0 B6R1.2 BrC1=CSN=C1 AK-29054 [0,0,0,0,0,0|2,0,0]=2 1 B6R1.2 BrC1=NC=NS1 AK-43226 [0,0,0,0,0,0|4,0,0]=4 2 B6R1.2 BrC1=NN=CS1 AK-28207 [0,0,0,0,0,0|4,0,0]=4 3 B6R1.2 BrC1=NOC=C1 AK-32851 [0,0,0,0,0,0|4,0,0]=4 4 B6R1.2 BrC1=N[NH]C=C1 AK-23694 [0,0,0,0,0,0|3,0,0]=3 5 B6R1.2 C1=C(Br)SC=N1 AK-22153 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 C1=C(Cl)[NH]C=N1 AK-39375 [0,0,0,0,0,0|3,0,0]=3 7 B6R1.2 C1=C(N=CS1)C AK-27071 [0,0,0,0,0,0|3,0,0]=3 8 B6R1.2 C1=C([NH]C=N1)Br AK-29028 [0,0,0,0,0,0|3,0,0]=3 9 B6R1.2 C1=C([NH]N=C1)C AK-47298 [0,0,0,0,0,0|2,0,0]=2 10 B6R1.2 C1=CSC(=N1)C AK-25844 [0,0,0,0,0,0|4,0,0]=4 11 B6R1.2 C1=CSC=C1I AK-73044 [0,0,0,0,0,0|3,0,0]=3 12 B6R1.2 C1=NC(=CS1)Br AK-23755 [0,0,0,0,0,0|4,0,0]=4 13 B6R1.2 C1=NC=C(I)[NH]1 AH-10005 [0,0,0,0,0,0|3,0,0]=3 14 B6R1.2 C1=NN=C[N]1N AK-47280 [0,0,0,0,0,0|2,0,1]=3 15 B6R1.2 C1=N[NH]C(=C1)N AK-23634 [0,0,0,0,0,0|3,0,0]=3 16 B6R1.2 C1=N[NH]C(=N1)Br AK-40012 [0,0,0,0,0,0|4,0,0]=4 17 B6R1.2 C1=N[NH]C=C1Br AK-23744 [0,0,0,0,0,0|1,0,0]=1 18 B6R1.2 C1=N[NH]C=C1C AK-46480 [0,0,0,0,0,0|0,0,0]=0 19 B6R1.2 C1=N[NH]C=C1Cl AK-28843 [0,0,0,0,0,0|1,0,0]=1 20 B6R1.2 C1=N[NH]C=C1I AK-39171 [0,0,0,0,0,0|1,0,0]=1 21 B6R1.2 C1=N[NH]C=C1N AK-23740 [0,0,0,0,0,0|1,0,0]=1 22 B6R1.2 C1=N[N](C=N1)C AK-51663 [0,0,0,0,0,0|3,0,0]=3 23 B6R1.2 CC1=CN=CS1 AK-40769 [0,0,0,0,0,0|2,0,0]=2 24 B6R1.2 CC1=CNC=C1 AK-59534 [0,0,0,0,0,0|1,0,0]=1 25 B6R1.2 CC1=CNN=N1 AK-38543 [0,0,0,0,0,0|1,0,0]=1 26 B6R1.2 CC1=NC=CN1 AK-76902 [0,0,0,0,0,0|4,0,0]=4 27 B6R1.2 CC1=NN=CO1 AK-50870 [0,0,0,0,0,0|3,0,0]=3 28 B6R1.2 CC1=NNC=N1 AK-46139 [0,0,0,0,0,0|3,0,0]=3 29 B6R1.2 CC1=NON=C1 AK-49621 [0,0,0,0,0,0|2,0,0]=2 30 B6R1.2 CC1CNCC1 AK-46149 [0,0,0,0,0,0|1,0,3]=4 31 B6R1.2 CN1C=CN=N1 AK-60587 [0,0,0,0,0,0|3,0,0]=3 32 B6R1.2 CN1C=NN=C1 AK321144 [0,0,0,0,0,0|1,0,1]=2 33 B6R1.2 C[C@@H]1CNCC1 AK-45142 [0,0,0,0,0,0|1,0,3]=4 34 B6R1.2 ClC1=CC=NN1 AK132931 [0,0,0,0,0,0|3,0,0]=3 35 B6R1.2 ClC1=CSC=N1 AK-23769 [0,0,0,0,0,0|4,0,0]=4 36 B6R1.2 ClC1=NC=NS1 AK-25892 [0,0,0,0,0,0|4,0,0]=4 37 B6R1.2 ClC1=NNC=C1 AK-64806 [0,0,0,0,0,0|3,0,0]=3 38 B6R1.2 ClC1=NNC=N1 AK-36097 [0,0,0,0,0,0|4,0,0]=4 39 B6R1.2 IC1=CC=CS1 AK-77599 [0,0,0,0,0,0|4,0,0]=4 40 B6R1.2 IC1=CON=C1 AK-24636 [0,0,0,0,0,0|2,0,0]=2 41 B6R1.2 IC1=NN=CS1 AK109229 [0,0,0,0,0,0|4,0,0]=4 42 B6R1.2 IC1=NNC=C1 AK-31094 [0,0,0,0,0,0|3,0,0]=3 43 B6R1.2 N1=CC=C([NH]1)N AK-36860 [0,0,0,0,0,0|3,0,0]=3 44 B6R1.2 NC1=CC=NO1 AK-46390 [0,0,0,0,0,0|3,0,0]=3 45 B6R1.2 NC1=CN=CN1 AK110462 [0,0,0,0,0,0|3,0,0]=3 46 B6R1.2 NC1=CN=NS1 AK-68792 [0,0,0,0,0,0|2,0,1]=3 47 B6R1.2 NC1=CNN=C1 AK-24373 [0,0,0,0,0,0|1,0,0]=1 48 B6R1.2 NC1=CON=C1 AK-24626 [0,0,0,0,0,0|2,0,0]=2 49 B6R1.2 NC1=CON=C1 AK-24638 [0,0,0,0,0,0|2,0,0]=2 50 B6R1.2 NC1=CSC=N1 AK142332 [0,0,0,0,0,0|4,0,0]=4 51 B6R1.2 NC1=NC=NS1 AK136080 [0,0,0,0,0,0|4,0,0]=4 52 B6R1.2 NC1=NN=CS1 AK-31974 [0,0,0,0,0,0|4,0,0]=4 53 B6R1.2 NC1=NOC=C1 AK-25502 [0,0,0,0,0,0|4,0,0]=4 54 B6R1.2 NN1C=CC=C1 AK-88561 [0,0,0,0,0,0|4,0,0]=4 55 B6R1.2 NN1C=CN=C1 AK187814 [0,0,0,0,0,0|3,0,0]=3 56 B6R1.2 O=C1CC=NN1 AK-90809 [0,0,0,0,0,0|3,0,1]=4 57 B6R1.2 O=C1CCNC1 AK-46584 [0,0,0,0,0,0|2,0,2]=4 58 B6R1.2 O=C1NNC=C1 AK-58738 [0,0,0,0,0,0|3,0,0]=3 59 B6R1.2 O=C1NNCC1 AK-46169 [0,0,0,0,0,0|3,0,1]=4 60 B6R1.2 O=C1NSC=C1 AK101140 [0,0,0,0,0,0|4,0,0]=4 61 B6R1.2 O=C1OCC=C1 AK163254 [0,0,0,0,0,0|4,0,0]=4 62 B6R1.2 OC1=NNC=C1 AK-96005 [0,0,0,0,0,0|3,0,0]=3 63 B6R1.2 S1C(=CN=C1)N AK-28900 [0,0,0,0,0,0|3,0,0]=3 64 B6R1.2 S1C(=NC=N1)N AK-54916 [0,0,0,0,0,0|4,0,0]=4 65 B6R1.2 SC1=NNC=N1 AK308496 [0,0,0,0,0,0|4,0,0]=4 66 B5R1.1 N1C=CN=C1 AK-68419 [1,0,0,0,0,0|2,0,0]=3 67 B5R1.1 N1CC=CC1 AK-35945 [1,0,0,0,0,0|1,0,1]=3 68 B5R1.1 N1N=CC=C1 AK-80047 [1,0,0,0,0,0|0,0,0]=1 69 B5R1.1 N1N=CN=C1 AK111541 [1,0,0,0,0,0|1,0,0]=2 70 B5R1.1 N1N=NC=C1 AK-82525 [1,0,0,0,0,0|1,0,0]=2 71 B5R1.1 [N-]1N=CN=C1 AK161856 [1,0,0,0,0,0|1,0,1]=3 72 B7R1.1 BrCC1=CSC=N1 AK158849 [0,1,0,0,0,0|3,0,0]=4 73 B7R1.1 C1=C(C#N)C=CS1 AK-50641 [0,1,0,0,0,0|2,0,1]=4 74 B7R1.1 C1=C(SC=N1)CO AK-23792 [0,1,0,0,0,0|2,0,0]=3 75 B7R1.1 C1=C([NH]C=N1)C=O AK-41612 [0,1,0,0,0,0|2,0,1]=4 76 B7R1.1 C1=NC(=CS1)CO AK-23714 [0,1,0,0,0,0|3,0,0]=4 77 B7R1.1 C1=N[NH]C=C1CO AK-29936 [0,1,0,0,0,0|0,0,0]=1 78 B7R1.1 CCC1=CC=CS1 AK-76635 [0,1,0,0,0,0|3,0,0]=4 79 B7R1.1 CCC1=NN=CO1 AK-50871 [0,1,0,0,0,0|3,0,0]=4 80 B7R1.1 CCC1=NNC=N1 AK124531 [0,1,0,0,0,0|3,0,0]=4 81 B7R1.1 CCN1C=CN=C1 AK-47598 [0,1,0,0,0,0|2,0,0]=3 82 B7R1.1 COC1=CC=CS1 AK-60885 [0,1,0,0,0,0|3,0,0]=4 83 B7R1.1 COC1=CNN=C1 AK200730 [0,1,0,0,0,0|0,0,0]=1 84 B7R1.1 COC1=CSC=C1 AK-60944 [0,1,0,0,0,0|2,0,0]=3 85 B7R1.1 ClCC1=CN=CO1 AK143331 [0,1,0,0,0,0|2,0,0]=3 86 B7R1.1 ClCC1=CN=CS1 AK-94779 [0,1,0,0,0,0|2,0,0]=3 87 B7R1.1 ClCC1=NN=NN1 AK-35630 [0,1,0,0,0,0|2,0,1]=4 88 B7R1.1 N#CC1=CNC=C1 AK-46080 [0,1,0,0,0,0|1,0,1]=3 89 B7R1.1 N#CC1=CNC=N1 AK-35688 [0,1,0,0,0,0|2,0,1]=4 90 B7R1.1 N#CC1=CNN=C1 AK-23770 [0,1,0,0,0,0|0,0,1]=2 91 B7R1.1 N#CC1=CSN=C1 AK163753 [0,1,0,0,0,0|1,0,1]=3 92 B7R1.1 NCC1=CC=CN1 AK-39872 [0,1,0,0,0,0|3,0,0]=4 93 B7R1.1 NCC1=CC=CS1 AK-46394 [0,1,0,0,0,0|3,0,0]=4 94 B7R1.1 NCC1=CN=CO1 AK-25086 [0,1,0,0,0,0|2,0,0]=3 95 B7R1.1 NCC1=CN=CS1 AK-24530 [0,1,0,0,0,0|2,0,0]=3 96 B7R1.1 NCC1=CNC=C1 AK-67638 [0,1,0,0,0,0|1,0,0]=2 97 B7R1.1 NCC1=CNC=N1 AK-33143 [0,1,0,0,0,0|2,0,0]=3 98 B7R1.1 NCC1=CSC=C1 AK-28306 [0,1,0,0,0,0|2,0,0]=3 99 B7R1.1 NCC1=CSC=C1 AK-48092 [0,1,0,0,0,0|2,0,0]=3 100 B7R1.1 NCC1=NNC=C1 AK-25875 [0,1,0,0,0,0|2,0,0]=3 101 B7R1.1 NCC1=NNC=N1 AK199214 [0,1,0,0,0,0|3,0,0]=4 102 B7R1.1 O=CC1=CN=CS1 AK-39378 [0,1,0,0,0,0|2,0,1]=4 103 B7R1.1 O=CC1=CNC=C1 AK-36182 [0,1,0,0,0,0|1,0,1]=3 104 B7R1.1 O=CC1=CNN=C1 AK-25836 [0,1,0,0,0,0|0,0,1]=2 105 B7R1.1 O=CC1=CNN=C1 AK158761 [0,1,0,0,0,0|0,0,1]=2 106 B7R1.1 O=CC1=CSC=C1 AK-42964 [0,1,0,0,0,0|2,0,1]=4 107 B7R1.1 OCC1=CC=CS1 AK-93468 [0,1,0,0,0,0|3,0,0]=4 108 B7R1.1 OCC1=CC=NO1 AK-68490 [0,1,0,0,0,0|2,0,0]=3 109 B7R1.1 OCC1=CN=CO1 AK-25343 [0,1,0,0,0,0|2,0,0]=3 110 B7R1.1 OCC1=COC=C1 AK-46116 [0,1,0,0,0,0|2,0,0]=3 111 B7R1.1 OCC1=CSC=C1 AK-36199 [0,1,0,0,0,0|2,0,0]=3 112 B7R1.1 OCC1=NC=NN1 AK173322 [0,1,0,0,0,0|3,0,0]=4 113 B7R1.1 OCC1=NOC=C1 AK-25087 [0,1,0,0,0,0|3,0,0]=4 114 B7R1.1 OCN1N=CN=C1 AK132964 [0,1,0,0,0,0|3,0,0]=4 115 B7R1.1 [NH]1C=CC(=N1)C#N AK-30564 [0,1,0,0,0,0|2,0,1]=4 116 B7R1.1 [NH]1C=CC(=N1)C=O AK-25900 [0,1,0,0,0,0|2,0,1]=4 117 B7R1.2 BrC1=CN=C(N)S1 AK-26181 [0,1,0,0,0,0|3,0,0]=4 118 B7R1.2 BrC1=CSC(=C1)C AK-28080 [0,1,0,0,0,0|3,0,0]=4 119 B7R1.2 BrC1=NC=C(S1)C AK-23612 [0,1,0,0,0,0|2,0,0]=3 120 B7R1.2 BrC1=NC=C(S1)Cl AK-30271 [0,1,0,0,0,0|3,0,0]=4 121 B7R1.2 BrC1=NN=C(S1)C AK-29359 [0,1,0,0,0,0|3,0,0]=4 122 B7R1.2 C1=C(Br)C=N[N]1C AK-26682 [0,1,0,0,0,0|1,0,0]=2 123 B7R1.2 C1=C(C)N=C(N)S1 AK-33524 [0,1,0,0,0,0|3,0,0]=4 124 B7R1.2 C1=C(C)SC(=N1)C AK-46393 [0,1,0,0,0,0|2,0,0]=3 125 B7R1.2 C1=C(C)[NH]N=C1C AK-50030 [0,1,0,0,0,0|2,0,0]=3 126 B7R1.2 C1=C(N=C(C)S1)C AK-35570 [0,1,0,0,0,0|3,0,0]=4 127 B7R1.2 C1=C(SC(=C1)Br)C AK-36324 [0,1,0,0,0,0|3,0,0]=4 128 B7R1.2 C1=C(SC(=N1)Br)Br AK-35104 [0,1,0,0,0,0|3,0,0]=4 129 B7R1.2 C1=C(SC(=N1)N)C AK-26992 [0,1,0,0,0,0|2,0,0]=3 130 B7R1.2 C1=C([NH]C(=N1)C)C AK-36899 [0,1,0,0,0,0|2,0,0]=3 131 B7R1.2 C1=C[N](N=C1C)C AK-47383 [0,1,0,0,0,0|2,0,0]=3 132 B7R1.2 C1=C[N](N=C1N)C AK-25543 [0,1,0,0,0,0|3,0,0]=4 133 B7R1.2 C1=N[N](C=C1C)C AK-47523 [0,1,0,0,0,0|0,0,0]=1 134 B7R1.2 CC1=CC(Br)=NN1 AK-49142 [0,1,0,0,0,0|2,0,0]=3 135 B7R1.2 CC1=CC(Br)=NO1 AK-34396 [0,1,0,0,0,0|2,0,0]=3 136 B7R1.2 CC1=CC(I)=NN1 AK100667 [0,1,0,0,0,0|2,0,0]=3 137 B7R1.2 CC1=CC(N)=NO1 AK-32792 [0,1,0,0,0,0|2,0,0]=3 138 B7R1.2 CC1=CN=C(Cl)S1 AK-34726 [0,1,0,0,0,0|2,0,0]=3 139 B7R1.2 CC1=CNC(I)=N1 AK113414 [0,1,0,0,0,0|2,0,0]=3 140 B7R1.2 CC1=CSC(Br)=N1 AK-23607 [0,1,0,0,0,0|3,0,0]=4 141 B7R1.2 CC1=NC=C(I)[NH]1 AK-32021 [0,1,0,0,0,0|3,0,0]=4 142 B7R1.2 CC1=NN=C(Br)O1 AK154074 [0,1,0,0,0,0|3,0,0]=4 143 B7R1.2 CC1=NN=C(C)N1 AK-32124 [0,1,0,0,0,0|3,0,0]=4 144 B7R1.2 CC1=NN=C(C)O1 AK-54981 [0,1,0,0,0,0|3,0,0]=4 145 B7R1.2 CC1=NN=C(S)S1 AK307153 [0,1,0,0,0,0|3,0,0]=4 146 B7R1.2 CC1=NNC(Br)=C1 AK100666 [0,1,0,0,0,0|2,0,0]=3 147 B7R1.2 CC1=NNC(Cl)=C1 AK-80228 [0,1,0,0,0,0|2,0,0]=3 148 B7R1.2 CC1=NNC(N)=C1 AK111310 [0,1,0,0,0,0|2,0,0]=3 149 B7R1.2 CC1=NOC(N)=C1 AK-33327 [0,1,0,0,0,0|3,0,0]=4 150 B7R1.2 CN1C=C(I)N=C1 AK-29464 [0,1,0,0,0,0|2,0,0]=3 151 B7R1.2 CN1C=CC(I)=N1 AK-86815 [0,1,0,0,0,0|3,0,0]=4 152 B7R1.2 CN1N=C(Br)C=C1 AK-28794 [0,1,0,0,0,0|3,0,0]=4 153 B7R1.2 CN1N=C(Br)N=C1 AK-88726 [0,1,0,0,0,0|3,0,0]=4 154 B7R1.2 CN1N=CC(I)=C1 AK-54604 [0,1,0,0,0,0|1,0,0]=2 155 B7R1.2 CN1N=NC(Br)=C1 AK-57913 [0,1,0,0,0,0|2,0,0]=3 156 B7R1.2 C[N+]1=CN(C)C=C1 AK113093 [0,1,0,0,0,0|2,0,0]=3 157 B7R1.2 C[N+]1=CN(N)C=N1 AK127265 [0,1,0,0,0,0|2,0,1]=4 158 B7R1.2 C[N+]1=CN(N)C=N1 AK340879 [0,1,0,0,0,0|2,0,1]=4 159 B7R1.2 C[N]1C=C(C=N1)N AK-30314 [0,1,0,0,0,0|1,0,0]=2 160 B7R1.2 ClC1=C[N](N=C1)C AK-49050 [0,1,0,0,0,0|1,0,0]=2 161 B7R1.2 NC1=CC(Br)=NN1 AK-48862 [0,1,0,0,0,0|3,0,0]=4 162 B7R1.2 NC1=CC(Cl)=NN1 AK100252 [0,1,0,0,0,0|3,0,0]=4 163 B7R1.2 NC1=CN(C)C=N1 AK-77405 [0,1,0,0,0,0|2,0,0]=3 164 B7R1.2 NC1=CN(C)N=C1 AK-40078 [0,1,0,0,0,0|1,0,0]=2 165 B7R1.2 NC1=CN=C(C)S1 AK-85981 [0,1,0,0,0,0|3,0,0]=4 166 B7R1.2 NC1=NC=C(Br)S1 AK-44331 [0,1,0,0,0,0|3,0,0]=4 167 B7R1.2 NC1=NC=C(F)S1 AK-37762 [0,1,0,0,0,0|3,0,0]=4 168 B7R1.2 NC1=NN(C)C=N1 AK105396 [0,1,0,0,0,0|3,0,0]=4 169 B7R1.2 NC1=NN=C(C)O1 AK-35499 [0,1,0,0,0,0|3,0,0]=4 170 B7R1.2 NC1=NNC(C)=C1 AK-29128 [0,1,0,0,0,0|2,0,0]=3 171 B7R1.2 NC1=NOC(C)=N1 AK-94935 [0,1,0,0,0,0|3,0,0]=4 172 B7R1.2 O=C1C=C(NN1)N AK-40891 [0,1,0,0,0,0|3,0,0]=4 173 B7R1.2 O=C1CC(C)=NN1 AK-28727 [0,1,0,0,0,0|2,0,1]=4 174 B7R1.2 O=C1COC(C)=C1 AK142223 [0,1,0,0,0,0|3,0,0]=4 175 B7R1.2 O=C1NN(C)C=C1 AK-67583 [0,1,0,0,0,0|3,0,0]=4 176 B7R1.2 O=C1NNC(C)=C1 AK-25972 [0,1,0,0,0,0|2,0,0]=3 177 B7R1.2 O=C1NOC(C)=C1 AK158281 [0,1,0,0,0,0|2,0,0]=3 178 B7R1.2 O=C1OC(C)=CC1 AK601784 [0,1,0,0,0,0|3,0,0]=4 179 B7R1.2 OC1=CN(C)N=C1 AK311462 [0,1,0,0,0,0|1,0,0]=2 180 B7R1.2 OC1=NSC(Cl)=C1 AK-80655 [0,1,0,0,0,0|3,0,0]=4 181 B7R1.4 BrC1=C(Br)N=NN1 AK-33426 [0,1,0,0,0,0|2,0,0]=3 182 B7R1.4 BrC1=C(I)SC=C1 AK-81714 [0,1,0,0,0,0|3,0,0]=4 183 B7R1.4 BrC1=CC=N[N]1C AK-34841 [0,1,0,0,0,0|3,0,0]=4 184 B7R1.4 BrC1=CSC=C1I AK-82208 [0,1,0,0,0,0|3,0,0]=4 185 B7R1.4 C1=C(Br)C(=CS1)Br AK-46302 [0,1,0,0,0,0|3,0,0]=4 186 B7R1.4 C1=C(N)[N](C)N=C1 AK-23556 [0,1,0,0,0,0|3,0,0]=4 187 B7R1.4 C1=CC(=C(S1)Br)C AK-46588 [0,1,0,0,0,0|2,0,0]=3 188 B7R1.4 C1=CSC(=C1Br)Br AK-25755 [0,1,0,0,0,0|3,0,0]=4 189 B7R1.4 C1=N[NH]C(=C1Br)N AK-23671 [0,1,0,0,0,0|1,0,0]=2 190 B7R1.4 CC1=C(Br)C=NO1 AK112982 [0,1,0,0,0,0|2,0,0]=3 191 B7R1.4 CC1=C(Br)NC=N1 AK-92496 [0,1,0,0,0,0|2,0,0]=3 192 B7R1.4 CC1=C(Br)NN=N1 AK109316 [0,1,0,0,0,0|1,0,0]=2 193 B7R1.4 CC1=C(Br)SC=N1 AK-40873 [0,1,0,0,0,0|3,0,0]=4 194 B7R1.4 CC1=C(C)N=CN1 AK157739 [0,1,0,0,0,0|2,0,0]=3 195 B7R1.4 CC1=C(C)N=CS1 AK-46395 [0,1,0,0,0,0|2,0,0]=3 196 B7R1.4 CC1=C(I)NC=N1 AK128524 [0,1,0,0,0,0|2,0,0]=3 197 B7R1.4 CC1=CC=NN1C AK-36127 [0,1,0,0,0,0|2,0,0]=3 198 B7R1.4 CC1=CNN=C1C AK111434 [0,1,0,0,0,0|0,0,0]=1 199 B7R1.4 CC1=CNN=C1C AK117330 [0,1,0,0,0,0|0,0,0]=1 200 B7R1.4 CC1=CSC=C1Br AK-34597 [0,1,0,0,0,0|2,0,0]=3 201 B7R1.4 CC1=CSC=C1C AK-45919 [0,1,0,0,0,0|2,0,0]=3 202 B7R1.4 CC1=NNC=C1Br AK-24746 [0,1,0,0,0,0|1,0,0]=2 203 B7R1.4 CC1=NNC=C1I AK-73045 [0,1,0,0,0,0|1,0,0]=2 204 B7R1.4 CN1C(I)=CN=C1 AK-36203 [0,1,0,0,0,0|2,0,0]=3 205 B7R1.4 CN1C=CN=C1C AK-60401 [0,1,0,0,0,0|2,0,0]=3 206 B7R1.4 CN1C=CN=C1Cl AK-79282 [0,1,0,0,0,0|2,0,0]=3 207 B7R1.4 CN1C=CN=C1I AK-34893 [0,1,0,0,0,0|2,0,0]=3 208 B7R1.4 CN1C=NC=C1Br AK-32615 [0,1,0,0,0,0|2,0,0]=3 209 B7R1.4 CN1N=CN=C1Br AK-49045 [0,1,0,0,0,0|3,0,0]=4 210 B7R1.4 ClC1=C(Br)C=CS1 AK-25922 [0,1,0,0,0,0|3,0,0]=4 211 B7R1.4 ClC1=C(Br)SC=C1 AK-93781 [0,1,0,0,0,0|3,0,0]=4 212 B7R1.4 IC1=C(I)N=CN1 AK-28835 [0,1,0,0,0,0|3,0,0]=4 213 B7R1.4 IC1=CC=N[N]1C AK-34754 [0,1,0,0,0,0|3,0,0]=4 214 B7R1.4 NC1=CN=CN1C AK128338 [0,1,0,0,0,0|2,0,0]=3 215 B7R1.4 NC1=CNN=C1Br AK145116 [0,1,0,0,0,0|1,0,0]=2 216 B7R1.4 NC1=CNN=C1Cl AK120335 [0,1,0,0,0,0|1,0,0]=2 217 B7R1.4 NC1=CNN=C1Cl AK144425 [0,1,0,0,0,0|1,0,0]=2 218 B7R1.4 NC1=NC=CN1C AK-36047 [0,1,0,0,0,0|2,0,0]=3 219 B7R1.4 NC1=NC=CN1C AK125047 [0,1,0,0,0,0|2,0,0]=3 220 B7R1.4 NC1=NON=C1N AK-27939 [0,1,0,0,0,0|3,0,0]=4 221 B7R1.4 O=C1C(O)=CCC1 AK-43709 [0,1,0,0,0,0|3,0,0]=4 222 B7R1.4 O=C1N(C)NC=C1 AK113037 [0,1,0,0,0,0|3,0,0]=4 223 B7R1.4 O=C1NC=CN1C AK317267 [0,1,0,0,0,0|2,0,0]=3 224 B7R1.4 O=C1NCCN1C AK-78526 [0,1,0,0,0,0|2,0,1]=4 225 B7R1.4 OC1=CC=N[N]1C AK-39760 [0,1,0,0,0,0|3,0,0]=4 226 B5R0.1 NOCC(C)=C AK550273 [0,0,1,0,0,0|1,0,1]=3 227 B5R0.3 NOC(C=C)C AK550274 [0,0,1,0,0,0|2,0,1]=4 228 B5R1.2 O=C1CNC1 AK-59488 [0,0,0,0,1,0|1,0,2]=4 229 B5R1.2 O=C1NCC1 AK-36897 [0,0,0,0,1,0|2,0,1]=4 230 B7R1.3 BrC1=CC=NC=C1 AK-47562 [0,0,0,0,0,1|2,0,0]=3 231 B7R1.3 BrC1=NC=CN=C1 AK-21911 [0,0,0,0,0,1|2,0,0]=3 232 B7R1.3 C1=C(C)C=NC=N1 AK-30562 [0,0,0,0,0,1|0,0,1]=2 233 B7R1.3 C1=C(C)C=NN=C1 AK-30760 [0,0,0,0,0,1|0,0,1]=2 234 B7R1.3 C1=C(C=NC=N1)N AK-23967 [0,0,0,0,0,1|1,0,1]=3 235 B7R1.3 C1=C(C=NN=C1)N AK-23741 [0,0,0,0,0,1|1,0,1]=3 236 B7R1.3 C1=C(Cl)C=CN=C1 AK-50078 [0,0,0,0,0,1|2,0,0]=3 237 B7R1.3 C1=CC=NN=C1N AK-21777 [0,0,0,0,0,1|3,0,0]=4 238 B7R1.3 C1=CC=NN=C1N AK-23968 [0,0,0,0,0,1|3,0,0]=4 239 B7R1.3 C1=CN=CN=C1N AK-24798 [0,0,0,0,0,1|2,0,0]=3 240 B7R1.3 C1=NC=NC=C1Br AK-46790 [0,0,0,0,0,1|1,0,1]=3 241 B7R1.3 CC1=CN=CC=N1 AK-88672 [0,0,0,0,0,1|1,0,0]=2 242 B7R1.3 CC1=NC=NC=C1 AK-34763 [0,0,0,0,0,1|1,0,0]=2 243 B7R1.3 ClC1=CC=NN=C1 AK-76794 [0,0,0,0,0,1|1,0,1]=3 244 B7R1.3 ClC1=CN=CN=C1 AK-26627 [0,0,0,0,0,1|1,0,1]=3 245 B7R1.3 ClC1=NC=NC=C1 AK-87917 [0,0,0,0,0,1|2,0,0]=3 246 B7R1.3 FC1=CC=NC=C1 AK-61793 [0,0,0,0,0,1|2,0,0]=3 247 B7R1.3 FC1=CN=CN=C1 AK-30119 [0,0,0,0,0,1|1,0,1]=3 248 B7R1.3 IC1=CC=CC=C1 AK-88660 [0,0,0,0,0,1|3,0,0]=4 249 B7R1.3 IC1=CC=CN=C1 AK-46371 [0,0,0,0,0,1|2,0,0]=3 250 B7R1.3 IC1=CC=NC=C1 AK-47904 [0,0,0,0,0,1|2,0,0]=3 251 B7R1.3 IC1=CN=CC=N1 AK-23638 [0,0,0,0,0,1|2,0,0]=3 252 B7R1.3 IC1=CN=CN=C1 AK-24277 [0,0,0,0,0,1|1,0,1]=3 253 B7R1.3 IC1=NC=CC=C1 AK-43060 [0,0,0,0,0,1|3,0,0]=4 254 B7R1.3 N1=CN=C(C=C1)O AK-25153 [0,0,0,0,0,1|2,0,0]=3 255 B7R1.3 NC1=CC=NN=C1 AK170584 [0,0,0,0,0,1|1,0,1]=3 256 B7R1.3 NC1=NC=CN=C1 AK-24896 [0,0,0,0,0,1|2,0,0]=3 257 B7R1.3 NC1=NC=CN=N1 AK-39292 [0,0,0,0,0,1|3,0,0]=4 258 B7R1.3 O=C1C=CC=NN1 AK-29318 [0,0,0,0,0,1|3,0,0]=4 259 B7R1.3 O=C1C=COC=C1 AK110934 [0,0,0,0,0,1|3,0,0]=4 260 B7R1.3 O=C1NC=CN=C1 AK-24500 [0,0,0,0,0,1|2,0,0]=3 261 B7R1.3 O=C1NC=NC=C1 Ak-75843 [0,0,0,0,0,1|2,0,0]=3 262 B7R1.3 OC1=CC=CN=C1 AK-44238 [0,0,0,0,0,1|2,0,0]=3 263 B7R1.3 OC1=CC=NC=C1 AK110406 [0,0,0,0,0,1|2,0,0]=3 264 B7R1.3 OC1=CN=CN=C1 AK-28351 [0,0,0,0,0,1|1,0,1]=3 265 B7R1.3 OC1=CN=NC=C1 AK-28962 [0,0,0,0,0,1|1,0,1]=3 266 B7R1.3 [S-]C1=CC=CC=C1 AK316593 [0,0,0,0,0,1|3,0,0]=4 267 B4R0.1 C(N)C(=O)C AK-42698 [1,0,1,0,0,0|1,0,1]=4 268 B4R0.1 CC(NN)=N AK114707 [1,0,1,0,0,0|1,0,0]=3 269 B4R0.1 C\C(N)=N\O AK-91616 [1,0,1,0,0,0|2,0,0]=4 270 B4R0.1 NNC(N)=N AK140136 [1,0,1,0,0,0|2,0,0]=4 271 B4R0.2 C=CCCN AK165308 [1,0,1,0,0,0|1,0,1]=4 272 B4R0.2 NOCC=C AK208821 [1,0,1,0,0,0|1,0,1]=4 273 B6R0.2 CC(\C=C(N)\C)=O AK-39642 [0,1,1,0,0,0|2,0,0]=4 274 B8R1.2 BrCC1=CC=CN=C1 AK-44682 [0,1,0,0,0,1|1,0,0]=3 275 B8R1.2 BrCC1=CC=NC=C1 AK-40271 [0,1,0,0,0,1|1,0,0]=3 276 B8R1.2 BrCC1=CN=CN=C1 AK150782 [0,1,0,0,0,1|0,0,1]=3 277 B8R1.2 BrCC1=NC=CC=C1 AK-78919 [0,1,0,0,0,1|2,0,0]=4 278 B8R1.2 BrCC1=NC=CN=C1 AK143784 [0,1,0,0,0,1|1,0,0]=3 279 B8R1.2 BrCC1=NC=NC=C1 AK109329 [0,1,0,0,0,1|1,0,0]=3 280 B8R1.2 BrCC1=NN=CC=C1 AK-77169 [0,1,0,0,0,1|2,0,0]=4 281 B8R1.2 C#CC1=CC=CN=C1 AK-39524 [0,1,0,0,0,1|1,0,1]=4 282 B8R1.2 C#CC1=CC=NC=C1 AK-32285 [0,1,0,0,0,1|1,0,1]=4 283 B8R1.2 C#CC1=CC=NC=C1 AK-61719 [0,1,0,0,0,1|1,0,1]=4 284 B8R1.2 C#CC1=NC=CN=C1 AK185335 [0,1,0,0,0,1|1,0,1]=4 285 B8R1.2 C(#C)C1=CN=CN=C1 AK-31058 [0,1,0,0,0,1|0,0,2]=4 286 B8R1.2 C1=C(N=CC=N1)CN AK-23965 [0,1,0,0,0,1|1,0,0]=3 287 B8R1.2 C1=CN=CC=C1OC AK-54547 [0,1,0,0,0,1|1,0,0]=3 288 B8R1.2 C1=NC=C(N=C1)CO AK-45812 [0,1,0,0,0,1|1,0,0]=3 289 B8R1.2 CNC1=CC=CN=C1 AK-72893 [0,1,0,0,0,1|1,0,0]=3 290 B8R1.2 CNC1=CC=NN=C1 AK545083 [0,1,0,0,0,1|0,0,1]=3 291 B8R1.2 COC1=CC=CN=C1 AK-76565 [0,1,0,0,0,1|1,0,0]=3 292 B8R1.2 COC1=CC=CN=N1 AK-28954 [0,1,0,0,0,1|2,0,0]=4 293 B8R1.2 COC1=CN=CN=C1 AK-31068 [0,1,0,0,0,1|0,0,1]=3 294 B8R1.2 CSC1=NC=CN=C1 AK-41535 [0,1,0,0,0,1|1,0,0]=3 295 B8R1.2 CSC1=NC=CN=N1 AK-48101 [0,1,0,0,0,1|2,0,0]=4 296 B8R1.2 ICC1=CC=CC=C1 AK-54444 [0,1,0,0,0,1|2,0,0]=4 297 B8R1.2 N#CC1=CC=NC=C1 AK-76782 [0,1,0,0,0,1|1,0,1]=4 298 B8R1.2 N#CC1=CN=CC=C1 AK-76753 [0,1,0,0,0,1|1,0,1]=4 299 B8R1.2 N#CC1=CN=CN=C1 AK-21972 [0,1,0,0,0,1|0,0,2]=4 300 B8R1.2 N#CC1=NC=CN=C1 AK-47995 [0,1,0,0,0,1|1,0,1]=4 301 B8R1.2 N1=CN=C(C=C1)C=O AK-23925 [0,1,0,0,0,1|1,0,1]=4 302 B8R1.2 N1=CN=CC(=C1)C=O AK-25240 [0,1,0,0,0,1|0,0,2]=4 303 B8R1.2 NCC1=CC=NC=C1 AK-25866 [0,1,0,0,0,1|1,0,0]=3 304 B8R1.2 NCC1=CC=NC=C1 AK-50006 [0,1,0,0,0,1|1,0,0]=3 305 B8R1.2 NCC1=CC=NN=C1 AK-23789 [0,1,0,0,0,1|0,0,1]=3 306 B8R1.2 NCC1=CN=CN=C1 AK164227 [0,1,0,0,0,1|0,0,1]=3 307 B8R1.2 NCC1=NC=CN=C1 AK-50813 [0,1,0,0,0,1|1,0,0]=3 308 B8R1.2 NCC1=NC=NC=C1 AK-23966 [0,1,0,0,0,1|1,0,0]=3 309 B8R1.2 NNC1=CC=CN=C1 AK-40869 [0,1,0,0,0,1|2,0,0]=4 310 B8R1.2 NNC1=CC=CN=C1 AK-75799 [0,1,0,0,0,1|2,0,0]=4 311 B8R1.2 NNC1=CC=NC=C1 AK-51295 [0,1,0,0,0,1|2,0,0]=4 312 B8R1.2 NNC1=NC=CN=C1 AK-44383 [0,1,0,0,0,1|2,0,0]=4 313 B8R1.2 O=CC1=CC=NC=C1 AK-50192 [0,1,0,0,0,1|1,0,1]=4 314 B8R1.2 OCC1=CC=CN=C1 AK-46173 [0,1,0,0,0,1|1,0,0]=3 315 B8R1.2 OCC1=CC=NC=C1 AK-44706 [0,1,0,0,0,1|1,0,0]=3 316 B8R1.2 OCC1=CC=NC=C1 AK175384 [0,1,0,0,0,1|1,0,0]=3 317 B8R1.2 OCC1=CN=CN=C1 AK-32022 [0,1,0,0,0,1|0,0,1]=3 318 B8R1.2 OCC1=NC=CC=C1 AK-53905 [0,1,0,0,0,1|2,0,0]=4 319 B8R1.2 OCC1=NC=NC=C1 AK-31889 [0,1,0,0,0,1|1,0,0]=3 320 B8R1.3 BrC1=CC=C(N=C1)S AK-40609 [0,1,0,0,0,1|2,0,0]=4 321 B8R1.3 BrC1=CC=C(N=N1)C AK-39367 [0,1,0,0,0,1|2,0,0]=4 322 B8R1.3 BrC1=CN=C(Br)C=C1 AK-26195 [0,1,0,0,0,1|2,0,0]=4 323 B8R1.3 BrC1=CN=C(N=C1)C AK-25093 [0,1,0,0,0,1|1,0,1]=4 324 B8R1.3 BrC1=CN=C(N=C1)I AK-21832 [0,1,0,0,0,1|1,0,1]=4 325 B8R1.3 BrC1=NC=C(C=N1)Br AK-21946 [0,1,0,0,0,1|1,0,1]=4 326 B8R1.3 BrC1=NC=C(C=N1)C AK-27837 [0,1,0,0,0,1|0,0,1]=3 327 B8R1.3 BrC1=NC=C(N=C1)Br AK-25629 [0,1,0,0,0,1|2,0,0]=4 328 B8R1.3 C1=C(Br)C=CC(=N1)Cl AK-26091 [0,1,0,0,0,1|2,0,0]=4 329 B8R1.3 C1=C(Br)C=NC(=N1)Cl AK-21948 [0,1,0,0,0,1|1,0,1]=4 330 B8R1.3 C1=C(Br)N=CC(=C1)C AK-25828 [0,1,0,0,0,1|1,0,0]=3 331 B8R1.3 C1=C(C=NC(=C1)Br)F AK-25950 [0,1,0,0,0,1|2,0,0]=4 332 B8R1.3 C1=C(C=NC(=C1)C)N AK-26763 [0,1,0,0,0,1|2,0,0]=4 333 B8R1.3 C1=C(C=NC(=C1)Cl)O AK-25948 [0,1,0,0,0,1|2,0,0]=4 334 B8R1.3 C1=C(C=NC(=C1)N)I AK-27741 [0,1,0,0,0,1|2,0,0]=4 335 B8R1.3 C1=C(C=NC(=N1)N)Br AK-17301 [0,1,0,0,0,1|1,0,1]=4 336 B8R1.3 C1=C(C=NC(=N1)N)Cl AK-23599 [0,1,0,0,0,1|1,0,1]=4 337 B8R1.3 C1=C(I)C=CC(=N1)Br AK-29482 [0,1,0,0,0,1|2,0,0]=4 338 B8R1.3 C1=C(I)N=CC(=C1)Br AK-27955 [0,1,0,0,0,1|2,0,0]=4 339 B8R1.3 C1=C(N=CC(=N1)Br)N AK-21826 [0,1,0,0,0,1|2,0,0]=4 340 B8R1.3 C1=C(O)C=NC(=C1)C AK-27703 [0,1,0,0,0,1|2,0,0]=4 341 B8R1.3 C1=CC(=NC=C1Br)C AK-25801 [0,1,0,0,0,1|2,0,0]=4 342 B8R1.3 C1=CC(=NC=C1Br)N AK-26973 [0,1,0,0,0,1|2,0,0]=4 343 B8R1.3 C1=CC(=NC=C1Cl)Cl AK-33531 [0,1,0,0,0,1|2,0,0]=4 344 B8R1.3 C1=NC(=CC=C1F)N AK-25604 [0,1,0,0,0,1|2,0,0]=4 345 B8R1.3 C1=NC(=CC=C1I)Cl AK-24891 [0,1,0,0,0,1|2,0,0]=4 346 B8R1.3 C1=NC(=CN=C1C)C AK-33017 [0,1,0,0,0,1|1,0,0]=3 347 B8R1.3 C1=NC(=CN=C1Cl)Cl AK-25558 [0,1,0,0,0,1|2,0,0]=4 348 B8R1.3 C1=NC(=NC=C1N)C AK-24688 [0,1,0,0,0,1|1,0,1]=4 349 B8R1.3 CC1=CC=C(Cl)N=N1 AK-28484 [0,1,0,0,0,1|2,0,0]=4 350 B8R1.3 CC1=CC=C(I)C=C1 AK-95999 [0,1,0,0,0,1|2,0,0]=4 351 B8R1.3 CC1=CN=C(Cl)C=C1 AK-33822 [0,1,0,0,0,1|1,0,0]=3 352 B8R1.3 CC1=CN=C(Cl)N=C1 AK-24031 [0,1,0,0,0,1|0,0,1]=3 353 B8R1.3 CC1=CNC(C=N1)=O AK-28246 [0,1,0,0,0,1|1,0,0]=3 354 B8R1.3 CC1=NC=C(C=N1)O AK-28497 [0,1,0,0,0,1|1,0,1]=4 355 B8R1.3 CC1=NC=C(Cl)C=C1 AK-36211 [0,1,0,0,0,1|2,0,0]=4 356 B8R1.3 CC1=NC=C(F)C=C1 AK-25749 [0,1,0,0,0,1|2,0,0]=4 357 B8R1.3 CC1=NC=C(F)C=N1 AK-68162 [0,1,0,0,0,1|1,0,1]=4 358 B8R1.3 CC1=NC=C(I)C=C1 AK-36128 [0,1,0,0,0,1|2,0,0]=4 359 B8R1.3 CC1=NN=C(C)C=C1 AK130999 [0,1,0,0,0,1|2,0,0]=4 360 B8R1.3 ClC1=CN=C(Br)C=C1 AK-25938 [0,1,0,0,0,1|2,0,0]=4 361 B8R1.3 ClC1=CN=C(Br)C=N1 AK-28493 [0,1,0,0,0,1|2,0,0]=4 362 B8R1.3 ClC1=CN=C(Br)N=C1 AK-33035 [0,1,0,0,0,1|1,0,1]=4 363 B8R1.3 ClC1=CN=C(C=C1)I AK-24954 [0,1,0,0,0,1|2,0,0]=4 364 B8R1.3 ClC1=CN=C(C=N1)O AK-26414 [0,1,0,0,0,1|2,0,0]=4 365 B8R1.3 ClC1=CN=C(N=C1)I AK-23637 [0,1,0,0,0,1|1,0,1]=4 366 B8R1.3 ClC1=NC=C(C=C1)F AK-25752 [0,1,0,0,0,1|2,0,0]=4 367 B8R1.3 ClC1=NC=C(C=N1)Cl AK-25027 [0,1,0,0,0,1|1,0,1]=4 368 B8R1.3 ClC1=NC=C(C=N1)I AK-23624 [0,1,0,0,0,1|1,0,1]=4 369 B8R1.3 ClC1=NC=C(C=N1)O AK-26032 [0,1,0,0,0,1|1,0,1]=4 370 B8R1.3 ClC1=NC=C(N)C=C1 AK-27135 [0,1,0,0,0,1|2,0,0]=4 371 B8R1.3 ClC1=NC=C(N=C1)C AK-28274 [0,1,0,0,0,1|1,0,0]=3 372 B8R1.3 FC1=CN=C(Br)C=N1 AK151504 [0,1,0,0,0,1|2,0,0]=4 373 B8R1.3 FC1=CN=C(Cl)N=C1 AK-32237 [0,1,0,0,0,1|1,0,1]=4 374 B8R1.3 FC1=NC=C(Br)C=N1 AK-39340 [0,1,0,0,0,1|1,0,1]=4 375 B8R1.3 FC1=NC=C(C=C1)C AK-25638 [0,1,0,0,0,1|1,0,0]=3 376 B8R1.3 IC1=CN=C(Br)C=N1 AK-24107 [0,1,0,0,0,1|2,0,0]=4 377 B8R1.3 IC1=CN=C(Br)N=C1 AK313592 [0,1,0,0,0,1|1,0,1]=4 378 B8R1.3 IC1=CN=C(F)C=C1 AK-28883 [0,1,0,0,0,1|2,0,0]=4 379 B8R1.3 IC1=CN=C(N)N=C1 AK-23600 [0,1,0,0,0,1|1,0,1]=4 380 B8R1.3 IC1=CNC(=O)C=C1 AK-25382 [0,1,0,0,0,1|2,0,0]=4 381 B8R1.3 IC1=NC=C(F)C=C1 AK-28852 [0,1,0,0,0,1|2,0,0]=4 382 B8R1.3 NC1=CC=C(Br)N=C1 AK-25387 [0,1,0,0,0,1|2,0,0]=4 383 B8R1.3 NC1=CC=C(Cl)C=N1 AK-32799 [0,1,0,0,0,1|2,0,0]=4 384 B8R1.3 NC1=CC=C(O)C=N1 AK-40830 [0,1,0,0,0,1|2,0,0]=4 385 B8R1.3 NC1=CN=C(C=C1)F AK-25524 [0,1,0,0,0,1|2,0,0]=4 386 B8R1.3 NC1=CN=C(N)C=C1 AK-64957 [0,1,0,0,0,1|2,0,0]=4 387 B8R1.3 NC1=CN=C(N=C1)Br AK-24577 [0,1,0,0,0,1|1,0,1]=4 388 B8R1.3 NC1=CN=C(N=C1)Cl AK-24171 [0,1,0,0,0,1|1,0,1]=4 389 B8R1.3 NC1=CN=C(O)C=C1 AK-48682 [0,1,0,0,0,1|2,0,0]=4 390 B8R1.3 NC1=NC=C(C)C=N1 AK-25022 [0,1,0,0,0,1|0,0,1]=3 391 B8R1.3 NC1=NC=C(C=N1)F AK-27248 [0,1,0,0,0,1|1,0,1]=4 392 B8R1.3 NC1=NC=C(N)N=C1 AK134920 [0,1,0,0,0,1|2,0,0]=4 393 B8R1.3 NC1=NC=C(N=C1)C AK-24580 [0,1,0,0,0,1|1,0,0]=3 394 B8R1.3 NC1=NC=C(N=C1)Cl AK-23598 [0,1,0,0,0,1|2,0,0]=4 395 B8R1.3 NC1=NC=C(N=C1)I AK-24227 [0,1,0,0,0,1|2,0,0]=4 396 B8R1.3 O=C1C=CC(C)=NN1 AK-33134 [0,1,0,0,0,1|2,0,0]=4 397 B8R1.3 O=C1C=CC(Cl)=CN1 AK-30015 [0,1,0,0,0,1|2,0,0]=4 398 B8R1.3 O=C1C=CC(N)=CN1 AK-30033 [0,1,0,0,0,1|2,0,0]=4 399 B8R1.3 O=C1N=CC(=CN1)Br AK-23809 [0,1,0,0,0,1|1,0,0]=3 400 B8R1.3 O=C1N=CC(I)=CN1 AK-24753 [0,1,0,0,0,1|1,0,0]=3 401 B8R1.3 O=C1NC=C(C=N1)Cl AK-23982 [0,1,0,0,0,1|1,0,0]=3 402 B8R1.3 OC1=CC=C(F)N=C1 AK-23515 [0,1,0,0,0,1|2,0,0]=4 403 B8R1.3 OC1=CC=C(N)N=C1 AK-28002 [0,1,0,0,0,1|2,0,0]=4 404 B8R1.3 OC1=CN=C(Br)C=C1 AK-25164 [0,1,0,0,0,1|2,0,0]=4 405 B8R1.3 OC1=CN=C(Br)N=C1 AK-78619 [0,1,0,0,0,1|1,0,1]=4 406 B8R1.3 OC1=CNC(=O)C=C1 AK-86050 [0,1,0,0,0,1|2,0,0]=4 407 B8R1.3 OC1=NC=C(Br)C=C1 AK-28009 [0,1,0,0,0,1|2,0,0]=4 408 B8R1.3 OC1=NC=C(Br)N=C1 AK-23986 [0,1,0,0,0,1|2,0,0]=4 409 B8R1.3 OC1=NC=C(C)C=C1 AK-25236 [0,1,0,0,0,1|1,0,0]=3 410 B8R1.4 BrC1=CN=CC(Br)=C1 AK-22107 [0,1,0,0,0,1|2,0,0]=4 411 B8R1.4 BrC1=CN=CC(Br)=N1 AK-23575 [0,1,0,0,0,1|2,0,0]=4 412 B8R1.4 BrC1=NC(=NC=C1)C AK-31569 [0,1,0,0,0,1|2,0,0]=4 413 B8R1.4 BrC1=NC=CC(=C1)F AK-27032 [0,1,0,0,0,1|2,0,0]=4 414 B8R1.4 BrC1=NC=CC(=C1)I AK-28410 [0,1,0,0,0,1|2,0,0]=4 415 B8R1.4 BrC1=NC=CC(=C1)O AK-23606 [0,1,0,0,0,1|2,0,0]=4 416 B8R1.4 BrC1=NC=CC(=N1)Br AK-23565 [0,1,0,0,0,1|2,0,0]=4 417 B8R1.4 BrC1=NC=CC(=N1)C AK-25002 [0,1,0,0,0,1|1,0,0]=3 418 B8R1.4 BrC1=NC=NC(=C1)Br AK-23718 [0,1,0,0,0,1|2,0,0]=4 419 B8R1.4 BrC1=NC=NC(=C1)C AK-31752 [0,1,0,0,0,1|1,0,0]=3 420 B8R1.4 C1=C(Br)C=CN=C1C AK-23747 [0,1,0,0,0,1|2,0,0]=4 421 B8R1.4 C1=C(Br)C=CN=C1Cl AK-26300 [0,1,0,0,0,1|2,0,0]=4 422 B8R1.4 C1=C(C)C=CN=C1Cl AK-25858 [0,1,0,0,0,1|1,0,0]=3 423 B8R1.4 C1=C(C)N=CN=C1C AK-33461 [0,1,0,0,0,1|1,0,0]=3 424 B8R1.4 C1=C(C=C(C=N1)Cl)Br AK-26301 [0,1,0,0,0,1|2,0,0]=4 425 B8R1.4 C1=C(C=C(N=C1)Cl)Cl AK-25680 [0,1,0,0,0,1|2,0,0]=4 426 B8R1.4 C1=C(C=C(N=C1)N)Br AK-23588 [0,1,0,0,0,1|2,0,0]=4 427 B8R1.4 C1=C(C=CN=C1Br)C AK-26025 [0,1,0,0,0,1|1,0,0]=3 428 B8R1.4 C1=C(C=CN=C1C)Cl AK-25859 [0,1,0,0,0,1|2,0,0]=4 429 B8R1.4 C1=C(C=NC=C1Cl)O AK-27757 [0,1,0,0,0,1|2,0,0]=4 430 B8R1.4 C1=C(C=NC=C1O)Br AK-22149 [0,1,0,0,0,1|2,0,0]=4 431 B8R1.4 C1=C(C=NC=C1O)C AK-25962 [0,1,0,0,0,1|1,0,0]=3 432 B8R1.4 C1=C(F)C=NC=C1Br AK-23525 [0,1,0,0,0,1|2,0,0]=4 433 B8R1.4 C1=C(I)C=CN=C1Cl AK-26930 [0,1,0,0,0,1|2,0,0]=4 434 B8R1.4 C1=C(N)C=CN=C1Br AK-26316 [0,1,0,0,0,1|2,0,0]=4 435 B8R1.4 C1=C(N=C(C=C1)Br)C AK-26079 [0,1,0,0,0,1|2,0,0]=4 436 B8R1.4 C1=C(N=C(C=N1)Cl)N AK-25785 [0,1,0,0,0,1|2,0,0]=4 437 B8R1.4 C1=C(N=C(N=C1)C)Cl AK-21837 [0,1,0,0,0,1|2,0,0]=4 438 B8R1.4 C1=C(N=CC=C1Br)Br AK-26156 [0,1,0,0,0,1|2,0,0]=4 439 B8R1.4 C1=C(N=CC=C1N)Cl AK-27134 [0,1,0,0,0,1|2,0,0]=4 440 B8R1.4 C1=C(N=CC=C1N)N AK-29267 [0,1,0,0,0,1|2,0,0]=4 441 B8R1.4 C1=C(N=CN=C1N)Cl AK-23734 [0,1,0,0,0,1|2,0,0]=4 442 B8R1.4 C1=CC(=CC(=N1)Cl)F AK-26795 [0,1,0,0,0,1|2,0,0]=4 443 B8R1.4 C1=CC=C(N=C1C)Cl AK-32452 [0,1,0,0,0,1|2,0,0]=4 444 B8R1.4 C1=CC=C(N=C1C)F AK-25943 [0,1,0,0,0,1|2,0,0]=4 445 B8R1.4 C1=CN=C(C=C1Br)F AK-23505 [0,1,0,0,0,1|2,0,0]=4 446 B8R1.4 C1=CN=C(C=C1Cl)Br AK-25618 [0,1,0,0,0,1|2,0,0]=4 447 B8R1.4 C1=CN=C(Cl)N=C1N AK-22071 [0,1,0,0,0,1|2,0,0]=4 448 B8R1.4 C1=CN=C(N=C1Cl)N AK-22070 [0,1,0,0,0,1|2,0,0]=4 449 B8R1.4 CC1=CC(=NC=N1)N AK-24843 [0,1,0,0,0,1|1,0,0]=3 450 B8R1.4 CC1=CC(C=CN1)=O AK-25534 [0,1,0,0,0,1|2,0,0]=4 451 B8R1.4 CC1=CC(Cl)=NC=N1 AK-23766 [0,1,0,0,0,1|1,0,0]=3 452 B8R1.4 CC1=CC(F)=NC=C1 AK-26002 [0,1,0,0,0,1|1,0,0]=3 453 B8R1.4 CC1=CC(I)=CC=C1 AK161788 [0,1,0,0,0,1|2,0,0]=4 454 B8R1.4 CC1=CC(NN=C1)=O AK-39857 [0,1,0,0,0,1|0,0,0]=2 455 B8R1.4 CC1=CC=CC(I)=N1 AK-35898 [0,1,0,0,0,1|2,0,0]=4 456 B8R1.4 CC1=CC=CC(N)=N1 AK-28918 [0,1,0,0,0,1|2,0,0]=4 457 B8R1.4 CC1=CN=CC(=N1)N AK-26646 [0,1,0,0,0,1|1,0,0]=3 458 B8R1.4 CC1=CN=CC(Br)=N1 AK-28293 [0,1,0,0,0,1|1,0,0]=3 459 B8R1.4 CC1=CN=CC(C)=N1 AK-73109 [0,1,0,0,0,1|1,0,0]=3 460 B8R1.4 CC1=CN=CC(Cl)=C1 AK-25547 [0,1,0,0,0,1|1,0,0]=3 461 B8R1.4 CC1=CN=CC(Cl)=N1 AK-28258 [0,1,0,0,0,1|1,0,0]=3 462 B8R1.4 CC1=CN=CC(F)=C1 AK-25942 [0,1,0,0,0,1|1,0,0]=3 463 B8R1.4 CC1=NC(C)=NC=C1 AK128381 [0,1,0,0,0,1|1,0,0]=3 464 B8R1.4 CC1=NC(Cl)=NC=C1 AK-25001 [0,1,0,0,0,1|1,0,0]=3 465 B8R1.4 CC1=NC(I)=NC=C1 AK-31571 [0,1,0,0,0,1|1,0,0]=3 466 B8R1.4 CC1=NC(O)=NC=C1 AK-24705 [0,1,0,0,0,1|1,0,0]=3 467 B8R1.4 CC1=NC=CC(I)=C1 AK-29006 [0,1,0,0,0,1|2,0,0]=4 468 B8R1.4 ClC1=CC(=CN=N1)Cl AK-33824 [0,1,0,0,0,1|1,0,1]=4 469 B8R1.4 ClC1=CC(=NC=C1)F AK-25827 [0,1,0,0,0,1|2,0,0]=4 470 B8R1.4 ClC1=CC(=NC=C1)O AK-25941 [0,1,0,0,0,1|2,0,0]=4 471 B8R1.4 ClC1=CC(I)=CN=C1 AK-44424 [0,1,0,0,0,1|2,0,0]=4 472 B8R1.4 ClC1=CC(N)=NC=C1 AK-23590 [0,1,0,0,0,1|2,0,0]=4 473 B8R1.4 ClC1=CC(NC=N1)=O AK-23859 [0,1,0,0,0,1|2,0,0]=4 474 B8R1.4 ClC1=CN=CC(=N1)O AK-30468 [0,1,0,0,0,1|2,0,0]=4 475 B8R1.4 ClC1=CN=CC(Cl)=N1 AK-26010 [0,1,0,0,0,1|2,0,0]=4 476 B8R1.4 ClC1=NC(Cl)=NC=C1 AK-22106 [0,1,0,0,0,1|2,0,0]=4 477 B8R1.4 ClC1=NC=CC(Br)=N1 AK-50462 [0,1,0,0,0,1|2,0,0]=4 478 B8R1.4 FC1=CC(=CN=C1)O AK-23521 [0,1,0,0,0,1|2,0,0]=4 479 B8R1.4 FC1=CC(I)=CN=C1 AK-50098 [0,1,0,0,0,1|2,0,0]=4 480 B8R1.4 FC1=NC=CC(=C1)O AK-29007 [0,1,0,0,0,1|2,0,0]=4 481 B8R1.4 IC1=CC(=O)NC=C1 AK-30137 [0,1,0,0,0,1|2,0,0]=4 482 B8R1.4 IC1=CC(Cl)=NC=N1 AK-28543 [0,1,0,0,0,1|2,0,0]=4 483 B8R1.4 IC1=CC(F)=NC=C1 AK-25615 [0,1,0,0,0,1|2,0,0]=4 484 B8R1.4 IC1=CN=CC(Br)=C1 AK-23687 [0,1,0,0,0,1|2,0,0]=4 485 B8R1.4 IC1=NC(=CN=C1)I AK-23578 [0,1,0,0,0,1|2,0,0]=4 486 B8R1.4 IC1=NC(N)=NC=C1 AK-28214 [0,1,0,0,0,1|2,0,0]=4 487 B8R1.4 IC1=NC=CC(Cl)=C1 AK112901 [0,1,0,0,0,1|2,0,0]=4 488 B8R1.4 NC1=CC(=CN=C1)Cl AK-23676 [0,1,0,0,0,1|2,0,0]=4 489 B8R1.4 NC1=CC(=CN=C1)F AK-25590 [0,1,0,0,0,1|2,0,0]=4 490 B8R1.4 NC1=CC(=CN=C1)O AK-23677 [0,1,0,0,0,1|2,0,0]=4 491 B8R1.4 NC1=CC(=CN=C1)O AK-27981 [0,1,0,0,0,1|2,0,0]=4 492 B8R1.4 NC1=CC(=NC=C1)C AK-28926 [0,1,0,0,0,1|2,0,0]=4 493 B8R1.4 NC1=CC(=NC=C1)F AK-23726 [0,1,0,0,0,1|2,0,0]=4 494 B8R1.4 NC1=CC(=NC=C1)O AK-23727 [0,1,0,0,0,1|2,0,0]=4 495 B8R1.4 NC1=CC(Br)=CN=C1 AK-31985 [0,1,0,0,0,1|2,0,0]=4 496 B8R1.4 NC1=CC(Cl)=NN=C1 AK-49658 [0,1,0,0,0,1|1,0,1]=4 497 B8R1.4 NC1=CC(N)=CN=C1 AK-81907 [0,1,0,0,0,1|2,0,0]=4 498 B8R1.4 NC1=CC(N)=NC=N1 AK-29055 [0,1,0,0,0,1|2,0,0]=4 499 B8R1.4 NC1=NC(=CN=C1)Br AK-26617 [0,1,0,0,0,1|2,0,0]=4 500 B8R1.4 NC1=NC(C)=NC=C1 AK-30457 [0,1,0,0,0,1|2,0,0]=4 501 B8R1.4 NC1=NC(F)=NC=C1 AK342333 [0,1,0,0,0,1|2,0,0]=4 502 B8R1.4 NC1=NC(N)=CN=C1 AK-64864 [0,1,0,0,0,1|2,0,0]=4 503 B8R1.4 NC1=NC=CC(=C1)F AK-28128 [0,1,0,0,0,1|2,0,0]=4 504 B8R1.4 NC1=NC=CC(=C1)O AK-23591 [0,1,0,0,0,1|2,0,0]=4 505 B8R1.4 NC1=NC=CC(Br)=N1 AK-24498 [0,1,0,0,0,1|2,0,0]=4 506 B8R1.4 NC1=NC=NC(=C1)Br AK-24966 [0,1,0,0,0,1|2,0,0]=4 507 B8R1.4 NC1=NC=NC(=C1)I AK-25049 [0,1,0,0,0,1|2,0,0]=4 508 B8R1.4 O=C1C=C(Br)C=CN1 AK-75682 [0,1,0,0,0,1|2,0,0]=4 509 B8R1.4 O=C1C=C(Cl)C=NN1 AK-36026 [0,1,0,0,0,1|1,0,0]=3 510 B8R1.4 O=C1C=C(Cl)NC=C1 AK-26966 [0,1,0,0,0,1|2,0,0]=4 511 B8R1.4 O=C1C=C(F)C=CN1 AK-29630 [0,1,0,0,0,1|2,0,0]=4 512 B8R1.4 O=C1C=C(I)C=NN1 AK-39251 [0,1,0,0,0,1|1,0,0]=3 513 B8R1.4 O=C1C=C(N)C=NN1 AK-86654 [0,1,0,0,0,1|1,0,0]=3 514 B8R1.4 O=C1C=C(NC=N1)N AK-25319 [0,1,0,0,0,1|2,0,0]=4 515 B8R1.4 O=C1C=CC=C(C)N1 AK-29158 [0,1,0,0,0,1|2,0,0]=4 516 B8R1.4 O=C1N=C(N)C=CN1 AK-77374 [0,1,0,0,0,1|2,0,0]=4 517 B8R1.4 O=C1N=C(N)NC=C1 AK-77015 [0,1,0,0,0,1|2,0,0]=4 518 B8R1.4 O=C1NC(=NC=C1)N AK-23592 [0,1,0,0,0,1|2,0,0]=4 519 B8R1.4 O=C1NC(C)=NC=C1 AK-46845 [0,1,0,0,0,1|2,0,0]=4 520 B8R1.4 O=C1NC(C=CN1)=O AK-86824 [0,1,0,0,0,1|2,0,0]=4 521 B8R1.4 O=C1NC(NN=C1)=S AK155540 [0,1,0,0,0,1|1,0,0]=3 522 B8R1.4 O=C1NC=NC(C)=C1 AK-23779 [0,1,0,0,0,1|1,0,0]=3 523 B8R1.4 OC1=CC(Br)=NC=N1 AK-26788 [0,1,0,0,0,1|2,0,0]=4 524 B8R1.4 OC1=CC(O)=NC=N1 AK-44076 [0,1,0,0,0,1|2,0,0]=4 525 B8R1.4 OC1=CC=NC(Cl)=N1 AK-54507 [0,1,0,0,0,1|2,0,0]=4 526 B8R1.4 OC1=CN=CC(O)=C1 AK-45937 [0,1,0,0,0,1|2,0,0]=4 527 B8R1.4 OC1=CN=NC(O)=N1 AK-73041 [0,1,0,0,0,1|1,0,1]=4 528 B8R1.4 OC1=NC(=NC=C1)C AK-21836 [0,1,0,0,0,1|2,0,0]=4 529 B8R1.4 OC1=NC(=S)NC=C1 AK-41390 [0,1,0,0,0,1|2,0,0]=4 530 B8R1.4 OC1=NC(C)=CN=C1 AK-26663 [0,1,0,0,0,1|1,0,0]=3 531 B8R1.4 OC1=NC=CC(Br)=C1 AK-23746 [0,1,0,0,0,1|2,0,0]=4 532 B8R1.4 OC1=NC=CC(C)=C1 AK-33151 [0,1,0,0,0,1|1,0,0]=3 533 B8R1.4 OC1=NC=CC(O)=C1 AK-44036 [0,1,0,0,0,1|2,0,0]=4 534 B8R1.4 S=C1N=C(C)C=CN1 AK-45762 [0,1,0,0,0,1|1,0,0]=3 535 B8R1.4 S=C1NC=NC(C)=C1 AK670613 [0,1,0,0,0,1|1,0,0]=3 536 B8R1.5 BrC1=C(Br)C=NC=C1 AK-41345 [0,1,0,0,0,1|2,0,0]=4 537 B8R1.5 BrC1=C(C=CN=C1)F AK-32932 [0,1,0,0,0,1|2,0,0]=4 538 B8R1.5 BrC1=C(C=CN=C1)O AK-18201 [0,1,0,0,0,1|2,0,0]=4 539 B8R1.5 BrC1=C(C=NC=C1)F AK-51330 [0,1,0,0,0,1|2,0,0]=4 540 B8R1.5 BrC1=C(C=NC=C1)O AK-23750 [0,1,0,0,0,1|2,0,0]=4 541 B8R1.5 BrC1=C(I)C=NC=C1 AK-26413 [0,1,0,0,0,1|2,0,0]=4 542 B8R1.5 BrC1=CC=CN=C1C AK-25896 [0,1,0,0,0,1|2,0,0]=4 543 B8R1.5 BrC1=CC=CN=C1N AK-25389 [0,1,0,0,0,1|2,0,0]=4 544 B8R1.5 BrC1=CN=CN=C1C AK-24717 [0,1,0,0,0,1|1,0,0]=3 545 B8R1.5 BrC1=NC=CC=C1Cl AK-26478 [0,1,0,0,0,1|2,0,0]=4 546 B8R1.5 BrC1=NC=CN=C1Br AK-26790 [0,1,0,0,0,1|2,0,0]=4 547 B8R1.5 C1=C(Br)C(=CC=N1)N AK-25388 [0,1,0,0,0,1|2,0,0]=4 548 B8R1.5 C1=C(C(=CN=C1)Br)Cl AK-25860 [0,1,0,0,0,1|2,0,0]=4 549 B8R1.5 C1=C(C(=NC=C1)Br)O AK-30294 [0,1,0,0,0,1|2,0,0]=4 550 B8R1.5 C1=C(C(=NC=C1)Cl)Cl AK-39485 [0,1,0,0,0,1|2,0,0]=4 551 B8R1.5 C1=C(C(=NC=C1)Cl)O AK-30100 [0,1,0,0,0,1|2,0,0]=4 552 B8R1.5 C1=C(C(=NC=C1)F)C AK-34277 [0,1,0,0,0,1|1,0,0]=3 553 B8R1.5 C1=CC=NC(=C1Br)Br AK-32432 [0,1,0,0,0,1|2,0,0]=4 554 B8R1.5 C1=CC=NC(=C1Br)Cl AK-27263 [0,1,0,0,0,1|2,0,0]=4 555 B8R1.5 C1=CC=NC(=C1C)Cl AK-25527 [0,1,0,0,0,1|1,0,0]=3 556 B8R1.5 C1=CC=NC(=C1I)Cl AK-26334 [0,1,0,0,0,1|2,0,0]=4 557 B8R1.5 C1=CC=NC(=C1O)I AK-25929 [0,1,0,0,0,1|2,0,0]=4 558 B8R1.5 C1=CC=NC(=C1O)N AK-32377 [0,1,0,0,0,1|2,0,0]=4 559 B8R1.5 C1=CN=C(C(=C1)Cl)F AK-33350 [0,1,0,0,0,1|2,0,0]=4 560 B8R1.5 C1=CN=C(C(=C1)I)N AK-39162 [0,1,0,0,0,1|2,0,0]=4 561 B8R1.5 C1=CN=C(C(=N1)C)Cl AK-28587 [0,1,0,0,0,1|1,0,0]=3 562 B8R1.5 C1=CN=C(C(=N1)Cl)N AK-21993 [0,1,0,0,0,1|2,0,0]=4 563 B8R1.5 C1=CN=C(N)C(=N1)N AK-23932 [0,1,0,0,0,1|2,0,0]=4 564 B8R1.5 C1=CN=CC(=C1C)Br AK-25806 [0,1,0,0,0,1|1,0,0]=3 565 B8R1.5 C1=CN=CC(=C1C)N AK-27057 [0,1,0,0,0,1|1,0,0]=3 566 B8R1.5 C1=CN=CC(=C1N)I AK-25071 [0,1,0,0,0,1|2,0,0]=4 567 B8R1.5 C1=NC(=C(C=N1)N)C AK-28385 [0,1,0,0,0,1|1,0,0]=3 568 B8R1.5 C1=NC=CC(=C1N)I AK-28715 [0,1,0,0,0,1|2,0,0]=4 569 B8R1.5 CC1=C(Br)C=CN=C1 AK-50602 [0,1,0,0,0,1|1,0,0]=3 570 B8R1.5 CC1=C(Br)N=CC=N1 AK-31997 [0,1,0,0,0,1|1,0,0]=3 571 B8R1.5 CC1=C(Cl)C=CN=C1 AK-25556 [0,1,0,0,0,1|1,0,0]=3 572 B8R1.5 CC1=C(Cl)N=NC=C1 AK-36098 [0,1,0,0,0,1|0,0,1]=3 573 B8R1.5 CC1=C(F)C=CN=C1 AK-87891 [0,1,0,0,0,1|1,0,0]=3 574 B8R1.5 CC1=C(F)C=CN=C1 AK132194 [0,1,0,0,0,1|1,0,0]=3 575 B8R1.5 CC1=C(F)C=NC=C1 AK-28364 [0,1,0,0,0,1|1,0,0]=3 576 B8R1.5 CC1=C(I)C=NC=N1 AK-30883 [0,1,0,0,0,1|1,0,0]=3 577 B8R1.5 CC1=C(O)C=NC=C1 AK-29776 [0,1,0,0,0,1|1,0,0]=3 578 B8R1.5 CC1=CC=CC=C1I AK-77011 [0,1,0,0,0,1|2,0,0]=4 579 B8R1.5 CC1=CC=CN=C1Br AK-23603 [0,1,0,0,0,1|1,0,0]=3 580 B8R1.5 CC1=CC=CN=C1O AK-75629 [0,1,0,0,0,1|1,0,0]=3 581 B8R1.5 CC1=CC=CNC1=O AK-32442 [0,1,0,0,0,1|1,0,0]=3 582 B8R1.5 CC1=CC=NNC1=O AK-28464 [0,1,0,0,0,1|0,0,0]=2 583 B8R1.5 CC1=CN=CN=C1O AK-27176 [0,1,0,0,0,1|0,0,1]=3 584 B8R1.5 CC1=NC=CC=C1F AK-33505 [0,1,0,0,0,1|2,0,0]=4 585 B8R1.5 ClC1=C(Br)C=NC=C1 AK115133 [0,1,0,0,0,1|2,0,0]=4 586 B8R1.5 ClC1=C(C=CN=C1)Cl AK-27763 [0,1,0,0,0,1|2,0,0]=4 587 B8R1.5 ClC1=C(C=CN=C1)I AK-44916 [0,1,0,0,0,1|2,0,0]=4 588 B8R1.5 ClC1=C(C=CN=C1)O AK-23518 [0,1,0,0,0,1|2,0,0]=4 589 B8R1.5 ClC1=C(C=NC=C1)O AK-25094 [0,1,0,0,0,1|2,0,0]=4 590 B8R1.5 ClC1=C(Cl)C=NN=C1 AK129544 [0,1,0,0,0,1|1,0,1]=4 591 B8R1.5 ClC1=C(N)C=CN=C1 AK-28558 [0,1,0,0,0,1|2,0,0]=4 592 B8R1.5 ClC1=C(N)C=NC=C1 AK-27797 [0,1,0,0,0,1|2,0,0]=4 593 B8R1.5 ClC1=CC=CN=C1I AK-36351 [0,1,0,0,0,1|2,0,0]=4 594 B8R1.5 ClC1=CC=NN=C1Cl AK-76963 [0,1,0,0,0,1|1,0,1]=4 595 B8R1.5 ClC1=CN=CC=C1Br AK-44084 [0,1,0,0,0,1|2,0,0]=4 596 B8R1.5 ClC1=CN=CN=C1O AK-28090 [0,1,0,0,0,1|1,0,1]=4 597 B8R1.5 ClC1=NC=CC=C1N AK-30071 [0,1,0,0,0,1|2,0,0]=4 598 B8R1.5 ClC1=NC=NC=C1Br AK-47095 [0,1,0,0,0,1|1,0,1]=4 599 B8R1.5 ClC1=NC=NC=C1C AK-25152 [0,1,0,0,0,1|0,0,1]=3 600 B8R1.5 ClC1=NC=NC=C1Cl AK-26228 [0,1,0,0,0,1|1,0,1]=4 601 B8R1.5 ClC1=NC=NC=C1I AK-24022 [0,1,0,0,0,1|1,0,1]=4 602 B8R1.5 FC1=C(Cl)C=CN=C1 AK-87634 [0,1,0,0,0,1|2,0,0]=4 603 B8R1.5 FC1=CC=CN=C1O AK-28818 [0,1,0,0,0,1|2,0,0]=4 604 B8R1.5 FC1=CN=CN=C1Cl AK-68823 [0,1,0,0,0,1|1,0,1]=4 605 B8R1.5 FC1=NC=CC=C1Br AK-25851 [0,1,0,0,0,1|2,0,0]=4 606 B8R1.5 FC1=NC=CC=C1O AK-24443 [0,1,0,0,0,1|2,0,0]=4 607 B8R1.5 IC1=C(Br)C=NC=C1 AK-50221 [0,1,0,0,0,1|2,0,0]=4 608 B8R1.5 IC1=C(C=NC=C1)O AK-23780 [0,1,0,0,0,1|2,0,0]=4 609 B8R1.5 IC1=C(Cl)C=CN=C1 AK-30171 [0,1,0,0,0,1|2,0,0]=4 610 B8R1.5 IC1=C(F)C=NC=C1 AK-29008 [0,1,0,0,0,1|2,0,0]=4 611 B8R1.5 IC1=CC=CN=C1Br AK-61736 [0,1,0,0,0,1|2,0,0]=4 612 B8R1.5 IC1=CC=CN=C1F AK-23632 [0,1,0,0,0,1|2,0,0]=4 613 B8R1.5 IC1=CN=CN=C1O AK-28049 [0,1,0,0,0,1|1,0,1]=4 614 B8R1.5 IC1=NC=CC=C1F AK140084 [0,1,0,0,0,1|2,0,0]=4 615 B8R1.5 NC1=C(Br)C=NN=C1 AK123411 [0,1,0,0,0,1|1,0,1]=4 616 B8R1.5 NC1=C(C)C=NC=C1 AK-25562 [0,1,0,0,0,1|1,0,0]=3 617 B8R1.5 NC1=C(C=CN=C1)Br AK-25647 [0,1,0,0,0,1|2,0,0]=4 618 B8R1.5 NC1=C(C=NC=C1)F AK-25616 [0,1,0,0,0,1|2,0,0]=4 619 B8R1.5 NC1=C(C=NC=C1)O AK-23732 [0,1,0,0,0,1|2,0,0]=4 620 B8R1.5 NC1=C(Cl)C=NN=C1 AK-72824 [0,1,0,0,0,1|1,0,1]=4 621 B8R1.5 NC1=C(N)C=NN=C1 AK113553 [0,1,0,0,0,1|1,0,1]=4 622 B8R1.5 NC1=CC=CN=C1Br AK-25918 [0,1,0,0,0,1|2,0,0]=4 623 B8R1.5 NC1=CC=CN=C1C AK-28661 [0,1,0,0,0,1|2,0,0]=4 624 B8R1.5 NC1=CC=CN=C1F AK-28850 [0,1,0,0,0,1|2,0,0]=4 625 B8R1.5 NC1=CC=CN=C1I AK-25585 [0,1,0,0,0,1|2,0,0]=4 626 B8R1.5 NC1=CC=NN=C1Cl AK-35644 [0,1,0,0,0,1|1,0,1]=4 627 B8R1.5 NC1=CN=CN=C1Br AK-24576 [0,1,0,0,0,1|1,0,1]=4 628 B8R1.5 NC1=CN=CN=C1Cl AK-30459 [0,1,0,0,0,1|1,0,1]=4 629 B8R1.5 NC1=CN=CN=C1I AK-39594 [0,1,0,0,0,1|1,0,1]=4 630 B8R1.5 NC1=NC=CC=C1Cl AK-23510 [0,1,0,0,0,1|2,0,0]=4 631 B8R1.5 NC1=NC=CC=C1F AK-23511 [0,1,0,0,0,1|2,0,0]=4 632 B8R1.5 NC1=NC=CN=C1Br AK-24228 [0,1,0,0,0,1|2,0,0]=4 633 B8R1.5 NC1=NC=CN=C1C AK-23583 [0,1,0,0,0,1|1,0,0]=3 634 B8R1.5 NC1=NC=CN=C1I AK-24254 [0,1,0,0,0,1|2,0,0]=4 635 B8R1.5 NC1=NC=NC=C1Br AK-23957 [0,1,0,0,0,1|1,0,1]=4 636 B8R1.5 NC1=NC=NC=C1C AK-27177 [0,1,0,0,0,1|0,0,1]=3 637 B8R1.5 NC1=NC=NC=C1Cl AK-24639 [0,1,0,0,0,1|1,0,1]=4 638 B8R1.5 NC1=NC=NC=C1F AK-31818 [0,1,0,0,0,1|1,0,1]=4 639 B8R1.5 NC1=NC=NC=C1I AK-24640 [0,1,0,0,0,1|1,0,1]=4 640 B8R1.5 NC1=NN=CC=C1N AK113555 [0,1,0,0,0,1|1,0,1]=4 641 B8R1.5 O=C1C(Br)=CC=CN1 AK-28771 [0,1,0,0,0,1|2,0,0]=4 642 B8R1.5 O=C1C(C)=NC=CN1 AK-24748 [0,1,0,0,0,1|1,0,0]=3 643 B8R1.5 O=C1C(N)=CC=CN1 AK-88485 [0,1,0,0,0,1|2,0,0]=4 644 B8R1.5 O=C1C(N)=NC=CN1 AK-23582 [0,1,0,0,0,1|2,0,0]=4 645 B8R1.5 O=C1N=CNC=C1O AK-28836 [0,1,0,0,0,1|1,0,0]=3 646 B8R1.5 O=C1NC=NC=C1Br AK-24126 [0,1,0,0,0,1|1,0,0]=3 647 B8R1.5 O=C1NC=NC=C1Br AK-31143 [0,1,0,0,0,1|1,0,0]=3 648 B8R1.5 O=C1NC=NC=C1F AK-23833 [0,1,0,0,0,1|1,0,0]=3 649 B8R1.5 O=C1NC=NC=C1O AK-76929 [0,1,0,0,0,1|1,0,0]=3 650 B8R1.5 O=C1NC=NC=C1O AK155886 [0,1,0,0,0,1|1,0,0]=3 651 B8R1.5 OC1=C(F)C=NC=C1 AK-23520 [0,1,0,0,0,1|2,0,0]=4 652 B8R1.5 OC1=C(I)C=NC=C1 AK-89378 [0,1,0,0,0,1|2,0,0]=4 653 B8R1.5 OC1=C(O)C=CN=C1 AK-45917 [0,1,0,0,0,1|2,0,0]=4 654 B8R1.5 OC1=C(O)N=CC=C1 AK-46383 [0,1,0,0,0,1|2,0,0]=4 655 B8R1.5 OC1=CC=CN=C1C AK-29777 [0,1,0,0,0,1|2,0,0]=4 656 B8R1.5 OC1=NC=CC=C1Cl AK-27733 [0,1,0,0,0,1|2,0,0]=4 657 B8R1.5 OC1=NN=CC=C1Cl AK-80631 [0,1,0,0,0,1|1,0,1]=4 658 B8R1.5 S=C1C(N)=CC=CN1 AK-79026 [0,1,0,0,0,1|2,0,0]=4 659 B8R1.1 BrC1=NOC(=C1)CN AK-22028 [0,2,0,0,0,0|2,0,0]=4 660 B8R1.1 BrCC1=CN=C(Br)S1 AK-57693 [0,2,0,0,0,0|2,0,0]=4 661 B8R1.1 C1=C(C=N[N]1C)C=O AK-27714 [0,2,0,0,0,0|0,0,1]=3 662 B8R1.1 C1=C(SC(=N1)Br)CO AK-23617 [0,2,0,0,0,0|2,0,0]=4 663 B8R1.1 CC1=CC(C=O)=NN1 AK-98775 [0,2,0,0,0,0|2,0,0]=4 664 B8R1.1 CC1=CC(CO)=NO1 AK-29211 [0,2,0,0,0,0|2,0,0]=4 665 B8R1.1 CC1=CN=C(CC)N1 AK161824 [0,2,0,0,0,0|2,0,0]=4 666 B8R1.1 CC1=NC=C(CBr)S1 AK143697 [0,2,0,0,0,0|2,0,0]=4 667 B8R1.1 CC1=NOC(CBr)=C1 AK-86975 [0,2,0,0,0,0|2,0,0]=4 668 B8R1.1 CC1=NOC(CO)=C1 AK105202 [0,2,0,0,0,0|2,0,0]=4 669 B8R1.1 CCN1N=CC(Br)=C1 AK-61918 [0,2,0,0,0,0|1,0,0]=3 670 B8R1.1 CN1C=C(C=N1)C#N AK-64440 [0,2,0,0,0,0|0,0,1]=3 671 B8R1.1 CN1C=C(CCl)N=C1 AK142814 [0,2,0,0,0,0|2,0,0]=4 672 B8R1.1 CN1C=C(CO)C=N1 AK-54525 [0,2,0,0,0,0|0,0,0]=2 673 B8R1.1 CN1C=C[N+](CC)=C1 AK161828 [0,2,0,0,0,0|2,0,0]=4 674 B8R1.1 CN1C=NC(=C1)C#N AK-45343 [0,2,0,0,0,0|2,0,0]=4 675 B8R1.1 CN1N=CC(CBr)=C1 AK171077 [0,2,0,0,0,0|0,0,0]=2 676 B8R1.1 COC1=CC(=NO1)N AK-25770 [0,2,0,0,0,0|2,0,0]=4 677 B8R1.1 C[N+]1=CN(CC)C=C1 AK161830 [0,2,0,0,0,0|2,0,0]=4 678 B8R1.1 C[N+]1=CN(CC)C=C1 AK176161 [0,2,0,0,0,0|2,0,0]=4 679 B8R1.1 ClC1=NC=C(S1)CN AK-22135 [0,2,0,0,0,0|2,0,0]=4 680 B8R1.1 ClC1=NC=C(S1)CN AK-24052 [0,2,0,0,0,0|2,0,0]=4 681 B8R1.1 IC1=CNC(C=O)=C1 AK-76715 [0,2,0,0,0,0|2,0,0]=4 682 B8R1.1 N#CC1=CC(Cl)=CN1 AK120657 [0,2,0,0,0,0|2,0,0]=4 683 B8R1.1 N#CC1=NNC(C)=C1 AK-42622 [0,2,0,0,0,0|2,0,0]=4 684 B8R1.1 N#CC1=NOC(C)=C1 AK117451 [0,2,0,0,0,0|2,0,0]=4 685 B8R1.1 NC1=CC(CC)=NN1 AK-31629 [0,2,0,0,0,0|2,0,0]=4 686 B8R1.1 NC1=NC=C(CC)S1 AK112702 [0,2,0,0,0,0|2,0,0]=4 687 B8R1.1 NC1=NOC(CC)=C1 AK173167 [0,2,0,0,0,0|2,0,0]=4 688 B8R1.1 NCC1=CN(C)N=C1 AK-35034 [0,2,0,0,0,0|0,0,0]=2 689 B8R1.1 NCC1=CN(C)N=C1 AK-76415 [0,2,0,0,0,0|0,0,0]=2 690 B8R1.1 NCC1=CN=C(Br)S1 AK164387 [0,2,0,0,0,0|2,0,0]=4 691 B8R1.1 NCC1=NOC(C)=C1 AK153364 [0,2,0,0,0,0|2,0,0]=4 692 B8R1.1 O=C1NCC(OC)=C1 AK142161 [0,2,0,0,0,0|1,0,1]=4 693 B8R1.1 O=CC1=NOC(C)=C1 AK-35881 [0,2,0,0,0,0|2,0,0]=4 694 B8R1.1 OCC1=CC(Br)=NO1 AK-28028 [0,2,0,0,0,0|2,0,0]=4 695 B8R1.1 OCC1=CN(C)C=N1 AK-44293 [0,2,0,0,0,0|2,0,0]=4 696 B8R1.1 OCC1=CN=C(C)O1 AK154941 [0,2,0,0,0,0|2,0,0]=4 697 B8R1.1 OCC1=CN=C(N)S1 AK-57568 [0,2,0,0,0,0|2,0,0]=4 698 B8R1.1 OCC1=CN=C(N)S1 AK164238 [0,2,0,0,0,0|2,0,0]=4 699 B8R1.1 OCC1=NC=C(C)S1 AK-48006 [0,2,0,0,0,0|2,0,0]=4 700 B8R1.1 OCC1=NN(C)C=C1 AK139734 [0,2,0,0,0,0|2,0,0]=4 701 B8R1.1 OCC1=NNC(N)=C1 AK145959 [0,2,0,0,0,0|2,0,0]=4 702 B8R1.7 C1=N[NH]C=C1C(O)=O AK-25877 [0,2,0,0,0,0|0,0,1]=3 703 B8R1.7 C1=N[NH]C=C1[N+]([O-])=O AK-23786 [0,2,0,0,0,0|1,0,0]=3 704 B8R1.7 CC(=O)C1=CC=NO1 AK-68495 [0,2,0,0,0,0|2,0,0]=4 705 B8R1.7 CC(=O)C1=CSC=C1 AK-44537 [0,2,0,0,0,0|2,0,0]=4 706 B8R1.7 CC(N1C=CN=C1)C AK-79287 [0,2,0,0,0,0|2,0,0]=4 707 B8R1.7 O=C(C1=CNC=C1)C AK-45953 [0,2,0,0,0,0|1,0,0]=3 708 B8R1.7 O=C(C1=CNC=N1)C AK-45163 [0,2,0,0,0,0|2,0,0]=4 709 B8R1.7 O=C(C1=CSN=C1)O AK-84534 [0,2,0,0,0,0|1,0,1]=4 710 B8R1.7 OB(C1=CNN=C1)O AK-36319 [0,2,0,0,0,0|1,0,0]=3 711 B8R1.7 OB(O)C1=CON=C1 AK-32646 [0,2,0,0,0,0|2,0,0]=4 712 B8R1.7 OC(=O)C1=CNC=C1 AK-26450 [0,2,0,0,0,0|1,0,1]=4 713 B8R1.7 OC(=O)C1=CNN=N1 AK-28855 [0,2,0,0,0,0|1,0,1]=4 714 B8R1.7 [N+](=O)([O-])C1=CON=C1 AK-24625 [0,2,0,0,0,0|2,0,0]=4 715 B8R1.7 [O-][N+](=O)C1=CNC=C1 AK-82340 [0,2,0,0,0,0|2,0,0]=4 716 B8R1.8 CCCN1C=CN=C1 AK111106 [0,2,0,0,0,0|2,0,0]=4 717 B8R1.8 CNCC1=CSC=C1 AK-49561 [0,2,0,0,0,0|2,0,0]=4 718 B8R1.8 COCN1C=CN=C1 AK116280 [0,2,0,0,0,0|2,0,0]=4 719 B8R1.8 ClCCC1=CN=CN1 AK-40927 [0,2,0,0,0,0|2,0,0]=4 720 B8R1.8 N#CCC1=CSC=C1 AK-58785 [0,2,0,0,0,0|2,0,0]=4 721 B8R1.8 N#CCN1C=CN=C1 AK-32460 [0,2,0,0,0,0|2,0,0]=4 722 B8R1.8 NCCC1=CN=CS1 AK140134 [0,2,0,0,0,0|2,0,0]=4 723 B8R1.8 NCCC1=CNC=N1 AK-29414 [0,2,0,0,0,0|2,0,0]=4 724 B8R1.8 NCCC1=CSC=C1 AK-28310 [0,2,0,0,0,0|2,0,0]=4 725 B8R1.8 NCCC1=CSC=C1 AK-49962 [0,2,0,0,0,0|2,0,0]=4 726 B8R1.8 NCCN1C=CN=C1 AK-26623 [0,2,0,0,0,0|2,0,0]=4 727 B8R1.8 NCCN1C=CN=C1 AK-33443 [0,2,0,0,0,0|2,0,0]=4 728 B8R1.8 OCCC1=CN=CN1 AK144733 [0,2,0,0,0,0|2,0,0]=4 729 B8R1.8 OCCC1=CSC=C1 AK-68259 [0,2,0,0,0,0|2,0,0]=4 730 B8R1.8 OCCN1C=CN=C1 AK-63425 [0,2,0,0,0,0|2,0,0]=4 731 B8R1.8 [NH]1C=C(C=N1)CCO AK-33792 [0,2,0,0,0,0|0,0,0]=2 732 B8R1.11 BrC1=C(SC=N1)CO AK-24335 [0,2,0,0,0,0|2,0,0]=4 733 B8R1.11 C1=CN=C(C=O)[N]1C AK-38404 [0,2,0,0,0,0|2,0,0]=4 734 B8R1.11 C1=N[NH]C(=C1C#N)N AK-23796 [0,2,0,0,0,0|0,0,1]=3 735 B8R1.11 CC1=C(C=O)N=CS1 AK-74018 [0,2,0,0,0,0|2,0,0]=4 736 B8R1.11 CC1=NSC=C1C#N AK-82179 [0,2,0,0,0,0|1,0,1]=4 737 B8R1.11 CC1=N[NH]C=C1C=O AK-27719 [0,2,0,0,0,0|0,0,1]=3 738 B8R1.11 CCC1=CNNC1=N AK-23672 [0,2,0,0,0,0|0,0,1]=3 739 B8R1.11 CN1C=CN=C1CCl AK-45446 [0,2,0,0,0,0|2,0,0]=4 740 B8R1.11 CN1C=CN=C1CN AK-38431 [0,2,0,0,0,0|2,0,0]=4 741 B8R1.11 CSC1=C(C)OC=C1 AK307519 [0,2,0,0,0,0|2,0,0]=4 742 B8R1.11 CSC1=NC=CN1C AK175602 [0,2,0,0,0,0|2,0,0]=4 743 B8R1.11 ClC1=C(CBr)C=CS1 AK113906 [0,2,0,0,0,0|2,0,0]=4 744 B8R1.11 ClC1=C(NN=C1)C#N AK100734 [0,2,0,0,0,0|1,0,0]=3 745 B8R1.11 IC1=C(NN=C1)C#N AK100735 [0,2,0,0,0,0|1,0,0]=3 746 B8R1.11 IC1=NNC=C1C#N AK100937 [0,2,0,0,0,0|0,0,1]=3 747 B8R1.11 N#CC1=C(Br)C=NN1 AK-25711 [0,2,0,0,0,0|1,0,0]=3 748 B8R1.11 N#CC1=C(N)NC=C1 AK113303 [0,2,0,0,0,0|1,0,1]=4 749 B8R1.11 N#CC1=CNN=C1C AK-76070 [0,2,0,0,0,0|0,0,1]=3 750 B8R1.11 N#CC1=CNN=C1N AK-96195 [0,2,0,0,0,0|0,0,1]=3 751 B8R1.11 N#CC1=NNC=C1N AK138881 [0,2,0,0,0,0|1,0,0]=3 752 B8R1.11 NC1=NNC=C1CC AK-75653 [0,2,0,0,0,0|0,0,0]=2 753 B8R1.11 NCC1=CC=NN1C AK-76608 [0,2,0,0,0,0|2,0,0]=4 754 B8R1.11 O=CC1=C(C)NC=N1 AK117462 [0,2,0,0,0,0|2,0,0]=4 755 B8R1.11 OCC1=C(C)N=CN1 AK-34958 [0,2,0,0,0,0|2,0,0]=4 756 B8R1.11 OCC1=CC=NN1C AK-65816 [0,2,0,0,0,0|2,0,0]=4 757 B8R1.11 OCC1=NC=CN1C AK-23555 [0,2,0,0,0,0|2,0,0]=4 758 B8R1.11 OCC1=NN=CN1C AK-32421 [0,2,0,0,0,0|1,0,1]=4 759 B8R1.18 BrC1=NC(=C(S1)C)C AK-40981 [0,2,0,0,0,0|2,0,0]=4 760 B8R1.18 CC1=C(Br)N=C(Br)S1 AK100270 [0,2,0,0,0,0|2,0,0]=4 761 B8R1.18 CC1=C(Br)N=C(N)S1 AK-76836 [0,2,0,0,0,0|2,0,0]=4 762 B8R1.18 CC1=C(C)N=C(N)S1 AK-34230 [0,2,0,0,0,0|2,0,0]=4 763 B8R1.18 CC1=C(Cl)SC(Cl)=C1 AK-63384 [0,2,0,0,0,0|2,0,0]=4 764 B8R1.18 CC1=C(N=C([NH]1)Br)Br AK-28997 [0,2,0,0,0,0|2,0,0]=4 765 B8R1.18 CC1=CC(Br)=NN1C AK142229 [0,2,0,0,0,0|2,0,0]=4 766 B8R1.18 CC1=CC(C)=NN1C AK-32793 [0,2,0,0,0,0|2,0,0]=4 767 B8R1.18 CC1=NC(C)=C(C)S1 AK-58544 [0,2,0,0,0,0|2,0,0]=4 768 B8R1.18 CC1=NN(C)C=C1I AK501768 [0,2,0,0,0,0|1,0,0]=3 769 B8R1.18 CC1=NN(C)N=C1Br AK-38687 [0,2,0,0,0,0|1,0,0]=3 770 B8R1.18 CN1N=C(Br)C(Br)=N1 AK128783 [0,2,0,0,0,0|2,0,0]=4 771 B8R1.18 CN1N=C(C)C=C1N AK-44339 [0,2,0,0,0,0|2,0,0]=4 772 B8R1.18 C[N]1C(=CC(=N1)C)O AK-39754 [0,2,0,0,0,0|2,0,0]=4 773 B8R1.18 NC1=CN(C)N=C1C AK117155 [0,2,0,0,0,0|1,0,0]=3 774 B8R1.18 NC1=NC(C)=C(C)S1 AK-93474 [0,2,0,0,0,0|2,0,0]=4 775 B8R1.18 NC1=NN(C)C(C)=C1 AK-81604 [0,2,0,0,0,0|2,0,0]=4 776 B8R1.18 NC1=NN(C)C=C1Br AK122027 [0,2,0,0,0,0|1,0,0]=3 777 B8R1.50 BrC1=C(Br)C(Br)=NN1 AK-27049 [0,2,0,0,0,0|1,0,0]=3 778 B8R1.50 CC1=C(Br)C(C)=NO1 AK-40049 [0,2,0,0,0,0|2,0,0]=4 779 B8R1.50 CC1=C(Br)N(C)C=N1 AK155413 [0,2,0,0,0,0|2,0,0]=4 780 B8R1.50 CC1=C(C)C(N)=NN1 AK-36836 [0,2,0,0,0,0|0,0,0]=2 781 B8R1.50 CC1=C(I)C(I)=NN1 AK165918 [0,2,0,0,0,0|1,0,0]=3 782 B8R1.50 CC1=C(ON=C1N)C AK-27780 [0,2,0,0,0,0|1,0,0]=3 783 B8R1.50 CC1=NC=C(Br)N1C AK-39971 [0,2,0,0,0,0|2,0,0]=4 784 B8R1.50 CC1=NOC(=C1I)C AK-32755 [0,2,0,0,0,0|2,0,0]=4 785 B8R1.50 CC1=N[NH]C(=C1I)C AK-34009 [0,2,0,0,0,0|1,0,0]=3 786 B8R1.50 CN1N=CC(N)=C1C AK105113 [0,2,0,0,0,0|1,0,0]=3 787 B8R1.50 CN1N=NC(Br)=C1Br AK201726 [0,2,0,0,0,0|2,0,0]=4 788 B8R1.50 NC1=C(C)N(C)N=C1 AK-78097 [0,2,0,0,0,0|1,0,0]=3 789 B8R1.50 NC1=C(C)ON=C1C AK114014 [0,2,0,0,0,0|2,0,0]=4 790 B8R1.50 NC1=C(Cl)C=NN1C AK143472 [0,2,0,0,0,0|1,0,0]=3 791 B8R1.50 NC1=C(N)N(C)N=C1 AK155874 [0,2,0,0,0,0|1,0,0]=3 792 B8R1.50 S=C1NN=C(C)N1C AK-34970 [0,2,0,0,0,0|1,0,0]=3 793 B6R1.1 C1=NN=CC=C1 AK120859 [0,0,1,1,0,0|0,0,2]=4 794 B6R1.1 C1CC=CCN1 AK-91689 [0,0,1,1,0,0|1,0,1]=4