0 B6R0.6 CC=CCCCO H41548 [0,0,0,0,0,0|0,0,4]=4 1 B6R0.6 CCC\C=C\CO H41550 [0,0,0,0,0,0|0,0,4]=4 2 B6R0.6 C\C=C\C=C\CO H69109 [0,0,0,0,0,0|0,0,2]=2 3 B5R0.2 CCO\C=C/Br B2725 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.3 COC(=O)C=CCBr M37461 [0,1,0,0,0,0|2,0,1]=4 5 B7R0.3 COC(=O)CNC=O M40228 [0,1,0,0,0,0|2,0,1]=4 6 B7R0.3 COC(=O)\C=C\CBr M41176 [0,1,0,0,0,0|2,0,1]=4 7 B7R0.3 COC=CC(=O)OC M39186 [0,1,0,0,0,0|3,0,0]=4 8 B7R0.3 CO\C=C\C(=O)OC M41228 [0,1,0,0,0,0|3,0,0]=4 9 B7R0.4 CCC\C=C\C(=O)O H41460 [0,1,0,0,0,0|0,0,2]=3 10 B7R0.4 CCOC=CC(=O)O E41226 [0,1,0,0,0,0|1,0,1]=3 11 B7R0.4 COC\C=C\C(=O)O M63576 [0,1,0,0,0,0|1,0,1]=3 12 B7R0.7 CCOC(=O)[CH-]C=O E29890 [0,1,0,0,0,0|1,0,2]=4 13 B7R0.7 CCOC(=O)\C=C\I E41181 [0,1,0,0,0,0|2,0,1]=4 14 B7R1.1 C#CC1=CC=CS1 E42371 [0,0,0,1,0,0|0,1,2]=4 15 B7R1.1 C=CC1=CC=CS1 V38168 [0,0,0,1,0,0|0,1,1]=3 16 B7R1.1 C=CC1=NC=CS1 V41009 [0,0,0,1,0,0|1,1,1]=4 17 B7R1.1 CCC1=NC=CN1 E68629 [0,0,0,1,0,0|2,0,1]=4 18 B7R1.1 CNC1=NC=CS1 M67793 [0,0,0,1,0,0|2,1,0]=4 19 B7R1.1 COC1=CC=CS1 M41123 [0,0,0,1,0,0|1,1,0]=3 20 B7R1.1 COC1=CSC=C1 M41124 [0,0,0,1,0,0|3,0,0]=4 21 B7R1.1 COC1=NC=CS1 M2608 [0,0,0,1,0,0|2,1,0]=4 22 B7R1.1 CSC1=NC=CO1 M40164 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.1 N#CC1=CC=CN1 P0691 [0,0,0,1,0,0|2,0,1]=4 24 B7R1.1 N#CC1=CC=CO1 F40652 [0,0,0,1,0,0|1,0,2]=4 25 B7R1.1 N#CC1=CC=CS1 T40685 [0,0,0,1,0,0|1,1,1]=4 26 B7R1.1 NCC1=CC=CN1 P41359 [0,0,0,1,0,0|2,0,1]=4 27 B7R1.1 NCC1=CC=CS1 A12813 [0,0,0,1,0,0|1,1,1]=4 28 B7R1.1 O=CC1=CC=CN1 P64891 [0,0,0,1,0,0|1,0,0]=2 29 B7R1.1 O=CC1=CC=CS1 T68614 [0,0,0,1,0,0|1,0,0]=2 30 B7R1.1 O=CC1=CC=NO1 K40060 [0,0,0,1,0,0|2,0,0]=3 31 B7R1.1 O=CC1=CCCC1 C69466 [0,0,0,1,0,0|0,0,2]=3 32 B7R1.1 O=CC1=CN=CO1 X11928 [0,0,0,1,0,0|2,0,0]=3 33 B7R1.1 O=CC1=CN=CS1 T2161 [0,0,0,1,0,0|2,0,0]=3 34 B7R1.1 O=CC1=CNC=C1 P25022 [0,0,0,1,0,0|1,0,1]=3 35 B7R1.1 O=CC1=CNN=C1 P0675 [0,0,0,1,0,0|2,0,1]=4 36 B7R1.1 O=CC1=CNN=C1 P7759 [0,0,0,1,0,0|2,0,1]=4 37 B7R1.1 O=CC1=COC=C1 F65465 [0,0,0,1,0,0|1,0,1]=3 38 B7R1.1 O=CC1=CSC=C1 T12697 [0,0,0,1,0,0|1,0,1]=3 39 B7R1.1 O=CC1=CSC=N1 T2159 [0,0,0,1,0,0|2,0,0]=3 40 B7R1.1 O=CC1=NC=CN1 F2135 [0,0,0,1,0,0|2,0,0]=3 41 B7R1.1 O=CC1=NC=CS1 T2877 [0,0,0,1,0,0|2,0,0]=3 42 B7R1.1 O=CC1=NNC=C1 P23454 [0,0,0,1,0,0|2,0,0]=3 43 B7R1.1 O=CC1=NOC=C1 I0114 [0,0,0,1,0,0|2,0,0]=3 44 B7R1.1 OCC1=CC=CS1 T12815 [0,0,0,1,0,0|1,0,2]=4 45 B7R1.3 BrC1=CC=NC=C1 B2747 [0,0,0,1,0,0|2,0,1]=4 46 B7R1.3 BrC1=CC=NC=C1 B65041 [0,0,0,1,0,0|2,0,1]=4 47 B7R1.3 BrC1=CN=CC=C1 B2746 [0,0,0,1,0,0|2,0,1]=4 48 B7R1.3 BrC1=NC=CC=N1 B2474 [0,0,0,1,0,0|3,0,0]=4 49 B7R1.3 BrC1=NC=CN=C1 B40020 [0,0,0,1,0,0|3,0,0]=4 50 B7R1.3 BrC1=NC=NC=C1 B62457 [0,0,0,1,0,0|3,0,0]=4 51 B7R1.3 BrC1=NN=CC=C1 B26087 [0,0,0,1,0,0|3,0,0]=4 52 B7R1.3 CC1=CC=CN=N1 M0216 [0,0,0,1,0,0|2,0,0]=3 53 B7R1.3 CC1=CN=CN=C1 M41018 [0,0,0,1,0,0|3,0,0]=4 54 B7R1.3 CC1=CN=NC=C1 M3532 [0,0,0,1,0,0|3,0,0]=4 55 B7R1.3 CC1=NC=CC=N1 M68916 [0,0,0,1,0,0|2,0,0]=3 56 B7R1.3 CC1=NC=CN=C1 M61917 [0,0,0,1,0,0|2,0,0]=3 57 B7R1.3 CC1=NC=CN=N1 M36785 [0,0,0,1,0,0|3,0,0]=4 58 B7R1.3 CC1=NC=NC=C1 M7491 [0,0,0,1,0,0|2,0,0]=3 59 B7R1.3 C[N+]1=CC=CC=C1 M38728 [0,0,0,1,0,0|2,0,0]=3 60 B7R1.3 ClC1=CC=NC=C1 C39170 [0,0,0,1,0,0|2,0,1]=4 61 B7R1.3 ClC1=CN=CC=C1 C68367 [0,0,0,1,0,0|2,0,1]=4 62 B7R1.3 ClC1=NC=CN=C1 C5165 [0,0,0,1,0,0|3,0,0]=4 63 B7R1.3 ClC1=NC=NC=C1 C0425 [0,0,0,1,0,0|3,0,0]=4 64 B7R1.3 ClC1=NN=CC=C1 C7487 [0,0,0,1,0,0|3,0,0]=4 65 B7R1.3 FC1=CC=NC=C1 F2970 [0,0,0,1,0,0|2,0,1]=4 66 B7R1.3 FC1=CN=CC=C1 F1892 [0,0,0,1,0,0|2,0,1]=4 67 B7R1.3 FC1=NC=CC=C1 F4862 [0,0,0,1,0,0|2,0,0]=3 68 B7R1.3 FC1=NC=CC=N1 F69151 [0,0,0,1,0,0|3,0,0]=4 69 B7R1.3 FC1=NC=CN=C1 F40023 [0,0,0,1,0,0|3,0,0]=4 70 B7R1.3 IC1=CC=CC=C1 I38419 [0,0,0,1,0,0|1,0,1]=3 71 B7R1.3 IC1=CC=NC=C1 I3870 [0,0,0,1,0,0|2,0,1]=4 72 B7R1.3 IC1=CN=CC=C1 I16635 [0,0,0,1,0,0|2,0,1]=4 73 B7R1.3 IC1=NC=CC=C1 K67594 [0,0,0,1,0,0|2,0,0]=3 74 B7R1.3 IC1=NC=CC=N1 K40026 [0,0,0,1,0,0|3,0,0]=4 75 B7R1.3 IC1=NC=CN=C1 I2669 [0,0,0,1,0,0|3,0,0]=4 76 B7R1.3 NC1=CC=CN=N1 A6039 [0,0,0,1,0,0|3,0,0]=4 77 B7R1.3 NC1=NC=CC=C1 A23973 [0,0,0,1,0,0|2,0,0]=3 78 B7R1.3 NC1=NC=CN=C1 A15535 [0,0,0,1,0,0|3,0,0]=4 79 B7R1.3 NC1=NC=NC=C1 A12258 [0,0,0,1,0,0|3,0,0]=4 80 B7R1.3 O=C1C=CC=NN1 P5932 [0,0,0,1,0,0|2,0,0]=3 81 B7R1.3 O=C1C=CCCN1 D67780 [0,0,0,1,0,0|1,0,2]=4 82 B7R1.3 O=C1C=CCOC1 P26982 [0,0,0,1,0,0|1,0,1]=3 83 B7R1.3 O=C1C=CN=CN1 P0246 [0,0,0,1,0,0|2,0,0]=3 84 B7R1.3 O=C1C=COC=C1 P40862 [0,0,0,1,0,0|1,0,1]=3 85 B7R1.3 O=C1C=NC=CN1 H68630 [0,0,0,1,0,0|2,0,0]=3 86 B7R1.3 O=C1N=CC=CN1 P67458 [0,0,0,1,0,0|2,0,0]=3 87 B7R1.3 OC1=CC=NC=C1 H10331 [0,0,0,1,0,0|1,0,2]=4 88 B7R1.3 OC1=NC=CC=C1 P61113 [0,0,0,1,0,0|1,0,1]=3 89 B7R1.3 OC1=NC=NC=C1 P32223 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.3 S=C1C=CN=CN1 P40081 [0,0,0,1,0,0|2,1,0]=4 91 B7R1.3 S=C1N=CC=CN1 P61565 [0,0,0,1,0,0|2,1,0]=4 92 B7R1.3 [Mg+]C1=CC=CC=C1 P31728 [0,0,0,1,0,0|1,0,1]=3 93 B7R1.3 [Mg+]C1=CN=CC=C1 P8350 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.3 [Mg+]C1=NC=CC=C1 P8351 [0,0,0,1,0,0|2,0,0]=3 95 B7R1.4 BrC1=C(Br)SC=C1 D39969 [0,0,0,1,0,0|3,0,0]=4 96 B7R1.4 BrC1=C(I)SC=C1 B39972 [0,0,0,1,0,0|3,0,0]=4 97 B7R1.4 BrC1=CSC=C1Br D39147 [0,0,0,1,0,0|3,0,0]=4 98 B7R1.4 BrC1=CSC=C1I B39973 [0,0,0,1,0,0|3,0,0]=4 99 B7R1.4 CC1=C(Br)C=NN1 B12011 [0,0,0,1,0,0|3,0,0]=4 100 B7R1.4 CC1=C(Br)C=NO1 B40106 [0,0,0,1,0,0|3,0,0]=4 101 B7R1.4 CC1=C(Br)N=CS1 B61015 [0,0,0,1,0,0|3,0,0]=4 102 B7R1.4 CC1=C(Br)NC=N1 B40116 [0,0,0,1,0,0|3,0,0]=4 103 B7R1.4 CC1=C(Br)SC=C1 B12699 [0,0,0,1,0,0|2,0,0]=3 104 B7R1.4 CC1=C(Br)SC=N1 B5072 [0,0,0,1,0,0|3,0,0]=4 105 B7R1.4 CC1=C(C)NC=N1 D41358 [0,0,0,1,0,0|3,0,0]=4 106 B7R1.4 CC1=C(C)NC=N1 D43581 [0,0,0,1,0,0|3,0,0]=4 107 B7R1.4 CC1=C(C)SC=N1 D41175 [0,0,0,1,0,0|3,0,0]=4 108 B7R1.4 CC1=C(Cl)SC=C1 C39173 [0,0,0,1,0,0|2,0,0]=3 109 B7R1.4 CC1=C(I)NC=N1 K40125 [0,0,0,1,0,0|3,0,0]=4 110 B7R1.4 CC1=C(N)NN=C1 M13606 [0,0,0,1,0,0|3,0,0]=4 111 B7R1.4 CC1=C(N)ON=C1 M40180 [0,0,0,1,0,0|3,0,0]=4 112 B7R1.4 CC1=CC=NN1C D3267 [0,0,0,1,0,0|3,0,0]=4 113 B7R1.4 CC1=CNC=C1C D12050 [0,0,0,1,0,0|2,0,0]=3 114 B7R1.4 CC1=CNN=C1Br B10968 [0,0,0,1,0,0|3,0,0]=4 115 B7R1.4 CC1=CNN=C1C D22811 [0,0,0,1,0,0|3,0,0]=4 116 B7R1.4 CC1=CNN=C1C D60965 [0,0,0,1,0,0|3,0,0]=4 117 B7R1.4 CC1=CSC=C1Br B40866 [0,0,0,1,0,0|2,0,0]=3 118 B7R1.4 CC1=NNC=C1I K40121 [0,0,0,1,0,0|3,0,0]=4 119 B7R1.4 CC1=NOC=C1N M38991 [0,0,0,1,0,0|3,0,0]=4 120 B7R1.4 CN1C=CN=C1Br B9674 [0,0,0,1,0,0|3,0,0]=4 121 B7R1.4 CN1C=CN=C1Cl C3018 [0,0,0,1,0,0|3,0,0]=4 122 B7R1.4 CN1C=CN=C1I I2903 [0,0,0,1,0,0|3,0,0]=4 123 B7R1.4 CN1C=CN=C1N M40330 [0,0,0,1,0,0|3,0,0]=4 124 B7R1.4 CN1C=CN=C1N M67646 [0,0,0,1,0,0|3,0,0]=4 125 B7R1.4 CN1C=NC=C1Br B2463 [0,0,0,1,0,0|3,0,0]=4 126 B7R1.4 CN1C=NC=C1Cl C40118 [0,0,0,1,0,0|3,0,0]=4 127 B7R1.4 CN1C=NC=C1I K2147 [0,0,0,1,0,0|3,0,0]=4 128 B7R1.4 CN1C=NC=C1N M38381 [0,0,0,1,0,0|3,0,0]=4 129 B7R1.4 CN1N=CC=C1I M9757 [0,0,0,1,0,0|3,0,0]=4 130 B7R1.4 CN1N=CC=C1N M12745 [0,0,0,1,0,0|3,0,0]=4 131 B7R1.4 CN1N=CC=C1O M23117 [0,0,0,1,0,0|2,0,1]=4 132 B7R1.4 CN1N=CCC1=O M40183 [0,0,0,1,0,0|2,0,1]=4 133 B7R1.4 CN1NC=CC1=O M40184 [0,0,0,1,0,0|2,0,0]=3 134 B7R1.4 ClC1=C(Br)C=CS1 B37895 [0,0,0,1,0,0|3,0,0]=4 135 B7R1.4 ClC1=C(Br)SC=C1 B39970 [0,0,0,1,0,0|3,0,0]=4 136 B7R1.4 ClC1=C(I)SC=C1 C60404 [0,0,0,1,0,0|3,0,0]=4 137 B7R1.4 NC1=CSC=C1Br B30109 [0,0,0,1,0,0|3,0,0]=4 138 B7R1.4 NC1=CSC=C1N D40188 [0,0,0,1,0,0|3,0,0]=4 139 B7R1.4 NC1=CSC=C1N T40358 [0,0,0,1,0,0|3,0,0]=4 140 B7R1.4 O=C1CCC=C1Br B3409 [0,0,0,1,0,0|1,0,2]=4 141 B7R1.4 O=C1CCC=C1O H41119 [0,0,0,1,0,0|1,0,2]=4 142 B6R0.1 CC=CC(=O)CC H41457 [1,1,0,0,0,0|0,0,2]=4 143 B6R0.1 COC(=O)\C=C/Br B3417 [1,1,0,0,0,0|2,0,0]=4 144 B6R0.1 COC(=O)\C=C/I I2748 [1,1,0,0,0,0|2,0,0]=4 145 B6R0.1 COC(=O)\C=C\I M40173 [1,1,0,0,0,0|2,0,0]=4 146 B6R0.4 C=CCCC(=O)O P37823 [1,1,0,0,0,0|0,0,2]=4 147 B6R0.4 C=CCCC(N)=O P5022 [1,1,0,0,0,0|0,0,2]=4 148 B6R0.4 C=C\C=C/C(=O)O P41118 [1,1,0,0,0,0|0,0,0]=2 149 B6R0.4 CN(C)\C=C\C=O D36904 [1,1,0,0,0,0|1,0,0]=3 150 B6R0.4 COC=CC(C)=O M41222 [1,1,0,0,0,0|1,0,0]=3 151 B6R0.4 O=C(O)\C=C\CBr B37272 [1,1,0,0,0,0|1,0,1]=4 152 B8R0.1 CCOC(=O)\C=C\C=O E69342 [0,2,0,0,0,0|0,0,1]=3 153 B8R0.6 CCCC=CC(=O)OC M43802 [0,2,0,0,0,0|0,0,2]=4 154 B8R0.9 CC(C)O\C=C(/Br)C=O B1138 [0,2,0,0,0,0|1,0,1]=4 155 B8R0.9 COC(=O)\C=C\C(=O)O M60916 [0,2,0,0,0,0|1,0,0]=3 156 B8R0.5 CCC\C(C)=C\C(=O)O M62391 [0,2,0,0,0,0|0,0,2]=4 157 B8R0.28 CC(=O)CCC=C(C)C M68353 [0,2,0,0,0,0|0,0,2]=4 158 B8R0.28 CN(C)C\C=C\C(=O)O D25643 [0,2,0,0,0,0|1,0,1]=4 159 B6R1.1 C1=CC=CC=C1 B62491 [1,0,0,1,0,0|0,0,1]=3 160 B6R1.1 C1=CC=NC=C1 M38695 [1,0,0,1,0,0|1,0,0]=3 161 B6R1.1 C1=CC=NC=C1 P60750 [1,0,0,1,0,0|1,0,0]=3 162 B6R1.1 C1=CC=NC=C1 P60758 [1,0,0,1,0,0|1,0,0]=3 163 B6R1.1 C1=CC=NC=C1 P69056 [1,0,0,1,0,0|1,0,0]=3 164 B6R1.1 C1=CN=CC=N1 P39150 [1,0,0,1,0,0|2,0,0]=4 165 B6R1.1 C1=CN=NC=C1 P40319 [1,0,0,1,0,0|2,0,0]=4 166 B6R1.1 C1=CN=NC=C1 P67868 [1,0,0,1,0,0|2,0,0]=4 167 B6R1.2 BrC1=CC=CS1 B69329 [1,0,0,1,0,0|1,1,0]=4 168 B6R1.2 BrC1=COC=C1 B40068 [1,0,0,1,0,0|2,0,0]=4 169 B6R1.2 BrC1=CSC=C1 B39148 [1,0,0,1,0,0|2,0,0]=4 170 B6R1.2 CC1=CC=CN1 M37933 [1,0,0,1,0,0|1,0,0]=3 171 B6R1.2 CC1=CC=CS1 M39179 [1,0,0,1,0,0|0,1,0]=3 172 B6R1.2 CC1=CC=NO1 M24354 [1,0,0,1,0,0|1,0,1]=4 173 B6R1.2 CC1=CN=CS1 M40166 [1,0,0,1,0,0|1,1,0]=4 174 B6R1.2 CC1=CNC=C1 M14657 [1,0,0,1,0,0|1,0,0]=3 175 B6R1.2 CC1=COC=N1 M13405 [1,0,0,1,0,0|2,0,0]=4 176 B6R1.2 CC1=CSC=N1 M24933 [1,0,0,1,0,0|2,0,0]=4 177 B6R1.2 CC1=NC=CS1 M40165 [1,0,0,1,0,0|1,1,0]=4 178 B6R1.2 CC1=NNC=C1 M36663 [1,0,0,1,0,0|2,0,0]=4 179 B6R1.2 CC1=NOC=C1 M40157 [1,0,0,1,0,0|2,0,0]=4 180 B6R1.2 CN1C=CC=N1 M12066 [1,0,0,1,0,0|2,0,0]=4 181 B6R1.2 CN1C=CN=C1 M68061 [1,0,0,1,0,0|2,0,0]=4 182 B6R1.2 ClC1=CSC=C1 C40018 [1,0,0,1,0,0|2,0,0]=4 183 B6R1.2 IC1=CC=CS1 K39149 [1,0,0,1,0,0|1,1,0]=4 184 B6R1.2 IC1=CSC=C1 K40019 [1,0,0,1,0,0|2,0,0]=4 185 B6R1.2 NC1=CSC=C1 A40167 [1,0,0,1,0,0|2,0,0]=4 186 B6R1.2 NC1=CSC=C1 T10330 [1,0,0,1,0,0|2,0,0]=4 187 B6R1.2 NC1=CSC=C1 T64858 [1,0,0,1,0,0|2,0,0]=4 188 B6R1.2 NN1C=CC=C1 A7731 [1,0,0,1,0,0|2,0,0]=4 189 B6R1.2 O=C1C=CCC1 C26583 [1,0,0,1,0,0|0,0,1]=3 190 B6R1.2 O=C1C=CCO1 F5673 [1,0,0,1,0,0|1,0,1]=4 191 B6R1.2 O=C1C=CNN1 P32282 [1,0,0,1,0,0|2,0,0]=4 192 B6R1.2 O=C1C=CSN1 T60536 [1,0,0,1,0,0|2,0,0]=4 193 B6R1.2 O=C1CC=CC1 C19712 [1,0,0,1,0,0|0,0,1]=3 194 B6R1.2 O=C1CC=NN1 P39834 [1,0,0,1,0,0|2,0,0]=4 195 B6R1.2 O=C1NC=CN1 K39835 [1,0,0,1,0,0|2,0,0]=4 196 B6R1.2 O=C1NC=CO1 X39828 [1,0,0,1,0,0|2,0,0]=4 197 B8R1.2 BrCC1=CC=NC=C1 B36897 [0,1,0,1,0,0|2,0,0]=4 198 B8R1.2 BrCC1=CN=CC=C1 B23879 [0,1,0,1,0,0|2,0,0]=4 199 B8R1.2 BrCC1=NC=CC=C1 B42841 [0,1,0,1,0,0|1,0,0]=3 200 B8R1.2 BrCC1=NC=CN=C1 B36766 [0,1,0,1,0,0|2,0,0]=4 201 B8R1.2 BrCC1=NC=NC=C1 B32305 [0,1,0,1,0,0|2,0,0]=4 202 B8R1.2 BrCC1=NN=CC=C1 B36818 [0,1,0,1,0,0|2,0,0]=4 203 B8R1.2 C#CC1=NC=CC=C1 E12434 [0,1,0,1,0,0|1,0,1]=4 204 B8R1.2 CCC1=NC=CN=C1 E43180 [0,1,0,1,0,0|1,0,1]=4 205 B8R1.2 CNC1=CC=CN=C1 M38086 [0,1,0,1,0,0|2,0,0]=4 206 B8R1.2 CNC1=CC=NC=C1 M68620 [0,1,0,1,0,0|2,0,0]=4 207 B8R1.2 CNC1=NC=CN=C1 M41140 [0,1,0,1,0,0|2,0,0]=4 208 B8R1.2 COC1=CC=NC=C1 M9391 [0,1,0,1,0,0|2,0,0]=4 209 B8R1.2 COC1=CN=CC=C1 M67978 [0,1,0,1,0,0|2,0,0]=4 210 B8R1.2 COC1=NC=CC=C1 M39277 [0,1,0,1,0,0|1,0,0]=3 211 B8R1.2 COC1=NC=CN=C1 M2768 [0,1,0,1,0,0|2,0,0]=4 212 B8R1.2 COC1=NN=CC=C1 M41021 [0,1,0,1,0,0|2,0,0]=4 213 B8R1.2 CSC1=NC=CC=N1 M2492 [0,1,0,1,0,0|2,0,0]=4 214 B8R1.2 ClCC1=CC=NC=C1 C68845 [0,1,0,1,0,0|2,0,0]=4 215 B8R1.2 ClCC1=NC=CC=C1 C67870 [0,1,0,1,0,0|1,0,0]=3 216 B8R1.2 ClCC1=NC=CC=N1 C0153 [0,1,0,1,0,0|2,0,0]=4 217 B8R1.2 ClCC1=NC=CC=N1 C40877 [0,1,0,1,0,0|2,0,0]=4 218 B8R1.2 ClCC1=NC=CN=C1 C0149 [0,1,0,1,0,0|2,0,0]=4 219 B8R1.2 ClCC1=NC=NC=C1 C40878 [0,1,0,1,0,0|2,0,0]=4 220 B8R1.2 ClCC1=NN=CC=C1 C0156 [0,1,0,1,0,0|2,0,0]=4 221 B8R1.2 NCC1=CC=CN=C1 A69257 [0,1,0,1,0,0|2,0,0]=4 222 B8R1.2 NCC1=CC=CN=N1 A0031 [0,1,0,1,0,0|2,0,0]=4 223 B8R1.2 NCC1=CC=CN=N1 P29569 [0,1,0,1,0,0|2,0,0]=4 224 B8R1.2 NCC1=CC=NC=C1 P67743 [0,1,0,1,0,0|2,0,0]=4 225 B8R1.2 NCC1=NC=CC=N1 A7421 [0,1,0,1,0,0|2,0,0]=4 226 B8R1.2 NCC1=NC=CC=N1 P0030 [0,1,0,1,0,0|2,0,0]=4 227 B8R1.2 NCC1=NC=CN=C1 P0029 [0,1,0,1,0,0|2,0,0]=4 228 B8R1.2 NCC1=NC=CN=C1 P4303 [0,1,0,1,0,0|2,0,0]=4 229 B8R1.2 NCC1=NC=NC=C1 A0032 [0,1,0,1,0,0|2,0,0]=4 230 B8R1.2 NCC1=NC=NC=C1 A10198 [0,1,0,1,0,0|2,0,0]=4 231 B8R1.2 NCC1=NC=NC=C1 P23754 [0,1,0,1,0,0|2,0,0]=4 232 B8R1.2 NNC1=CC=CC=C1 P68696 [0,1,0,1,0,0|1,0,1]=4 233 B8R1.2 NNC1=NC=CC=C1 H38511 [0,1,0,1,0,0|2,0,0]=4 234 B8R1.2 NOC1=CC=CC=C1 P43533 [0,1,0,1,0,0|0,0,2]=4 235 B8R1.2 O=CC1=CC=NC=C1 P42598 [0,1,0,1,0,0|0,0,1]=3 236 B8R1.2 O=CC1=CCCOC1 D43308 [0,1,0,1,0,0|0,0,2]=4 237 B8R1.2 O=CC1=CN=CC=C1 P13753 [0,1,0,1,0,0|0,0,1]=3 238 B8R1.2 O=CC1=CN=CN=C1 F2817 [0,1,0,1,0,0|1,0,1]=4 239 B8R1.2 O=CC1=CN=NC=C1 P7445 [0,1,0,1,0,0|1,0,1]=4 240 B8R1.2 O=CC1=COCCC1 D43307 [0,1,0,1,0,0|0,0,2]=4 241 B8R1.2 O=CC1=NC=CC=C1 P67836 [0,1,0,1,0,0|0,0,1]=3 242 B8R1.2 O=CC1=NC=CC=N1 P0152 [0,1,0,1,0,0|1,0,0]=3 243 B8R1.2 O=CC1=NC=CN=C1 P0148 [0,1,0,1,0,0|1,0,0]=3 244 B8R1.2 O=CC1=NC=NC=C1 P40755 [0,1,0,1,0,0|1,0,0]=3 245 B8R1.2 O=C[C@@H]1CCC=CO1 D15376 [0,1,0,1,0,0|0,0,2]=4 246 B8R1.2 OCC1=CC=NC=C1 P43429 [0,1,0,1,0,0|2,0,0]=4 247 B8R1.2 OCC1=CC=NC=C1 P67894 [0,1,0,1,0,0|2,0,0]=4 248 B8R1.2 OCC1=CN=CC=C1 P15946 [0,1,0,1,0,0|2,0,0]=4 249 B8R1.2 OCC1=NC=CC=C1 P69303 [0,1,0,1,0,0|1,0,0]=3 250 B8R1.2 OCC1=NC=CC=N1 P0151 [0,1,0,1,0,0|2,0,0]=4 251 B8R1.2 OCC1=NC=CN=C1 P0147 [0,1,0,1,0,0|2,0,0]=4 252 B8R1.2 OCC1=NC=NC=C1 P0160 [0,1,0,1,0,0|2,0,0]=4 253 B8R1.2 OCC1=NN=CC=C1 P0155 [0,1,0,1,0,0|2,0,0]=4 254 B8R1.2 ONC1=CC=CC=C1 P67873 [0,1,0,1,0,0|0,0,2]=4 255 B8R1.5 BrC1=C(Br)C=NC=C1 D37531 [0,1,0,1,0,0|2,0,0]=4 256 B8R1.5 BrC1=C(I)C=CC=C1 B38417 [0,1,0,1,0,0|1,0,1]=4 257 B8R1.5 BrC1=C(I)C=CC=N1 B40636 [0,1,0,1,0,0|2,0,0]=4 258 B8R1.5 BrC1=C(I)C=CN=C1 B40638 [0,1,0,1,0,0|2,0,0]=4 259 B8R1.5 BrC1=C(I)C=NC=C1 B38878 [0,1,0,1,0,0|2,0,0]=4 260 B8R1.5 CC1=C(Br)C=CC=N1 B10407 [0,1,0,1,0,0|1,0,0]=3 261 B8R1.5 CC1=C(Br)C=CN=C1 B10400 [0,1,0,1,0,0|1,0,0]=3 262 B8R1.5 CC1=C(Br)C=NC=C1 B3515 [0,1,0,1,0,0|1,0,0]=3 263 B8R1.5 CC1=C(Br)C=NC=N1 B14434 [0,1,0,1,0,0|2,0,0]=4 264 B8R1.5 CC1=C(Cl)C=CC=N1 C42843 [0,1,0,1,0,0|1,0,0]=3 265 B8R1.5 CC1=C(Cl)C=CN=C1 C68326 [0,1,0,1,0,0|1,0,0]=3 266 B8R1.5 CC1=C(Cl)C=NC=C1 C42844 [0,1,0,1,0,0|1,0,0]=3 267 B8R1.5 CC1=C(F)C=CC=N1 F69193 [0,1,0,1,0,0|1,0,0]=3 268 B8R1.5 CC1=C(F)C=CN=C1 F43525 [0,1,0,1,0,0|1,0,0]=3 269 B8R1.5 CC1=C(F)C=NC=C1 F3668 [0,1,0,1,0,0|1,0,0]=3 270 B8R1.5 CC1=C(I)C=CC=C1 K67847 [0,1,0,1,0,0|1,0,0]=3 271 B8R1.5 CC1=C(I)C=NC=N1 K40890 [0,1,0,1,0,0|2,0,0]=4 272 B8R1.5 CC1=C(N)C=CN=C1 A4667 [0,1,0,1,0,0|1,0,0]=3 273 B8R1.5 CC1=C(N)C=NC=C1 A14314 [0,1,0,1,0,0|1,0,0]=3 274 B8R1.5 CC1=C(O)C=CC=N1 H10468 [0,1,0,1,0,0|0,0,1]=3 275 B8R1.5 CC1=C(O)C=CN=C1 M43132 [0,1,0,1,0,0|0,0,1]=3 276 B8R1.5 CC1=C(O)C=NC=C1 H12910 [0,1,0,1,0,0|0,0,1]=3 277 B8R1.5 CC1=C([Mg+])C=CC=C1 M31729 [0,1,0,1,0,0|1,0,0]=3 278 B8R1.5 CC1=CC=CN=C1Br B13771 [0,1,0,1,0,0|1,0,0]=3 279 B8R1.5 CC1=CC=CN=C1C L68373 [0,1,0,1,0,0|1,0,0]=3 280 B8R1.5 CC1=CC=CN=C1Cl C21969 [0,1,0,1,0,0|1,0,0]=3 281 B8R1.5 CC1=CC=CN=C1F F42847 [0,1,0,1,0,0|1,0,0]=3 282 B8R1.5 CC1=CC=CN=C1N M20541 [0,1,0,1,0,0|1,0,0]=3 283 B8R1.5 CC1=CC=CNC1=O M68618 [0,1,0,1,0,0|0,0,0]=2 284 B8R1.5 CC1=CC=NN=C1Cl C20457 [0,1,0,1,0,0|2,0,0]=4 285 B8R1.5 CC1=CC=NN=C1Cl C2949 [0,1,0,1,0,0|2,0,0]=4 286 B8R1.5 CC1=CC=NNC1=O M5790 [0,1,0,1,0,0|1,0,0]=3 287 B8R1.5 CC1=CN=CN=C1Cl C24055 [0,1,0,1,0,0|2,0,0]=4 288 B8R1.5 CC1=CN=CN=C1N A38299 [0,1,0,1,0,0|2,0,0]=4 289 B8R1.5 CC1=CN=CN=C1O H41028 [0,1,0,1,0,0|1,0,1]=4 290 B8R1.5 CC1=CN=NC=C1N M60072 [0,1,0,1,0,0|2,0,0]=4 291 B8R1.5 CC1=NC=CN=C1Br B14599 [0,1,0,1,0,0|2,0,0]=4 292 B8R1.5 CC1=NC=CN=C1Cl C14608 [0,1,0,1,0,0|2,0,0]=4 293 B8R1.5 CC1=NC=CN=C1I I14601 [0,1,0,1,0,0|2,0,0]=4 294 B8R1.5 CC1=NC=CN=C1N A14593 [0,1,0,1,0,0|2,0,0]=4 295 B8R1.5 CC1=NC=CN=C1O H14600 [0,1,0,1,0,0|1,0,1]=4 296 B8R1.5 CC1=NC=NC=C1N A14334 [0,1,0,1,0,0|2,0,0]=4 297 B8R1.5 CN1C=CC=CC1=O M62252 [0,1,0,1,0,0|0,0,0]=2 298 B8R1.5 C[N+]1=C(Cl)C=CC=C1 C39196 [0,1,0,1,0,0|1,0,0]=3 299 B8R1.5 ClC1=C(Br)C=CC=C1 B67579 [0,1,0,1,0,0|1,0,1]=4 300 B8R1.5 ClC1=C(Br)C=CC=N1 B9483 [0,1,0,1,0,0|2,0,0]=4 301 B8R1.5 ClC1=C(Br)C=CN=C1 B3024 [0,1,0,1,0,0|2,0,0]=4 302 B8R1.5 ClC1=C(Br)C=NC=C1 B23333 [0,1,0,1,0,0|2,0,0]=4 303 B8R1.5 ClC1=C(Br)C=NC=C1 B5671 [0,1,0,1,0,0|2,0,0]=4 304 B8R1.5 ClC1=C(Cl)C=NC=C1 D40639 [0,1,0,1,0,0|2,0,0]=4 305 B8R1.5 ClC1=C(I)C=CC=C1 C39233 [0,1,0,1,0,0|1,0,1]=4 306 B8R1.5 ClC1=C(I)C=CC=N1 C3030 [0,1,0,1,0,0|2,0,0]=4 307 B8R1.5 ClC1=C(I)C=CN=C1 C40645 [0,1,0,1,0,0|2,0,0]=4 308 B8R1.5 ClC1=C(I)C=NC=C1 C26241 [0,1,0,1,0,0|2,0,0]=4 309 B8R1.5 ClC1=C(I)C=NC=C1 C40647 [0,1,0,1,0,0|2,0,0]=4 310 B8R1.5 ClC1=CC=CN=C1Br B40634 [0,1,0,1,0,0|2,0,0]=4 311 B8R1.5 ClC1=CC=CN=C1Cl D5123 [0,1,0,1,0,0|2,0,0]=4 312 B8R1.5 ClC1=CC=CN=C1I C25332 [0,1,0,1,0,0|2,0,0]=4 313 B8R1.5 FC1=C(Br)C=CC=C1 B42063 [0,1,0,1,0,0|1,0,1]=4 314 B8R1.5 FC1=C(Br)C=CC=N1 B2291 [0,1,0,1,0,0|2,0,0]=4 315 B8R1.5 FC1=C(Br)C=CN=C1 B7643 [0,1,0,1,0,0|2,0,0]=4 316 B8R1.5 FC1=C(Br)C=NC=C1 B4918 [0,1,0,1,0,0|2,0,0]=4 317 B8R1.5 FC1=C(Cl)C=CC=N1 C3434 [0,1,0,1,0,0|2,0,0]=4 318 B8R1.5 FC1=C(Cl)C=CN=C1 C22665 [0,1,0,1,0,0|2,0,0]=4 319 B8R1.5 FC1=C(Cl)C=CN=C1 C5574 [0,1,0,1,0,0|2,0,0]=4 320 B8R1.5 FC1=C(F)C=NC=C1 D36882 [0,1,0,1,0,0|2,0,0]=4 321 B8R1.5 FC1=C(I)C=CC=N1 F2381 [0,1,0,1,0,0|2,0,0]=4 322 B8R1.5 FC1=C(I)C=CN=C1 F12620 [0,1,0,1,0,0|2,0,0]=4 323 B8R1.5 FC1=CC=CN=C1Br B3502 [0,1,0,1,0,0|2,0,0]=4 324 B8R1.5 FC1=CC=CN=C1Cl C3353 [0,1,0,1,0,0|2,0,0]=4 325 B8R1.5 FC1=CC=CN=C1F D40648 [0,1,0,1,0,0|2,0,0]=4 326 B8R1.5 FC1=CC=CN=C1I F10819 [0,1,0,1,0,0|2,0,0]=4 327 B8R1.5 IC1=C(I)C=CC=C1 D38439 [0,1,0,1,0,0|1,0,1]=4 328 B8R1.5 NC1=C(Br)C=CC=N1 A12591 [0,1,0,1,0,0|2,0,0]=4 329 B8R1.5 NC1=C(Br)C=CN=C1 A8893 [0,1,0,1,0,0|2,0,0]=4 330 B8R1.5 NC1=C(Br)C=NC=C1 A40869 [0,1,0,1,0,0|2,0,0]=4 331 B8R1.5 NC1=C(Cl)C=CC=N1 A3433 [0,1,0,1,0,0|2,0,0]=4 332 B8R1.5 NC1=C(Cl)C=CN=C1 A22240 [0,1,0,1,0,0|2,0,0]=4 333 B8R1.5 NC1=C(Cl)C=NC=C1 A8881 [0,1,0,1,0,0|2,0,0]=4 334 B8R1.5 NC1=C(F)C=CC=C1 F66698 [0,1,0,1,0,0|1,0,1]=4 335 B8R1.5 NC1=C(F)C=CC=N1 A37908 [0,1,0,1,0,0|2,0,0]=4 336 B8R1.5 NC1=C(F)C=NC=C1 A2815 [0,1,0,1,0,0|2,0,0]=4 337 B8R1.5 NC1=C(I)C=CC=C1 K67831 [0,1,0,1,0,0|1,0,1]=4 338 B8R1.5 NC1=C(I)C=CC=N1 I0599 [0,1,0,1,0,0|2,0,0]=4 339 B8R1.5 NC1=C(I)C=CN=C1 I12632 [0,1,0,1,0,0|2,0,0]=4 340 B8R1.5 NC1=C(I)C=NC=C1 A3436 [0,1,0,1,0,0|2,0,0]=4 341 B8R1.5 NC1=C(N)C=NC=C1 P24217 [0,1,0,1,0,0|2,0,0]=4 342 B8R1.5 NC1=C(O)C=CC=N1 A31053 [0,1,0,1,0,0|1,0,1]=4 343 B8R1.5 NC1=C(O)C=CN=C1 A4768 [0,1,0,1,0,0|1,0,1]=4 344 B8R1.5 NC1=C(O)C=NC=C1 A38212 [0,1,0,1,0,0|1,0,1]=4 345 B8R1.5 NC1=C(O)C=NC=C1 A62454 [0,1,0,1,0,0|1,0,1]=4 346 B8R1.5 NC1=C(S)C=NC=C1 A21808 [0,1,0,1,0,0|1,1,0]=4 347 B8R1.5 NC1=CC=CN=C1Br A4535 [0,1,0,1,0,0|2,0,0]=4 348 B8R1.5 NC1=CC=CN=C1Cl C0716 [0,1,0,1,0,0|2,0,0]=4 349 B8R1.5 NC1=CC=CN=C1F F9484 [0,1,0,1,0,0|2,0,0]=4 350 B8R1.5 NC1=CC=CN=C1I K40887 [0,1,0,1,0,0|2,0,0]=4 351 B8R1.5 NC1=CC=CN=C1O A0666 [0,1,0,1,0,0|1,0,1]=4 352 B8R1.5 NC1=CC=CNC1=S A23408 [0,1,0,1,0,0|1,1,0]=4 353 B8R1.5 NC1=CN=CNC1=O A40131 [0,1,0,1,0,0|2,0,0]=4 354 B8R1.5 NC1=CNC=CC1=O A41025 [0,1,0,1,0,0|1,0,0]=3 355 B8R1.5 NC1=NC=CNC1=O A40130 [0,1,0,1,0,0|2,0,0]=4 356 B8R1.5 O=C1C=COC=C1O H23906 [0,1,0,1,0,0|1,0,0]=3 357 B8R1.5 O=C1CCCC=C1Br B3408 [0,1,0,1,0,0|0,0,2]=4 358 B8R1.5 O=C1NC=CC=C1Br B12634 [0,1,0,1,0,0|1,0,0]=3 359 B8R1.5 O=C1NC=CN=C1Cl C40043 [0,1,0,1,0,0|2,0,0]=4 360 B8R1.5 O=C1NC=NC=C1Cl C12601 [0,1,0,1,0,0|2,0,0]=4 361 B8R1.5 O=C1NC=NC=C1I I12600 [0,1,0,1,0,0|2,0,0]=4 362 B8R1.5 O=C1NC=NC=C1O H40075 [0,1,0,1,0,0|2,0,0]=4 363 B8R1.5 O=C1NC=NC=C1O H40320 [0,1,0,1,0,0|2,0,0]=4 364 B8R1.5 O=C1NN=CC=C1Cl C10571 [0,1,0,1,0,0|2,0,0]=4 365 B8R1.5 O=C1OC=CC=C1O H39075 [0,1,0,1,0,0|1,0,0]=3 366 B8R1.5 OC1=C(Br)C=CN=C1 B37993 [0,1,0,1,0,0|1,0,1]=4 367 B8R1.5 OC1=C(Cl)C=CC=N1 C40847 [0,1,0,1,0,0|1,0,1]=4 368 B8R1.5 OC1=C(Cl)C=CN=C1 C36961 [0,1,0,1,0,0|1,0,1]=4 369 B8R1.5 OC1=C(Cl)C=NC=C1 C39064 [0,1,0,1,0,0|1,0,1]=4 370 B8R1.5 OC1=C(F)C=CC=C1 F60817 [0,1,0,1,0,0|0,0,2]=4 371 B8R1.5 OC1=C(F)C=CC=N1 F40853 [0,1,0,1,0,0|1,0,1]=4 372 B8R1.5 OC1=C(F)C=NC=C1 F22449 [0,1,0,1,0,0|1,0,1]=4 373 B8R1.5 OC1=C(I)C=CC=C1 K68101 [0,1,0,1,0,0|0,0,2]=4 374 B8R1.5 OC1=C(I)C=CC=N1 K40856 [0,1,0,1,0,0|1,0,1]=4 375 B8R1.5 OC1=C(I)C=CN=C1 I38060 [0,1,0,1,0,0|1,0,1]=4 376 B8R1.5 OC1=C(I)C=NC=C1 K40857 [0,1,0,1,0,0|1,0,1]=4 377 B8R1.5 OC1=CC=CN=C1Br B12744 [0,1,0,1,0,0|1,0,1]=4 378 B8R1.5 OC1=CC=CN=C1Cl C10469 [0,1,0,1,0,0|1,0,1]=4 379 B8R1.5 OC1=CC=CN=C1F F40850 [0,1,0,1,0,0|1,0,1]=4 380 B8R1.5 OC1=CC=CN=C1I H23528 [0,1,0,1,0,0|1,0,1]=4 381 B8R1.5 SC1=C(Br)C=NC=C1 B67001 [0,1,0,1,0,0|1,1,0]=4 382 B8R1.8 CCCC1=CC=CS1 P43744 [0,1,0,1,0,0|0,1,1]=4 383 B8R1.8 CNCC1=CC=CS1 M43398 [0,1,0,1,0,0|0,1,1]=4 384 B8R1.8 NCCC1=CC=CS1 T12818 [0,1,0,1,0,0|0,1,1]=4 385 B8R1.8 OCCC1=CC=CS1 T12817 [0,1,0,1,0,0|0,1,1]=4 386 B8R1.11 BrCC1=C(Br)SC=C1 B7575 [0,1,0,1,0,0|2,0,0]=4 387 B8R1.11 CC1=C(C=O)N=CN1 M41031 [0,1,0,1,0,0|1,0,0]=3 388 B8R1.11 CC1=C(C=O)N=CS1 M41008 [0,1,0,1,0,0|1,0,0]=3 389 B8R1.11 CC1=C(C=O)NC=C1 M63105 [0,1,0,1,0,0|0,0,0]=2 390 B8R1.11 CC1=C(C=O)SC=C1 M39271 [0,1,0,1,0,0|0,0,0]=2 391 B8R1.11 CC1=C(C=O)SC=N1 M41007 [0,1,0,1,0,0|1,0,0]=3 392 B8R1.11 CC1=CSC=C1C=O M29934 [0,1,0,1,0,0|0,0,0]=2 393 B8R1.11 CC1=NNC=C1C=O M5838 [0,1,0,1,0,0|1,0,0]=3 394 B8R1.11 CN1C=CC=C1C#N M61385 [0,1,0,1,0,0|1,0,1]=4 395 B8R1.11 CN1C=CC=C1C=O M17296 [0,1,0,1,0,0|0,0,0]=2 396 B8R1.11 CN1C=CC=C1CN M41429 [0,1,0,1,0,0|1,0,1]=4 397 B8R1.11 CN1C=CN=C1C=O M14037 [0,1,0,1,0,0|1,0,0]=3 398 B8R1.11 CN1N=CC=C1C=O M12515 [0,1,0,1,0,0|1,0,0]=3 399 B8R1.11 CN1N=NC=C1C=O M40133 [0,1,0,1,0,0|2,0,0]=4 400 B8R1.11 CSC1=C(C)OC=C1 M43319 [0,1,0,1,0,0|1,1,0]=4 401 B8R1.11 ClCC1=C(Cl)SC=C1 C37492 [0,1,0,1,0,0|2,0,0]=4 402 B8R1.11 NCC1=C(Cl)C=CS1 A7919 [0,1,0,1,0,0|2,0,0]=4 403 B8R1.11 O=CC1=C(Br)C=CN1 B14575 [0,1,0,1,0,0|1,0,0]=3 404 B8R1.11 O=CC1=C(Br)C=CO1 B6471 [0,1,0,1,0,0|1,0,0]=3 405 B8R1.11 O=CC1=C(Br)C=CS1 B14081 [0,1,0,1,0,0|1,0,0]=3 406 B8R1.11 O=CC1=C(Br)NC=N1 B40040 [0,1,0,1,0,0|2,0,0]=4 407 B8R1.11 O=CC1=C(Br)SC=C1 B38048 [0,1,0,1,0,0|1,0,0]=3 408 B8R1.11 O=CC1=C(Cl)C=CN1 C14573 [0,1,0,1,0,0|1,0,0]=3 409 B8R1.11 O=CC1=C(Cl)C=CS1 C14086 [0,1,0,1,0,0|1,0,0]=3 410 B8R1.11 O=CC1=C(Cl)N=CS1 C40016 [0,1,0,1,0,0|2,0,0]=4 411 B8R1.11 O=CC1=C(Cl)SC=C1 C40693 [0,1,0,1,0,0|1,0,0]=3 412 B8R1.11 O=CC1=C(I)SC=C1 K40695 [0,1,0,1,0,0|1,0,0]=3 413 B8R1.11 O=CC1=CSC=C1Br B40692 [0,1,0,1,0,0|1,0,0]=3 414 B8R1.11 OCC1=C(Br)C=CS1 B14083 [0,1,0,1,0,0|2,0,0]=4 415 B8R1.11 OCC1=C(Br)SC=C1 B41017 [0,1,0,1,0,0|2,0,0]=4 416 B8R1.11 OCC1=C(Cl)C=CS1 C11289 [0,1,0,1,0,0|2,0,0]=4 417 B8R1.22 O=C1C=CCCCC1 C67890 [0,1,0,1,0,0|0,0,2]=4 418 B8R1.49 C1=CCCC=CCC1 B62320 [0,1,0,1,0,0|1,0,1]=4 419 B8R1.49 C1=CCCC=CCC1 B68003 [0,1,0,1,0,0|1,0,1]=4 420 B8R1.1 CC1=CC(C=O)=CS1 M29797 [0,1,0,1,0,0|1,0,0]=3 421 B8R1.1 CC1=CC(C=O)=NN1 M41030 [0,1,0,1,0,0|2,0,0]=4 422 B8R1.1 CC1=CC=C(C#N)N1 M32172 [0,1,0,1,0,0|1,0,1]=4 423 B8R1.1 CC1=CC=C(C#N)S1 M12843 [0,1,0,1,0,0|1,0,1]=4 424 B8R1.1 CC1=CC=C(C=O)N1 M43134 [0,1,0,1,0,0|0,0,0]=2 425 B8R1.1 CC1=CC=C(C=O)S1 M39272 [0,1,0,1,0,0|0,0,0]=2 426 B8R1.1 CC1=CC=C(CN)O1 M37131 [0,1,0,1,0,0|1,0,1]=4 427 B8R1.1 CC1=CC=C(CO)O1 M43304 [0,1,0,1,0,0|0,0,2]=4 428 B8R1.1 CC1=CN=C(C=O)S1 M19270 [0,1,0,1,0,0|1,0,0]=3 429 B8R1.1 CC1=COC(C=O)=C1 M13538 [0,1,0,1,0,0|1,0,0]=3 430 B8R1.1 CC1=COC(C=O)=N1 M12937 [0,1,0,1,0,0|1,0,0]=3 431 B8R1.1 CC1=CSC(C=O)=C1 M42959 [0,1,0,1,0,0|1,0,0]=3 432 B8R1.1 CC1=CSC(C=O)=N1 M14992 [0,1,0,1,0,0|1,0,0]=3 433 B8R1.1 CC1=NC(C=O)=CO1 M3278 [0,1,0,1,0,0|1,0,0]=3 434 B8R1.1 CC1=NC(C=O)=CS1 F2075 [0,1,0,1,0,0|1,0,0]=3 435 B8R1.1 CC1=NC(C=O)=NO1 M32392 [0,1,0,1,0,0|2,0,0]=4 436 B8R1.1 CC1=NC=C(C=O)S1 F2897 [0,1,0,1,0,0|1,0,0]=3 437 B8R1.1 CC1=NN=C(C=O)O1 M36607 [0,1,0,1,0,0|2,0,0]=4 438 B8R1.1 CC1=NOC(C=O)=N1 M36862 [0,1,0,1,0,0|2,0,0]=4 439 B8R1.1 CCC1=CC=C(C)S1 E43745 [0,1,0,1,0,0|0,1,1]=4 440 B8R1.1 CN1C=C(C=O)C=N1 M6127 [0,1,0,1,0,0|2,0,0]=4 441 B8R1.1 CN1C=CC(C=O)=N1 M22764 [0,1,0,1,0,0|1,0,0]=3 442 B8R1.1 CN1C=NC(C=O)=C1 M11287 [0,1,0,1,0,0|2,0,0]=4 443 B8R1.1 NC1=NC=C(C=O)S1 A2114 [0,1,0,1,0,0|2,0,0]=4 444 B8R1.1 NC1=NC=C(C=O)S1 A40321 [0,1,0,1,0,0|2,0,0]=4 445 B8R1.1 O=CC1=CC(Br)=CN1 B38751 [0,1,0,1,0,0|1,0,0]=3 446 B8R1.1 O=CC1=CC(Br)=CO1 B13537 [0,1,0,1,0,0|1,0,0]=3 447 B8R1.1 O=CC1=CC(Br)=CS1 B12758 [0,1,0,1,0,0|1,0,0]=3 448 B8R1.1 O=CC1=CC(Cl)=CN1 C14574 [0,1,0,1,0,0|1,0,0]=3 449 B8R1.1 O=CC1=CC(Cl)=CS1 C12489 [0,1,0,1,0,0|1,0,0]=3 450 B8R1.1 O=CC1=CC(I)=CN1 K40861 [0,1,0,1,0,0|1,0,0]=3 451 B8R1.1 O=CC1=CC(I)=CS1 K40696 [0,1,0,1,0,0|1,0,0]=3 452 B8R1.1 O=CC1=CC=C(Br)N1 B67724 [0,1,0,1,0,0|1,0,0]=3 453 B8R1.1 O=CC1=CC=C(Br)O1 B67849 [0,1,0,1,0,0|1,0,0]=3 454 B8R1.1 O=CC1=CC=C(Br)S1 B10476 [0,1,0,1,0,0|1,0,0]=3 455 B8R1.1 O=CC1=CC=C(Cl)O1 C38278 [0,1,0,1,0,0|1,0,0]=3 456 B8R1.1 O=CC1=CC=C(Cl)S1 C7717 [0,1,0,1,0,0|1,0,0]=3 457 B8R1.1 O=CC1=CN=C(Br)S1 B2119 [0,1,0,1,0,0|2,0,0]=4 458 B8R1.1 O=CC1=CN=C(Cl)S1 C5784 [0,1,0,1,0,0|2,0,0]=4 459 B8R1.1 O=CC1=CSC(Br)=C1 B12754 [0,1,0,1,0,0|1,0,1]=4 460 B8R1.1 O=CC1=CSC(Br)=N1 B2118 [0,1,0,1,0,0|2,0,0]=4 461 B8R1.1 O=CC1=CSC(Cl)=C1 C1739 [0,1,0,1,0,0|1,0,1]=4 462 B8R1.1 O=CC1=CSC(Cl)=N1 C2764 [0,1,0,1,0,0|2,0,0]=4 463 B8R1.1 O=CC1=NC(Br)=CS1 B2070 [0,1,0,1,0,0|2,0,0]=4 464 B8R1.1 O=CC1=NC=C(Br)S1 B2465 [0,1,0,1,0,0|2,0,0]=4 465 B8R1.1 O=CC1=NC=C(Cl)S1 C9512 [0,1,0,1,0,0|2,0,0]=4 466 B8R1.3 BrC1=CC=C(I)C=C1 B39232 [0,1,0,1,0,0|1,0,1]=4 467 B8R1.3 BrC1=CN=C(Br)C=C1 D4497 [0,1,0,1,0,0|2,0,0]=4 468 B8R1.3 BrC1=CN=C(I)C=C1 B1586 [0,1,0,1,0,0|2,0,0]=4 469 B8R1.3 BrC1=NC=C(I)C=C1 B12390 [0,1,0,1,0,0|2,0,0]=4 470 B8R1.3 CC1=CC=C(C)N=N1 D43182 [0,1,0,1,0,0|2,0,0]=4 471 B8R1.3 CC1=CC=C(I)C=C1 K68149 [0,1,0,1,0,0|1,0,0]=3 472 B8R1.3 CC1=CC=C(N)N=N1 A0340 [0,1,0,1,0,0|2,0,0]=4 473 B8R1.3 CC1=CC=C([Mg+])C=C1 M31731 [0,1,0,1,0,0|1,0,0]=3 474 B8R1.3 CC1=CN=C(Br)C=C1 B4672 [0,1,0,1,0,0|2,0,0]=4 475 B8R1.3 CC1=CN=C(Br)C=N1 B14614 [0,1,0,1,0,0|2,0,0]=4 476 B8R1.3 CC1=CN=C(Cl)C=C1 C21968 [0,1,0,1,0,0|2,0,0]=4 477 B8R1.3 CC1=CN=C(Cl)C=N1 C40876 [0,1,0,1,0,0|2,0,0]=4 478 B8R1.3 CC1=CN=C(F)C=C1 F22553 [0,1,0,1,0,0|2,0,0]=4 479 B8R1.3 CC1=CN=C(N)C=C1 M20542 [0,1,0,1,0,0|2,0,0]=4 480 B8R1.3 CC1=CN=C(N)C=N1 M14592 [0,1,0,1,0,0|2,0,0]=4 481 B8R1.3 CC1=CN=C(O)C=C1 M63706 [0,1,0,1,0,0|1,0,1]=4 482 B8R1.3 CC1=CNC(=O)C=C1 M68372 [0,1,0,1,0,0|1,0,0]=3 483 B8R1.3 CC1=CNC(=O)C=N1 M68091 [0,1,0,1,0,0|2,0,0]=4 484 B8R1.3 CC1=NC=C(Br)C=C1 B5402 [0,1,0,1,0,0|1,0,0]=3 485 B8R1.3 CC1=NC=C(Br)C=N1 B0659 [0,1,0,1,0,0|2,0,0]=4 486 B8R1.3 CC1=NC=C(Cl)C=C1 C42845 [0,1,0,1,0,0|1,0,0]=3 487 B8R1.3 CC1=NC=C(Cl)C=N1 C40879 [0,1,0,1,0,0|2,0,0]=4 488 B8R1.3 CC1=NC=C(F)C=C1 F1117 [0,1,0,1,0,0|1,0,0]=3 489 B8R1.3 CC1=NC=C(F)C=N1 F40883 [0,1,0,1,0,0|2,0,0]=4 490 B8R1.3 CC1=NC=C(I)C=C1 I36966 [0,1,0,1,0,0|1,0,0]=3 491 B8R1.3 CC1=NC=C(N)C=C1 A1121 [0,1,0,1,0,0|1,0,0]=3 492 B8R1.3 CC1=NC=C(N)C=N1 A10293 [0,1,0,1,0,0|2,0,0]=4 493 B8R1.3 CC1=NC=C(O)C=C1 H4553 [0,1,0,1,0,0|1,0,0]=3 494 B8R1.3 CC1=NC=C(O)C=N1 M23235 [0,1,0,1,0,0|2,0,0]=4 495 B8R1.3 CC1=NN=C(Br)C=C1 B10633 [0,1,0,1,0,0|2,0,0]=4 496 B8R1.3 CC1=NN=C(Cl)C=C1 C3219 [0,1,0,1,0,0|2,0,0]=4 497 B8R1.3 CC1=NN=C(I)C=C1 I10435 [0,1,0,1,0,0|2,0,0]=4 498 B8R1.3 CC1=NNC(=O)C=C1 M0242 [0,1,0,1,0,0|2,0,0]=4 499 B8R1.3 CC1=NNC(=O)C=C1 M25029 [0,1,0,1,0,0|2,0,0]=4 500 B8R1.3 CC1=NNC(=O)C=C1 M41309 [0,1,0,1,0,0|2,0,0]=4 501 B8R1.3 ClC1=CC=C(I)C=C1 C67848 [0,1,0,1,0,0|1,0,1]=4 502 B8R1.3 ClC1=CN=C(Br)C=C1 B4976 [0,1,0,1,0,0|2,0,0]=4 503 B8R1.3 ClC1=CN=C(Cl)C=C1 D4510 [0,1,0,1,0,0|2,0,0]=4 504 B8R1.3 ClC1=CN=C(I)C=C1 I4551 [0,1,0,1,0,0|2,0,0]=4 505 B8R1.3 ClC1=NC=C(Br)C=C1 B3973 [0,1,0,1,0,0|2,0,0]=4 506 B8R1.3 ClC1=NC=C(I)C=C1 C24918 [0,1,0,1,0,0|2,0,0]=4 507 B8R1.3 FC1=CC=C(Br)C=C1 B39231 [0,1,0,1,0,0|1,0,1]=4 508 B8R1.3 FC1=CC=C(I)C=C1 F39236 [0,1,0,1,0,0|1,0,1]=4 509 B8R1.3 FC1=CC=C(S)C=C1 F42373 [0,1,0,1,0,0|0,1,1]=4 510 B8R1.3 FC1=CC=C([Mg+])C=C1 F31733 [0,1,0,1,0,0|1,0,1]=4 511 B8R1.3 FC1=CN=C(Br)C=C1 B40635 [0,1,0,1,0,0|2,0,0]=4 512 B8R1.3 FC1=CN=C(Cl)C=C1 C40641 [0,1,0,1,0,0|2,0,0]=4 513 B8R1.3 FC1=CN=C(F)C=C1 D40649 [0,1,0,1,0,0|2,0,0]=4 514 B8R1.3 FC1=CN=C(I)C=C1 F38230 [0,1,0,1,0,0|2,0,0]=4 515 B8R1.3 FC1=NC=C(Br)C=C1 B4730 [0,1,0,1,0,0|2,0,0]=4 516 B8R1.3 FC1=NC=C(Cl)C=C1 C40644 [0,1,0,1,0,0|2,0,0]=4 517 B8R1.3 FC1=NC=C(I)C=C1 F40650 [0,1,0,1,0,0|2,0,0]=4 518 B8R1.3 IC1=CC=C(I)C=C1 D39237 [0,1,0,1,0,0|1,0,1]=4 519 B8R1.3 NC1=CC=C(I)C=C1 K68110 [0,1,0,1,0,0|1,0,1]=4 520 B8R1.3 NC1=CN=C(Br)C=C1 A4783 [0,1,0,1,0,0|2,0,0]=4 521 B8R1.3 NC1=CN=C(Cl)C=C1 C39174 [0,1,0,1,0,0|2,0,0]=4 522 B8R1.3 NC1=CN=C(F)C=C1 A12653 [0,1,0,1,0,0|2,0,0]=4 523 B8R1.3 NC1=CN=C(I)C=C1 A40889 [0,1,0,1,0,0|2,0,0]=4 524 B8R1.3 NC1=NC=C(Br)C=C1 A5382 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.3 NC1=NC=C(F)C=C1 A3607 [0,1,0,1,0,0|2,0,0]=4 526 B8R1.3 NC1=NC=C(I)C=C1 K4516 [0,1,0,1,0,0|2,0,0]=4 527 B8R1.3 NC1=NNC(=O)C=C1 A40132 [0,1,0,1,0,0|2,0,0]=4 528 B8R1.3 O=C1C=CC(Br)=NN1 B38928 [0,1,0,1,0,0|2,0,0]=4 529 B8R1.3 O=C1C=CC(Cl)=CN1 C68182 [0,1,0,1,0,0|1,0,0]=3 530 B8R1.3 O=C1C=CC(I)=CN1 K40860 [0,1,0,1,0,0|1,0,0]=3 531 B8R1.3 O=C1C=CC(O)=CN1 H67757 [0,1,0,1,0,0|1,0,0]=3 532 B8R1.3 O=C1N=CC(Cl)=CN1 C69555 [0,1,0,1,0,0|2,0,0]=4 533 B8R1.3 O=C1N=CC(F)=CN1 F68054 [0,1,0,1,0,0|2,0,0]=4 534 B8R1.3 O=C1N=CC(I)=CN1 K40045 [0,1,0,1,0,0|2,0,0]=4 535 B8R1.3 OC1=CC=C(F)C=C1 F68080 [0,1,0,1,0,0|0,0,2]=4 536 B8R1.3 OC1=CN=C(Br)C=C1 B0344 [0,1,0,1,0,0|2,0,0]=4 537 B8R1.3 OC1=CN=C(Cl)C=C1 C4788 [0,1,0,1,0,0|2,0,0]=4 538 B8R1.3 OC1=CN=C(F)C=C1 F5147 [0,1,0,1,0,0|2,0,0]=4 539 B8R1.3 OC1=NC=C(Br)C=C1 B39171 [0,1,0,1,0,0|1,0,1]=4 540 B8R1.3 OC1=NC=C(Br)C=C1 B39172 [0,1,0,1,0,0|1,0,1]=4 541 B8R1.3 OC1=NC=C(F)C=C1 F36674 [0,1,0,1,0,0|1,0,1]=4 542 B8R1.3 OC1=NC=C(I)C=C1 K40858 [0,1,0,1,0,0|1,0,1]=4 543 B8R1.3 SC1=CC=C(Br)C=C1 B60845 [0,1,0,1,0,0|0,1,1]=4 544 B8R1.3 SC1=CC=C(S)C=C1 B63577 [0,1,0,1,0,0|0,1,1]=4 545 B8R1.3 SC1=NC=C(Br)C=C1 B40822 [0,1,0,1,0,0|1,1,0]=4 546 B8R1.3 [Mg+]C1=CC=C(Cl)C=C1 C31752 [0,1,0,1,0,0|1,0,1]=4 547 B8R1.50 CN1C(=O)C=CC1=O M62371 [0,1,0,1,0,0|1,0,0]=3 548 B8R1.4 BrC1=CC(Br)=NC=C1 D2494 [0,1,0,1,0,0|2,0,0]=4 549 B8R1.4 BrC1=CC=CC(Br)=N1 D24616 [0,1,0,1,0,0|2,0,0]=4 550 B8R1.4 BrC1=CC=CC(I)=C1 B24425 [0,1,0,1,0,0|1,0,1]=4 551 B8R1.4 BrC1=CC=CC(I)=N1 B40637 [0,1,0,1,0,0|2,0,0]=4 552 B8R1.4 BrC1=NC=CC(I)=C1 B15186 [0,1,0,1,0,0|2,0,0]=4 553 B8R1.4 CC1=CC(=O)NC=N1 M41027 [0,1,0,1,0,0|2,0,0]=4 554 B8R1.4 CC1=CC(=O)NN=C1 M5789 [0,1,0,1,0,0|2,0,0]=4 555 B8R1.4 CC1=CC(=S)NC=N1 M41054 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.4 CC1=CC(Br)=CN=C1 B10806 [0,1,0,1,0,0|2,0,0]=4 557 B8R1.4 CC1=CC(Br)=NC=C1 B5404 [0,1,0,1,0,0|2,0,0]=4 558 B8R1.4 CC1=CC(Br)=NC=N1 B40871 [0,1,0,1,0,0|2,0,0]=4 559 B8R1.4 CC1=CC(C)=NC=N1 D7855 [0,1,0,1,0,0|2,0,0]=4 560 B8R1.4 CC1=CC(Cl)=CN=C1 C22076 [0,1,0,1,0,0|2,0,0]=4 561 B8R1.4 CC1=CC(Cl)=NC=C1 C4515 [0,1,0,1,0,0|2,0,0]=4 562 B8R1.4 CC1=CC(Cl)=NC=N1 C11796 [0,1,0,1,0,0|2,0,0]=4 563 B8R1.4 CC1=CC(F)=CN=C1 F42848 [0,1,0,1,0,0|2,0,0]=4 564 B8R1.4 CC1=CC(N)=NC=C1 M67573 [0,1,0,1,0,0|2,0,0]=4 565 B8R1.4 CC1=CC(N)=NC=N1 M8922 [0,1,0,1,0,0|2,0,0]=4 566 B8R1.4 CC1=CC(O)=CN=C1 H23648 [0,1,0,1,0,0|1,0,1]=4 567 B8R1.4 CC1=CC(O)=NC=C1 M18825 [0,1,0,1,0,0|1,0,1]=4 568 B8R1.4 CC1=CC=CC(=O)N1 M23064 [0,1,0,1,0,0|0,0,0]=2 569 B8R1.4 CC1=CC=CC(Br)=N1 B39267 [0,1,0,1,0,0|1,0,0]=3 570 B8R1.4 CC1=CC=CC(Cl)=N1 C4547 [0,1,0,1,0,0|1,0,0]=3 571 B8R1.4 CC1=CC=CC(F)=N1 F39268 [0,1,0,1,0,0|1,0,0]=3 572 B8R1.4 CC1=CC=CC(I)=C1 K68735 [0,1,0,1,0,0|1,0,0]=3 573 B8R1.4 CC1=CC=CC(I)=N1 K42850 [0,1,0,1,0,0|1,0,0]=3 574 B8R1.4 CC1=CC=CC(N)=N1 A13755 [0,1,0,1,0,0|1,0,0]=3 575 B8R1.4 CC1=CC=CC(S)=N1 M38177 [0,1,0,1,0,0|0,1,0]=3 576 B8R1.4 CC1=CC=CC([Mg+])=C1 M31730 [0,1,0,1,0,0|1,0,0]=3 577 B8R1.4 CC1=CC=NC(Br)=N1 B40870 [0,1,0,1,0,0|2,0,0]=4 578 B8R1.4 CC1=CC=NC(C)=N1 D43181 [0,1,0,1,0,0|2,0,0]=4 579 B8R1.4 CC1=CC=NC(Cl)=N1 C3497 [0,1,0,1,0,0|2,0,0]=4 580 B8R1.4 CC1=CC=NC(I)=N1 I37139 [0,1,0,1,0,0|2,0,0]=4 581 B8R1.4 CC1=CC=NC(N)=N1 M41141 [0,1,0,1,0,0|2,0,0]=4 582 B8R1.4 CC1=CC=NC(O)=N1 M68180 [0,1,0,1,0,0|1,0,1]=4 583 B8R1.4 CC1=CN=CC(Br)=N1 B38752 [0,1,0,1,0,0|2,0,0]=4 584 B8R1.4 CC1=CN=CC(C)=N1 D69480 [0,1,0,1,0,0|2,0,0]=4 585 B8R1.4 CC1=CN=CC(Cl)=N1 C37906 [0,1,0,1,0,0|2,0,0]=4 586 B8R1.4 CC1=CN=CC(N)=C1 A4718 [0,1,0,1,0,0|2,0,0]=4 587 B8R1.4 CC1=CN=CC(N)=N1 M41139 [0,1,0,1,0,0|2,0,0]=4 588 B8R1.4 CC1=CN=CC(O)=N1 M67557 [0,1,0,1,0,0|1,0,1]=4 589 B8R1.4 CC1=NC=CC(=O)N1 M41026 [0,1,0,1,0,0|1,0,0]=3 590 B8R1.4 CC1=NC=CC(Br)=C1 B1746 [0,1,0,1,0,0|1,0,0]=3 591 B8R1.4 CC1=NC=CC(Br)=N1 B32286 [0,1,0,1,0,0|2,0,0]=4 592 B8R1.4 CC1=NC=CC(Cl)=C1 C42842 [0,1,0,1,0,0|1,0,0]=3 593 B8R1.4 CC1=NC=CC(Cl)=N1 C11598 [0,1,0,1,0,0|2,0,0]=4 594 B8R1.4 CC1=NC=CC(F)=C1 F67675 [0,1,0,1,0,0|1,0,0]=3 595 B8R1.4 CC1=NC=CC(I)=C1 K42851 [0,1,0,1,0,0|1,0,0]=3 596 B8R1.4 CC1=NC=CC(N)=C1 A12847 [0,1,0,1,0,0|1,0,0]=3 597 B8R1.4 CC1=NC=CC(N)=N1 M9010 [0,1,0,1,0,0|2,0,0]=4 598 B8R1.4 CC1=NC=CC(O)=C1 H1019 [0,1,0,1,0,0|1,0,0]=3 599 B8R1.4 CC1=NC=CC(O)=N1 M69189 [0,1,0,1,0,0|1,0,1]=4 600 B8R1.4 ClC1=CC(Br)=NC=C1 B2615 [0,1,0,1,0,0|2,0,0]=4 601 B8R1.4 ClC1=CC(Cl)=NC=C1 D31097 [0,1,0,1,0,0|2,0,0]=4 602 B8R1.4 ClC1=CC(I)=NC=C1 C37780 [0,1,0,1,0,0|2,0,0]=4 603 B8R1.4 ClC1=CC=CC(Br)=C1 B68310 [0,1,0,1,0,0|1,0,1]=4 604 B8R1.4 ClC1=CC=CC(Br)=N1 B4770 [0,1,0,1,0,0|2,0,0]=4 605 B8R1.4 ClC1=CC=CC(Cl)=N1 D69309 [0,1,0,1,0,0|2,0,0]=4 606 B8R1.4 ClC1=CC=CC(I)=C1 C39234 [0,1,0,1,0,0|1,0,1]=4 607 B8R1.4 ClC1=CC=CC(I)=N1 C36686 [0,1,0,1,0,0|2,0,0]=4 608 B8R1.4 ClC1=NC=CC(Br)=C1 B2879 [0,1,0,1,0,0|2,0,0]=4 609 B8R1.4 ClC1=NC=CC(I)=C1 C2347 [0,1,0,1,0,0|2,0,0]=4 610 B8R1.4 FC1=CC(Br)=NC=C1 B4916 [0,1,0,1,0,0|2,0,0]=4 611 B8R1.4 FC1=CC(Cl)=NC=C1 C40640 [0,1,0,1,0,0|2,0,0]=4 612 B8R1.4 FC1=CC(F)=NC=C1 D12477 [0,1,0,1,0,0|2,0,0]=4 613 B8R1.4 FC1=CC=CC(Br)=N1 B2593 [0,1,0,1,0,0|2,0,0]=4 614 B8R1.4 FC1=CC=CC(Cl)=N1 C39168 [0,1,0,1,0,0|2,0,0]=4 615 B8R1.4 FC1=CC=CC(F)=N1 D5153 [0,1,0,1,0,0|2,0,0]=4 616 B8R1.4 FC1=CC=CC(I)=C1 F39235 [0,1,0,1,0,0|1,0,1]=4 617 B8R1.4 FC1=CC=CC([Mg+])=C1 F31732 [0,1,0,1,0,0|1,0,1]=4 618 B8R1.4 FC1=NC=CC(Br)=C1 B2295 [0,1,0,1,0,0|2,0,0]=4 619 B8R1.4 FC1=NC=CC(Cl)=C1 C40643 [0,1,0,1,0,0|2,0,0]=4 620 B8R1.4 FC1=NC=CC(I)=C1 F2382 [0,1,0,1,0,0|2,0,0]=4 621 B8R1.4 IC1=CC=CC(I)=C1 D36613 [0,1,0,1,0,0|1,0,1]=4 622 B8R1.4 NC1=CC(=O)CCC1 A9456 [0,1,0,1,0,0|0,0,2]=4 623 B8R1.4 NC1=CC(=O)NC=C1 A0052 [0,1,0,1,0,0|1,0,0]=3 624 B8R1.4 NC1=CC(=O)NN=C1 A12960 [0,1,0,1,0,0|2,0,0]=4 625 B8R1.4 NC1=CC(Br)=NC=C1 A2493 [0,1,0,1,0,0|2,0,0]=4 626 B8R1.4 NC1=CC(Cl)=NC=C1 A4859 [0,1,0,1,0,0|2,0,0]=4 627 B8R1.4 NC1=CC(F)=NC=C1 A10494 [0,1,0,1,0,0|2,0,0]=4 628 B8R1.4 NC1=CC(O)=NC=C1 A41022 [0,1,0,1,0,0|1,0,1]=4 629 B8R1.4 NC1=CC=CC(Br)=N1 A1106 [0,1,0,1,0,0|2,0,0]=4 630 B8R1.4 NC1=CC=CC(Cl)=N1 A1775 [0,1,0,1,0,0|2,0,0]=4 631 B8R1.4 NC1=CC=CC(F)=N1 A40882 [0,1,0,1,0,0|2,0,0]=4 632 B8R1.4 NC1=CC=CC(I)=C1 I37843 [0,1,0,1,0,0|1,0,1]=4 633 B8R1.4 NC1=CC=CC(I)=N1 K40888 [0,1,0,1,0,0|2,0,0]=4 634 B8R1.4 NC1=CC=CC(N)=N1 P69294 [0,1,0,1,0,0|2,0,0]=4 635 B8R1.4 NC1=CC=CC(O)=N1 A3198 [0,1,0,1,0,0|1,0,1]=4 636 B8R1.4 NC1=NC=CC(=O)N1 A7573 [0,1,0,1,0,0|2,0,0]=4 637 B8R1.4 NC1=NC=CC(Br)=C1 A4983 [0,1,0,1,0,0|2,0,0]=4 638 B8R1.4 NC1=NC=CC(Cl)=C1 A1518 [0,1,0,1,0,0|2,0,0]=4 639 B8R1.4 NC1=NC=CC(F)=C1 A2971 [0,1,0,1,0,0|2,0,0]=4 640 B8R1.4 NC1=NC=CC(I)=C1 A8059 [0,1,0,1,0,0|2,0,0]=4 641 B8R1.4 NC1=NC=CC(O)=C1 A41020 [0,1,0,1,0,0|2,0,0]=4 642 B8R1.4 O=C1C=C(Br)C=CN1 B11835 [0,1,0,1,0,0|1,0,0]=3 643 B8R1.4 O=C1C=C(Cl)C=NN1 C24776 [0,1,0,1,0,0|2,0,0]=4 644 B8R1.4 O=C1C=C(Cl)N=CN1 C23826 [0,1,0,1,0,0|2,0,0]=4 645 B8R1.4 O=C1C=C(F)C=CN1 F32104 [0,1,0,1,0,0|1,0,0]=3 646 B8R1.4 O=C1C=C(I)C=CN1 K40859 [0,1,0,1,0,0|1,0,0]=3 647 B8R1.4 O=C1C=C(I)C=NN1 I1957 [0,1,0,1,0,0|2,0,0]=4 648 B8R1.4 O=C1C=C(O)C=CN1 H69391 [0,1,0,1,0,0|1,0,0]=3 649 B8R1.4 O=C1C=CC=C(Br)N1 B13719 [0,1,0,1,0,0|1,0,0]=3 650 B8R1.4 O=C1C=CC=C(Cl)N1 C40846 [0,1,0,1,0,0|1,0,0]=3 651 B8R1.4 OC1=CC(Br)=NC=C1 B9469 [0,1,0,1,0,0|2,0,0]=4 652 B8R1.4 OC1=CC(Cl)=NC=C1 C4756 [0,1,0,1,0,0|2,0,0]=4 653 B8R1.4 OC1=CC(O)=NC=C1 P61417 [0,1,0,1,0,0|1,0,1]=4 654 B8R1.4 OC1=CC=CC(F)=C1 F69298 [0,1,0,1,0,0|0,0,2]=4 655 B8R1.4 OC1=CC=CC(F)=N1 F40852 [0,1,0,1,0,0|1,0,1]=4 656 B8R1.4 OC1=CC=CC(I)=C1 K42723 [0,1,0,1,0,0|0,0,2]=4 657 B8R1.4 OC1=NC=CC(Cl)=C1 C40848 [0,1,0,1,0,0|1,0,1]=4 658 B8R1.4 [Mg+]C1=CC=CC(Cl)=C1 C31751 [0,1,0,1,0,0|1,0,1]=4 659 B8R1.7 CC(=O)C1=CC=CN1 P68619 [0,1,0,1,0,0|1,0,0]=3 660 B8R1.7 CC(=O)C1=CC=CS1 A69304 [0,1,0,1,0,0|0,1,0]=3 661 B8R1.7 CC(=O)C1=CC=NN1 P61226 [0,1,0,1,0,0|2,0,0]=4 662 B8R1.7 CC(=O)C1=CC=NO1 K40990 [0,1,0,1,0,0|1,0,1]=4 663 B8R1.7 CC(=O)C1=CNC=C1 A37548 [0,1,0,1,0,0|1,0,1]=4 664 B8R1.7 CC(=O)C1=CNC=N1 A41019 [0,1,0,1,0,0|2,0,0]=4 665 B8R1.7 CC(=O)C1=CSC=C1 A12828 [0,1,0,1,0,0|1,0,1]=4 666 B8R1.7 CC(=O)C1=CSC=N1 T41006 [0,1,0,1,0,0|2,0,0]=4 667 B8R1.7 CC(=O)C1=NC=CN1 K67604 [0,1,0,1,0,0|2,0,0]=4 668 B8R1.7 CC(=O)C1=NC=CS1 A22587 [0,1,0,1,0,0|1,1,0]=4 669 B8R1.7 CC(=O)C1=NOC=C1 K40989 [0,1,0,1,0,0|2,0,0]=4 670 B8R1.7 CC(C)C1=CC=CO1 P43710 [0,1,0,1,0,0|0,0,2]=4 671 B8R1.7 C[C@@H](N)C1=CC=CS1 T43397 [0,1,0,1,0,0|0,1,1]=4 672 B8R1.7 C[C@@H](O)C1=CC=CO1 F43302 [0,1,0,1,0,0|0,0,2]=4 673 B8R1.7 C[C@H](N)C1=CC=CS1 T43555 [0,1,0,1,0,0|0,1,1]=4 674 B8R1.7 NC(=O)C1=COC=N1 X40074 [0,1,0,1,0,0|2,0,0]=4 675 B8R1.7 NC(=O)C1=NC=CO1 X26086 [0,1,0,1,0,0|2,0,0]=4 676 B8R1.7 NC(=O)C1=NC=CS1 T61005 [0,1,0,1,0,0|2,0,0]=4 677 B8R1.7 NC(=O)C1=NNC=C1 P67746 [0,1,0,1,0,0|2,0,0]=4 678 B8R1.7 NC(=S)C1=CC=CS1 T41010 [0,1,0,1,0,0|1,1,0]=4 679 B8R1.7 O=C(Cl)C1=CC=CS1 T10056 [0,1,0,1,0,0|1,0,0]=3 680 B8R1.7 O=C(O)C1=CC=CN1 P24658 [0,1,0,1,0,0|1,0,0]=3 681 B8R1.7 O=C(O)C1=CC=CO1 F38499 [0,1,0,1,0,0|1,0,0]=3 682 B8R1.7 O=C(O)C1=CC=CS1 T69312 [0,1,0,1,0,0|1,0,0]=3 683 B8R1.7 O=C(O)C1=CC=NO1 K40064 [0,1,0,1,0,0|2,0,0]=4 684 B8R1.7 O=C(O)C1=CC=NS1 T40063 [0,1,0,1,0,0|2,0,0]=4 685 B8R1.7 O=C(O)C1=CCCC1 C43305 [0,1,0,1,0,0|0,0,2]=4 686 B8R1.7 O=C(O)C1=CN=CO1 O9363 [0,1,0,1,0,0|2,0,0]=4 687 B8R1.7 O=C(O)C1=CN=CS1 T2164 [0,1,0,1,0,0|2,0,0]=4 688 B8R1.7 O=C(O)C1=COC=C1 F14351 [0,1,0,1,0,0|1,0,1]=4 689 B8R1.7 O=C(O)C1=COC=N1 X9342 [0,1,0,1,0,0|2,0,0]=4 690 B8R1.7 O=C(O)C1=COCC1 D8190 [0,1,0,1,0,0|1,0,1]=4 691 B8R1.7 O=C(O)C1=CSC=C1 T12825 [0,1,0,1,0,0|1,0,1]=4 692 B8R1.7 O=C(O)C1=CSC=N1 T2163 [0,1,0,1,0,0|2,0,0]=4 693 B8R1.7 O=C(O)C1=NC=CN1 I37951 [0,1,0,1,0,0|2,0,0]=4 694 B8R1.7 O=C(O)C1=NC=CS1 T9224 [0,1,0,1,0,0|2,0,0]=4 695 B8R1.7 O=C(O)C1=NNC=C1 P9459 [0,1,0,1,0,0|2,0,0]=4 696 B8R1.7 O=C(O)C1=NOC=C1 I12360 [0,1,0,1,0,0|2,0,0]=4 697 B8R1.7 O=C(O)C1=NSC=C1 I6110 [0,1,0,1,0,0|2,0,0]=4 698 B8R1.7 O=C(O)C1CC=CC1 C11537 [0,1,0,1,0,0|0,0,2]=4 699 B8R1.7 O=C([O-])C1=CC=CS1 C2751 [0,1,0,1,0,0|1,0,0]=3 700 B8R1.7 O=C([O-])C1=CC=CS1 C41403 [0,1,0,1,0,0|1,0,0]=3 701 B8R1.7 O=C([O-])C1=NC=CO1 S40296 [0,1,0,1,0,0|2,0,0]=4 702 B8R1.34 O=C(O)C=C1CCC1 C10691 [0,1,0,1,0,0|0,0,2]=4 703 B8R1.35 O=C(O)\C=C\C1CC1 C29885 [0,1,0,1,0,0|0,0,2]=4 704 B8R1.18 CC1=C(Br)SC(Br)=C1 D40697 [0,1,0,1,0,0|2,0,0]=4 705 B8R1.18 CC1=C(Cl)SC(Cl)=C1 D40698 [0,1,0,1,0,0|2,0,0]=4 706 B8R1.18 CC1=CC(=O)OC1=O C60582 [0,1,0,1,0,0|1,0,0]=3 707 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [0,1,0,1,0,0|1,0,1]=4 708 B8R1.18 CN1SC(Cl)=CC1=O C69553 [0,1,0,1,0,0|2,0,0]=4 709 B8R1.18 O=C1C=C(Br)C(=O)O1 B69515 [0,1,0,1,0,0|2,0,0]=4