 NCC1=NC=C(Br)C=N1 AK163395 [0,1,0,0,0,1|2,0,0]=4 466 B9R1.1 NCC1=NC=C(C)C=C1 AK150805 [0,1,0,0,0,1|2,0,0]=4 467 B9R1.1 NCC1=NC=C(Cl)C=C1 AK105180 [0,1,0,0,0,1|2,0,0]=4 468 B9R1.1 NCC1=NC=C(Cl)C=C1 AK145140 [0,1,0,0,0,1|2,0,0]=4 469 B9R1.1 NCC1=NC=C(Cl)C=N1 AK159181 [0,1,0,0,0,1|2,0,0]=4 470 B9R1.1 NCC1=NC=C(F)C=C1 AK145177 [0,1,0,0,0,1|2,0,0]=4 471 B9R1.1 NCC1=NC=C(F)C=N1 AK173055 [0,1,0,0,0,1|2,0,0]=4 472 B9R1.1 NCC1=NN=C(Cl)C=C1 AK-24540 [0,1,0,0,0,1|2,0,0]=4 473 B9R1.1 O=C1C=CC(CO)=CN1 AK-29768 [0,1,0,0,0,1|2,0,0]=4 474 B9R1.1 OC1=CC=C(CO)N=C1 AK-68040 [0,1,0,0,0,1|2,0,0]=4 475 B9R1.1 OC1=CN=C(C=C1)OC AK-26060 [0,1,0,0,0,1|2,0,0]=4 476 B9R1.1 OC1=NN=C(CN)C=C1 AK601362 [0,1,0,0,0,1|2,0,0]=4 477 B9R1.1 OCC1=CC=C(Br)C=C1 AK-93775 [0,1,0,0,0,1|2,0,0]=4 478 B9R1.1 OCC1=CC=C(Br)N=C1 AK-28751 [0,1,0,0,0,1|2,0,0]=4 479 B9R1.1 OCC1=CC=C(C)C=C1 AK-92302 [0,1,0,0,0,1|2,0,0]=4 480 B9R1.1 OCC1=CC=C(Cl)C=C1 AK-94754 [0,1,0,0,0,1|2,0,0]=4 481 B9R1.1 OCC1=CC=C(Cl)N=N1 AK100622 [0,1,0,0,0,1|2,0,0]=4 482 B9R1.1 OCC1=CC=C(F)N=C1 AK-76831 [0,1,0,0,0,1|2,0,0]=4 483 B9R1.1 OCC1=CC=C(I)C=C1 AK-72872 [0,1,0,0,0,1|2,0,0]=4 484 B9R1.1 OCC1=CC=C(N)C=C1 AK-51503 [0,1,0,0,0,1|2,0,0]=4 485 B9R1.1 OCC1=NC=C(Br)C=N1 AK-78448 [0,1,0,0,0,1|2,0,0]=4 486 B9R1.1 OCC1=NC=C(Cl)C=C1 AK136128 [0,1,0,0,0,1|2,0,0]=4 487 B9R1.1 OCC1=NC=C(Cl)N=C1 AK-43110 [0,1,0,0,0,1|2,0,0]=4 488 B9R1.1 OCC1=NC=C(F)C=C1 AK-36421 [0,1,0,0,0,1|2,0,0]=4 489 B9R1.2 BrC1=CC(=CN=C1)CC AK-54800 [0,1,0,0,0,1|1,0,0]=3 490 B9R1.2 BrC1=CC(=NC=C1)CN AK-30719 [0,1,0,0,0,1|2,0,0]=4 491 B9R1.2 BrC1=CN=CC(=C1)CO AK-29246 [0,1,0,0,0,1|2,0,0]=4 492 B9R1.2 BrC1=NC(=CC=N1)OC AK-27677 [0,1,0,0,0,1|2,0,0]=4 493 B9R1.2 BrC1=NC(=NC=C1)NC AK-31813 [0,1,0,0,0,1|2,0,0]=4 494 B9R1.2 BrC1=NC=CC(=C1)CO AK-25314 [0,1,0,0,0,1|2,0,0]=4 495 B9R1.2 BrCC1=CC(Br)=NC=C1 AK-53557 [0,1,0,0,0,1|2,0,0]=4 496 B9R1.2 BrCC1=CC(I)=CC=C1 AK-54649 [0,1,0,0,0,1|2,0,0]=4 497 B9R1.2 BrCC1=CC=CC(Br)=N1 AK-48524 [0,1,0,0,0,1|2,0,0]=4 498 B9R1.2 C1=C(C=CN=C1OC)N AK-28456 [0,1,0,0,0,1|2,0,0]=4 499 B9R1.2 C1=C(CO)C=CC=C1N AK-50595 [0,1,0,0,0,1|2,0,0]=4 500 B9R1.2 C1=C(Cl)N=CN=C1NC AK-26232 [0,1,0,0,0,1|2,0,0]=4 501 B9R1.2 C1=C(N=CN=C1OC)N AK-27724 [0,1,0,0,0,1|2,0,0]=4 502 B9R1.2 C1=C(OC)N=C(N=C1)N AK-22144 [0,1,0,0,0,1|2,0,0]=4 503 B9R1.2 C1=C(OC)N=CN=C1Cl AK-23765 [0,1,0,0,0,1|2,0,0]=4 504 B9R1.2 C1=CC=C(N=C1OC)Br AK-25939 [0,1,0,0,0,1|2,0,0]=4 505 B9R1.2 C1=CC=C(N=C1OC)C AK-44038 [0,1,0,0,0,1|2,0,0]=4 506 B9R1.2 C1=CC=C(N=C1OC)Cl AK-25492 [0,1,0,0,0,1|2,0,0]=4 507 B9R1.2 CC1=CC(CCl)=NC=C1 AK-74194 [0,1,0,0,0,1|2,0,0]=4 508 B9R1.2 CC1=CC(CO)=NC=C1 AK-74173 [0,1,0,0,0,1|2,0,0]=4 509 B9R1.2 CC1=CC(OC)=NC=C1 AK-39493 [0,1,0,0,0,1|2,0,0]=4 510 B9R1.2 CC1=CC(OC)=NC=N1 AK340251 [0,1,0,0,0,1|2,0,0]=4 511 B9R1.2 CC1=CC=CC(CBr)=N1 AK-44889 [0,1,0,0,0,1|2,0,0]=4 512 B9R1.2 CC1=CC=CC(CCl)=N1 AK-40015 [0,1,0,0,0,1|2,0,0]=4 513 B9R1.2 CC1=CN=CC(CBr)=C1 AK-56105 [0,1,0,0,0,1|2,0,0]=4 514 B9R1.2 CC1=NC=CC(OC)=N1 AK-59113 [0,1,0,0,0,1|2,0,0]=4 515 B9R1.2 CCC1=CC(N)=NC=C1 AK-29170 [0,1,0,0,0,1|1,0,0]=3 516 B9R1.2 CCC1=CC=CC(Br)=C1 AK111102 [0,1,0,0,0,1|1,0,0]=3 517 B9R1.2 CCC1=CC=CC(Br)=N1 AK-65167 [0,1,0,0,0,1|1,0,0]=3 518 B9R1.2 CCC1=NC=CC(Br)=C1 AK129552 [0,1,0,0,0,1|1,0,0]=3 519 B9R1.2 CNC1=CC(Br)=NC=C1 AK161537 [0,1,0,0,0,1|2,0,0]=4 520 B9R1.2 CNC1=CC=CC(Br)=C1 AK112706 [0,1,0,0,0,1|2,0,0]=4 521 B9R1.2 CNC1=NC(Cl)=CC=C1 AK-48574 [0,1,0,0,0,1|2,0,0]=4 522 B9R1.2 CNC1=NC(Cl)=NC=C1 AK115794 [0,1,0,0,0,1|2,0,0]=4 523 B9R1.2 CNC1=NC=CC(Br)=C1 AK141589 [0,1,0,0,0,1|2,0,0]=4 524 B9R1.2 COC1=CC(Br)=CC=C1 AK-76817 [0,1,0,0,0,1|2,0,0]=4 525 B9R1.2 COC1=CC(Br)=NC=C1 AK-36780 [0,1,0,0,0,1|2,0,0]=4 526 B9R1.2 COC1=CC(C)=NC=C1 AK-67862 [0,1,0,0,0,1|2,0,0]=4 527 B9R1.2 COC1=CC(Cl)=CC=C1 AK106212 [0,1,0,0,0,1|2,0,0]=4 528 B9R1.2 COC1=CC(Cl)=NC=C1 AK-25114 [0,1,0,0,0,1|2,0,0]=4 529 B9R1.2 COC1=CC=CC(F)=N1 AK130132 [0,1,0,0,0,1|2,0,0]=4 530 B9R1.2 COC1=CN=CC(=C1)O AK-28499 [0,1,0,0,0,1|2,0,0]=4 531 B9R1.2 COC1=CN=CC(Br)=C1 AK-26045 [0,1,0,0,0,1|2,0,0]=4 532 B9R1.2 COC1=CN=CC(I)=N1 AK-94548 [0,1,0,0,0,1|2,0,0]=4 533 B9R1.2 COC1=NC(Cl)=NC=C1 AK-25127 [0,1,0,0,0,1|2,0,0]=4 534 B9R1.2 COC1=NC=CC(=O)N1 AK-25126 [0,1,0,0,0,1|2,0,0]=4 535 B9R1.2 COC1=NC=CC(Br)=C1 AK-47404 [0,1,0,0,0,1|2,0,0]=4 536 B9R1.2 COC1=NC=CC(F)=C1 AK-77188 [0,1,0,0,0,1|2,0,0]=4 537 B9R1.2 COC1=NC=CC(I)=C1 AK-37008 [0,1,0,0,0,1|2,0,0]=4 538 B9R1.2 COC1=NC=NC(Br)=C1 AK-65035 [0,1,0,0,0,1|2,0,0]=4 539 B9R1.2 CSC1=CC(Br)=NC=N1 AK143712 [0,1,0,0,0,1|2,0,0]=4 540 B9R1.2 CSC1=CC=CC(Br)=N1 AK159822 [0,1,0,0,0,1|2,0,0]=4 541 B9R1.2 CSC1=NC(Cl)=NC=C1 AK-29307 [0,1,0,0,0,1|2,0,0]=4 542 B9R1.2 CSC1=NC=CC(Br)=N1 AK-28067 [0,1,0,0,0,1|2,0,0]=4 543 B9R1.2 CSC1=NC=CC(Cl)=N1 AK-29306 [0,1,0,0,0,1|2,0,0]=4 544 B9R1.2 CSC1=NC=CC(N1)=O AK-26630 [0,1,0,0,0,1|2,0,0]=4 545 B9R1.2 ClC1=CC(=NC=C1)CN AK-28137 [0,1,0,0,0,1|2,0,0]=4 546 B9R1.2 ClC1=CC(=NC=C1)CO AK-27991 [0,1,0,0,0,1|2,0,0]=4 547 B9R1.2 ClC1=CC(=NC=C1)OC AK-26290 [0,1,0,0,0,1|2,0,0]=4 548 B9R1.2 ClC1=CC(=NC=C1)SC AK-25786 [0,1,0,0,0,1|2,0,0]=4 549 B9R1.2 ClC1=CC(CO)=CC=C1 AK-51231 [0,1,0,0,0,1|2,0,0]=4 550 B9R1.2 ClC1=CC=CC(=N1)CO AK-28428 [0,1,0,0,0,1|2,0,0]=4 551 B9R1.2 ClC1=CN=CC(=C1)CO AK-23534 [0,1,0,0,0,1|2,0,0]=4 552 B9R1.2 ClC1=CN=CC(=N1)NC AK-41779 [0,1,0,0,0,1|2,0,0]=4 553 B9R1.2 ClC1=NC(=CN=C1)OC AK-29172 [0,1,0,0,0,1|2,0,0]=4 554 B9R1.2 ClC1=NC(=NC=C1)NC AK-31812 [0,1,0,0,0,1|2,0,0]=4 555 B9R1.2 ClC1=NC(=NC=C1)OC AK-37477 [0,1,0,0,0,1|2,0,0]=4 556 B9R1.2 ClC1=NC=CC(CBr)=C1 AK-50155 [0,1,0,0,0,1|2,0,0]=4 557 B9R1.2 ClC1=NC=CC(CBr)=C1 AK163959 [0,1,0,0,0,1|2,0,0]=4 558 B9R1.2 ClC1=NC=NC(=C1)SC AK-25177 [0,1,0,0,0,1|2,0,0]=4 559 B9R1.2 ClCC1=CC(=CN=C1)C AK-33495 [0,1,0,0,0,1|2,0,0]=4 560 B9R1.2 ClCC1=CC(I)=CC=C1 AK-94390 [0,1,0,0,0,1|2,0,0]=4 561 B9R1.2 ClCC1=CC=CC(Br)=N1 AK151971 [0,1,0,0,0,1|2,0,0]=4 562 B9R1.2 ClCC1=CN=CC(Br)=C1 AK-88388 [0,1,0,0,0,1|2,0,0]=4 563 B9R1.2 ClCC1=NC=CC(Cl)=C1 AK-46990 [0,1,0,0,0,1|2,0,0]=4 564 B9R1.2 FC1=CC(CO)=CC=C1 AK-51232 [0,1,0,0,0,1|2,0,0]=4 565 B9R1.2 FC1=CC=CC(CBr)=N1 AK-77216 [0,1,0,0,0,1|2,0,0]=4 566 B9R1.2 FC1=CC=CC(CCl)=N1 AK137993 [0,1,0,0,0,1|2,0,0]=4 567 B9R1.2 IC1=NC=CC(=N1)OC AK-22058 [0,1,0,0,0,1|2,0,0]=4 568 B9R1.2 IC1=NC=NC(=C1)OC AK-37493 [0,1,0,0,0,1|2,0,0]=4 569 B9R1.2 NC1=CC(=CN=C1)OC AK-27775 [0,1,0,0,0,1|2,0,0]=4 570 B9R1.2 NC1=CC(NC)=NC=C1 AK118733 [0,1,0,0,0,1|2,0,0]=4 571 B9R1.2 NC1=CC=CC(CN)=C1 AK-76655 [0,1,0,0,0,1|2,0,0]=4 572 B9R1.2 NC1=CC=CC(CO)=N1 AK-85732 [0,1,0,0,0,1|2,0,0]=4 573 B9R1.2 NC1=CC=CC(OC)=C1 AK309398 [0,1,0,0,0,1|2,0,0]=4 574 B9R1.2 NC1=CC=CC(SC)=C1 AK162933 [0,1,0,0,0,1|2,0,0]=4 575 B9R1.2 NC1=NC(=CC=C1)OC AK-27734 [0,1,0,0,0,1|2,0,0]=4 576 B9R1.2 NC1=NC(=CN=C1)OC AK-24224 [0,1,0,0,0,1|2,0,0]=4 577 B9R1.2 NC1=NC(CC)=CC=C1 AK-28992 [0,1,0,0,0,1|1,0,0]=3 578 B9R1.2 NC1=NC(OC)=NC=C1 AK-23728 [0,1,0,0,0,1|2,0,0]=4 579 B9R1.2 NC1=NC=CC(=C1)CN AK-28487 [0,1,0,0,0,1|2,0,0]=4 580 B9R1.2 NC1=NC=CC(=C1)OC AK-25255 [0,1,0,0,0,1|2,0,0]=4 581 B9R1.2 NCC1=CC(Br)=NC=C1 AK111031 [0,1,0,0,0,1|2,0,0]=4 582 B9R1.2 NCC1=CC(C)=NC=C1 AK130210 [0,1,0,0,0,1|2,0,0]=4 583 B9R1.2 NCC1=CC(Cl)=NC=C1 AK-90264 [0,1,0,0,0,1|2,0,0]=4 584 B9R1.2 NCC1=CC(F)=CC=C1 AK-80195 [0,1,0,0,0,1|2,0,0]=4 585 B9R1.2 NCC1=CC(F)=NC=C1 AK186950 [0,1,0,0,0,1|2,0,0]=4 586 B9R1.2 NCC1=CC=CC(Br)=C1 AK-49144 [0,1,0,0,0,1|2,0,0]=4 587 B9R1.2 NCC1=CC=CC(C)=C1 AK-98167 [0,1,0,0,0,1|2,0,0]=4 588 B9R1.2 NCC1=CC=CC(Cl)=C1 AK-89641 [0,1,0,0,0,1|2,0,0]=4 589 B9R1.2 NCC1=CC=CC(I)=C1 AK-46127 [0,1,0,0,0,1|2,0,0]=4 590 B9R1.2 NCC1=NC(Br)=CC=C1 AK-39249 [0,1,0,0,0,1|2,0,0]=4 591 B9R1.2 NCC1=NC(Br)=CC=C1 AK-79055 [0,1,0,0,0,1|2,0,0]=4 592 B9R1.2 NCC1=NC(Cl)=CC=C1 AK105012 [0,1,0,0,0,1|2,0,0]=4 593 B9R1.2 NCC1=NC(Cl)=CN=C1 AK130178 [0,1,0,0,0,1|2,0,0]=4 594 B9R1.2 NCC1=NC(F)=CC=C1 AK112462 [0,1,0,0,0,1|2,0,0]=4 595 B9R1.2 NCC1=NC=CC(Br)=C1 AK-76280 [0,1,0,0,0,1|2,0,0]=4 596 B9R1.2 NCC1=NC=CC(Cl)=C1 AK164315 [0,1,0,0,0,1|2,0,0]=4 597 B9R1.2 NCC1=NC=CC(F)=C1 AK133025 [0,1,0,0,0,1|2,0,0]=4 598 B9R1.2 O=C1C=C(CC)C=NN1 AK132530 [0,1,0,0,0,1|2,0,0]=4 599 B9R1.2 O=C1C=C(OC)C=CN1 AK-35484 [0,1,0,0,0,1|2,0,0]=4 600 B9R1.2 O=C1NC(SC)=NC=C1 AK-43583 [0,1,0,0,0,1|2,0,0]=4 601 B9R1.2 O=C1NC=NC(CC)=C1 AK100022 [0,1,0,0,0,1|1,0,0]=3 602 B9R1.2 OC1=CC(CBr)=CC=C1 AK-99880 [0,1,0,0,0,1|2,0,0]=4 603 B9R1.2 OC1=CC(OC)=NC=C1 AK-68345 [0,1,0,0,0,1|2,0,0]=4 604 B9R1.2 OCC1=CC(=O)NC=C1 AK-72519 [0,1,0,0,0,1|2,0,0]=4 605 B9R1.2 OCC1=CC(C)=CN=C1 AK130310 [0,1,0,0,0,1|2,0,0]=4 606 B9R1.2 OCC1=CC(C)=NC=C1 AK-32751 [0,1,0,0,0,1|2,0,0]=4 607 B9R1.2 OCC1=CC(Cl)=NC=C1 AK-32643 [0,1,0,0,0,1|2,0,0]=4 608 B9R1.2 OCC1=CC(F)=NC=C1 AK-57689 [0,1,0,0,0,1|2,0,0]=4 609 B9R1.2 OCC1=CC(N)=CN=C1 AK135137 [0,1,0,0,0,1|2,0,0]=4 610 B9R1.2 OCC1=CC(N)=NC=C1 AK-25275 [0,1,0,0,0,1|2,0,0]=4 611 B9R1.2 OCC1=CC=CC(Br)=C1 AK110441 [0,1,0,0,0,1|2,0,0]=4 612 B9R1.2 OCC1=CC=CC(Br)=N1 AK-34739 [0,1,0,0,0,1|2,0,0]=4 613 B9R1.2 OCC1=CN=CC(Br)=N1 AK-68017 [0,1,0,0,0,1|2,0,0]=4 614 B9R1.2 OCC1=NC(C)=CC=C1 AK-47726 [0,1,0,0,0,1|2,0,0]=4 615 B9R1.2 OCC1=NC(Cl)=CC=C1 AK-29179 [0,1,0,0,0,1|2,0,0]=4 616 B9R1.2 OCC1=NC(Cl)=CN=C1 AK-98157 [0,1,0,0,0,1|2,0,0]=4 617 B9R1.2 OCC1=NC(N)=NC=C1 AK116314 [0,1,0,0,0,1|2,0,0]=4 618 B9R1.2 OCC1=NC=CC(Br)=C1 AK-25360 [0,1,0,0,0,1|2,0,0]=4 619 B9R1.6 C1=C(C(=O)C)C=CN=C1 AK-65203 [0,1,0,0,0,1|1,0,1]=4 620 B9R1.6 C1=C(C(C)=O)N=CC=C1 AK-53417 [0,1,0,0,0,1|1,0,1]=4 621 B9R1.6 C1=C(N=CC=N1)C(=O)C AK-16901 [0,1,0,0,0,1|1,0,1]=4 622 B9R1.6 C1=NC(=CC=C1)C(C)C AK-46532 [0,1,0,0,0,1|1,0,0]=3 623 B9R1.6 CC(=O)C1=CC=CN=N1 AK-83539 [0,1,0,0,0,1|1,0,1]=4 624 B9R1.6 CC(=O)C1=NC=CC=N1 AK-35526 [0,1,0,0,0,1|1,0,1]=4 625 B9R1.6 CC(C1=NC=NC=C1)=O AK-40767 [0,1,0,0,0,1|1,0,1]=4 626 B9R1.6 CC(N)C1=CC=CN=C1 AK-35649 [0,1,0,0,0,1|1,0,0]=3 627 B9R1.6 CC(N)C1=CN=CC=N1 AK-31016 [0,1,0,0,0,1|1,0,0]=3 628 B9R1.6 CC(N)C1=NC=CC=N1 AK162973 [0,1,0,0,0,1|1,0,0]=3 629 B9R1.6 CC(O)C1=NC=CC=C1 AK-53453 [0,1,0,0,0,1|1,0,0]=3 630 B9R1.6 CN(C)C1=NC=CC=C1 AK-78706 [0,1,0,0,0,1|2,0,0]=4 631 B9R1.6 C[C@@H](N)C1=CC=CC=C1 AK668263 [0,1,0,0,0,1|1,0,0]=3 632 B9R1.6 C[C@@H](N)C1=CC=CN=C1 AK152012 [0,1,0,0,0,1|1,0,0]=3 633 B9R1.6 C[C@@H](N)C1=NC=CC=C1 AK122419 [0,1,0,0,0,1|1,0,0]=3 634 B9R1.6 C[C@@H](O)C1=CC=CC=C1 AK-79205 [0,1,0,0,0,1|1,0,0]=3 635 B9R1.6 C[C@@H](O)C1=CC=NC=C1 AK-45022 [0,1,0,0,0,1|1,0,0]=3 636 B9R1.6 C[C@@H](O)C1=NC=CC=C1 AK-79201 [0,1,0,0,0,1|1,0,0]=3 637 B9R1.6 C[C@H](N)C1=CC=CN=C1 AK151271 [0,1,0,0,0,1|1,0,0]=3 638 B9R1.6 C[C@H](O)C1=CC=NC=C1 AK-79199 [0,1,0,0,0,1|1,0,0]=3 639 B9R1.6 N1=C(C=CC=C1)[C@@H](C)N AK-37082 [0,1,0,0,0,1|1,0,0]=3 640 B9R1.6 N[C@@H](C1=CC=NC=C1)C AK202973 [0,1,0,0,0,1|1,0,0]=3 641 B9R1.6 N[C@H](C1=NC=CC=C1)C AK-37110 [0,1,0,0,0,1|1,0,0]=3 642 B9R1.8 BrCCC1=CC=CC=C1 AK-54085 [0,1,0,0,0,1|1,0,0]=3 643 B9R1.8 C1=C(C=CC=C1)CON AK-49180 [0,1,0,0,0,1|2,0,0]=4 644 B9R1.8 C1=C(CCN)N=CC=C1 AK-73075 [0,1,0,0,0,1|1,0,0]=3 645 B9R1.8 C1=C(CNN)C=CC=C1 AK-72938 [0,1,0,0,0,1|2,0,0]=4 646 B9R1.8 C1=C(N=CC=C1)COC AK-32294 [0,1,0,0,0,1|1,0,0]=3 647 B9R1.8 C1=CC=NN=C1OCC AK-50551 [0,1,0,0,0,1|1,0,0]=3 648 B9R1.8 CCCC1=CC=NC=C1 AK109267 [0,1,0,0,0,1|1,0,0]=3 649 B9R1.8 CCCC1=NC=CN=C1 AK305719 [0,1,0,0,0,1|1,0,0]=3 650 B9R1.8 CCNC1=CC=CN=C1 AK126739 [0,1,0,0,0,1|1,0,0]=3 651 B9R1.8 CCNC1=NC=CN=C1 AK159718 [0,1,0,0,0,1|1,0,0]=3 652 B9R1.8 CCOC1=NC=CC=C1 AK-88755 [0,1,0,0,0,1|1,0,0]=3 653 B9R1.8 CCOC1=NN=CC=C1 AK-50365 [0,1,0,0,0,1|1,0,0]=3 654 B9R1.8 CNCC1=CC=CN=C1 AK-77094 [0,1,0,0,0,1|1,0,0]=3 655 B9R1.8 CNCC1=CC=NC=C1 AK-36140 [0,1,0,0,0,1|1,0,0]=3 656 B9R1.8 CNCC1=NC=CC=C1 AK-82805 [0,1,0,0,0,1|1,0,0]=3 657 B9R1.8 CNCC1=NC=CC=N1 AK-26868 [0,1,0,0,0,1|1,0,0]=3 658 B9R1.8 CNCC1=NC=CN=C1 AK-32984 [0,1,0,0,0,1|1,0,0]=3 659 B9R1.8 CNNC1=CC=CC=C1 AK119038 [0,1,0,0,0,1|2,0,0]=4 660 B9R1.8 N#CCC1=CC=CN=C1 AK-44402 [0,1,0,0,0,1|1,0,1]=4 661 B9R1.8 NCCC1=CC=CN=C1 AK-45879 [0,1,0,0,0,1|1,0,0]=3 662 B9R1.8 NNCC1=CC=CN=C1 AK-50063 [0,1,0,0,0,1|2,0,0]=4 663 B9R1.8 NOCC1=CC=CC=C1 AK-82317 [0,1,0,0,0,1|2,0,0]=4 664 B9R1.8 OCCC1=CN=CN=C1 AK-32465 [0,1,0,0,0,1|2,0,0]=4 665 B9R1.8 OCCC1=NC=CN=C1 AK-45393 [0,1,0,0,0,1|1,0,0]=3 666 B9R1.8 ONCC1=CC=CC=C1 AK-49662 [0,1,0,0,0,1|2,0,0]=4 667 B9R1.8 ONCC1=CC=CC=C1 AK110567 [0,1,0,0,0,1|2,0,0]=4 668 B9R1.15 BrC1=C(C=NC=C1)OC AK-46696 [0,1,0,0,0,1|2,0,0]=4 669 B9R1.15 BrC1=CC=CN=C1OC AK-33153 [0,1,0,0,0,1|2,0,0]=4 670 B9R1.15 BrC1=CN=CN=C1NC AK-31820 [0,1,0,0,0,1|2,0,0]=4 671 B9R1.15 BrCC1=C(I)C=CC=C1 AK-54648 [0,1,0,0,0,1|2,0,0]=4 672 B9R1.15 BrCC1=NC=CC=C1Br AK158877 [0,1,0,0,0,1|2,0,0]=4 673 B9R1.15 C(C)C1=NC=NC=C1F AK-23771 [0,1,0,0,0,1|1,0,0]=3 674 B9R1.15 C1=C(C(=CC=C1)Br)CC AK-46714 [0,1,0,0,0,1|1,0,0]=3 675 B9R1.15 C1=C(C(=CC=C1)Br)CN AK-73129 [0,1,0,0,0,1|2,0,0]=4 676 B9R1.15 C1=C(C(=CC=C1)Cl)CO AK-46748 [0,1,0,0,0,1|2,0,0]=4 677 B9R1.15 C1=C(I)C(=NC=C1)OC AK-25295 [0,1,0,0,0,1|2,0,0]=4 678 B9R1.15 C1=CC=CC(=C1CO)Br AK-51234 [0,1,0,0,0,1|2,0,0]=4 679 B9R1.15 C1=CC=CC(=C1O)CO AK-47595 [0,1,0,0,0,1|2,0,0]=4 680 B9R1.15 C1=CC=CC(=C1OC)F AK-46555 [0,1,0,0,0,1|2,0,0]=4 681 B9R1.15 C1=NC(=C(C=C1)CO)N AK-23581 [0,1,0,0,0,1|2,0,0]=4 682 B9R1.15 CC1=C(CBr)C=NC=C1 AK137963 [0,1,0,0,0,1|2,0,0]=4 683 B9R1.15 CC1=C(CCl)C=NC=C1 AK143692 [0,1,0,0,0,1|2,0,0]=4 684 B9R1.15 CC1=CC=CC=C1CC AK-49977 [0,1,0,0,0,1|1,0,0]=3 685 B9R1.15 CC1=CC=CN=C1CCl AK-77025 [0,1,0,0,0,1|2,0,0]=4 686 B9R1.15 CC1=CC=CN=C1OC AK126197 [0,1,0,0,0,1|2,0,0]=4 687 B9R1.15 CC1=NC=CN=C1CC AK114356 [0,1,0,0,0,1|1,0,0]=3 688 B9R1.15 CCC1=C(Br)C=CN=C1 AK328293 [0,1,0,0,0,1|1,0,0]=3 689 B9R1.15 CCC1=C(Br)C=NC=C1 AK-81618 [0,1,0,0,0,1|1,0,0]=3 690 B9R1.15 CCC1=C(Cl)N=CC=N1 AK-54851 [0,1,0,0,0,1|1,0,0]=3 691 B9R1.15 CCC1=CN=CN=C1Cl AK-25151 [0,1,0,0,0,1|2,0,0]=4 692 B9R1.15 CCC1=NC=CC=C1Br AK128590 [0,1,0,0,0,1|1,0,0]=3 693 B9R1.15 CCC1=NC=NC=C1Br AK105597 [0,1,0,0,0,1|1,0,0]=3 694 B9R1.15 CNC1=CC=CC=C1Cl AK163346 [0,1,0,0,0,1|2,0,0]=4 695 B9R1.15 CNC1=CC=CC=C1F AK-48931 [0,1,0,0,0,1|2,0,0]=4 696 B9R1.15 CNC1=CC=CN=C1Cl AK115045 [0,1,0,0,0,1|2,0,0]=4 697 B9R1.15 CNC1=NC=CC=C1Cl AK140218 [0,1,0,0,0,1|2,0,0]=4 698 B9R1.15 CNC1=NC=CN=C1N AK-23939 [0,1,0,0,0,1|2,0,0]=4 699 B9R1.15 COC1=C(Br)C=NC=C1 AK-36460 [0,1,0,0,0,1|2,0,0]=4 700 B9R1.15 COC1=C(Br)N=CC=N1 AK-37282 [0,1,0,0,0,1|2,0,0]=4 701 B9R1.15 COC1=C(C)N=CC=N1 AK-29085 [0,1,0,0,0,1|2,0,0]=4 702 B9R1.15 COC1=C(I)C=NC=C1 AK-26421 [0,1,0,0,0,1|2,0,0]=4 703 B9R1.15 COC1=CC=CC=C1Br AK-76806 [0,1,0,0,0,1|2,0,0]=4 704 B9R1.15 COC1=CC=CN=C1Br AK-29048 [0,1,0,0,0,1|2,0,0]=4 705 B9R1.15 COC1=CC=CN=C1F AK-63160 [0,1,0,0,0,1|2,0,0]=4 706 B9R1.15 COC1=NC=CC=C1Cl AK-33154 [0,1,0,0,0,1|2,0,0]=4 707 B9R1.15 COC1=NC=CC=C1F AK-33314 [0,1,0,0,0,1|2,0,0]=4 708 B9R1.15 COC1=NC=CN=C1I AK-94547 [0,1,0,0,0,1|2,0,0]=4 709 B9R1.15 COC1=NC=NC=C1Br AK133377 [0,1,0,0,0,1|2,0,0]=4 710 B9R1.15 COC1=NC=NC=C1Cl AK147276 [0,1,0,0,0,1|2,0,0]=4 711 B9R1.15 COC1=NC=NC=C1I AK-37534 [0,1,0,0,0,1|2,0,0]=4 712 B9R1.15 CSC1=NC=CN=C1C AK-53396 [0,1,0,0,0,1|2,0,0]=4 713 B9R1.15 ClC1=CC=CN=C1CBr AK138503 [0,1,0,0,0,1|2,0,0]=4 714 B9R1.15 ClC1=NC=CN=C1CCl AK-37298 [0,1,0,0,0,1|2,0,0]=4 715 B9R1.15 ClC1=NC=CN=C1OC AK-25926 [0,1,0,0,0,1|2,0,0]=4 716 B9R1.15 ClCC1=NC=CC=C1Cl AK109982 [0,1,0,0,0,1|2,0,0]=4 717 B9R1.15 ClCC1=NC=CC=C1Cl AK138192 [0,1,0,0,0,1|2,0,0]=4 718 B9R1.15 FC1=C(C=CN=C1)CN AK-49033 [0,1,0,0,0,1|2,0,0]=4 719 B9R1.15 FC1=CC=CN=C1CBr AK128379 [0,1,0,0,0,1|2,0,0]=4 720 B9R1.15 FC1=CC=CN=C1CCl AK109609 [0,1,0,0,0,1|2,0,0]=4 721 B9R1.15 FC1=CC=CN=C1CO AK-29127 [0,1,0,0,0,1|2,0,0]=4 722 B9R1.15 FC1=NC=CC=C1CN AK-30140 [0,1,0,0,0,1|2,0,0]=4 723 B9R1.15 NC1=C(C=CN=C1)OC AK-27262 [0,1,0,0,0,1|2,0,0]=4 724 B9R1.15 NC1=C(OC)C=NC=C1 AK-46304 [0,1,0,0,0,1|2,0,0]=4 725 B9R1.15 NC1=CC=CC=C1NC AK-35283 [0,1,0,0,0,1|2,0,0]=4 726 B9R1.15 NC1=CC=CN=C1OC AK-28363 [0,1,0,0,0,1|2,0,0]=4 727 B9R1.15 NC1=NC=CC=C1OC AK-25256 [0,1,0,0,0,1|2,0,0]=4 728 B9R1.15 NC1=NC=CN=C1CC AK-30572 [0,1,0,0,0,1|1,0,0]=3 729 B9R1.15 NC1=NC=CN=C1OC AK-23933 [0,1,0,0,0,1|2,0,0]=4 730 B9R1.15 NCC1=CC=CC=C1C AK-89642 [0,1,0,0,0,1|2,0,0]=4 731 B9R1.15 NCC1=CC=CC=C1Cl AK-78184 [0,1,0,0,0,1|2,0,0]=4 732 B9R1.15 NCC1=CC=CC=C1F AK-88519 [0,1,0,0,0,1|2,0,0]=4 733 B9R1.15 NCC1=CC=CC=C1I AK-94126 [0,1,0,0,0,1|2,0,0]=4 734 B9R1.15 NCC1=NC=CC=C1C AK122548 [0,1,0,0,0,1|2,0,0]=4 735 B9R1.15 NCC1=NC=CC=C1Cl AK-41569 [0,1,0,0,0,1|2,0,0]=4 736 B9R1.15 NCC1=NC=CN=C1Cl AK-42166 [0,1,0,0,0,1|2,0,0]=4 737 B9R1.15 NCC1=NC=CN=C1Cl AK-64298 [0,1,0,0,0,1|2,0,0]=4 738 B9R1.15 O=C1C(CC)=CC=NN1 AK132188 [0,1,0,0,0,1|2,0,0]=4 739 B9R1.15 O=C1C(CC)=NC=CN1 AK198883 [0,1,0,0,0,1|1,0,0]=3 740 B9R1.15 O=C1C(CN)=CC=CN1 AK-76048 [0,1,0,0,0,1|2,0,0]=4 741 B9R1.15 OC1=CC=CC=C1CN AK-49022 [0,1,0,0,0,1|2,0,0]=4 742 B9R1.15 OC1=CC=CC=C1CN AK167666 [0,1,0,0,0,1|2,0,0]=4 743 B9R1.15 OC1=CC=CC=C1OC AK114448 [0,1,0,0,0,1|2,0,0]=4 744 B9R1.15 OC1=CC=CN=C1CN AK-82086 [0,1,0,0,0,1|2,0,0]=4 745 B9R1.15 OC1=CC=CN=C1OC AK261041 [0,1,0,0,0,1|2,0,0]=4 746 B9R1.15 OCC1=C(Br)C=CN=C1 AK-86110 [0,1,0,0,0,1|2,0,0]=4 747 B9R1.15 OCC1=C(Br)C=NC=C1 AK-38288 [0,1,0,0,0,1|2,0,0]=4 748 B9R1.15 OCC1=C(Cl)C=CN=C1 AK124400 [0,1,0,0,0,1|2,0,0]=4 749 B9R1.15 OCC1=C(Cl)N=CC=N1 AK-39229 [0,1,0,0,0,1|2,0,0]=4 750 B9R1.15 OCC1=C(F)C=NC=C1 AK-90171 [0,1,0,0,0,1|2,0,0]=4 751 B9R1.15 OCC1=C(N)C=CN=C1 AK-58822 [0,1,0,0,0,1|2,0,0]=4 752 B9R1.15 OCC1=C(N)C=NC=C1 AK-74165 [0,1,0,0,0,1|2,0,0]=4 753 B9R1.15 OCC1=CC=CC=C1I AK-77177 [0,1,0,0,0,1|2,0,0]=4 754 B9R1.15 OCC1=CC=CC=C1N AK-49868 [0,1,0,0,0,1|2,0,0]=4 755 B9R1.15 OCC1=CC=CN=C1Cl AK-23619 [0,1,0,0,0,1|2,0,0]=4 756 B9R1.15 OCC1=CC=CN=C1F AK-33110 [0,1,0,0,0,1|2,0,0]=4 757 B9R1.15 OCC1=NC=CC=C1Cl AK133056 [0,1,0,0,0,1|2,0,0]=4 758 B9R1.7 CC1=CC=C(CCO)O1 AK684573 [0,2,0,0,0,0|0,0,0]=2 759 B9R1.7 CCCC1=CC=C(Br)S1 AK-89997 [0,2,0,0,0,0|0,1,0]=3 760 B9R1.7 IC1=CN(CCO)N=C1 AK145306 [0,2,0,0,0,0|2,0,0]=4 761 B9R1.7 NC1=CC(CCC)=NO1 AK146146 [0,2,0,0,0,0|2,0,0]=4 762 B9R1.7 NC1=CN(CCO)N=C1 AK-40971 [0,2,0,0,0,0|2,0,0]=4 763 B9R1.7 NC1=NN(CCO)C=C1 AK-93992 [0,2,0,0,0,0|2,0,0]=4 764 B9R1.7 NC1=NNC(CCC)=C1 AK-83429 [0,2,0,0,0,0|2,0,0]=4 765 B9R1.21 BrCC1=CC=C(S1)C#N AK-58208 [0,2,0,0,0,0|1,1,0]=4 766 B9R1.21 C1=C(OC(=C1)C=O)CO AK-26249 [0,2,0,0,0,0|1,0,0]=3 767 B9R1.21 CCC1=CSC(C=O)=N1 AK-28976 [0,2,0,0,0,0|2,0,0]=4 768 B9R1.21 COC1=CC=C(OC)S1 AK160909 [0,2,0,0,0,0|1,1,0]=4 769 B9R1.21 O=CC1=CC=C(C=O)O1 AK-72875 [0,2,0,0,0,0|1,0,1]=4 770 B9R1.21 O=CC1=CC=C(SC)S1 AK114412 [0,2,0,0,0,0|1,1,0]=4 771 B9R1.21 O=CC1=CN(CC)N=C1 AK-45316 [0,2,0,0,0,0|2,0,0]=4 772 B9R1.21 OCC1=CC=C(CO)O1 AK-68226 [0,2,0,0,0,0|1,0,0]=3 773 B9R1.22 CC1=C(CO)OC(=O)O1 AK-54539 [0,2,0,0,0,0|2,0,0]=4 774 B9R1.22 O=C1OC(C)=C(CCl)O1 AK-26343 [0,2,0,0,0,0|2,0,0]=4 775 B9R1.23 NC1=CN(CC)N=C1C AK488098 [0,2,0,0,0,0|2,0,0]=4 776 B9R1.35 C1=C(OC(=C1)Br)C(O)=O AK-35759 [0,2,0,0,0,0|1,0,1]=4 777 B9R1.35 C1=C(OC(=C1)C)C(O)=O AK-44799 [0,2,0,0,0,0|1,0,1]=4 778 B9R1.35 C1=C(SC(=C1)C)C(=O)C AK-33183 [0,2,0,0,0,0|0,1,1]=4 779 B9R1.35 C1=C(SC(=C1)Cl)C(C)=O AK-47623 [0,2,0,0,0,0|0,1,1]=4 780 B9R1.35 CC(=O)C1=CC=C(C)O1 AK-77189 [0,2,0,0,0,0|0,0,1]=3 781 B9R1.35 CC(=O)C1=NC(C)=CO1 AK-80747 [0,2,0,0,0,0|1,0,1]=4 782 B9R1.35 CC(C1=CC(Cl)=CS1)=O AK-77338 [0,2,0,0,0,0|0,1,1]=4 783 B9R1.35 CC(N1N=CC(N)=C1)C AK-46297 [0,2,0,0,0,0|2,0,0]=4 784 B9R1.35 CC1=CSC(C(C)C)=N1 AK114355 [0,2,0,0,0,0|1,1,0]=4 785 B9R1.35 NC1=CC(C(C)C)=NO1 AK108354 [0,2,0,0,0,0|2,0,0]=4 786 B9R1.35 NC1=NC=C(C(C)C)S1 AK135067 [0,2,0,0,0,0|1,1,0]=4 787 B9R1.35 O=C(C1=CC(Br)=CO1)N AK120768 [0,2,0,0,0,0|1,0,1]=4 788 B9R1.35 O=C(C1=CC=C(Cl)O1)O AK-94156 [0,2,0,0,0,0|1,0,1]=4 789 B9R1.35 O=C(O)C1=CC(Br)=CO1 AK-41331 [0,2,0,0,0,0|1,0,1]=4 790 B9R1.11 BrCC(=O)C1=CC=CS1 AK-53454 [0,2,0,0,0,0|0,1,1]=4 791 B9R1.11 CCC(C1=NC=CS1)=O AK113134 [0,2,0,0,0,0|1,1,0]=4 792 B9R1.11 COC(=O)C1=NC=CO1 AK109950 [0,2,0,0,0,0|1,0,1]=4 793 B9R1.11 NC(C1=CC=CS1)CO AK684513 [0,2,0,0,0,0|0,1,0]=3 794 B9R1.11 O=C(C1=CC=CN1)OC AK-27729 [0,2,0,0,0,0|1,0,1]=4 795 B9R1.11 O=C(C1=CC=CS1)OC AK-48323 [0,2,0,0,0,0|0,1,1]=4 796 B9R1.41 CC(C1=CC=CN1C)=O AK148515 [0,2,0,0,0,0|1,0,1]=4 797 B9R1.41 CC1=C(OC=C1)C(O)=O AK-89342 [0,2,0,0,0,0|1,0,1]=4 798 B9R1.41 OC(=O)C1=C(Br)C=CO1 AK110945 [0,2,0,0,0,0|1,0,1]=4 799 B9R1.12 CCCCC1=CC=CS1 AK142166 [0,2,0,0,0,0|0,1,0]=3 800 B9R1.12 CCOCC1=CC=CO1 AK119688 [0,2,0,0,0,0|0,0,0]=2 801 B9R1.12 N#CCCN1C=CC=C1 AK111457 [0,2,0,0,0,0|2,0,0]=4 802 B9R1.12 O=C\C=C\C1=CC=CO1 AK-88542 [0,2,0,0,0,0|0,0,2]=4 803 B9R1.13 CC(C)CC1=NC=CS1 AK114248 [0,2,0,0,0,0|1,1,0]=4 804 B9R1.13 CN(C)C=C1C=CC=C1 AK-79365 [0,2,0,0,0,0|1,0,1]=4 805 B9R1.13 O=C(Cl)CC1=CC=CS1 AK-76957 [0,2,0,0,0,0|0,1,1]=4 806 B9R1.13 O=C(O)CC1=CC=CO1 AK126664 [0,2,0,0,0,0|0,0,1]=3 807 B9R1.33 C1=C([N](N=C1)CCO)N AK-29485 [0,2,0,0,0,0|2,0,0]=4 808 B9R1.33 C1=NC(=C(S1)CCO)C AK-30249 [0,2,0,0,0,0|1,1,0]=4 809 B9R1.33 CCOC1=C(C)N=CO1 AK-51318 [0,2,0,0,0,0|1,0,0]=3 810 B9R1.14 O=CC1=C(OC)C=CO1 AK320838 [0,2,0,0,0,0|1,0,1]=4 811 B7R1.3 OC1=CC=CN=C1 AK-44238 [0,0,1,1,0,0|1,0,1]=4 812 B9R2.50 C1CC2=CC=CC=C12 AK109544 [0,0,0,1,0,1|1,0,0]=3 813 B9R2.2 C1(C2CC2)=NC=CN1 AK165338 [0,1,0,1,0,0|2,0,0]=4 814 B9R2.2 C1(C2CC2)=NNC=C1 AK-40938 [0,1,0,1,0,0|2,0,0]=4 815 B9R2.2 C1CC1N2C=CC=N2 AK100282 [0,1,0,1,0,0|2,0,0]=4 816 B9R2.3 C1CN2N=CC=C2C1 AK-40480 [0,1,0,1,0,0|2,0,0]=4 817 B9R2.3 C=12CNCC1C=NN2 AK-31553 [0,1,0,1,0,0|2,0,0]=4