0 B6R1.2 BrC1=CSN=C1 AK-29054 [0,0,0,0,0,0|4,0,0]=4 1 B6R1.2 BrC1=NC=CN1 AK-60873 [0,0,0,0,0,0|3,0,0]=3 2 B6R1.2 BrC1=NC=CS1 AK130463 [0,0,0,0,0,0|2,1,0]=3 3 B6R1.2 BrC1=NC=NS1 AK-43226 [0,0,0,0,0,0|3,1,0]=4 4 B6R1.2 BrC1=NN=CS1 AK-28207 [0,0,0,0,0,0|3,1,0]=4 5 B6R1.2 BrC1=NOC=C1 AK-32851 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 BrC1=N[NH]C=C1 AK-23694 [0,0,0,0,0,0|3,0,0]=3 7 B6R1.2 C1=C(Br)SC=N1 AK-22153 [0,0,0,0,0,0|2,1,0]=3 8 B6R1.2 C1=C(Cl)[NH]C=N1 AK-39375 [0,0,0,0,0,0|3,0,0]=3 9 B6R1.2 C1=C(N=CS1)C AK-27071 [0,0,0,0,0,0|2,0,0]=2 10 B6R1.2 C1=C([NH]C=N1)Br AK-29028 [0,0,0,0,0,0|3,0,0]=3 11 B6R1.2 C1=C([NH]N=C1)C AK-47298 [0,0,0,0,0,0|2,0,0]=2 12 B6R1.2 C1=CN=C(Cl)S1 AK-21986 [0,0,0,0,0,0|2,1,0]=3 13 B6R1.2 C1=CN=C([NH]1)N AK-25424 [0,0,0,0,0,0|3,0,0]=3 14 B6R1.2 C1=CSC(=N1)C AK-25844 [0,0,0,0,0,0|1,1,0]=2 15 B6R1.2 C1=CSC=C1I AK-73044 [0,0,0,0,0,0|3,0,0]=3 16 B6R1.2 C1=NC(=CS1)Br AK-23755 [0,0,0,0,0,0|3,0,0]=3 17 B6R1.2 C1=NC=C(I)[NH]1 AH-10005 [0,0,0,0,0,0|3,0,0]=3 18 B6R1.2 C1=N[NH]C(=C1)N AK-23634 [0,0,0,0,0,0|3,0,0]=3 19 B6R1.2 C1=N[NH]C(=N1)Br AK-40012 [0,0,0,0,0,0|4,0,0]=4 20 B6R1.2 C1=N[NH]C=C1Br AK-23744 [0,0,0,0,0,0|4,0,0]=4 21 B6R1.2 C1=N[NH]C=C1C AK-46480 [0,0,0,0,0,0|3,0,0]=3 22 B6R1.2 C1=N[NH]C=C1Cl AK-28843 [0,0,0,0,0,0|4,0,0]=4 23 B6R1.2 C1=N[NH]C=C1I AK-39171 [0,0,0,0,0,0|4,0,0]=4 24 B6R1.2 C1=N[NH]C=C1N AK-23740 [0,0,0,0,0,0|4,0,0]=4 25 B6R1.2 C1=N[N](C=N1)C AK-51663 [0,0,0,0,0,0|3,0,0]=3 26 B6R1.2 CC1=CN=CS1 AK-40769 [0,0,0,0,0,0|1,1,0]=2 27 B6R1.2 CC1=CNC=C1 AK-59534 [0,0,0,0,0,0|2,0,0]=2 28 B6R1.2 CC1=CNN=N1 AK-38543 [0,0,0,0,0,0|3,0,0]=3 29 B6R1.2 CC1=NC=CN1 AK-76902 [0,0,0,0,0,0|2,0,0]=2 30 B6R1.2 CC1=NN=CO1 AK-50870 [0,0,0,0,0,0|2,0,0]=2 31 B6R1.2 CC1=NNC=N1 AK-46139 [0,0,0,0,0,0|3,0,0]=3 32 B6R1.2 CC1=NON=C1 AK-49621 [0,0,0,0,0,0|3,0,0]=3 33 B6R1.2 CN1C=CN=N1 AK-60587 [0,0,0,0,0,0|3,0,0]=3 34 B6R1.2 CN1C=NN=C1 AK321144 [0,0,0,0,0,0|4,0,0]=4 35 B6R1.2 ClC1=CC=NN1 AK132931 [0,0,0,0,0,0|3,0,0]=3 36 B6R1.2 ClC1=CSC=N1 AK-23769 [0,0,0,0,0,0|3,0,0]=3 37 B6R1.2 ClC1=NC=CN1 AK-60874 [0,0,0,0,0,0|3,0,0]=3 38 B6R1.2 ClC1=NC=NS1 AK-25892 [0,0,0,0,0,0|3,1,0]=4 39 B6R1.2 ClC1=NNC=C1 AK-64806 [0,0,0,0,0,0|3,0,0]=3 40 B6R1.2 ClC1=NNC=N1 AK-36097 [0,0,0,0,0,0|4,0,0]=4 41 B6R1.2 FC1=NC=CN1 AK143276 [0,0,0,0,0,0|3,0,0]=3 42 B6R1.2 IC1=CC=CS1 AK-77599 [0,0,0,0,0,0|1,1,0]=2 43 B6R1.2 IC1=CON=C1 AK-24636 [0,0,0,0,0,0|4,0,0]=4 44 B6R1.2 IC1=NN=CS1 AK109229 [0,0,0,0,0,0|3,1,0]=4 45 B6R1.2 IC1=NNC=C1 AK-31094 [0,0,0,0,0,0|3,0,0]=3 46 B6R1.2 N1=CC=C([NH]1)N AK-36860 [0,0,0,0,0,0|3,0,0]=3 47 B6R1.2 NC1=CC=NO1 AK-46390 [0,0,0,0,0,0|2,0,0]=2 48 B6R1.2 NC1=CN=CN1 AK110462 [0,0,0,0,0,0|3,0,0]=3 49 B6R1.2 NC1=CN=NS1 AK-68792 [0,0,0,0,0,0|3,1,0]=4 50 B6R1.2 NC1=CNN=C1 AK-24373 [0,0,0,0,0,0|4,0,0]=4 51 B6R1.2 NC1=CON=C1 AK-24626 [0,0,0,0,0,0|4,0,0]=4 52 B6R1.2 NC1=CON=C1 AK-24638 [0,0,0,0,0,0|4,0,0]=4 53 B6R1.2 NC1=CSC=N1 AK142332 [0,0,0,0,0,0|3,0,0]=3 54 B6R1.2 NC1=NC=CN1 AK112047 [0,0,0,0,0,0|3,0,0]=3 55 B6R1.2 NC1=NC=CO1 AK-25998 [0,0,0,0,0,0|2,0,0]=2 56 B6R1.2 NC1=NC=CS1 AK-44151 [0,0,0,0,0,0|2,1,0]=3 57 B6R1.2 NC1=NC=CS1 AK112070 [0,0,0,0,0,0|2,1,0]=3 58 B6R1.2 NC1=NC=NS1 AK136080 [0,0,0,0,0,0|3,1,0]=4 59 B6R1.2 NC1=NN=CS1 AK-31974 [0,0,0,0,0,0|3,1,0]=4 60 B6R1.2 NC1=NOC=C1 AK-25502 [0,0,0,0,0,0|3,0,0]=3 61 B6R1.2 NC1CC=CC1 AK-44792 [0,0,0,0,0,0|2,0,2]=4 62 B6R1.2 NN1C=CC=C1 AK-88561 [0,0,0,0,0,0|3,0,0]=3 63 B6R1.2 NN1C=CN=C1 AK187814 [0,0,0,0,0,0|4,0,0]=4 64 B6R1.2 NN1N=CC=C1 AK-31764 [0,0,0,0,0,0|3,0,0]=3 65 B6R1.2 O=C1CC=NN1 AK-90809 [0,0,0,0,0,0|3,0,1]=4 66 B6R1.2 O=C1NC=CN1 AK-45238 [0,0,0,0,0,0|3,0,0]=3 67 B6R1.2 O=C1NNC=C1 AK-58738 [0,0,0,0,0,0|3,0,0]=3 68 B6R1.2 O=C1NSC=C1 AK101140 [0,0,0,0,0,0|3,0,0]=3 69 B6R1.2 O=C1OCC=C1 AK163254 [0,0,0,0,0,0|1,0,1]=2 70 B6R1.2 O=C1OCCN1 AK-94050 [0,0,0,0,0,0|2,0,2]=4 71 B6R1.2 O=C1OCCO1 AK101077 [0,0,0,0,0,0|2,0,2]=4 72 B6R1.2 OC1=NC=CS1 AK-29553 [0,0,0,0,0,0|2,1,0]=3 73 B6R1.2 OC1=NNC=C1 AK-96005 [0,0,0,0,0,0|3,0,0]=3 74 B6R1.2 ON1N=CC=C1 AK115932 [0,0,0,0,0,0|3,0,0]=3 75 B6R1.2 S1C(=CN=C1)N AK-28900 [0,0,0,0,0,0|2,1,0]=3 76 B6R1.2 S1C(=NC=N1)N AK-54916 [0,0,0,0,0,0|3,1,0]=4 77 B6R1.2 S=C1NC=CN1 AK134899 [0,0,0,0,0,0|3,0,0]=3 78 B6R1.2 SC1=NNC=N1 AK308496 [0,0,0,0,0,0|4,0,0]=4 79 B5R1.1 N1C=CN=C1 AK-68419 [1,0,0,0,0,0|2,0,0]=3 80 B5R1.1 N1CC=CC1 AK-35945 [1,0,0,0,0,0|1,0,2]=4 81 B5R1.1 N1N=CC=C1 AK-80047 [1,0,0,0,0,0|2,0,0]=3 82 B5R1.1 N1N=CN=C1 AK111541 [1,0,0,0,0,0|3,0,0]=4 83 B5R1.1 N1N=NC=C1 AK-82525 [1,0,0,0,0,0|3,0,0]=4 84 B5R1.1 [N-]1N=CN=C1 AK161856 [1,0,0,0,0,0|3,0,0]=4 85 B7R1.1 BrCC1=CSC=N1 AK158849 [0,1,0,0,0,0|2,0,0]=3 86 B7R1.1 BrCC1=NC=CN1 AK142906 [0,1,0,0,0,0|2,0,0]=3 87 B7R1.1 C(#N)C1=NC=CS1 AK-24120 [0,1,0,0,0,0|1,1,1]=4 88 B7R1.1 C1=C(C#N)C=CS1 AK-50641 [0,1,0,0,0,0|2,0,1]=4 89 B7R1.1 C1=C(N=CS1)C=O AK-23930 [0,1,0,0,0,0|2,0,1]=4 90 B7R1.1 C1=C(SC=C1)C#N AK-46367 [0,1,0,0,0,0|0,1,1]=3 91 B7R1.1 C1=C(SC=C1)C=O AK-26482 [0,1,0,0,0,0|0,1,1]=3 92 B7R1.1 C1=C(SC=N1)CO AK-23792 [0,1,0,0,0,0|1,1,0]=3 93 B7R1.1 C1=C([NH]C=N1)C=O AK-41612 [0,1,0,0,0,0|2,0,1]=4 94 B7R1.1 C1=CC=N[N]1CO AK-21910 [0,1,0,0,0,0|2,0,0]=3 95 B7R1.1 C1=CN=C(C=O)[NH]1 AK-49186 [0,1,0,0,0,0|2,0,1]=4 96 B7R1.1 C1=CSC(=N1)C=O AK-46309 [0,1,0,0,0,0|1,1,1]=4 97 B7R1.1 C1=NC(=CS1)C#N AK-24730 [0,1,0,0,0,0|2,0,1]=4 98 B7R1.1 C1=NC(=CS1)CO AK-23714 [0,1,0,0,0,0|2,0,0]=3 99 B7R1.1 C1=N[NH]C=C1CO AK-29936 [0,1,0,0,0,0|3,0,0]=4 100 B7R1.1 C=CC1=NC=CS1 AK251551 [0,1,0,0,0,0|1,1,1]=4 101 B7R1.1 CCC1=CC=CS1 AK-76635 [0,1,0,0,0,0|0,1,0]=2 102 B7R1.1 CCC1=NC=CN1 AK161825 [0,1,0,0,0,0|2,0,0]=3 103 B7R1.1 CCC1=NN=CO1 AK-50871 [0,1,0,0,0,0|2,0,0]=3 104 B7R1.1 CCC1=NNC=N1 AK124531 [0,1,0,0,0,0|3,0,0]=4 105 B7R1.1 CCN1C=CN=C1 AK-47598 [0,1,0,0,0,0|3,0,0]=4 106 B7R1.1 CCN1N=CC=C1 AK-39994 [0,1,0,0,0,0|2,0,0]=3 107 B7R1.1 CNC1=NC=CS1 AK-32595 [0,1,0,0,0,0|1,1,0]=3 108 B7R1.1 COC1=CC=CS1 AK-60885 [0,1,0,0,0,0|0,1,0]=2 109 B7R1.1 COC1=CNN=C1 AK200730 [0,1,0,0,0,0|3,0,0]=4 110 B7R1.1 COC1=CSC=C1 AK-60944 [0,1,0,0,0,0|2,0,0]=3 111 B7R1.1 COC1=NC=CS1 AK-46322 [0,1,0,0,0,0|1,1,0]=3 112 B7R1.1 ClCC1=CN=CO1 AK143331 [0,1,0,0,0,0|1,0,0]=2 113 B7R1.1 ClCC1=CN=CS1 AK-94779 [0,1,0,0,0,0|1,1,0]=3 114 B7R1.1 ClCC1=NC=CO1 AK-33839 [0,1,0,0,0,0|1,0,0]=2 115 B7R1.1 ClCC1=NOC=N1 AK-87005 [0,1,0,0,0,0|3,0,0]=4 116 B7R1.1 N#CC1=CNC=C1 AK-46080 [0,1,0,0,0,0|2,0,1]=4 117 B7R1.1 N#CC1=CNC=N1 AK-35688 [0,1,0,0,0,0|2,0,1]=4 118 B7R1.1 N#CC1=NC=CN1 AK-81383 [0,1,0,0,0,0|2,0,1]=4 119 B7R1.1 NCC1=CC=CN1 AK-39872 [0,1,0,0,0,0|1,0,0]=2 120 B7R1.1 NCC1=CC=CS1 AK-46394 [0,1,0,0,0,0|0,1,0]=2 121 B7R1.1 NCC1=CN=CO1 AK-25086 [0,1,0,0,0,0|1,0,0]=2 122 B7R1.1 NCC1=CN=CS1 AK-24530 [0,1,0,0,0,0|1,1,0]=3 123 B7R1.1 NCC1=CNC=C1 AK-67638 [0,1,0,0,0,0|2,0,0]=3 124 B7R1.1 NCC1=CNC=N1 AK-33143 [0,1,0,0,0,0|2,0,0]=3 125 B7R1.1 NCC1=CSC=C1 AK-28306 [0,1,0,0,0,0|2,0,0]=3 126 B7R1.1 NCC1=CSC=C1 AK-48092 [0,1,0,0,0,0|2,0,0]=3 127 B7R1.1 NCC1=NC=CO1 AK-48266 [0,1,0,0,0,0|1,0,0]=2 128 B7R1.1 NCC1=NC=CS1 AK-26128 [0,1,0,0,0,0|1,1,0]=3 129 B7R1.1 NCC1=NC=CS1 AK-95677 [0,1,0,0,0,0|1,1,0]=3 130 B7R1.1 NCC1=NNC=C1 AK-25875 [0,1,0,0,0,0|2,0,0]=3 131 B7R1.1 NCC1=NNC=N1 AK199214 [0,1,0,0,0,0|3,0,0]=4 132 B7R1.1 NNC1=NC=CS1 AK162847 [0,1,0,0,0,0|2,1,0]=4 133 B7R1.1 O=CC1=CC=CN1 AK-25235 [0,1,0,0,0,0|1,0,1]=3 134 B7R1.1 O=CC1=CN=CS1 AK-39378 [0,1,0,0,0,0|1,1,1]=4 135 B7R1.1 O=CC1=CNC=C1 AK-36182 [0,1,0,0,0,0|2,0,1]=4 136 B7R1.1 O=CC1=CSC=C1 AK-42964 [0,1,0,0,0,0|2,0,1]=4 137 B7R1.1 OCC1=CC=CS1 AK-93468 [0,1,0,0,0,0|0,1,0]=2 138 B7R1.1 OCC1=CC=NO1 AK-68490 [0,1,0,0,0,0|1,0,0]=2 139 B7R1.1 OCC1=CN=CO1 AK-25343 [0,1,0,0,0,0|1,0,0]=2 140 B7R1.1 OCC1=COC=C1 AK-46116 [0,1,0,0,0,0|2,0,0]=3 141 B7R1.1 OCC1=CSC=C1 AK-36199 [0,1,0,0,0,0|2,0,0]=3 142 B7R1.1 OCC1=NC=CN1 AK-44944 [0,1,0,0,0,0|2,0,0]=3 143 B7R1.1 OCC1=NC=CO1 AK-29821 [0,1,0,0,0,0|1,0,0]=2 144 B7R1.1 OCC1=NC=NN1 AK173322 [0,1,0,0,0,0|3,0,0]=4 145 B7R1.1 OCC1=NOC=C1 AK-25087 [0,1,0,0,0,0|2,0,0]=3 146 B7R1.1 OCC1CC=CC1 AK-48070 [0,1,0,0,0,0|1,0,2]=4 147 B7R1.1 OCN1N=CN=C1 AK132964 [0,1,0,0,0,0|3,0,0]=4 148 B7R1.1 [NH]1C=CC(=N1)C#N AK-30564 [0,1,0,0,0,0|2,0,1]=4 149 B7R1.1 [NH]1C=CC(=N1)C=O AK-25900 [0,1,0,0,0,0|2,0,1]=4 150 B7R1.2 BrC1=CN=C(N)S1 AK-26181 [0,1,0,0,0,0|2,1,0]=4 151 B7R1.2 BrC1=CSC(=C1)C AK-28080 [0,1,0,0,0,0|0,1,0]=2 152 B7R1.2 BrC1=NC=C(S1)C AK-23612 [0,1,0,0,0,0|1,1,0]=3 153 B7R1.2 BrC1=NC=C(S1)Cl AK-30271 [0,1,0,0,0,0|2,1,0]=4 154 B7R1.2 BrC1=NN=C(S1)C AK-29359 [0,1,0,0,0,0|2,1,0]=4 155 B7R1.2 C1=C(Br)C=N[N]1C AK-26682 [0,1,0,0,0,0|2,0,0]=3 156 B7R1.2 C1=C(Br)SC(=C1)Br AK-46301 [0,1,0,0,0,0|1,1,0]=3 157 B7R1.2 C1=C(C)N=C(N)S1 AK-33524 [0,1,0,0,0,0|2,0,0]=3 158 B7R1.2 C1=C(C)SC(=N1)C AK-46393 [0,1,0,0,0,0|1,1,0]=3 159 B7R1.2 C1=C(C)[NH]N=C1C AK-50030 [0,1,0,0,0,0|2,0,0]=3 160 B7R1.2 C1=C(N=C(Br)S1)Br AK-27022 [0,1,0,0,0,0|2,1,0]=4 161 B7R1.2 C1=C(N=C(C)S1)C AK-35570 [0,1,0,0,0,0|1,1,0]=3 162 B7R1.2 C1=C(SC(=C1)Br)C AK-36324 [0,1,0,0,0,0|0,1,0]=2 163 B7R1.2 C1=C(SC(=N1)Br)Br AK-35104 [0,1,0,0,0,0|2,1,0]=4 164 B7R1.2 C1=C(SC(=N1)N)C AK-26992 [0,1,0,0,0,0|1,1,0]=3 165 B7R1.2 C1=C([NH]C(=N1)C)C AK-36899 [0,1,0,0,0,0|2,0,0]=3 166 B7R1.2 C1=C[N](N=C1C)C AK-47383 [0,1,0,0,0,0|2,0,0]=3 167 B7R1.2 C1=C[N](N=C1N)C AK-25543 [0,1,0,0,0,0|2,0,0]=3 168 B7R1.2 C1=N[N](C=C1C)C AK-47523 [0,1,0,0,0,0|2,0,0]=3 169 B7R1.2 CC1=CC(Br)=NN1 AK-49142 [0,1,0,0,0,0|2,0,0]=3 170 B7R1.2 CC1=CC(Br)=NO1 AK-34396 [0,1,0,0,0,0|1,0,0]=2 171 B7R1.2 CC1=CC(I)=NN1 AK100667 [0,1,0,0,0,0|2,0,0]=3 172 B7R1.2 CC1=CC(N)=NO1 AK-32792 [0,1,0,0,0,0|1,0,0]=2 173 B7R1.2 CC1=CN=C(Cl)S1 AK-34726 [0,1,0,0,0,0|1,1,0]=3 174 B7R1.2 CC1=CNC(I)=N1 AK113414 [0,1,0,0,0,0|2,0,0]=3 175 B7R1.2 CC1=CSC(Br)=N1 AK-23607 [0,1,0,0,0,0|2,0,0]=3 176 B7R1.2 CC1=NC=C(I)[NH]1 AK-32021 [0,1,0,0,0,0|2,0,0]=3 177 B7R1.2 CC1=NN=C(Br)O1 AK154074 [0,1,0,0,0,0|2,0,0]=3 178 B7R1.2 CC1=NN=C(C)N1 AK-32124 [0,1,0,0,0,0|3,0,0]=4 179 B7R1.2 CC1=NN=C(C)O1 AK-54981 [0,1,0,0,0,0|2,0,0]=3 180 B7R1.2 CC1=NN=C(S)S1 AK307153 [0,1,0,0,0,0|2,1,0]=4 181 B7R1.2 CC1=NNC(Br)=C1 AK100666 [0,1,0,0,0,0|2,0,0]=3 182 B7R1.2 CC1=NNC(Cl)=C1 AK-80228 [0,1,0,0,0,0|2,0,0]=3 183 B7R1.2 CC1=NNC(N)=C1 AK111310 [0,1,0,0,0,0|2,0,0]=3 184 B7R1.2 CC1=NOC(N)=C1 AK-33327 [0,1,0,0,0,0|2,0,0]=3 185 B7R1.2 CC1=NSC(Br)=N1 AK-90235 [0,1,0,0,0,0|3,0,0]=4 186 B7R1.2 CC1=NSC(N)=N1 AK-33703 [0,1,0,0,0,0|3,0,0]=4 187 B7R1.2 CN1C=C(I)N=C1 AK-29464 [0,1,0,0,0,0|3,0,0]=4 188 B7R1.2 CN1C=CC(I)=N1 AK-86815 [0,1,0,0,0,0|2,0,0]=3 189 B7R1.2 CN1N=C(Br)C=C1 AK-28794 [0,1,0,0,0,0|2,0,0]=3 190 B7R1.2 CN1N=C(Br)N=C1 AK-88726 [0,1,0,0,0,0|3,0,0]=4 191 B7R1.2 CN1N=CC(I)=C1 AK-54604 [0,1,0,0,0,0|2,0,0]=3 192 B7R1.2 CN1N=NC(Br)=C1 AK-57913 [0,1,0,0,0,0|3,0,0]=4 193 B7R1.2 C[N+]1=CN(C)C=C1 AK113093 [0,1,0,0,0,0|3,0,0]=4 194 B7R1.2 C[N+]1=CN(N)C=N1 AK127265 [0,1,0,0,0,0|3,0,0]=4 195 B7R1.2 C[N+]1=CN(N)C=N1 AK340879 [0,1,0,0,0,0|3,0,0]=4 196 B7R1.2 C[N]1C=C(C=N1)N AK-30314 [0,1,0,0,0,0|2,0,0]=3 197 B7R1.2 ClC1=CC=C(Cl)S1 AK112943 [0,1,0,0,0,0|1,1,0]=3 198 B7R1.2 ClC1=CC=C(I)S1 AK-82112 [0,1,0,0,0,0|1,1,0]=3 199 B7R1.2 ClC1=CSC(Br)=N1 AK128270 [0,1,0,0,0,0|2,1,0]=4 200 B7R1.2 ClC1=C[N](N=C1)C AK-49050 [0,1,0,0,0,0|2,0,0]=3 201 B7R1.2 ClC1=NC(=CS1)Cl AK-23570 [0,1,0,0,0,0|2,1,0]=4 202 B7R1.2 ClC1=NC(=NS1)C AK-24499 [0,1,0,0,0,0|3,0,0]=4 203 B7R1.2 NC1=CC(Br)=NN1 AK-48862 [0,1,0,0,0,0|3,0,0]=4 204 B7R1.2 NC1=CC(Cl)=NN1 AK100252 [0,1,0,0,0,0|3,0,0]=4 205 B7R1.2 NC1=CN(C)C=N1 AK-77405 [0,1,0,0,0,0|3,0,0]=4 206 B7R1.2 NC1=CN(C)N=C1 AK-40078 [0,1,0,0,0,0|2,0,0]=3 207 B7R1.2 NC1=CN=C(C)S1 AK-85981 [0,1,0,0,0,0|1,1,0]=3 208 B7R1.2 NC1=CSC(Br)=N1 AK-54917 [0,1,0,0,0,0|2,1,0]=4 209 B7R1.2 NC1=CSC(C)=N1 AK165023 [0,1,0,0,0,0|1,1,0]=3 210 B7R1.2 NC1=NC(=CS1)Br AK-24535 [0,1,0,0,0,0|2,1,0]=4 211 B7R1.2 NC1=NC(N)=CS1 AK-68884 [0,1,0,0,0,0|2,1,0]=4 212 B7R1.2 NC1=NC=C(Br)S1 AK-44331 [0,1,0,0,0,0|2,1,0]=4 213 B7R1.2 NC1=NC=C(F)S1 AK-37762 [0,1,0,0,0,0|2,1,0]=4 214 B7R1.2 NC1=NN(C)C=N1 AK105396 [0,1,0,0,0,0|3,0,0]=4 215 B7R1.2 NC1=NN=C(C)O1 AK-35499 [0,1,0,0,0,0|2,0,0]=3 216 B7R1.2 NC1=NNC(C)=C1 AK-29128 [0,1,0,0,0,0|2,0,0]=3 217 B7R1.2 NC1=NOC(C)=N1 AK-94935 [0,1,0,0,0,0|2,0,0]=3 218 B7R1.2 O=C1C=C(NN1)N AK-40891 [0,1,0,0,0,0|3,0,0]=4 219 B7R1.2 O=C1CC(C)=NN1 AK-28727 [0,1,0,0,0,0|2,0,1]=4 220 B7R1.2 O=C1CCC(O1)=O AK139125 [0,1,0,0,0,0|1,0,2]=4 221 B7R1.2 O=C1COC(C)=C1 AK142223 [0,1,0,0,0,0|0,0,1]=2 222 B7R1.2 O=C1N=C(N)OC1 AK-80637 [0,1,0,0,0,0|2,0,1]=4 223 B7R1.2 O=C1NC(CO1)=O AK-80133 [0,1,0,0,0,0|2,0,1]=4 224 B7R1.2 O=C1NN(C)C=C1 AK-67583 [0,1,0,0,0,0|2,0,0]=3 225 B7R1.2 O=C1NNC(C)=C1 AK-25972 [0,1,0,0,0,0|2,0,0]=3 226 B7R1.2 O=C1NOC(C)=C1 AK158281 [0,1,0,0,0,0|1,0,0]=2 227 B7R1.2 O=C1OC(C)=CC1 AK601784 [0,1,0,0,0,0|0,0,1]=2 228 B7R1.2 O=C1OC(C)CC1 AK117314 [0,1,0,0,0,0|0,0,3]=4 229 B7R1.2 O=C1OC[C@@H](C)O1 AK109386 [0,1,0,0,0,0|1,0,2]=4 230 B7R1.2 O=C1OC[C@H](C)O1 AK109427 [0,1,0,0,0,0|1,0,2]=4 231 B7R1.2 OC1=CN(C)N=C1 AK311462 [0,1,0,0,0,0|2,0,0]=3 232 B7R1.2 OC1=NC(Br)=CS1 AK112691 [0,1,0,0,0,0|2,1,0]=4 233 B7R1.2 OC1=NSC(Cl)=C1 AK-80655 [0,1,0,0,0,0|2,1,0]=4 234 B7R1.4 BrC1=C(I)SC=C1 AK-81714 [0,1,0,0,0,0|1,1,0]=3 235 B7R1.4 BrC1=CC=N[N]1C AK-34841 [0,1,0,0,0,0|2,0,0]=3 236 B7R1.4 BrC1=CSC=C1I AK-82208 [0,1,0,0,0,0|3,0,0]=4 237 B7R1.4 C1=C(Br)C(=CS1)Br AK-46302 [0,1,0,0,0,0|3,0,0]=4 238 B7R1.4 C1=C(N)[N](C)N=C1 AK-23556 [0,1,0,0,0,0|2,0,0]=3 239 B7R1.4 C1=CC(=C(S1)Br)C AK-46588 [0,1,0,0,0,0|1,1,0]=3 240 B7R1.4 C1=CSC(=C1Br)Br AK-25755 [0,1,0,0,0,0|1,1,0]=3 241 B7R1.4 C1=N[NH]C(=C1Br)N AK-23671 [0,1,0,0,0,0|3,0,0]=4 242 B7R1.4 CC1=C(Br)C=NO1 AK112982 [0,1,0,0,0,0|1,0,0]=2 243 B7R1.4 CC1=C(Br)NC=N1 AK-92496 [0,1,0,0,0,0|2,0,0]=3 244 B7R1.4 CC1=C(Br)NN=N1 AK109316 [0,1,0,0,0,0|3,0,0]=4 245 B7R1.4 CC1=C(Br)SC=N1 AK-40873 [0,1,0,0,0,0|2,0,0]=3 246 B7R1.4 CC1=C(C)N=CN1 AK157739 [0,1,0,0,0,0|2,0,0]=3 247 B7R1.4 CC1=C(C)N=CS1 AK-46395 [0,1,0,0,0,0|1,1,0]=3 248 B7R1.4 CC1=C(I)NC=N1 AK128524 [0,1,0,0,0,0|2,0,0]=3 249 B7R1.4 CC1=CC=NN1C AK-36127 [0,1,0,0,0,0|2,0,0]=3 250 B7R1.4 CC1=CNN=C1C AK111434 [0,1,0,0,0,0|2,0,0]=3 251 B7R1.4 CC1=CNN=C1C AK117330 [0,1,0,0,0,0|2,0,0]=3 252 B7R1.4 CC1=CSC=C1Br AK-34597 [0,1,0,0,0,0|2,0,0]=3 253 B7R1.4 CC1=CSC=C1C AK-45919 [0,1,0,0,0,0|2,0,0]=3 254 B7R1.4 CC1=NNC=C1Br AK-24746 [0,1,0,0,0,0|2,0,0]=3 255 B7R1.4 CC1=NNC=C1I AK-73045 [0,1,0,0,0,0|2,0,0]=3 256 B7R1.4 CN1C(I)=CN=C1 AK-36203 [0,1,0,0,0,0|3,0,0]=4 257 B7R1.4 CN1C=CN=C1C AK-60401 [0,1,0,0,0,0|2,0,0]=3 258 B7R1.4 CN1C=CN=C1Cl AK-79282 [0,1,0,0,0,0|3,0,0]=4 259 B7R1.4 CN1C=CN=C1I AK-34893 [0,1,0,0,0,0|3,0,0]=4 260 B7R1.4 CN1C=NC=C1Br AK-32615 [0,1,0,0,0,0|3,0,0]=4 261 B7R1.4 CN1N=CN=C1Br AK-49045 [0,1,0,0,0,0|3,0,0]=4 262 B7R1.4 ClC1=C(Br)C=CS1 AK-25922 [0,1,0,0,0,0|1,1,0]=3 263 B7R1.4 ClC1=C(Br)SC=C1 AK-93781 [0,1,0,0,0,0|1,1,0]=3 264 B7R1.4 IC1=C(I)N=CN1 AK-28835 [0,1,0,0,0,0|3,0,0]=4 265 B7R1.4 IC1=CC=N[N]1C AK-34754 [0,1,0,0,0,0|2,0,0]=3 266 B7R1.4 NC1=CN=CN1C AK128338 [0,1,0,0,0,0|3,0,0]=4 267 B7R1.4 NC1=CNN=C1Br AK145116 [0,1,0,0,0,0|3,0,0]=4 268 B7R1.4 NC1=CNN=C1Cl AK120335 [0,1,0,0,0,0|3,0,0]=4 269 B7R1.4 NC1=CNN=C1Cl AK144425 [0,1,0,0,0,0|3,0,0]=4 270 B7R1.4 NC1=NC=CN1C AK-36047 [0,1,0,0,0,0|3,0,0]=4 271 B7R1.4 NC1=NC=CN1C AK125047 [0,1,0,0,0,0|3,0,0]=4 272 B7R1.4 O=C1C(O)=CCC1 AK-43709 [0,1,0,0,0,0|2,0,1]=4 273 B7R1.4 O=C1CC=NN1C AK128438 [0,1,0,0,0,0|2,0,1]=4 274 B7R1.4 O=C1N(C)NC=C1 AK113037 [0,1,0,0,0,0|2,0,0]=3 275 B7R1.4 O=C1N(C)SC=C1 AK682465 [0,1,0,0,0,0|1,1,0]=3 276 B7R1.4 O=C1NC=CN1C AK317267 [0,1,0,0,0,0|3,0,0]=4 277 B7R1.4 OC1=CC=N[N]1C AK-39760 [0,1,0,0,0,0|2,0,0]=3 278 B7R1.14 O=S1(C=CCO1)=O AK-41034 [0,1,0,0,0,0|2,0,1]=4 279 B5R0.1 NOCC(C)=C AK550273 [0,0,1,0,0,0|3,0,0]=4 280 B5R0.3 C=CC(NC)=O AK115593 [0,0,1,0,0,0|2,0,1]=4 281 B5R0.3 NOC(C=C)C AK550274 [0,0,1,0,0,0|1,0,1]=3 282 B7R1.3 BrC1=CC=NC=C1 AK-47562 [0,0,0,0,0,1|2,0,0]=3 283 B7R1.3 BrC1=NC=CC=N1 AK-41165 [0,0,0,0,0,1|2,0,0]=3 284 B7R1.3 BrC1=NC=CN=C1 AK-21911 [0,0,0,0,0,1|2,0,0]=3 285 B7R1.3 C1=C(C)C=NC=N1 AK-30562 [0,0,0,0,0,1|2,0,0]=3 286 B7R1.3 C1=C(C)C=NN=C1 AK-30760 [0,0,0,0,0,1|2,0,0]=3 287 B7R1.3 C1=C(C=NC=N1)N AK-23967 [0,0,0,0,0,1|3,0,0]=4 288 B7R1.3 C1=C(C=NN=C1)N AK-23741 [0,0,0,0,0,1|3,0,0]=4 289 B7R1.3 C1=C(Cl)C=CN=C1 AK-50078 [0,0,0,0,0,1|2,0,0]=3 290 B7R1.3 C1=CC=NN=C1N AK-21777 [0,0,0,0,0,1|2,0,0]=3 291 B7R1.3 C1=CC=NN=C1N AK-23968 [0,0,0,0,0,1|2,0,0]=3 292 B7R1.3 C1=CN=CN=C1N AK-24798 [0,0,0,0,0,1|2,0,0]=3 293 B7R1.3 C1=NC=NC=C1Br AK-46790 [0,0,0,0,0,1|3,0,0]=4 294 B7R1.3 CC1=CN=CC=N1 AK-88672 [0,0,0,0,0,1|1,0,0]=2 295 B7R1.3 CC1=NC=NC=C1 AK-34763 [0,0,0,0,0,1|1,0,0]=2 296 B7R1.3 ClC1=CC=NN=C1 AK-76794 [0,0,0,0,0,1|3,0,0]=4 297 B7R1.3 ClC1=CN=CN=C1 AK-26627 [0,0,0,0,0,1|3,0,0]=4 298 B7R1.3 ClC1=NC=CC=N1 AK-80229 [0,0,0,0,0,1|2,0,0]=3 299 B7R1.3 ClC1=NC=NC=C1 AK-87917 [0,0,0,0,0,1|2,0,0]=3 300 B7R1.3 FC1=CC=NC=C1 AK-61793 [0,0,0,0,0,1|2,0,0]=3 301 B7R1.3 FC1=CN=CN=C1 AK-30119 [0,0,0,0,0,1|3,0,0]=4 302 B7R1.3 IC1=CC=CC=C1 AK-88660 [0,0,0,0,0,1|2,0,0]=3 303 B7R1.3 IC1=CC=CN=C1 AK-46371 [0,0,0,0,0,1|2,0,0]=3 304 B7R1.3 IC1=CC=NC=C1 AK-47904 [0,0,0,0,0,1|2,0,0]=3 305 B7R1.3 IC1=CN=CC=N1 AK-23638 [0,0,0,0,0,1|2,0,0]=3 306 B7R1.3 IC1=CN=CN=C1 AK-24277 [0,0,0,0,0,1|3,0,0]=4 307 B7R1.3 IC1=NC=CC=C1 AK-43060 [0,0,0,0,0,1|2,0,0]=3 308 B7R1.3 IC1=NC=CC=N1 AK-51554 [0,0,0,0,0,1|2,0,0]=3 309 B7R1.3 N1=CN=C(C=C1)O AK-25153 [0,0,0,0,0,1|2,0,0]=3 310 B7R1.3 NC1=CC=NN=C1 AK170584 [0,0,0,0,0,1|3,0,0]=4 311 B7R1.3 NC1=NC=CC=N1 AK-72832 [0,0,0,0,0,1|2,0,0]=3 312 B7R1.3 NC1=NC=CN=C1 AK-24896 [0,0,0,0,0,1|2,0,0]=3 313 B7R1.3 NC1=NC=CN=N1 AK-39292 [0,0,0,0,0,1|3,0,0]=4 314 B7R1.3 O=C1C=CC=NN1 AK-29318 [0,0,0,0,0,1|2,0,0]=3 315 B7R1.3 O=C1C=COC=C1 AK110934 [0,0,0,0,0,1|2,0,0]=3 316 B7R1.3 O=C1COCC=C1 AK120133 [0,0,0,0,0,1|1,0,1]=3 317 B7R1.3 O=C1NC=CN=C1 AK-24500 [0,0,0,0,0,1|2,0,0]=3 318 B7R1.3 O=C1NC=NC=C1 Ak-75843 [0,0,0,0,0,1|2,0,0]=3 319 B7R1.3 O=C1NCCC=C1 AK110027 [0,0,0,0,0,1|2,0,1]=4 320 B7R1.3 OC1=CC=CN=C1 AK-44238 [0,0,0,0,0,1|2,0,0]=3 321 B7R1.3 OC1=CC=NC=C1 AK110406 [0,0,0,0,0,1|2,0,0]=3 322 B7R1.3 OC1=CN=CN=C1 AK-28351 [0,0,0,0,0,1|3,0,0]=4 323 B7R1.3 OC1=CN=NC=C1 AK-28962 [0,0,0,0,0,1|3,0,0]=4 324 B7R1.3 OC1=NC=CC=N1 AK-41674 [0,0,0,0,0,1|2,0,0]=3 325 B7R1.3 OC1=NC=CC=N1 AK-49044 [0,0,0,0,0,1|2,0,0]=3 326 B7R1.3 [S-]C1=CC=CC=C1 AK316593 [0,0,0,0,0,1|2,0,0]=3 327 B4R0.1 C=CC([O-])=O AK160082 [1,0,1,0,0,0|1,0,1]=4 328 B4R0.2 NOCC=C AK208821 [1,0,1,0,0,0|1,0,1]=4 329 B6R0.1 O=C(OC)\C=C\I AK-49986 [0,1,1,0,0,0|1,0,1]=4 330 B6R0.2 CC(\C=C(N)\C)=O AK-39642 [0,1,1,0,0,0|0,0,2]=4 331 B6R0.2 C\C(C)=C\C(O)=O AK-65194 [0,1,1,0,0,0|1,0,1]=4 332 B6R0.3 C\C=C(O)\C(O)=O AK149482 [0,1,1,0,0,0|1,0,1]=4 333 B6R0.6 C\C=C\CCCO AK-46431 [0,1,1,0,0,0|0,0,2]=4 334 B8R1.2 BrCC1=CC=CN=C1 AK-44682 [0,1,0,0,0,1|1,0,0]=3 335 B8R1.2 BrCC1=CC=NC=C1 AK-40271 [0,1,0,0,0,1|1,0,0]=3 336 B8R1.2 BrCC1=CN=CN=C1 AK150782 [0,1,0,0,0,1|2,0,0]=4 337 B8R1.2 BrCC1=NC=CC=C1 AK-78919 [0,1,0,0,0,1|1,0,0]=3 338 B8R1.2 BrCC1=NC=CN=C1 AK143784 [0,1,0,0,0,1|1,0,0]=3 339 B8R1.2 BrCC1=NC=NC=C1 AK109329 [0,1,0,0,0,1|1,0,0]=3 340 B8R1.2 BrCC1=NN=CC=C1 AK-77169 [0,1,0,0,0,1|1,0,0]=3 341 B8R1.2 C#CC1=CC=CN=C1 AK-39524 [0,1,0,0,0,1|1,0,1]=4 342 B8R1.2 C#CC1=CC=NC=C1 AK-32285 [0,1,0,0,0,1|1,0,1]=4 343 B8R1.2 C#CC1=CC=NC=C1 AK-61719 [0,1,0,0,0,1|1,0,1]=4 344 B8R1.2 C#CC1=NC=CN=C1 AK185335 [0,1,0,0,0,1|1,0,1]=4 345 B8R1.2 C(#C)C1=NC=CC=N1 AK-34927 [0,1,0,0,0,1|1,0,1]=4 346 B8R1.2 C1=C(N=CC=C1)C#C AK-39840 [0,1,0,0,0,1|1,0,1]=4 347 B8R1.2 C1=C(N=CC=N1)CN AK-23965 [0,1,0,0,0,1|1,0,0]=3 348 B8R1.2 C1=CN=CC=C1OC AK-54547 [0,1,0,0,0,1|1,0,0]=3 349 B8R1.2 C1=NC=C(N=C1)CO AK-45812 [0,1,0,0,0,1|1,0,0]=3 350 B8R1.2 CC[N+]1=CC=CC=C1 AK607939 [0,1,0,0,0,1|2,0,0]=4 351 B8R1.2 CNC1=CC=CN=C1 AK-72893 [0,1,0,0,0,1|1,0,0]=3 352 B8R1.2 CNC1=CC=NN=C1 AK545083 [0,1,0,0,0,1|2,0,0]=4 353 B8R1.2 CNC1=NC=CC=N1 AK-27708 [0,1,0,0,0,1|1,0,0]=3 354 B8R1.2 COC1=CC=CN=C1 AK-76565 [0,1,0,0,0,1|1,0,0]=3 355 B8R1.2 COC1=CC=CN=N1 AK-28954 [0,1,0,0,0,1|1,0,0]=3 356 B8R1.2 COC1=CN=CN=C1 AK-31068 [0,1,0,0,0,1|2,0,0]=4 357 B8R1.2 CSC1=NC=CN=C1 AK-41535 [0,1,0,0,0,1|1,0,0]=3 358 B8R1.2 CSC1=NC=CN=N1 AK-48101 [0,1,0,0,0,1|2,0,0]=4 359 B8R1.2 ClCC1=NC=CC=N1 AK-29240 [0,1,0,0,0,1|1,0,0]=3 360 B8R1.2 ICC1=CC=CC=C1 AK-54444 [0,1,0,0,0,1|1,0,0]=3 361 B8R1.2 N#CC1=CC=CC=C1 AK-49389 [0,1,0,0,0,1|1,0,1]=4 362 B8R1.2 N#CC1=CC=NC=C1 AK-76782 [0,1,0,0,0,1|1,0,1]=4 363 B8R1.2 N#CC1=CN=CC=C1 AK-76753 [0,1,0,0,0,1|1,0,1]=4 364 B8R1.2 N#CC1=NC=CC=C1 AK-76752 [0,1,0,0,0,1|1,0,1]=4 365 B8R1.2 N#CC1=NC=CN=C1 AK-47995 [0,1,0,0,0,1|1,0,1]=4 366 B8R1.2 N1=C(N=CC=C1)CN AK-23656 [0,1,0,0,0,1|1,0,0]=3 367 B8R1.2 N1=CN=C(C=C1)C=O AK-23925 [0,1,0,0,0,1|1,0,1]=4 368 B8R1.2 NCC1=CC=NC=C1 AK-25866 [0,1,0,0,0,1|1,0,0]=3 369 B8R1.2 NCC1=CC=NC=C1 AK-50006 [0,1,0,0,0,1|1,0,0]=3 370 B8R1.2 NCC1=CC=NN=C1 AK-23789 [0,1,0,0,0,1|2,0,0]=4 371 B8R1.2 NCC1=CN=CN=C1 AK164227 [0,1,0,0,0,1|2,0,0]=4 372 B8R1.2 NCC1=NC=CC=N1 AK-73144 [0,1,0,0,0,1|1,0,0]=3 373 B8R1.2 NCC1=NC=CN=C1 AK-50813 [0,1,0,0,0,1|1,0,0]=3 374 B8R1.2 NCC1=NC=NC=C1 AK-23966 [0,1,0,0,0,1|1,0,0]=3 375 B8R1.2 NNC1=CC=CC=C1 AK114548 [0,1,0,0,0,1|2,0,0]=4 376 B8R1.2 NNC1=CC=CN=C1 AK-40869 [0,1,0,0,0,1|2,0,0]=4 377 B8R1.2 NNC1=CC=CN=C1 AK-75799 [0,1,0,0,0,1|2,0,0]=4 378 B8R1.2 NNC1=CC=CN=N1 AK110987 [0,1,0,0,0,1|2,0,0]=4 379 B8R1.2 NNC1=CC=NC=C1 AK-51295 [0,1,0,0,0,1|2,0,0]=4 380 B8R1.2 NNC1=NC=CC=C1 AK-26026 [0,1,0,0,0,1|2,0,0]=4 381 B8R1.2 NNC1=NC=CC=N1 AK-81374 [0,1,0,0,0,1|2,0,0]=4 382 B8R1.2 NNC1=NC=CN=C1 AK-44383 [0,1,0,0,0,1|2,0,0]=4 383 B8R1.2 NOC1=CC=CC=C1 AK-77703 [0,1,0,0,0,1|2,0,0]=4 384 B8R1.2 O=CC1=CC=NC=C1 AK-50192 [0,1,0,0,0,1|1,0,1]=4 385 B8R1.2 OCC1=CC=CN=C1 AK-46173 [0,1,0,0,0,1|1,0,0]=3 386 B8R1.2 OCC1=CC=NC=C1 AK-44706 [0,1,0,0,0,1|1,0,0]=3 387 B8R1.2 OCC1=CC=NC=C1 AK175384 [0,1,0,0,0,1|1,0,0]=3 388 B8R1.2 OCC1=CN=CN=C1 AK-32022 [0,1,0,0,0,1|2,0,0]=4 389 B8R1.2 OCC1=NC=CC=C1 AK-53905 [0,1,0,0,0,1|1,0,0]=3 390 B8R1.2 OCC1=NC=CC=N1 AK-25156 [0,1,0,0,0,1|1,0,0]=3 391 B8R1.2 OCC1=NC=NC=C1 AK-31889 [0,1,0,0,0,1|1,0,0]=3 392 B8R1.2 ONC1=CC=CC=C1 AK139965 [0,1,0,0,0,1|2,0,0]=4 393 B8R1.3 BrC1=CC=C(Br)C=C1 AK-77031 [0,1,0,0,0,1|2,0,0]=4 394 B8R1.3 BrC1=CC=C(N=C1)S AK-40609 [0,1,0,0,0,1|2,0,0]=4 395 B8R1.3 BrC1=CC=C(N=N1)C AK-39367 [0,1,0,0,0,1|1,0,0]=3 396 B8R1.3 BrC1=CC=C(N=N1)Cl AK-23689 [0,1,0,0,0,1|2,0,0]=4 397 B8R1.3 BrC1=CN=C(Br)C=C1 AK-26195 [0,1,0,0,0,1|2,0,0]=4 398 B8R1.3 BrC1=CN=C(N=C1)C AK-25093 [0,1,0,0,0,1|1,0,0]=3 399 B8R1.3 BrC1=CN=C(N=C1)I AK-21832 [0,1,0,0,0,1|2,0,0]=4 400 B8R1.3 BrC1=NC=C(C=N1)Br AK-21946 [0,1,0,0,0,1|2,0,0]=4 401 B8R1.3 BrC1=NC=C(C=N1)C AK-27837 [0,1,0,0,0,1|2,0,0]=4 402 B8R1.3 BrC1=NC=C(N=C1)Br AK-25629 [0,1,0,0,0,1|2,0,0]=4 403 B8R1.3 C1=C(Br)C=CC(=N1)Cl AK-26091 [0,1,0,0,0,1|2,0,0]=4 404 B8R1.3 C1=C(Br)C=NC(=N1)Cl AK-21948 [0,1,0,0,0,1|2,0,0]=4 405 B8R1.3 C1=C(Br)N=CC(=C1)C AK-25828 [0,1,0,0,0,1|1,0,0]=3 406 B8R1.3 C1=C(C=NC(=C1)Br)F AK-25950 [0,1,0,0,0,1|2,0,0]=4 407 B8R1.3 C1=C(C=NC(=C1)C)N AK-26763 [0,1,0,0,0,1|1,0,0]=3 408 B8R1.3 C1=C(C=NC(=C1)Cl)O AK-25948 [0,1,0,0,0,1|2,0,0]=4 409 B8R1.3 C1=C(C=NC(=C1)N)I AK-27741 [0,1,0,0,0,1|2,0,0]=4 410 B8R1.3 C1=C(C=NC(=N1)N)Br AK-17301 [0,1,0,0,0,1|2,0,0]=4 411 B8R1.3 C1=C(C=NC(=N1)N)Cl AK-23599 [0,1,0,0,0,1|2,0,0]=4 412 B8R1.3 C1=C(I)C=CC(=N1)Br AK-29482 [0,1,0,0,0,1|2,0,0]=4 413 B8R1.3 C1=C(I)N=CC(=C1)Br AK-27955 [0,1,0,0,0,1|2,0,0]=4 414 B8R1.3 C1=C(N=CC(=N1)Br)N AK-21826 [0,1,0,0,0,1|2,0,0]=4 415 B8R1.3 C1=C(N=NC(=C1)Cl)N AK-17001 [0,1,0,0,0,1|2,0,0]=4 416 B8R1.3 C1=C(O)C=NC(=C1)C AK-27703 [0,1,0,0,0,1|1,0,0]=3 417 B8R1.3 C1=CC(=CC=C1Br)I AK-46448 [0,1,0,0,0,1|2,0,0]=4 418 B8R1.3 C1=CC(=CC=C1I)I AK-72778 [0,1,0,0,0,1|2,0,0]=4 419 B8R1.3 C1=CC(=NC=C1Br)C AK-25801 [0,1,0,0,0,1|1,0,0]=3 420 B8R1.3 C1=CC(=NC=C1Br)N AK-26973 [0,1,0,0,0,1|2,0,0]=4 421 B8R1.3 C1=CC(=NC=C1Cl)Cl AK-33531 [0,1,0,0,0,1|2,0,0]=4 422 B8R1.3 C1=CC(=NN=C1Br)Br AK-23668 [0,1,0,0,0,1|2,0,0]=4 423 B8R1.3 C1=CC(=NN=C1F)F AK-24229 [0,1,0,0,0,1|2,0,0]=4 424 B8R1.3 C1=NC(=CC=C1F)N AK-25604 [0,1,0,0,0,1|2,0,0]=4 425 B8R1.3 C1=NC(=CC=C1I)Cl AK-24891 [0,1,0,0,0,1|2,0,0]=4 426 B8R1.3 C1=NC(=CN=C1C)C AK-33017 [0,1,0,0,0,1|1,0,0]=3 427 B8R1.3 C1=NC(=CN=C1Cl)Cl AK-25558 [0,1,0,0,0,1|2,0,0]=4 428 B8R1.3 C1=NC(=NC=C1N)C AK-24688 [0,1,0,0,0,1|1,0,0]=3 429 B8R1.3 CC1=CC=C(Cl)N=N1 AK-28484 [0,1,0,0,0,1|1,0,0]=3 430 B8R1.3 CC1=CC=C(I)C=C1 AK-95999 [0,1,0,0,0,1|1,0,0]=3 431 B8R1.3 CC1=CN=C(Cl)C=C1 AK-33822 [0,1,0,0,0,1|1,0,0]=3 432 B8R1.3 CC1=CN=C(Cl)N=C1 AK-24031 [0,1,0,0,0,1|2,0,0]=4 433 B8R1.3 CC1=CNC(C=N1)=O AK-28246 [0,1,0,0,0,1|1,0,0]=3 434 B8R1.3 CC1=NC=C(C=N1)O AK-28497 [0,1,0,0,0,1|1,0,0]=3 435 B8R1.3 CC1=NC=C(Cl)C=C1 AK-36211 [0,1,0,0,0,1|1,0,0]=3 436 B8R1.3 CC1=NC=C(F)C=C1 AK-25749 [0,1,0,0,0,1|1,0,0]=3 437 B8R1.3 CC1=NC=C(F)C=N1 AK-68162 [0,1,0,0,0,1|1,0,0]=3 438 B8R1.3 CC1=NC=C(I)C=C1 AK-36128 [0,1,0,0,0,1|1,0,0]=3 439 B8R1.3 CC1=NN=C(C)C=C1 AK130999 [0,1,0,0,0,1|1,0,0]=3 440 B8R1.3 ClC1=CC=C(Br)C=C1 AK-98696 [0,1,0,0,0,1|2,0,0]=4 441 B8R1.3 ClC1=CC=C(N=N1)I AK-24487 [0,1,0,0,0,1|2,0,0]=4 442 B8R1.3 ClC1=CN=C(Br)C=C1 AK-25938 [0,1,0,0,0,1|2,0,0]=4 443 B8R1.3 ClC1=CN=C(Br)C=N1 AK-28493 [0,1,0,0,0,1|2,0,0]=4 444 B8R1.3 ClC1=CN=C(Br)N=C1 AK-33035 [0,1,0,0,0,1|2,0,0]=4 445 B8R1.3 ClC1=CN=C(C=C1)I AK-24954 [0,1,0,0,0,1|2,0,0]=4 446 B8R1.3 ClC1=CN=C(C=N1)O AK-26414 [0,1,0,0,0,1|2,0,0]=4 447 B8R1.3 ClC1=CN=C(N=C1)I AK-23637 [0,1,0,0,0,1|2,0,0]=4 448 B8R1.3 ClC1=NC=C(C=C1)F AK-25752 [0,1,0,0,0,1|2,0,0]=4 449 B8R1.3 ClC1=NC=C(C=N1)Cl AK-25027 [0,1,0,0,0,1|2,0,0]=4 450 B8R1.3 ClC1=NC=C(C=N1)I AK-23624 [0,1,0,0,0,1|2,0,0]=4 451 B8R1.3 ClC1=NC=C(C=N1)O AK-26032 [0,1,0,0,0,1|2,0,0]=4 452 B8R1.3 ClC1=NC=C(N)C=C1 AK-27135 [0,1,0,0,0,1|2,0,0]=4 453 B8R1.3 ClC1=NC=C(N=C1)C AK-28274 [0,1,0,0,0,1|1,0,0]=3 454 B8R1.3 FC1=CC=C(I)C=C1 AK-48799 [0,1,0,0,0,1|2,0,0]=4 455 B8R1.3 FC1=CN=C(Br)C=N1 AK151504 [0,1,0,0,0,1|2,0,0]=4 456 B8R1.3 FC1=CN=C(Cl)N=C1 AK-32237 [0,1,0,0,0,1|2,0,0]=4 457 B8R1.3 FC1=NC=C(Br)C=N1 AK-39340 [0,1,0,0,0,1|2,0,0]=4 458 B8R1.3 FC1=NC=C(C=C1)C AK-25638 [0,1,0,0,0,1|1,0,0]=3 459 B8R1.3 IC1=CC=C(Cl)C=C1 AK-50754 [0,1,0,0,0,1|2,0,0]=4 460 B8R1.3 IC1=CN=C(Br)C=N1 AK-24107 [0,1,0,0,0,1|2,0,0]=4 461 B8R1.3 IC1=CN=C(Br)N=C1 AK313592 [0,1,0,0,0,1|2,0,0]=4 462 B8R1.3 IC1=CN=C(F)C=C1 AK-28883 [0,1,0,0,0,1|2,0,0]=4 463 B8R1.3 IC1=CN=C(N)N=C1 AK-23600 [0,1,0,0,0,1|2,0,0]=4 464 B8R1.3 IC1=CNC(=O)C=C1 AK-25382 [0,1,0,0,0,1|2,0,0]=4 465 B8R1.3 IC1=NC=C(F)C=C1 AK-28852 [0,1,0,0,0,1|2,0,0]=4 466 B8R1.3 IC1=NN=C(I)C=C1 AK-27798 [0,1,0,0,0,1|2,0,0]=4 467 B8R1.3 NC1=CC=C(Br)N=C1 AK-25387 [0,1,0,0,0,1|2,0,0]=4 468 B8R1.3 NC1=CC=C(Cl)C=N1 AK-32799 [0,1,0,0,0,1|2,0,0]=4 469 B8R1.3 NC1=CC=C(I)C=C1 AK-49877 [0,1,0,0,0,1|2,0,0]=4 470 B8R1.3 NC1=CC=C(N)N=N1 AK-24097 [0,1,0,0,0,1|2,0,0]=4 471 B8R1.3 NC1=CC=C(N=N1)Br AK-28414 [0,1,0,0,0,1|2,0,0]=4 472 B8R1.3 NC1=CC=C(O)C=N1 AK-40830 [0,1,0,0,0,1|2,0,0]=4 473 B8R1.3 NC1=CN=C(C=C1)F AK-25524 [0,1,0,0,0,1|2,0,0]=4 474 B8R1.3 NC1=CN=C(N)C=C1 AK-64957 [0,1,0,0,0,1|2,0,0]=4 475 B8R1.3 NC1=CN=C(N=C1)Br AK-24577 [0,1,0,0,0,1|2,0,0]=4 476 B8R1.3 NC1=CN=C(N=C1)Cl AK-24171 [0,1,0,0,0,1|2,0,0]=4 477 B8R1.3 NC1=CN=C(O)C=C1 AK-48682 [0,1,0,0,0,1|2,0,0]=4 478 B8R1.3 NC1=NC=C(C)C=N1 AK-25022 [0,1,0,0,0,1|2,0,0]=4 479 B8R1.3 NC1=NC=C(C=N1)F AK-27248 [0,1,0,0,0,1|2,0,0]=4 480 B8R1.3 NC1=NC=C(N)N=C1 AK134920 [0,1,0,0,0,1|2,0,0]=4 481 B8R1.3 NC1=NC=C(N=C1)C AK-24580 [0,1,0,0,0,1|1,0,0]=3 482 B8R1.3 NC1=NC=C(N=C1)Cl AK-23598 [0,1,0,0,0,1|2,0,0]=4 483 B8R1.3 NC1=NC=C(N=C1)I AK-24227 [0,1,0,0,0,1|2,0,0]=4 484 B8R1.3 O=C1C=CC(=NN1)Cl AK-24013 [0,1,0,0,0,1|2,0,0]=4 485 B8R1.3 O=C1C=CC(Br)=NN1 AK125403 [0,1,0,0,0,1|2,0,0]=4 486 B8R1.3 O=C1C=CC(C)=NN1 AK-33134 [0,1,0,0,0,1|1,0,0]=3 487 B8R1.3 O=C1C=CC(Cl)=CN1 AK-30015 [0,1,0,0,0,1|2,0,0]=4 488 B8R1.3 O=C1C=CC(N)=CN1 AK-30033 [0,1,0,0,0,1|2,0,0]=4 489 B8R1.3 O=C1C=CC(N)=NN1 AK113263 [0,1,0,0,0,1|2,0,0]=4 490 B8R1.3 O=C1COC(O)C=C1 AK-82130 [0,1,0,0,0,1|1,0,1]=4 491 B8R1.3 O=C1N=CC(=CN1)Br AK-23809 [0,1,0,0,0,1|2,0,0]=4 492 B8R1.3 O=C1N=CC(I)=CN1 AK-24753 [0,1,0,0,0,1|2,0,0]=4 493 B8R1.3 O=C1NC=C(C=N1)Cl AK-23982 [0,1,0,0,0,1|2,0,0]=4 494 B8R1.3 OC1=CC=C(F)C=C1 AK-48196 [0,1,0,0,0,1|2,0,0]=4 495 B8R1.3 OC1=CC=C(F)N=C1 AK-23515 [0,1,0,0,0,1|2,0,0]=4 496 B8R1.3 OC1=CC=C(N)C=C1 AK109176 [0,1,0,0,0,1|2,0,0]=4 497 B8R1.3 OC1=CC=C(N)N=C1 AK-28002 [0,1,0,0,0,1|2,0,0]=4 498 B8R1.3 OC1=CN=C(Br)C=C1 AK-25164 [0,1,0,0,0,1|2,0,0]=4 499 B8R1.3 OC1=CN=C(Br)N=C1 AK-78619 [0,1,0,0,0,1|2,0,0]=4 500 B8R1.3 OC1=CNC(=O)C=C1 AK-86050 [0,1,0,0,0,1|2,0,0]=4 501 B8R1.3 OC1=NC=C(Br)C=C1 AK-28009 [0,1,0,0,0,1|2,0,0]=4 502 B8R1.3 OC1=NC=C(Br)N=C1 AK-23986 [0,1,0,0,0,1|2,0,0]=4 503 B8R1.3 OC1=NC=C(C)C=C1 AK-25236 [0,1,0,0,0,1|1,0,0]=3 504 B8R1.3 OC1=NN=C(O)C=C1 AK-86202 [0,1,0,0,0,1|2,0,0]=4 505 B8R1.4 BrC1=CC(Br)=CC=C1 AK-88659 [0,1,0,0,0,1|2,0,0]=4 506 B8R1.4 BrC1=CC=CC(N)=N1 AK-25560 [0,1,0,0,0,1|2,0,0]=4 507 B8R1.4 BrC1=CN=CC(Br)=C1 AK-22107 [0,1,0,0,0,1|2,0,0]=4 508 B8R1.4 BrC1=CN=CC(Br)=N1 AK-23575 [0,1,0,0,0,1|2,0,0]=4 509 B8R1.4 BrC1=NC(=NC=C1)C AK-31569 [0,1,0,0,0,1|1,0,0]=3 510 B8R1.4 BrC1=NC(I)=CC=C1 AK-49587 [0,1,0,0,0,1|2,0,0]=4 511 B8R1.4 BrC1=NC=CC(=C1)F AK-27032 [0,1,0,0,0,1|2,0,0]=4 512 B8R1.4 BrC1=NC=CC(=C1)I AK-28410 [0,1,0,0,0,1|2,0,0]=4 513 B8R1.4 BrC1=NC=CC(=C1)O AK-23606 [0,1,0,0,0,1|2,0,0]=4 514 B8R1.4 BrC1=NC=CC(=N1)Br AK-23565 [0,1,0,0,0,1|2,0,0]=4 515 B8R1.4 BrC1=NC=CC(=N1)C AK-25002 [0,1,0,0,0,1|1,0,0]=3 516 B8R1.4 BrC1=NC=NC(=C1)Br AK-23718 [0,1,0,0,0,1|2,0,0]=4 517 B8R1.4 BrC1=NC=NC(=C1)C AK-31752 [0,1,0,0,0,1|1,0,0]=3 518 B8R1.4 C1=C(Br)C=CN=C1C AK-23747 [0,1,0,0,0,1|1,0,0]=3 519 B8R1.4 C1=C(Br)C=CN=C1Cl AK-26300 [0,1,0,0,0,1|2,0,0]=4 520 B8R1.4 C1=C(C)C=CN=C1Cl AK-25858 [0,1,0,0,0,1|1,0,0]=3 521 B8R1.4 C1=C(C)N=CN=C1C AK-33461 [0,1,0,0,0,1|1,0,0]=3 522 B8R1.4 C1=C(C=C(C=N1)Cl)Br AK-26301 [0,1,0,0,0,1|2,0,0]=4 523 B8R1.4 C1=C(C=C(N=C1)Cl)Cl AK-25680 [0,1,0,0,0,1|2,0,0]=4 524 B8R1.4 C1=C(C=C(N=C1)N)Br AK-23588 [0,1,0,0,0,1|2,0,0]=4 525 B8R1.4 C1=C(C=CC=C1Br)I AK-48371 [0,1,0,0,0,1|2,0,0]=4 526 B8R1.4 C1=C(C=CN=C1Br)C AK-26025 [0,1,0,0,0,1|1,0,0]=3 527 B8R1.4 C1=C(C=CN=C1C)Cl AK-25859 [0,1,0,0,0,1|1,0,0]=3 528 B8R1.4 C1=C(C=NC=C1Cl)O AK-27757 [0,1,0,0,0,1|2,0,0]=4 529 B8R1.4 C1=C(C=NC=C1O)Br AK-22149 [0,1,0,0,0,1|2,0,0]=4 530 B8R1.4 C1=C(C=NC=C1O)C AK-25962 [0,1,0,0,0,1|1,0,0]=3 531 B8R1.4 C1=C(F)C=NC=C1Br AK-23525 [0,1,0,0,0,1|2,0,0]=4 532 B8R1.4 C1=C(I)C=CN=C1Cl AK-26930 [0,1,0,0,0,1|2,0,0]=4 533 B8R1.4 C1=C(N)C=CN=C1Br AK-26316 [0,1,0,0,0,1|2,0,0]=4 534 B8R1.4 C1=C(N=C(C=C1)Br)C AK-26079 [0,1,0,0,0,1|1,0,0]=3 535 B8R1.4 C1=C(N=C(C=C1)Br)Cl AK-35415 [0,1,0,0,0,1|2,0,0]=4 536 B8R1.4 C1=C(N=C(C=C1)Cl)N AK-27165 [0,1,0,0,0,1|2,0,0]=4 537 B8R1.4 C1=C(N=C(C=N1)Cl)N AK-25785 [0,1,0,0,0,1|2,0,0]=4 538 B8R1.4 C1=C(N=C(N=C1)C)Cl AK-21837 [0,1,0,0,0,1|1,0,0]=3 539 B8R1.4 C1=C(N=CC=C1Br)Br AK-26156 [0,1,0,0,0,1|2,0,0]=4 540 B8R1.4 C1=C(N=CC=C1N)Cl AK-27134 [0,1,0,0,0,1|2,0,0]=4 541 B8R1.4 C1=C(N=CC=C1N)N AK-29267 [0,1,0,0,0,1|2,0,0]=4 542 B8R1.4 C1=C(N=CN=C1N)Cl AK-23734 [0,1,0,0,0,1|2,0,0]=4 543 B8R1.4 C1=CC(=CC(=N1)Cl)F AK-26795 [0,1,0,0,0,1|2,0,0]=4 544 B8R1.4 C1=CC=C(F)N=C1Br AK-25117 [0,1,0,0,0,1|2,0,0]=4 545 B8R1.4 C1=CC=C(I)N=C1I AK-39176 [0,1,0,0,0,1|2,0,0]=4 546 B8R1.4 C1=CC=C(N=C1C)Cl AK-32452 [0,1,0,0,0,1|1,0,0]=3 547 B8R1.4 C1=CC=C(N=C1C)F AK-25943 [0,1,0,0,0,1|1,0,0]=3 548 B8R1.4 C1=CC=C(N=C1N)N AK-33251 [0,1,0,0,0,1|2,0,0]=4 549 B8R1.4 C1=CN=C(C=C1Br)F AK-23505 [0,1,0,0,0,1|2,0,0]=4 550 B8R1.4 C1=CN=C(C=C1Cl)Br AK-25618 [0,1,0,0,0,1|2,0,0]=4 551 B8R1.4 C1=CN=C(Cl)N=C1N AK-22071 [0,1,0,0,0,1|2,0,0]=4 552 B8R1.4 C1=CN=C(N=C1Cl)N AK-22070 [0,1,0,0,0,1|2,0,0]=4 553 B8R1.4 CC1=CC(=NC=N1)N AK-24843 [0,1,0,0,0,1|1,0,0]=3 554 B8R1.4 CC1=CC(C=CN1)=O AK-25534 [0,1,0,0,0,1|1,0,0]=3 555 B8R1.4 CC1=CC(Cl)=NC=N1 AK-23766 [0,1,0,0,0,1|1,0,0]=3 556 B8R1.4 CC1=CC(F)=NC=C1 AK-26002 [0,1,0,0,0,1|1,0,0]=3 557 B8R1.4 CC1=CC(I)=CC=C1 AK161788 [0,1,0,0,0,1|1,0,0]=3 558 B8R1.4 CC1=CC(NN=C1)=O AK-39857 [0,1,0,0,0,1|2,0,0]=4 559 B8R1.4 CC1=CC=CC(I)=N1 AK-35898 [0,1,0,0,0,1|1,0,0]=3 560 B8R1.4 CC1=CC=CC(N)=N1 AK-28918 [0,1,0,0,0,1|1,0,0]=3 561 B8R1.4 CC1=CN=CC(=N1)N AK-26646 [0,1,0,0,0,1|1,0,0]=3 562 B8R1.4 CC1=CN=CC(Br)=N1 AK-28293 [0,1,0,0,0,1|1,0,0]=3 563 B8R1.4 CC1=CN=CC(C)=N1 AK-73109 [0,1,0,0,0,1|1,0,0]=3 564 B8R1.4 CC1=CN=CC(Cl)=C1 AK-25547 [0,1,0,0,0,1|1,0,0]=3 565 B8R1.4 CC1=CN=CC(Cl)=N1 AK-28258 [0,1,0,0,0,1|1,0,0]=3 566 B8R1.4 CC1=CN=CC(F)=C1 AK-25942 [0,1,0,0,0,1|1,0,0]=3 567 B8R1.4 CC1=NC(C)=NC=C1 AK128381 [0,1,0,0,0,1|1,0,0]=3 568 B8R1.4 CC1=NC(Cl)=NC=C1 AK-25001 [0,1,0,0,0,1|1,0,0]=3 569 B8R1.4 CC1=NC(I)=NC=C1 AK-31571 [0,1,0,0,0,1|1,0,0]=3 570 B8R1.4 CC1=NC(O)=NC=C1 AK-24705 [0,1,0,0,0,1|1,0,0]=3 571 B8R1.4 CC1=NC=CC(I)=C1 AK-29006 [0,1,0,0,0,1|1,0,0]=3 572 B8R1.4 ClC1=CC(=CN=N1)Cl AK-33824 [0,1,0,0,0,1|2,0,0]=4 573 B8R1.4 ClC1=CC(=NC=C1)F AK-25827 [0,1,0,0,0,1|2,0,0]=4 574 B8R1.4 ClC1=CC(=NC=C1)O AK-25941 [0,1,0,0,0,1|2,0,0]=4 575 B8R1.4 ClC1=CC(I)=CN=C1 AK-44424 [0,1,0,0,0,1|2,0,0]=4 576 B8R1.4 ClC1=CC(N)=NC=C1 AK-23590 [0,1,0,0,0,1|2,0,0]=4 577 B8R1.4 ClC1=CC(NC=N1)=O AK-23859 [0,1,0,0,0,1|2,0,0]=4 578 B8R1.4 ClC1=CC=CC(Br)=C1 AK-77010 [0,1,0,0,0,1|2,0,0]=4 579 B8R1.4 ClC1=CN=CC(=N1)O AK-30468 [0,1,0,0,0,1|2,0,0]=4 580 B8R1.4 ClC1=CN=CC(Cl)=N1 AK-26010 [0,1,0,0,0,1|2,0,0]=4 581 B8R1.4 ClC1=NC(=CC=C1)F AK-32282 [0,1,0,0,0,1|2,0,0]=4 582 B8R1.4 ClC1=NC(Cl)=NC=C1 AK-22106 [0,1,0,0,0,1|2,0,0]=4 583 B8R1.4 ClC1=NC(I)=CC=C1 AK-45679 [0,1,0,0,0,1|2,0,0]=4 584 B8R1.4 ClC1=NC=CC(Br)=N1 AK-50462 [0,1,0,0,0,1|2,0,0]=4 585 B8R1.4 FC1=CC(=CN=C1)O AK-23521 [0,1,0,0,0,1|2,0,0]=4 586 B8R1.4 FC1=CC(I)=CN=C1 AK-50098 [0,1,0,0,0,1|2,0,0]=4 587 B8R1.4 FC1=CC=CC(Br)=C1 AK-88414 [0,1,0,0,0,1|2,0,0]=4 588 B8R1.4 FC1=CC=CC(N)=N1 AK-28849 [0,1,0,0,0,1|2,0,0]=4 589 B8R1.4 FC1=NC=CC(=C1)O AK-29007 [0,1,0,0,0,1|2,0,0]=4 590 B8R1.4 IC1=CC(=O)NC=C1 AK-30137 [0,1,0,0,0,1|2,0,0]=4 591 B8R1.4 IC1=CC(Cl)=CC=C1 AK-48399 [0,1,0,0,0,1|2,0,0]=4 592 B8R1.4 IC1=CC(Cl)=NC=N1 AK-28543 [0,1,0,0,0,1|2,0,0]=4 593 B8R1.4 IC1=CC(F)=NC=C1 AK-25615 [0,1,0,0,0,1|2,0,0]=4 594 B8R1.4 IC1=CC(I)=CC=C1 AK-76947 [0,1,0,0,0,1|2,0,0]=4 595 B8R1.4 IC1=CN=CC(Br)=C1 AK-23687 [0,1,0,0,0,1|2,0,0]=4 596 B8R1.4 IC1=NC(=CN=C1)I AK-23578 [0,1,0,0,0,1|2,0,0]=4 597 B8R1.4 IC1=NC(N)=NC=C1 AK-28214 [0,1,0,0,0,1|2,0,0]=4 598 B8R1.4 IC1=NC=CC(Cl)=C1 AK112901 [0,1,0,0,0,1|2,0,0]=4 599 B8R1.4 NC1=CC(=CN=C1)Cl AK-23676 [0,1,0,0,0,1|2,0,0]=4 600 B8R1.4 NC1=CC(=CN=C1)F AK-25590 [0,1,0,0,0,1|2,0,0]=4 601 B8R1.4 NC1=CC(=CN=C1)O AK-23677 [0,1,0,0,0,1|2,0,0]=4 602 B8R1.4 NC1=CC(=CN=C1)O AK-27981 [0,1,0,0,0,1|2,0,0]=4 603 B8R1.4 NC1=CC(=NC=C1)C AK-28926 [0,1,0,0,0,1|1,0,0]=3 604 B8R1.4 NC1=CC(=NC=C1)F AK-23726 [0,1,0,0,0,1|2,0,0]=4 605 B8R1.4 NC1=CC(=NC=C1)O AK-23727 [0,1,0,0,0,1|2,0,0]=4 606 B8R1.4 NC1=CC(Br)=CN=C1 AK-31985 [0,1,0,0,0,1|2,0,0]=4 607 B8R1.4 NC1=CC(Cl)=NN=C1 AK-49658 [0,1,0,0,0,1|2,0,0]=4 608 B8R1.4 NC1=CC(N)=CN=C1 AK-81907 [0,1,0,0,0,1|2,0,0]=4 609 B8R1.4 NC1=CC(N)=NC=N1 AK-29055 [0,1,0,0,0,1|2,0,0]=4 610 B8R1.4 NC1=CC=CC(I)=C1 AK-95998 [0,1,0,0,0,1|2,0,0]=4 611 B8R1.4 NC1=NC(=CN=C1)Br AK-26617 [0,1,0,0,0,1|2,0,0]=4 612 B8R1.4 NC1=NC(C)=NC=C1 AK-30457 [0,1,0,0,0,1|1,0,0]=3 613 B8R1.4 NC1=NC(F)=NC=C1 AK342333 [0,1,0,0,0,1|2,0,0]=4 614 B8R1.4 NC1=NC(I)=CC=C1 AK-44440 [0,1,0,0,0,1|2,0,0]=4 615 B8R1.4 NC1=NC(N)=CN=C1 AK-64864 [0,1,0,0,0,1|2,0,0]=4 616 B8R1.4 NC1=NC=CC(=C1)F AK-28128 [0,1,0,0,0,1|2,0,0]=4 617 B8R1.4 NC1=NC=CC(=C1)O AK-23591 [0,1,0,0,0,1|2,0,0]=4 618 B8R1.4 NC1=NC=CC(Br)=N1 AK-24498 [0,1,0,0,0,1|2,0,0]=4 619 B8R1.4 NC1=NC=NC(=C1)Br AK-24966 [0,1,0,0,0,1|2,0,0]=4 620 B8R1.4 NC1=NC=NC(=C1)I AK-25049 [0,1,0,0,0,1|2,0,0]=4 621 B8R1.4 O=C1C=C(Br)C=CN1 AK-75682 [0,1,0,0,0,1|2,0,0]=4 622 B8R1.4 O=C1C=C(Cl)C=NN1 AK-36026 [0,1,0,0,0,1|2,0,0]=4 623 B8R1.4 O=C1C=C(Cl)NC=C1 AK-26966 [0,1,0,0,0,1|2,0,0]=4 624 B8R1.4 O=C1C=C(F)C=CN1 AK-29630 [0,1,0,0,0,1|2,0,0]=4 625 B8R1.4 O=C1C=C(I)C=NN1 AK-39251 [0,1,0,0,0,1|2,0,0]=4 626 B8R1.4 O=C1C=C(N)C=NN1 AK-86654 [0,1,0,0,0,1|2,0,0]=4 627 B8R1.4 O=C1C=C(NC=N1)N AK-25319 [0,1,0,0,0,1|2,0,0]=4 628 B8R1.4 O=C1C=CC=C(C)N1 AK-29158 [0,1,0,0,0,1|1,0,0]=3 629 B8R1.4 O=C1C=CC=C(Cl)N1 AK-27743 [0,1,0,0,0,1|2,0,0]=4 630 B8R1.4 O=C1N=C(N)C=CN1 AK-77374 [0,1,0,0,0,1|2,0,0]=4 631 B8R1.4 O=C1N=C(N)NC=C1 AK-77015 [0,1,0,0,0,1|2,0,0]=4 632 B8R1.4 O=C1NC(=CC=C1)N AK-28666 [0,1,0,0,0,1|2,0,0]=4 633 B8R1.4 O=C1NC(=NC=C1)N AK-23592 [0,1,0,0,0,1|2,0,0]=4 634 B8R1.4 O=C1NC(C)=NC=C1 AK-46845 [0,1,0,0,0,1|1,0,0]=3 635 B8R1.4 O=C1NC(C=CN1)=O AK-86824 [0,1,0,0,0,1|2,0,0]=4 636 B8R1.4 O=C1NC=NC(C)=C1 AK-23779 [0,1,0,0,0,1|1,0,0]=3 637 B8R1.4 OC1=CC(Br)=NC=N1 AK-26788 [0,1,0,0,0,1|2,0,0]=4 638 B8R1.4 OC1=CC(O)=NC=N1 AK-44076 [0,1,0,0,0,1|2,0,0]=4 639 B8R1.4 OC1=CC=CC(Br)=N1 AK-34491 [0,1,0,0,0,1|2,0,0]=4 640 B8R1.4 OC1=CC=CC(I)=C1 AK-88502 [0,1,0,0,0,1|2,0,0]=4 641 B8R1.4 OC1=CC=NC(Cl)=N1 AK-54507 [0,1,0,0,0,1|2,0,0]=4 642 B8R1.4 OC1=CN=CC(O)=C1 AK-45937 [0,1,0,0,0,1|2,0,0]=4 643 B8R1.4 OC1=NC(=NC=C1)C AK-21836 [0,1,0,0,0,1|1,0,0]=3 644 B8R1.4 OC1=NC(=S)NC=C1 AK-41390 [0,1,0,0,0,1|2,0,0]=4 645 B8R1.4 OC1=NC(C)=CN=C1 AK-26663 [0,1,0,0,0,1|1,0,0]=3 646 B8R1.4 OC1=NC(Cl)=CC=C1 AK104457 [0,1,0,0,0,1|2,0,0]=4 647 B8R1.4 OC1=NC(F)=CC=C1 AK-29320 [0,1,0,0,0,1|2,0,0]=4 648 B8R1.4 OC1=NC=CC(Br)=C1 AK-23746 [0,1,0,0,0,1|2,0,0]=4 649 B8R1.4 OC1=NC=CC(C)=C1 AK-33151 [0,1,0,0,0,1|1,0,0]=3 650 B8R1.4 OC1=NC=CC(O)=C1 AK-44036 [0,1,0,0,0,1|2,0,0]=4 651 B8R1.4 S=C1N=C(C)C=CN1 AK-45762 [0,1,0,0,0,1|1,0,0]=3 652 B8R1.4 S=C1NC=NC(C)=C1 AK670613 [0,1,0,0,0,1|1,0,0]=3 653 B8R1.5 BrC1=C(Br)C=NC=C1 AK-41345 [0,1,0,0,0,1|2,0,0]=4 654 B8R1.5 BrC1=C(C=CN=C1)F AK-32932 [0,1,0,0,0,1|2,0,0]=4 655 B8R1.5 BrC1=C(C=CN=C1)O AK-18201 [0,1,0,0,0,1|2,0,0]=4 656 B8R1.5 BrC1=C(C=NC=C1)F AK-51330 [0,1,0,0,0,1|2,0,0]=4 657 B8R1.5 BrC1=C(C=NC=C1)O AK-23750 [0,1,0,0,0,1|2,0,0]=4 658 B8R1.5 BrC1=C(I)C=NC=C1 AK-26413 [0,1,0,0,0,1|2,0,0]=4 659 B8R1.5 BrC1=CC=CN=C1C AK-25896 [0,1,0,0,0,1|1,0,0]=3 660 B8R1.5 BrC1=CC=CN=C1N AK-25389 [0,1,0,0,0,1|2,0,0]=4 661 B8R1.5 BrC1=CN=CN=C1C AK-24717 [0,1,0,0,0,1|1,0,0]=3 662 B8R1.5 BrC1=NC=CC=C1Cl AK-26478 [0,1,0,0,0,1|2,0,0]=4 663 B8R1.5 BrC1=NC=CN=C1Br AK-26790 [0,1,0,0,0,1|2,0,0]=4 664 B8R1.5 C1=C(Br)C(=CC=N1)N AK-25388 [0,1,0,0,0,1|2,0,0]=4 665 B8R1.5 C1=C(C(=CN=C1)Br)Cl AK-25860 [0,1,0,0,0,1|2,0,0]=4 666 B8R1.5 C1=C(C(=NC=C1)Br)O AK-30294 [0,1,0,0,0,1|2,0,0]=4 667 B8R1.5 C1=C(C(=NC=C1)Cl)Cl AK-39485 [0,1,0,0,0,1|2,0,0]=4 668 B8R1.5 C1=C(C(=NC=C1)Cl)O AK-30100 [0,1,0,0,0,1|2,0,0]=4 669 B8R1.5 C1=C(C(=NC=C1)F)C AK-34277 [0,1,0,0,0,1|1,0,0]=3 670 B8R1.5 C1=CC=CC(=C1Cl)Br AK-47441 [0,1,0,0,0,1|2,0,0]=4 671 B8R1.5 C1=CC=CC(=C1N)I AK-46500 [0,1,0,0,0,1|2,0,0]=4 672 B8R1.5 C1=CC=C[N+](=C1Cl)C AK-44806 [0,1,0,0,0,1|2,0,0]=4 673 B8R1.5 C1=CC=NC(=C1Br)Br AK-32432 [0,1,0,0,0,1|2,0,0]=4 674 B8R1.5 C1=CC=NC(=C1Br)Cl AK-27263 [0,1,0,0,0,1|2,0,0]=4 675 B8R1.5 C1=CC=NC(=C1C)Cl AK-25527 [0,1,0,0,0,1|1,0,0]=3 676 B8R1.5 C1=CC=NC(=C1I)Cl AK-26334 [0,1,0,0,0,1|2,0,0]=4 677 B8R1.5 C1=CC=NC(=C1O)I AK-25929 [0,1,0,0,0,1|2,0,0]=4 678 B8R1.5 C1=CC=NC(=C1O)N AK-32377 [0,1,0,0,0,1|2,0,0]=4 679 B8R1.5 C1=CN=C(C(=C1)Cl)F AK-33350 [0,1,0,0,0,1|2,0,0]=4 680 B8R1.5 C1=CN=C(C(=C1)I)N AK-39162 [0,1,0,0,0,1|2,0,0]=4 681 B8R1.5 C1=CN=C(C(=N1)C)Cl AK-28587 [0,1,0,0,0,1|1,0,0]=3 682 B8R1.5 C1=CN=C(C(=N1)Cl)N AK-21993 [0,1,0,0,0,1|2,0,0]=4 683 B8R1.5 C1=CN=C(N)C(=N1)N AK-23932 [0,1,0,0,0,1|2,0,0]=4 684 B8R1.5 C1=CN=CC(=C1C)Br AK-25806 [0,1,0,0,0,1|1,0,0]=3 685 B8R1.5 C1=CN=CC(=C1C)N AK-27057 [0,1,0,0,0,1|1,0,0]=3 686 B8R1.5 C1=CN=CC(=C1N)I AK-25071 [0,1,0,0,0,1|2,0,0]=4 687 B8R1.5 C1=NC(=C(C=N1)N)C AK-28385 [0,1,0,0,0,1|1,0,0]=3 688 B8R1.5 C1=NC=CC(=C1N)I AK-28715 [0,1,0,0,0,1|2,0,0]=4 689 B8R1.5 CC1=C(Br)C=CN=C1 AK-50602 [0,1,0,0,0,1|1,0,0]=3 690 B8R1.5 CC1=C(Br)N=CC=N1 AK-31997 [0,1,0,0,0,1|1,0,0]=3 691 B8R1.5 CC1=C(Cl)C=CN=C1 AK-25556 [0,1,0,0,0,1|1,0,0]=3 692 B8R1.5 CC1=C(Cl)N=NC=C1 AK-36098 [0,1,0,0,0,1|2,0,0]=4 693 B8R1.5 CC1=C(F)C=CN=C1 AK-87891 [0,1,0,0,0,1|1,0,0]=3 694 B8R1.5 CC1=C(F)C=CN=C1 AK132194 [0,1,0,0,0,1|1,0,0]=3 695 B8R1.5 CC1=C(F)C=NC=C1 AK-28364 [0,1,0,0,0,1|1,0,0]=3 696 B8R1.5 CC1=C(I)C=NC=N1 AK-30883 [0,1,0,0,0,1|1,0,0]=3 697 B8R1.5 CC1=C(O)C=NC=C1 AK-29776 [0,1,0,0,0,1|1,0,0]=3 698 B8R1.5 CC1=CC=CC=C1I AK-77011 [0,1,0,0,0,1|1,0,0]=3 699 B8R1.5 CC1=CC=CN=C1Br AK-23603 [0,1,0,0,0,1|1,0,0]=3 700 B8R1.5 CC1=CC=CN=C1O AK-75629 [0,1,0,0,0,1|1,0,0]=3 701 B8R1.5 CC1=CC=CNC1=O AK-32442 [0,1,0,0,0,1|1,0,0]=3 702 B8R1.5 CC1=CC=NNC1=O AK-28464 [0,1,0,0,0,1|2,0,0]=4 703 B8R1.5 CC1=CN=CN=C1O AK-27176 [0,1,0,0,0,1|2,0,0]=4 704 B8R1.5 CC1=NC=CC=C1F AK-33505 [0,1,0,0,0,1|1,0,0]=3 705 B8R1.5 CN1C=CC=CC1=O AK-48448 [0,1,0,0,0,1|2,0,0]=4 706 B8R1.5 ClC1=C(Br)C=NC=C1 AK115133 [0,1,0,0,0,1|2,0,0]=4 707 B8R1.5 ClC1=C(C=CN=C1)Cl AK-27763 [0,1,0,0,0,1|2,0,0]=4 708 B8R1.5 ClC1=C(C=CN=C1)I AK-44916 [0,1,0,0,0,1|2,0,0]=4 709 B8R1.5 ClC1=C(C=CN=C1)O AK-23518 [0,1,0,0,0,1|2,0,0]=4 710 B8R1.5 ClC1=C(C=NC=C1)O AK-25094 [0,1,0,0,0,1|2,0,0]=4 711 B8R1.5 ClC1=C(I)C=CC=C1 AK-77000 [0,1,0,0,0,1|2,0,0]=4 712 B8R1.5 ClC1=C(N)C=CN=C1 AK-28558 [0,1,0,0,0,1|2,0,0]=4 713 B8R1.5 ClC1=C(N)C=NC=C1 AK-27797 [0,1,0,0,0,1|2,0,0]=4 714 B8R1.5 ClC1=CC=CN=C1I AK-36351 [0,1,0,0,0,1|2,0,0]=4 715 B8R1.5 ClC1=CC=NN=C1Cl AK-76963 [0,1,0,0,0,1|2,0,0]=4 716 B8R1.5 ClC1=CN=CC=C1Br AK-44084 [0,1,0,0,0,1|2,0,0]=4 717 B8R1.5 ClC1=CN=CN=C1O AK-28090 [0,1,0,0,0,1|2,0,0]=4 718 B8R1.5 ClC1=NC=CC=C1N AK-30071 [0,1,0,0,0,1|2,0,0]=4 719 B8R1.5 ClC1=NC=NC=C1Br AK-47095 [0,1,0,0,0,1|2,0,0]=4 720 B8R1.5 ClC1=NC=NC=C1C AK-25152 [0,1,0,0,0,1|2,0,0]=4 721 B8R1.5 ClC1=NC=NC=C1Cl AK-26228 [0,1,0,0,0,1|2,0,0]=4 722 B8R1.5 ClC1=NC=NC=C1I AK-24022 [0,1,0,0,0,1|2,0,0]=4 723 B8R1.5 FC1=C(Cl)C=CN=C1 AK-87634 [0,1,0,0,0,1|2,0,0]=4 724 B8R1.5 FC1=CC=CC=C1Br AK-88413 [0,1,0,0,0,1|2,0,0]=4 725 B8R1.5 FC1=CC=CN=C1O AK-28818 [0,1,0,0,0,1|2,0,0]=4 726 B8R1.5 FC1=CN=CN=C1Cl AK-68823 [0,1,0,0,0,1|2,0,0]=4 727 B8R1.5 FC1=NC=CC=C1Br AK-25851 [0,1,0,0,0,1|2,0,0]=4 728 B8R1.5 FC1=NC=CC=C1O AK-24443 [0,1,0,0,0,1|2,0,0]=4 729 B8R1.5 IC1=C(Br)C=NC=C1 AK-50221 [0,1,0,0,0,1|2,0,0]=4 730 B8R1.5 IC1=C(C=NC=C1)O AK-23780 [0,1,0,0,0,1|2,0,0]=4 731 B8R1.5 IC1=C(Cl)C=CN=C1 AK-30171 [0,1,0,0,0,1|2,0,0]=4 732 B8R1.5 IC1=C(F)C=NC=C1 AK-29008 [0,1,0,0,0,1|2,0,0]=4 733 B8R1.5 IC1=CC=CC=C1Br AK-48364 [0,1,0,0,0,1|2,0,0]=4 734 B8R1.5 IC1=CC=CC=C1I AK-88372 [0,1,0,0,0,1|2,0,0]=4 735 B8R1.5 IC1=CC=CN=C1Br AK-61736 [0,1,0,0,0,1|2,0,0]=4 736 B8R1.5 IC1=CC=CN=C1F AK-23632 [0,1,0,0,0,1|2,0,0]=4 737 B8R1.5 IC1=CN=CN=C1O AK-28049 [0,1,0,0,0,1|2,0,0]=4 738 B8R1.5 IC1=NC=CC=C1F AK140084 [0,1,0,0,0,1|2,0,0]=4 739 B8R1.5 NC1=C(C)C=NC=C1 AK-25562 [0,1,0,0,0,1|1,0,0]=3 740 B8R1.5 NC1=C(C=CN=C1)Br AK-25647 [0,1,0,0,0,1|2,0,0]=4 741 B8R1.5 NC1=C(C=NC=C1)F AK-25616 [0,1,0,0,0,1|2,0,0]=4 742 B8R1.5 NC1=C(C=NC=C1)O AK-23732 [0,1,0,0,0,1|2,0,0]=4 743 B8R1.5 NC1=CC=CN=C1Br AK-25918 [0,1,0,0,0,1|2,0,0]=4 744 B8R1.5 NC1=CC=CN=C1C AK-28661 [0,1,0,0,0,1|1,0,0]=3 745 B8R1.5 NC1=CC=CN=C1F AK-28850 [0,1,0,0,0,1|2,0,0]=4 746 B8R1.5 NC1=CC=CN=C1I AK-25585 [0,1,0,0,0,1|2,0,0]=4 747 B8R1.5 NC1=CC=NN=C1Cl AK-35644 [0,1,0,0,0,1|2,0,0]=4 748 B8R1.5 NC1=CN=CN=C1Br AK-24576 [0,1,0,0,0,1|2,0,0]=4 749 B8R1.5 NC1=CN=CN=C1Cl AK-30459 [0,1,0,0,0,1|2,0,0]=4 750 B8R1.5 NC1=CN=CN=C1I AK-39594 [0,1,0,0,0,1|2,0,0]=4 751 B8R1.5 NC1=NC=CC=C1Cl AK-23510 [0,1,0,0,0,1|2,0,0]=4 752 B8R1.5 NC1=NC=CC=C1F AK-23511 [0,1,0,0,0,1|2,0,0]=4 753 B8R1.5 NC1=NC=CN=C1Br AK-24228 [0,1,0,0,0,1|2,0,0]=4 754 B8R1.5 NC1=NC=CN=C1C AK-23583 [0,1,0,0,0,1|1,0,0]=3 755 B8R1.5 NC1=NC=CN=C1I AK-24254 [0,1,0,0,0,1|2,0,0]=4 756 B8R1.5 NC1=NC=NC=C1Br AK-23957 [0,1,0,0,0,1|2,0,0]=4 757 B8R1.5 NC1=NC=NC=C1C AK-27177 [0,1,0,0,0,1|2,0,0]=4 758 B8R1.5 NC1=NC=NC=C1Cl AK-24639 [0,1,0,0,0,1|2,0,0]=4 759 B8R1.5 NC1=NC=NC=C1F AK-31818 [0,1,0,0,0,1|2,0,0]=4 760 B8R1.5 NC1=NC=NC=C1I AK-24640 [0,1,0,0,0,1|2,0,0]=4 761 B8R1.5 NC1=NN=CC=C1N AK113555 [0,1,0,0,0,1|2,0,0]=4 762 B8R1.5 O=C1C(Br)=CC=CN1 AK-28771 [0,1,0,0,0,1|2,0,0]=4 763 B8R1.5 O=C1C(C)=NC=CN1 AK-24748 [0,1,0,0,0,1|1,0,0]=3 764 B8R1.5 O=C1C(N)=CC=CN1 AK-88485 [0,1,0,0,0,1|2,0,0]=4 765 B8R1.5 O=C1C(N)=NC=CN1 AK-23582 [0,1,0,0,0,1|2,0,0]=4 766 B8R1.5 O=C1C(O)=CC=CO1 AK-77266 [0,1,0,0,0,1|1,0,0]=3 767 B8R1.5 O=C1C(O)=COC=C1 AK109540 [0,1,0,0,0,1|1,0,0]=3 768 B8R1.5 O=C1N=CNC=C1O AK-28836 [0,1,0,0,0,1|2,0,0]=4 769 B8R1.5 O=C1NC=NC=C1Br AK-24126 [0,1,0,0,0,1|2,0,0]=4 770 B8R1.5 O=C1NC=NC=C1Br AK-31143 [0,1,0,0,0,1|2,0,0]=4 771 B8R1.5 O=C1NC=NC=C1F AK-23833 [0,1,0,0,0,1|2,0,0]=4 772 B8R1.5 O=C1NC=NC=C1O AK-76929 [0,1,0,0,0,1|2,0,0]=4 773 B8R1.5 O=C1NC=NC=C1O AK155886 [0,1,0,0,0,1|2,0,0]=4 774 B8R1.5 OC1=C(F)C=NC=C1 AK-23520 [0,1,0,0,0,1|2,0,0]=4 775 B8R1.5 OC1=C(I)C=NC=C1 AK-89378 [0,1,0,0,0,1|2,0,0]=4 776 B8R1.5 OC1=C(O)C=CN=C1 AK-45917 [0,1,0,0,0,1|2,0,0]=4 777 B8R1.5 OC1=C(O)N=CC=C1 AK-46383 [0,1,0,0,0,1|2,0,0]=4 778 B8R1.5 OC1=CC=CN=C1C AK-29777 [0,1,0,0,0,1|1,0,0]=3 779 B8R1.5 OC1=NC=CC=C1Cl AK-27733 [0,1,0,0,0,1|2,0,0]=4 780 B8R1.5 OC1=NN=CC=C1Cl AK-80631 [0,1,0,0,0,1|2,0,0]=4 781 B8R1.5 S=C1C(N)=CC=CN1 AK-79026 [0,1,0,0,0,1|2,0,0]=4 782 B8R1.1 BrC1=CC=C(S1)C#N AK-34110 [0,2,0,0,0,0|0,1,1]=4 783 B8R1.1 BrC1=NOC(=C1)CN AK-22028 [0,2,0,0,0,0|1,0,0]=3 784 B8R1.1 BrC1=NOC(C=O)=C1 AK-23688 [0,2,0,0,0,0|1,0,1]=4 785 B8R1.1 BrCC1=CN=C(Br)S1 AK-57693 [0,2,0,0,0,0|1,1,0]=4 786 B8R1.1 C1=C(C=N[N]1C)C=O AK-27714 [0,2,0,0,0,0|2,0,0]=4 787 B8R1.1 C1=C(N=C(S1)Br)CO AK-23616 [0,2,0,0,0,0|2,0,0]=4 788 B8R1.1 C1=C(N=C(S1)C)C=O AK-25586 [0,2,0,0,0,0|1,1,0]=4 789 B8R1.1 C1=C(N=C(S1)N)CCl AK-22008 [0,2,0,0,0,0|2,0,0]=4 790 B8R1.1 C1=C(SC(=C1)Br)C=O AK-35268 [0,2,0,0,0,0|0,1,1]=4 791 B8R1.1 C1=C(SC(=N1)Br)CO AK-23617 [0,2,0,0,0,0|1,1,0]=4 792 B8R1.1 CC1=CC(C=O)=NN1 AK-98775 [0,2,0,0,0,0|2,0,0]=4 793 B8R1.1 CC1=CC(CO)=NO1 AK-29211 [0,2,0,0,0,0|1,0,0]=3 794 B8R1.1 CC1=CC=C(S1)C=O AK-30245 [0,2,0,0,0,0|0,1,0]=3 795 B8R1.1 CC1=CN=C(CC)N1 AK161824 [0,2,0,0,0,0|2,0,0]=4 796 B8R1.1 CC1=CSC(C#C)=N1 AK150653 [0,2,0,0,0,0|2,0,0]=4 797 B8R1.1 CC1=CSC(CC)=N1 AK114234 [0,2,0,0,0,0|1,1,0]=4 798 B8R1.1 CC1=NC(C=O)=CO1 AK-68492 [0,2,0,0,0,0|1,0,0]=3 799 B8R1.1 CC1=NC(CBr)=CS1 AK174562 [0,2,0,0,0,0|1,1,0]=4 800 B8R1.1 CC1=NC(CCl)=NO1 AK-23662 [0,2,0,0,0,0|2,0,0]=4 801 B8R1.1 CC1=NC=C(CBr)S1 AK143697 [0,2,0,0,0,0|1,1,0]=4 802 B8R1.1 CC1=NOC(CBr)=C1 AK-86975 [0,2,0,0,0,0|1,0,0]=3 803 B8R1.1 CC1=NOC(CO)=C1 AK105202 [0,2,0,0,0,0|1,0,0]=3 804 B8R1.1 CCC1=CC=C(C)S1 AK103790 [0,2,0,0,0,0|0,1,0]=3 805 B8R1.1 CCN1N=CC(Br)=C1 AK-61918 [0,2,0,0,0,0|2,0,0]=4 806 B8R1.1 CN1C=C(C=N1)C#N AK-64440 [0,2,0,0,0,0|2,0,0]=4 807 B8R1.1 CN1C=C(CCl)N=C1 AK142814 [0,2,0,0,0,0|2,0,0]=4 808 B8R1.1 CN1C=C(CO)C=N1 AK-54525 [0,2,0,0,0,0|2,0,0]=4 809 B8R1.1 CN1C=CC(=N1)C#N AK-93991 [0,2,0,0,0,0|2,0,0]=4 810 B8R1.1 CN1N=CC(CBr)=C1 AK171077 [0,2,0,0,0,0|2,0,0]=4 811 B8R1.1 COC1=CC(=NO1)N AK-25770 [0,2,0,0,0,0|1,0,0]=3 812 B8R1.1 C[N]1C=CC(=N1)C=O AK-39769 [0,2,0,0,0,0|2,0,0]=4 813 B8R1.1 ClC1=CC=C(S1)C#C AK-59107 [0,2,0,0,0,0|0,1,1]=4 814 B8R1.1 ClC1=CSC(=C1)C#N AK-78287 [0,2,0,0,0,0|0,1,1]=4 815 B8R1.1 ClC1=NC=C(S1)CN AK-22135 [0,2,0,0,0,0|1,1,0]=4 816 B8R1.1 ClC1=NC=C(S1)CN AK-24052 [0,2,0,0,0,0|1,1,0]=4 817 B8R1.1 ClCC1=CC=C(Cl)S1 AK112065 [0,2,0,0,0,0|0,1,0]=3 818 B8R1.1 IC1=CNC(C=O)=C1 AK-76715 [0,2,0,0,0,0|1,0,1]=4 819 B8R1.1 IC1=CSC(C=O)=C1 AK-82084 [0,2,0,0,0,0|0,1,1]=4 820 B8R1.1 N#CC1=CC(Cl)=CN1 AK120657 [0,2,0,0,0,0|1,0,1]=4 821 B8R1.1 N#CC1=CC(N)=CS1 AK128560 [0,2,0,0,0,0|0,1,1]=4 822 B8R1.1 N#CC1=CC=C(Br)O1 AK145113 [0,2,0,0,0,0|0,0,1]=3 823 B8R1.1 N#CC1=CC=C(C)S1 AK128470 [0,2,0,0,0,0|0,1,0]=3 824 B8R1.1 N#CC1=CC=C(N)S1 AK128561 [0,2,0,0,0,0|0,1,1]=4 825 B8R1.1 N#CC1=CSC(C)=N1 AK-32043 [0,2,0,0,0,0|1,1,0]=4 826 B8R1.1 N#CC1=CSC(Cl)=C1 AK123380 [0,2,0,0,0,0|1,1,0]=4 827 B8R1.1 N#CC1=NNC(C)=C1 AK-42622 [0,2,0,0,0,0|2,0,0]=4 828 B8R1.1 N#CC1=NOC(C)=C1 AK117451 [0,2,0,0,0,0|1,0,0]=3 829 B8R1.1 NC1=CC(CC)=NN1 AK-31629 [0,2,0,0,0,0|2,0,0]=4 830 B8R1.1 NC1=CC(CC)=NO1 AK-86600 [0,2,0,0,0,0|2,0,0]=4 831 B8R1.1 NC1=NC(=CS1)CO AK-22009 [0,2,0,0,0,0|2,0,0]=4 832 B8R1.1 NC1=NC=C(CC)S1 AK112702 [0,2,0,0,0,0|1,1,0]=4 833 B8R1.1 NC1=NOC(CC)=C1 AK173167 [0,2,0,0,0,0|1,0,0]=3 834 B8R1.1 NCC1=CC(Br)=CS1 AK-77634 [0,2,0,0,0,0|0,1,0]=3 835 B8R1.1 NCC1=CC=C(Br)S1 AK-68661 [0,2,0,0,0,0|0,1,0]=3 836 B8R1.1 NCC1=CC=C(Cl)S1 AK170725 [0,2,0,0,0,0|0,1,0]=3 837 B8R1.1 NCC1=CN(C)N=C1 AK-35034 [0,2,0,0,0,0|2,0,0]=4 838 B8R1.1 NCC1=CN(C)N=C1 AK-76415 [0,2,0,0,0,0|2,0,0]=4 839 B8R1.1 NCC1=CN=C(Br)S1 AK164387 [0,2,0,0,0,0|1,1,0]=4 840 B8R1.1 NCC1=COC(C)=N1 AK668192 [0,2,0,0,0,0|1,0,0]=3 841 B8R1.1 NCC1=NOC(C)=C1 AK153364 [0,2,0,0,0,0|1,0,0]=3 842 B8R1.1 NCC1=NOC(C)=N1 AK184311 [0,2,0,0,0,0|2,0,0]=4 843 B8R1.1 O=C1NCC(OC)=C1 AK142161 [0,2,0,0,0,0|2,0,0]=4 844 B8R1.1 O=CC1=CC(Br)=CO1 AK-79028 [0,2,0,0,0,0|0,0,1]=3 845 B8R1.1 O=CC1=CC(Br)=CS1 AK-33867 [0,2,0,0,0,0|0,1,1]=4 846 B8R1.1 O=CC1=CC=C(Br)O1 AK-32379 [0,2,0,0,0,0|0,0,1]=3 847 B8R1.1 O=CC1=CC=C(C)O1 AK-94177 [0,2,0,0,0,0|0,0,0]=2 848 B8R1.1 O=CC1=CC=C(Cl)O1 AK158080 [0,2,0,0,0,0|0,0,1]=3 849 B8R1.1 O=CC1=CC=C(Cl)S1 AK-48469 [0,2,0,0,0,0|0,1,1]=4 850 B8R1.1 O=CC1=CN=C(C)O1 AK-25452 [0,2,0,0,0,0|1,0,0]=3 851 B8R1.1 O=CC1=CN=C(C)S1 AK-32616 [0,2,0,0,0,0|1,1,0]=4 852 B8R1.1 O=CC1=CSC(C)=C1 AK138065 [0,2,0,0,0,0|0,1,0]=3 853 B8R1.1 O=CC1=CSC(Cl)=C1 AK-50469 [0,2,0,0,0,0|1,1,0]=4 854 B8R1.1 O=CC1=NOC(C)=C1 AK-35881 [0,2,0,0,0,0|1,0,0]=3 855 B8R1.1 OCC1=CC(Br)=CS1 AK-36412 [0,2,0,0,0,0|0,1,0]=3 856 B8R1.1 OCC1=CC(Br)=NO1 AK-28028 [0,2,0,0,0,0|1,0,0]=3 857 B8R1.1 OCC1=CC=C(C)O1 AK135169 [0,2,0,0,0,0|0,0,0]=2 858 B8R1.1 OCC1=CN(C)C=N1 AK-44293 [0,2,0,0,0,0|2,0,0]=4 859 B8R1.1 OCC1=CN=C(C)O1 AK154941 [0,2,0,0,0,0|1,0,0]=3 860 B8R1.1 OCC1=CN=C(N)S1 AK-57568 [0,2,0,0,0,0|1,1,0]=4 861 B8R1.1 OCC1=CN=C(N)S1 AK164238 [0,2,0,0,0,0|1,1,0]=4 862 B8R1.1 OCC1=NC=C(C)S1 AK-48006 [0,2,0,0,0,0|1,1,0]=4 863 B8R1.1 OCC1=NN(C)C=C1 AK139734 [0,2,0,0,0,0|2,0,0]=4 864 B8R1.1 OCC1=NNC(N)=C1 AK145959 [0,2,0,0,0,0|2,0,0]=4 865 B8R1.7 C1=C(B(O)O)OC=C1 AK-47548 [0,2,0,0,0,0|1,0,0]=3 866 B8R1.7 C1=CSC(=N1)C(C)=O AK-46781 [0,2,0,0,0,0|1,1,0]=4 867 B8R1.7 CC(=O)C1=CC=CN1 AK-53458 [0,2,0,0,0,0|1,0,0]=3 868 B8R1.7 CC(=O)C1=CC=NO1 AK-68495 [0,2,0,0,0,0|1,0,0]=3 869 B8R1.7 CC(=O)C1=CSC=C1 AK-44537 [0,2,0,0,0,0|2,0,0]=4 870 B8R1.7 CC(C1=CC=CO1)C AK120816 [0,2,0,0,0,0|0,0,0]=2 871 B8R1.7 CC(C1=NC=CN1)C AK106223 [0,2,0,0,0,0|2,0,0]=4 872 B8R1.7 CC(N)C1=NC=CS1 AK-77903 [0,2,0,0,0,0|1,1,0]=4 873 B8R1.7 CC(N)C1=NC=CS1 AK-77904 [0,2,0,0,0,0|1,1,0]=4 874 B8R1.7 CC(N1N=CC=C1)C AK-61646 [0,2,0,0,0,0|2,0,0]=4 875 B8R1.7 C[C@@H](N)C1=NC=CS1 AK153996 [0,2,0,0,0,0|1,1,0]=4 876 B8R1.7 C[C@H](N)C1=CC=CO1 AK544263 [0,2,0,0,0,0|0,0,0]=2 877 B8R1.7 C[C@H](N)C1=CC=CS1 AK486945 [0,2,0,0,0,0|0,1,0]=3 878 B8R1.7 C[C@H](N)C1=NC=CS1 AK153993 [0,2,0,0,0,0|1,1,0]=4 879 B8R1.7 O=C(C1=CC=CN1)O AK-44225 [0,2,0,0,0,0|1,0,1]=4 880 B8R1.7 O=C(C1=CC=CO1)O AK-72863 [0,2,0,0,0,0|0,0,1]=3 881 B8R1.7 O=C(C1=CC=CS1)[O-] AK110095 [0,2,0,0,0,0|0,1,1]=4 882 B8R1.7 O=C(C1=CC=NO1)O AK-25596 [0,2,0,0,0,0|1,0,1]=4 883 B8R1.7 O=C(C1=CN=CO1)O AK-28732 [0,2,0,0,0,0|1,0,1]=4 884 B8R1.7 O=C(C1=CNC=C1)C AK-45953 [0,2,0,0,0,0|2,0,0]=4 885 B8R1.7 O=C(C1=CNC=N1)C AK-45163 [0,2,0,0,0,0|2,0,0]=4 886 B8R1.7 O=C(C1=NC=CO1)[O-] AK-93393 [0,2,0,0,0,0|1,0,1]=4 887 B8R1.7 O=[N+](C1=CC=CN1)[O-] AK-77322 [0,2,0,0,0,0|2,0,0]=4 888 B8R1.7 OB(C1=CC=CS1)O AK-46314 [0,2,0,0,0,0|1,1,0]=4 889 B8R1.7 S1C=C(N=C1)C(C)=O AK-39395 [0,2,0,0,0,0|2,0,0]=4 890 B8R1.7 S=C(C1=CC=CS1)N AK-40144 [0,2,0,0,0,0|0,1,1]=4 891 B8R1.7 [O-]C(=O)C1=CC=CS1 AK111442 [0,2,0,0,0,0|0,1,1]=4 892 B8R1.8 C1=CN=C(CCC)[NH]1 AK-49074 [0,2,0,0,0,0|2,0,0]=4 893 B8R1.8 CCCC1=NC=CS1 AK-60893 [0,2,0,0,0,0|1,1,0]=4 894 B8R1.8 CCOC1=NC=CS1 AK-79313 [0,2,0,0,0,0|1,1,0]=4 895 B8R1.8 CNCC1=CC=CS1 AK-16718 [0,2,0,0,0,0|0,1,0]=3 896 B8R1.8 CNCC1=CSC=C1 AK-49561 [0,2,0,0,0,0|2,0,0]=4 897 B8R1.8 ClCCC1=CN=CN1 AK-40927 [0,2,0,0,0,0|2,0,0]=4 898 B8R1.8 N#CCC1=CC=CS1 AK-93470 [0,2,0,0,0,0|0,1,0]=3 899 B8R1.8 N#CCC1=CSC=C1 AK-58785 [0,2,0,0,0,0|2,0,0]=4 900 B8R1.8 NCCC1=CC=CS1 AK-44822 [0,2,0,0,0,0|0,1,0]=3 901 B8R1.8 NCCC1=CN=CS1 AK140134 [0,2,0,0,0,0|1,1,0]=4 902 B8R1.8 NCCC1=CNC=N1 AK-29414 [0,2,0,0,0,0|2,0,0]=4 903 B8R1.8 NCCC1=CSC=C1 AK-28310 [0,2,0,0,0,0|2,0,0]=4 904 B8R1.8 NCCC1=CSC=C1 AK-49962 [0,2,0,0,0,0|2,0,0]=4 905 B8R1.8 NCCC1=NC=CN1 AK170004 [0,2,0,0,0,0|2,0,0]=4 906 B8R1.8 NCCN1C=CC=C1 AK-34573 [0,2,0,0,0,0|2,0,0]=4 907 B8R1.8 OCCC1=CC=CS1 AK-43981 [0,2,0,0,0,0|0,1,0]=3 908 B8R1.8 OCCC1=CN=CN1 AK144733 [0,2,0,0,0,0|2,0,0]=4 909 B8R1.8 OCCC1=CSC=C1 AK-68259 [0,2,0,0,0,0|2,0,0]=4 910 B8R1.11 BrC1=C(SC=N1)CO AK-24335 [0,2,0,0,0,0|1,1,0]=4 911 B8R1.11 C=CC1=C(C)N=CS1 AK306978 [0,2,0,0,0,0|2,0,0]=4 912 B8R1.11 CC1=C(C=O)N=CS1 AK-74018 [0,2,0,0,0,0|1,1,0]=4 913 B8R1.11 CC1=C(SC=N1)C=O AK-36462 [0,2,0,0,0,0|2,0,0]=4 914 B8R1.11 CC1=NSC=C1C#N AK-82179 [0,2,0,0,0,0|2,0,0]=4 915 B8R1.11 CC1=N[NH]C=C1C=O AK-27719 [0,2,0,0,0,0|2,0,0]=4 916 B8R1.11 CCN1N=CC=C1N AK-57067 [0,2,0,0,0,0|2,0,0]=4 917 B8R1.11 CN1C=CN=C1CCl AK-45446 [0,2,0,0,0,0|2,0,0]=4 918 B8R1.11 CN1C=CN=C1CN AK-38431 [0,2,0,0,0,0|2,0,0]=4 919 B8R1.11 CSC1=C(C)OC=C1 AK307519 [0,2,0,0,0,0|0,0,0]=2 920 B8R1.11 CSC1=NC=CN1C AK175602 [0,2,0,0,0,0|2,0,0]=4 921 B8R1.11 C[N]1C(=CC=N1)C=O AK-34470 [0,2,0,0,0,0|2,0,0]=4 922 B8R1.11 ClC1=C(CBr)C=CS1 AK113906 [0,2,0,0,0,0|1,1,0]=4 923 B8R1.11 N#CC1=C(Br)C=CS1 AK-79307 [0,2,0,0,0,0|0,1,1]=4 924 B8R1.11 N#CC1=C(N)NC=C1 AK113303 [0,2,0,0,0,0|2,0,0]=4 925 B8R1.11 N#CC1=CNN=C1C AK-76070 [0,2,0,0,0,0|2,0,0]=4 926 B8R1.11 NCC1=CC=CN1C AK-44946 [0,2,0,0,0,0|1,0,0]=3 927 B8R1.11 NCC1=CC=NN1C AK-76608 [0,2,0,0,0,0|2,0,0]=4 928 B8R1.11 O=CC1=C(Br)C=CS1 AK-36900 [0,2,0,0,0,0|0,1,1]=4 929 B8R1.11 O=CC1=C(Br)SC=C1 AK129456 [0,2,0,0,0,0|1,1,0]=4 930 B8R1.11 O=CC1=C(C)NC=N1 AK117462 [0,2,0,0,0,0|2,0,0]=4 931 B8R1.11 O=CC1=C(Cl)SC=C1 AK141878 [0,2,0,0,0,0|1,1,0]=4 932 B8R1.11 O=CC1=C(I)SC=C1 AK143585 [0,2,0,0,0,0|1,1,0]=4 933 B8R1.11 OCC1=C(Br)C=CS1 AK327707 [0,2,0,0,0,0|0,1,0]=3 934 B8R1.11 OCC1=C(C)N=CN1 AK-34958 [0,2,0,0,0,0|2,0,0]=4 935 B8R1.11 OCC1=CC=NN1C AK-65816 [0,2,0,0,0,0|2,0,0]=4 936 B8R1.11 OCC1=NC=CN1C AK-23555 [0,2,0,0,0,0|2,0,0]=4 937 B8R1.18 BrC1=NC(=C(S1)C)C AK-40981 [0,2,0,0,0,0|1,1,0]=4 938 B8R1.18 CC1=C(Br)N=C(Br)S1 AK100270 [0,2,0,0,0,0|1,1,0]=4 939 B8R1.18 CC1=C(Br)N=C(N)S1 AK-76836 [0,2,0,0,0,0|1,1,0]=4 940 B8R1.18 CC1=C(C)N=C(N)S1 AK-34230 [0,2,0,0,0,0|1,1,0]=4 941 B8R1.18 CC1=C(Cl)SC(Cl)=C1 AK-63384 [0,2,0,0,0,0|1,1,0]=4 942 B8R1.18 CC1=C(N=C([NH]1)Br)Br AK-28997 [0,2,0,0,0,0|2,0,0]=4 943 B8R1.18 CC1=C(OC(O1)=O)C AK-49114 [0,2,0,0,0,0|1,0,0]=3 944 B8R1.18 CC1=CC(Br)=NN1C AK142229 [0,2,0,0,0,0|2,0,0]=4 945 B8R1.18 CC1=CC(C)=NN1C AK-32793 [0,2,0,0,0,0|2,0,0]=4 946 B8R1.18 CC1=NC(C)=C(C)S1 AK-58544 [0,2,0,0,0,0|1,1,0]=4 947 B8R1.18 CC1=NN(C)C=C1I AK501768 [0,2,0,0,0,0|2,0,0]=4 948 B8R1.18 CN1N=C(Br)C=C1N AK-51332 [0,2,0,0,0,0|2,0,0]=4 949 B8R1.18 CN1N=C(C)C=C1N AK-44339 [0,2,0,0,0,0|2,0,0]=4 950 B8R1.18 C[N]1C(=CC(=N1)C)O AK-39754 [0,2,0,0,0,0|2,0,0]=4 951 B8R1.18 NC1=CN(C)N=C1C AK117155 [0,2,0,0,0,0|2,0,0]=4 952 B8R1.18 NC1=NC(=C(S1)Br)C AK-23596 [0,2,0,0,0,0|2,0,0]=4 953 B8R1.18 NC1=NC(=C(S1)Br)C AK-23597 [0,2,0,0,0,0|2,0,0]=4 954 B8R1.18 NC1=NC(C)=C(C)S1 AK-93474 [0,2,0,0,0,0|1,1,0]=4 955 B8R1.18 NC1=NN(C)C(C)=C1 AK-81604 [0,2,0,0,0,0|2,0,0]=4 956 B8R1.18 NC1=NN(C)C=C1Br AK122027 [0,2,0,0,0,0|2,0,0]=4 957 B8R1.18 O=C1C(Br)=CC(O1)=O AK-43651 [0,2,0,0,0,0|1,0,0]=3 958 B8R1.18 O=C1N(C)SC(Cl)=C1 AK128362 [0,2,0,0,0,0|1,1,0]=4 959 B8R1.18 O=C1OC(O)C(C)=C1 AK-59834 [0,2,0,0,0,0|1,0,1]=4 960 B8R1.18 OC1=CC(N)=NN1C AK139720 [0,2,0,0,0,0|2,0,0]=4 961 B8R1.50 CC1=C(Br)C(C)=NO1 AK-40049 [0,2,0,0,0,0|1,0,0]=3 962 B8R1.50 CC1=C(Br)N(C)C=N1 AK155413 [0,2,0,0,0,0|2,0,0]=4 963 B8R1.50 CC1=C(C)C(N)=NN1 AK-36836 [0,2,0,0,0,0|2,0,0]=4 964 B8R1.50 CC1=C(I)C(I)=NN1 AK165918 [0,2,0,0,0,0|2,0,0]=4 965 B8R1.50 CC1=C(ON=C1N)C AK-27780 [0,2,0,0,0,0|1,0,0]=3 966 B8R1.50 CC1=NC=C(Br)N1C AK-39971 [0,2,0,0,0,0|2,0,0]=4 967 B8R1.50 CC1=NOC(=C1I)C AK-32755 [0,2,0,0,0,0|1,0,0]=3 968 B8R1.50 CC1=N[NH]C(=C1I)C AK-34009 [0,2,0,0,0,0|2,0,0]=4 969 B8R1.50 CC=1CCC(C1O)=O AK103328 [0,2,0,0,0,0|1,0,1]=4 970 B8R1.50 CN1N=CC(N)=C1C AK105113 [0,2,0,0,0,0|2,0,0]=4 971 B8R1.50 NC1=C(C)N(C)N=C1 AK-78097 [0,2,0,0,0,0|2,0,0]=4 972 B8R1.50 NC1=C(C)ON=C1C AK114014 [0,2,0,0,0,0|1,0,0]=3 973 B8R1.50 NC1=C(Cl)C=NN1C AK143472 [0,2,0,0,0,0|2,0,0]=4 974 B8R1.50 NC1=C(N)N(C)N=C1 AK155874 [0,2,0,0,0,0|2,0,0]=4 975 B6R1.1 C1=CC=CC=C1 AK137956 [0,0,1,1,0,0|1,0,1]=4 976 B6R1.1 C1=NN=CC=C1 AK120859 [0,0,1,1,0,0|2,0,0]=4