0 B8R1.11 CC1=C(C=O)N=CN1 M41031 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.11 CC1=C(C=O)N=CS1 M41008 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.11 CC1=C(C=O)NC=C1 M63105 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.11 CC1=C(C=O)SC=C1 M39271 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.11 CC1=C(C=O)SC=N1 M41007 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.11 CC1=CSC=C1C=O M29934 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.11 CC1=NNC=C1C=O M5838 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.11 CCC1=NC=CN1C E46632 [0,0,0,0,0,0|2,0,1]=3 8 B8R1.11 CN1C=CC=C1C#N M61385 [0,0,0,0,0,0|1,0,1]=2 9 B8R1.11 CN1C=CC=C1C=O M17296 [0,0,0,0,0,0|0,0,0]=0 10 B8R1.11 CN1C=CC=C1CN M41429 [0,0,0,0,0,0|1,0,1]=2 11 B8R1.11 CN1C=CN=C1C#N M0676 [0,0,0,0,0,0|2,0,1]=3 12 B8R1.11 CN1C=CN=C1C=O M14037 [0,0,0,0,0,0|1,0,0]=1 13 B8R1.11 CN1C=CN=C1CCl C41129 [0,0,0,0,0,0|2,0,1]=3 14 B8R1.11 CN1C=CN=C1CCl C41132 [0,0,0,0,0,0|2,0,1]=3 15 B8R1.11 CN1C=CN=C1CN A13925 [0,0,0,0,0,0|2,0,1]=3 16 B8R1.11 CN1C=CN=C1CO M41198 [0,0,0,0,0,0|1,0,2]=3 17 B8R1.11 CN1C=NC=C1C#N M11288 [0,0,0,0,0,0|2,0,1]=3 18 B8R1.11 CN1C=NC=C1CN M1713 [0,0,0,0,0,0|2,0,1]=3 19 B8R1.11 CN1C=NC=C1CO H14300 [0,0,0,0,0,0|1,0,2]=3 20 B8R1.11 CN1C=NN=C1CO M40222 [0,0,0,0,0,0|2,0,2]=4 21 B8R1.11 CN1N=CC=C1C#N M12750 [0,0,0,0,0,0|2,0,1]=3 22 B8R1.11 CN1N=CC=C1C=O M12515 [0,0,0,0,0,0|1,0,0]=1 23 B8R1.11 CN1N=CC=C1CCl C41130 [0,0,0,0,0,0|2,0,1]=3 24 B8R1.11 CN1N=CC=C1CN M9954 [0,0,0,0,0,0|2,0,1]=3 25 B8R1.11 CN1N=NC=C1C=O M40133 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.11 CSC1=C(C)OC=C1 M43319 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.11 N#CC1=CC=CN1N A10503 [0,0,0,0,0,0|2,0,1]=3 28 B8R1.11 O=CC1=C(Br)C=CN1 B14575 [0,0,0,0,0,0|3,0,0]=3 29 B8R1.11 O=CC1=C(Br)C=CO1 B6471 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.11 O=CC1=C(Br)C=CS1 B14081 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.11 O=CC1=C(Br)NC=N1 B40040 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.11 O=CC1=C(Br)SC=C1 B38048 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.11 O=CC1=C(Cl)C=CN1 C14573 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.11 O=CC1=C(Cl)C=CS1 C14086 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.11 O=CC1=C(Cl)N=CS1 C40016 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.11 O=CC1=C(Cl)SC=C1 C40693 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.11 O=CC1=C(I)SC=C1 K40695 [0,0,0,0,0,0|3,0,0]=3 38 B8R1.11 O=CC1=CSC=C1Br B40692 [0,0,0,0,0,0|3,0,0]=3 39 B7R1.1 BrCC1=NC=CN1 B40117 [1,0,0,0,0,0|2,0,1]=4 40 B7R1.1 C#CC1=CC=CS1 E42371 [1,0,0,0,0,0|2,0,1]=4 41 B7R1.1 C=CC1=CC=CS1 V38168 [1,0,0,0,0,0|2,0,0]=3 42 B7R1.1 C=CC1=NC=CS1 V41009 [1,0,0,0,0,0|2,0,1]=4 43 B7R1.1 CCC1=NC=CN1 E68629 [1,0,0,0,0,0|2,0,1]=4 44 B7R1.1 COC1=CC=CS1 M41123 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.1 N#CC1=CC=CN1 P0691 [1,0,0,0,0,0|1,0,1]=3 46 B7R1.1 N#CC1=CC=CO1 F40652 [1,0,0,0,0,0|2,0,1]=4 47 B7R1.1 N#CC1=CC=CS1 T40685 [1,0,0,0,0,0|2,0,1]=4 48 B7R1.1 N#CC1=NC=CN1 I1797 [1,0,0,0,0,0|2,0,1]=4 49 B7R1.1 N#CC1=NC=CN1 I7356 [1,0,0,0,0,0|2,0,1]=4 50 B7R1.1 NCC1=CC=CN1 P41359 [1,0,0,0,0,0|1,0,1]=3 51 B7R1.1 NCC1=CC=CS1 A12813 [1,0,0,0,0,0|2,0,1]=4 52 B7R1.1 NCC1=CN=CN1 A69377 [1,0,0,0,0,0|2,0,1]=4 53 B7R1.1 NCC1=NC=CN1 A14237 [1,0,0,0,0,0|2,0,1]=4 54 B7R1.1 NCC1=NC=CN1 K40331 [1,0,0,0,0,0|2,0,1]=4 55 B7R1.1 O=CC1=CC=CN1 P64891 [1,0,0,0,0,0|0,0,0]=1 56 B7R1.1 O=CC1=CC=CS1 T68614 [1,0,0,0,0,0|1,0,0]=2 57 B7R1.1 O=CC1=CC=NO1 K40060 [1,0,0,0,0,0|2,0,0]=3 58 B7R1.1 O=CC1=CCCC1 C69466 [1,0,0,0,0,0|1,0,2]=4 59 B7R1.1 O=CC1=CN=CO1 X11928 [1,0,0,0,0,0|2,0,0]=3 60 B7R1.1 O=CC1=CN=CS1 T2161 [1,0,0,0,0,0|2,0,0]=3 61 B7R1.1 O=CC1=CNC=C1 P25022 [1,0,0,0,0,0|2,0,0]=3 62 B7R1.1 O=CC1=CNN=C1 P0675 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.1 O=CC1=CNN=C1 P7759 [1,0,0,0,0,0|3,0,0]=4 64 B7R1.1 O=CC1=COC=C1 F65465 [1,0,0,0,0,0|2,0,0]=3 65 B7R1.1 O=CC1=CSC=C1 T12697 [1,0,0,0,0,0|2,0,0]=3 66 B7R1.1 O=CC1=CSC=N1 T2159 [1,0,0,0,0,0|1,0,1]=3 67 B7R1.1 O=CC1=NC=CN1 F2135 [1,0,0,0,0,0|1,0,0]=2 68 B7R1.1 O=CC1=NC=CS1 T2877 [1,0,0,0,0,0|1,0,1]=3 69 B7R1.1 O=CC1=NNC=C1 P23454 [1,0,0,0,0,0|1,0,1]=3 70 B7R1.1 O=CC1=NOC=C1 I0114 [1,0,0,0,0,0|1,0,1]=3 71 B7R1.1 OCC1=CC=CS1 T12815 [1,0,0,0,0,0|1,0,2]=4 72 B7R1.1 OCC1=CN=CN1 I14077 [1,0,0,0,0,0|1,0,2]=4 73 B7R1.1 OCC1=NC=CN1 I38716 [1,0,0,0,0,0|1,0,2]=4 74 B7R1.4 CC1=C(Br)SC=C1 B12699 [1,0,0,0,0,0|3,0,0]=4 75 B7R1.4 CC1=C(Cl)SC=C1 C39173 [1,0,0,0,0,0|3,0,0]=4 76 B7R1.4 CC1=CC=NN1C D3267 [1,0,0,0,0,0|1,0,1]=3 77 B7R1.4 CC1=CNC=C1C D12050 [1,0,0,0,0,0|2,0,1]=4 78 B7R1.4 CC1=CSC=C1Br B40866 [1,0,0,0,0,0|3,0,0]=4 79 B7R1.4 CN1C=CN=C1Br B9674 [1,0,0,0,0,0|2,0,0]=3 80 B7R1.4 CN1C=CN=C1Cl C3018 [1,0,0,0,0,0|2,0,0]=3 81 B7R1.4 CN1C=CN=C1I I2903 [1,0,0,0,0,0|2,0,0]=3 82 B7R1.4 CN1C=CN=C1N M40330 [1,0,0,0,0,0|2,0,0]=3 83 B7R1.4 CN1C=CN=C1N M67646 [1,0,0,0,0,0|2,0,0]=3 84 B7R1.4 CN1C=NC=C1Br B2463 [1,0,0,0,0,0|2,0,0]=3 85 B7R1.4 CN1C=NC=C1Cl C40118 [1,0,0,0,0,0|2,0,0]=3 86 B7R1.4 CN1C=NC=C1I K2147 [1,0,0,0,0,0|2,0,0]=3 87 B7R1.4 CN1C=NC=C1N M38381 [1,0,0,0,0,0|2,0,0]=3 88 B7R1.4 CN1C=NN=C1Br B21699 [1,0,0,0,0,0|3,0,0]=4 89 B7R1.4 CN1CCNC1=O M40241 [1,0,0,0,0,0|1,0,2]=4 90 B7R1.4 CN1N=CC=C1I M9757 [1,0,0,0,0,0|2,0,0]=3 91 B7R1.4 CN1N=CC=C1N M12745 [1,0,0,0,0,0|2,0,0]=3 92 B7R1.4 CN1N=CC=C1O M23117 [1,0,0,0,0,0|1,0,1]=3 93 B7R1.4 CN1N=CCC1=O M40183 [1,0,0,0,0,0|1,0,1]=3 94 B7R1.4 CN1N=CN=C1Br B21698 [1,0,0,0,0,0|3,0,0]=4 95 B7R1.4 CN1NC=CC1=O M40184 [1,0,0,0,0,0|1,0,0]=2 96 B9R1.14 CCN1C=CN=C1C=O E43212 [0,1,0,0,0,0|1,0,0]=2 97 B9R1.14 CCN1C=NC=C1C=O E43539 [0,1,0,0,0,0|1,0,0]=2 98 B9R1.14 COC1=C(C=O)C=CS1 M29841 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.14 COC1=C(C=O)OC=C1 M6472 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.14 N#CC1=C(C=O)NC=C1 F42088 [0,1,0,0,0,0|2,0,1]=4 101 B9R1.14 O=CC1=C(C=O)SC=C1 T42326 [0,1,0,0,0,0|2,0,1]=4 102 B9R1.14 O=CC1=CSC=C1C=O T37260 [0,1,0,0,0,0|2,0,1]=4 103 B9R1.22 CC1=C(C=O)N=C(N)S1 A41053 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.22 CC1=C(C=O)SC(Br)=N1 B40845 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.22 CC1=CC(C)=C(C=O)N1 D37937 [0,1,0,0,0,0|2,0,0]=3 106 B9R1.22 CC1=NC(C)=C(C=O)N1 D39065 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.22 CC1=NN(C)C(C=O)=C1 D3606 [0,1,0,0,0,0|1,0,0]=2 108 B9R1.22 CC1=NN(C)C(CCl)=C1 C1040 [0,1,0,0,0,0|2,0,1]=4 109 B9R1.22 CC1=NN(C)C(CO)=C1 D3957 [0,1,0,0,0,0|1,0,2]=4 110 B9R1.22 CC1=NN(C)C=C1C=O D9711 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.22 N#CC1=CC(Br)=CN1N A12873 [0,1,0,0,0,0|2,0,1]=4 112 B9R1.22 O=CC1=C(Cl)SC(Cl)=C1 D40556 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.27 CC1=C(C=O)N(C)C=N1 D36814 [0,1,0,0,0,0|1,0,0]=2 114 B9R1.27 CC1=NOC(C)=C1C=O D24190 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.27 CN1N=CC(Br)=C1C#N B40786 [0,1,0,0,0,0|2,0,1]=4 116 B9R1.27 CN1N=CC(I)=C1C=O K40948 [0,1,0,0,0,0|1,0,0]=2 117 B9R1.41 CC(=O)C1=C(C)N=CS1 M63978 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.41 CC(=O)C1=C(C)SC=N1 M43176 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.41 CC(=O)C1=CN=CN1C M43213 [0,1,0,0,0,0|1,0,0]=2 120 B9R1.41 CC(=O)C1=CNC=C1C M67633 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.41 CC(=O)C1=NC=CN1C A1591 [0,1,0,0,0,0|1,0,0]=2 122 B9R1.41 CC1=C(C(=O)Cl)C=NO1 M2623 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.41 CC1=C(C(=O)O)C=CN1 M39104 [0,1,0,0,0,0|2,0,0]=3 124 B9R1.41 CC1=C(C(=O)O)C=CO1 M63194 [0,1,0,0,0,0|2,0,0]=3 125 B9R1.41 CC1=C(C(=O)O)C=CS1 M36640 [0,1,0,0,0,0|2,0,0]=3 126 B9R1.41 CC1=C(C(=O)O)C=NO1 M2622 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.41 CC1=C(C(=O)O)N=CO1 M3158 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.41 CC1=C(C(=O)O)N=CS1 M3491 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.41 CC1=C(C(=O)O)NC=C1 M43146 [0,1,0,0,0,0|2,0,0]=3 130 B9R1.41 CC1=C(C(=O)O)OC=C1 M42945 [0,1,0,0,0,0|2,0,0]=3 131 B9R1.41 CC1=C(C(=O)O)OC=N1 M38000 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.41 CC1=C(C(=O)O)ON=C1 M40999 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.41 CC1=C(C(=O)O)SC=C1 M42942 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.41 CC1=C(C(=O)O)SC=N1 M67956 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.41 CC1=CNN=C1C(=O)O M41036 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.41 CC1=CSC=C1C(=O)O M25374 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.41 CC1=NNC=C1C(=O)O M9647 [0,1,0,0,0,0|3,0,0]=4 138 B9R1.41 CC1=NOC=C1C(=O)O M21771 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.41 CN1C=CC=C1C(=O)O M68591 [0,1,0,0,0,0|0,0,0]=1 140 B9R1.41 CN1C=CN=C1C(=N)N M0674 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.41 CN1C=CN=C1C(=O)O M12222 [0,1,0,0,0,0|1,0,0]=2 142 B9R1.41 CN1C=NC=C1C(=O)O M2857 [0,1,0,0,0,0|1,0,0]=2 143 B9R1.41 CN1C=NC=C1[N+](=O)[O-] M40135 [0,1,0,0,0,0|2,0,0]=3 144 B9R1.41 CN1N=CC=C1B(O)O M0161 [0,1,0,0,0,0|2,0,1]=4 145 B9R1.41 CN1N=CC=C1C(=O)O M3734 [0,1,0,0,0,0|1,0,0]=2 146 B9R1.41 CN1N=NC=C1C(=O)O M40142 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.41 NC(=O)C1=C(N)SC=C1 A41049 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.41 NC(=O)C1=CC=CN1N A5122 [0,1,0,0,0,0|1,0,0]=2 149 B9R1.41 NC(=O)C1=CSC=C1Br B40842 [0,1,0,0,0,0|3,0,0]=4 150 B9R1.41 O=C(O)C1=C(Br)C=CO1 B40689 [0,1,0,0,0,0|3,0,0]=4 151 B9R1.41 O=C(O)C1=C(Br)C=CS1 B10327 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.41 O=C(O)C1=C(Br)SC=C1 B37969 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.41 O=C(O)C1=C(Cl)C=CS1 C12482 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.41 O=C(O)C1=C(Cl)SC=C1 C40686 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.41 O=C(O)C1=C(F)C=CS1 F40687 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.41 O=C(O)C1=C(O)C=CS1 H40863 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.41 O=C(O)C1=CSC=C1Br B11526 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.132 CC1=CC=C(CN)N1C A13529 [0,1,0,0,0,0|1,0,1]=3 159 B9R1.132 CC1=CNC(C=O)=C1C D12049 [0,1,0,0,0,0|2,0,0]=3 160 B9R1.132 CC1=NC=C(C=O)N1C D61627 [0,1,0,0,0,0|1,0,0]=2 161 B9R1.132 CN1C(Br)=CN=C1C=O B40925 [0,1,0,0,0,0|1,0,0]=2 162 B9R1.132 CN1C(Cl)=CN=C1CO C41136 [0,1,0,0,0,0|1,0,2]=4 163 B9R2.3 C1=CN2CCCC2=N1 D63557 [0,0,0,1,0,0|2,0,1]=4 164 B9R2.3 C1=CN2CCN=C2N1 D62381 [0,0,0,1,0,0|3,0,0]=4 165 B9R2.3 C1=NN2CCCC2=C1 D16430 [0,0,0,1,0,0|2,0,1]=4 166 B9R1.2 C#CC1=CC(C)=CC=C1 E51331 [0,0,0,0,0,1|2,0,1]=4 167 B9R1.2 C#CC1=NC(C)=CC=C1 E13754 [0,0,0,0,0,1|2,0,1]=4 168 B9R1.2 C=CC1=CC=CC(Br)=C1 B36635 [0,0,0,0,0,1|3,0,0]=4 169 B9R1.2 C=CC1=CC=CC(N)=C1 V49171 [0,0,0,0,0,1|3,0,0]=4 170 B9R1.2 C=CC1=NC(C)=CC=C1 M16640 [0,0,0,0,0,1|2,0,0]=3 171 B9R1.2 CC1=CC(C=O)=CN=C1 M12908 [0,0,0,0,0,1|2,0,0]=3 172 B9R1.2 CC1=CC(C=O)=NC=C1 M3027 [0,0,0,0,0,1|2,0,0]=3 173 B9R1.2 CC1=CC=CC(C#N)=N1 C7796 [0,0,0,0,0,1|2,0,1]=4 174 B9R1.2 CC1=CC=CC(C=O)=N1 M67935 [0,0,0,0,0,1|1,0,0]=2 175 B9R1.2 CC1=CC=CC(CBr)=N1 B46087 [0,0,0,0,0,1|2,0,1]=4 176 B9R1.2 CC1=CC=CC(CCl)=N1 C46103 [0,0,0,0,0,1|2,0,1]=4 177 B9R1.2 CC1=CC=CC(CN)=C1 M37355 [0,0,0,0,0,1|2,0,1]=4 178 B9R1.2 CC1=CC=CC(CN)=N1 M24786 [0,0,0,0,0,1|2,0,1]=4 179 B9R1.2 CC1=CC=CC(CN)=N1 M63579 [0,0,0,0,0,1|2,0,1]=4 180 B9R1.2 CC1=CC=CC(CO)=N1 M46384 [0,0,0,0,0,1|1,0,2]=4 181 B9R1.2 CC1=CC=CC(NN)=C1 M46458 [0,0,0,0,0,1|3,0,0]=4 182 B9R1.2 CC1=CC=CC(NN)=N1 H69493 [0,0,0,0,0,1|3,0,0]=4 183 B9R1.2 CC1=CC=NC(C=O)=N1 M14427 [0,0,0,0,0,1|2,0,0]=3 184 B9R1.2 CC1=CN=CC(C=O)=N1 M16928 [0,0,0,0,0,1|2,0,0]=3 185 B9R1.2 CC1=NC=CC(C=O)=C1 M36797 [0,0,0,0,0,1|2,0,0]=3 186 B9R1.2 CC1=NC=CC(C=O)=N1 M42771 [0,0,0,0,0,1|2,0,0]=3 187 B9R1.2 CNC1=CC(C)=CC=C1 D46861 [0,0,0,0,0,1|3,0,0]=4 188 B9R1.2 CNC1=NC(C)=CC=C1 D43615 [0,0,0,0,0,1|3,0,0]=4 189 B9R1.2 COC1=NC(C)=CC=C1 M46380 [0,0,0,0,0,1|3,0,0]=4 190 B9R1.2 NC1=CC(C=O)=NC=C1 A37575 [0,0,0,0,0,1|3,0,0]=4 191 B9R1.2 NC1=CC=CC(C=O)=C1 A46548 [0,0,0,0,0,1|2,0,0]=3 192 B9R1.2 O=CC1=CC(Br)=CN=C1 B3012 [0,0,0,0,0,1|3,0,0]=4 193 B9R1.2 O=CC1=CC(Br)=NC=C1 B2598 [0,0,0,0,0,1|3,0,0]=4 194 B9R1.2 O=CC1=CC(Cl)=CN=C1 C15036 [0,0,0,0,0,1|3,0,0]=4 195 B9R1.2 O=CC1=CC(Cl)=NC=C1 C0408 [0,0,0,0,0,1|3,0,0]=4 196 B9R1.2 O=CC1=CC(F)=CN=C1 F15543 [0,0,0,0,0,1|3,0,0]=4 197 B9R1.2 O=CC1=CC(F)=NC=C1 F2753 [0,0,0,0,0,1|3,0,0]=4 198 B9R1.2 O=CC1=CC(O)=CC=C1 H15969 [0,0,0,0,0,1|2,0,0]=3 199 B9R1.2 O=CC1=CC(O)=NC=C1 H42599 [0,0,0,0,0,1|3,0,0]=4 200 B9R1.2 O=CC1=CC=CC(Br)=C1 B68146 [0,0,0,0,0,1|2,0,0]=3 201 B9R1.2 O=CC1=CC=CC(Br)=N1 B0253 [0,0,0,0,0,1|2,0,0]=3 202 B9R1.2 O=CC1=CC=CC(Cl)=C1 C69283 [0,0,0,0,0,1|2,0,0]=3 203 B9R1.2 O=CC1=CC=CC(Cl)=N1 C42296 [0,0,0,0,0,1|2,0,0]=3 204 B9R1.2 O=CC1=CC=CC(F)=C1 F45149 [0,0,0,0,0,1|2,0,0]=3 205 B9R1.2 O=CC1=CC=CC(F)=N1 F42303 [0,0,0,0,0,1|2,0,0]=3 206 B9R1.2 O=CC1=CC=CC(I)=C1 K45152 [0,0,0,0,0,1|2,0,0]=3 207 B9R1.2 O=CC1=CC=NC(Cl)=N1 C14545 [0,0,0,0,0,1|3,0,0]=4 208 B9R1.2 O=CC1=CN=CC(Cl)=N1 C14597 [0,0,0,0,0,1|3,0,0]=4 209 B9R1.2 O=CC1=CN=CC(O)=C1 H37579 [0,0,0,0,0,1|3,0,0]=4 210 B9R1.2 O=CC1=NC=CC(Br)=C1 B15000 [0,0,0,0,0,1|3,0,0]=4 211 B9R1.2 O=CC1=NC=CC(Cl)=C1 C10313 [0,0,0,0,0,1|3,0,0]=4 212 B9R1.2 O=CC1=NC=CC(F)=C1 F16335 [0,0,0,0,0,1|3,0,0]=4 213 B9R1.15 C=CC1=C(Br)C=CC=C1 B48296 [0,0,0,0,0,1|3,0,0]=4 214 B9R1.15 C=CC1=C(Cl)C=CC=C1 C48303 [0,0,0,0,0,1|3,0,0]=4 215 B9R1.15 C=CC1=C(N)C=CC=C1 V36733 [0,0,0,0,0,1|3,0,0]=4 216 B9R1.15 CC1=C(C#N)C=CC=N1 C10623 [0,0,0,0,0,1|2,0,1]=4 217 B9R1.15 CC1=C(C#N)C=CN=C1 M14014 [0,0,0,0,0,1|2,0,1]=4 218 B9R1.15 CC1=C(C#N)C=NC=C1 M14105 [0,0,0,0,0,1|2,0,1]=4 219 B9R1.15 CC1=C(C=O)C=CC=N1 M1759 [0,0,0,0,0,1|1,0,0]=2 220 B9R1.15 CC1=C(C=O)C=NC=C1 M1852 [0,0,0,0,0,1|1,0,0]=2 221 B9R1.15 CC1=C(CBr)C=CC=N1 B15311 [0,0,0,0,0,1|2,0,1]=4 222 B9R1.15 CC1=C(CBr)C=NC=C1 B37536 [0,0,0,0,0,1|2,0,1]=4 223 B9R1.15 CC1=C(CCl)C=CC=N1 C14756 [0,0,0,0,0,1|2,0,1]=4 224 B9R1.15 CC1=C(CCl)C=CN=C1 C13917 [0,0,0,0,0,1|2,0,1]=4 225 B9R1.15 CC1=C(CCl)C=CN=C1 C46110 [0,0,0,0,0,1|2,0,1]=4 226 B9R1.15 CC1=C(CCl)C=NC=C1 C14757 [0,0,0,0,0,1|2,0,1]=4 227 B9R1.15 CC1=C(CCl)C=NC=C1 C46108 [0,0,0,0,0,1|2,0,1]=4 228 B9R1.15 CC1=C(CN)C=CC=C1 M65907 [0,0,0,0,0,1|2,0,1]=4 229 B9R1.15 CC1=C(CN)C=NC=C1 A11511 [0,0,0,0,0,1|2,0,1]=4 230 B9R1.15 CC1=C(CO)C=CN=C1 H1761 [0,0,0,0,0,1|1,0,2]=4 231 B9R1.15 CC1=C(CO)C=NC=C1 H11512 [0,0,0,0,0,1|1,0,2]=4 232 B9R1.15 CC1=C(NN)C=CC=C1 T39424 [0,0,0,0,0,1|3,0,0]=4 233 B9R1.15 CC1=CC=CN=C1C#N M29764 [0,0,0,0,0,1|2,0,1]=4 234 B9R1.15 CC1=CC=CN=C1C=O M1872 [0,0,0,0,0,1|1,0,0]=2 235 B9R1.15 CC1=CC=CN=C1CCl C14758 [0,0,0,0,0,1|2,0,1]=4 236 B9R1.15 CC1=CC=CN=C1CCl C46105 [0,0,0,0,0,1|2,0,1]=4 237 B9R1.15 CC1=CC=CN=C1CN M46460 [0,0,0,0,0,1|2,0,1]=4 238 B9R1.15 CC1=CC=CN=C1CO H46388 [0,0,0,0,0,1|1,0,2]=4 239 B9R1.15 CC1=NC=CN=C1C=O M14617 [0,0,0,0,0,1|2,0,0]=3 240 B9R1.15 CCC1=C(C)C=CC=C1 E50165 [0,0,0,0,0,1|2,0,1]=4 241 B9R1.15 CNC1=C(C)C=CC=C1 D46860 [0,0,0,0,0,1|3,0,0]=4 242 B9R1.15 CNC1=C(C)C=CN=C1 D67183 [0,0,0,0,0,1|3,0,0]=4 243 B9R1.15 COC1=NC=CC=C1C M46378 [0,0,0,0,0,1|3,0,0]=4 244 B9R1.15 NC1=C(C=O)C=CC=C1 A32220 [0,0,0,0,0,1|2,0,0]=3 245 B9R1.15 NC1=C(C=O)C=CC=N1 A25218 [0,0,0,0,0,1|2,0,0]=3 246 B9R1.15 NC1=C(C=O)C=CN=C1 A12878 [0,0,0,0,0,1|2,0,0]=3 247 B9R1.15 NC1=C(C=O)C=NC=C1 A9624 [0,0,0,0,0,1|2,0,0]=3 248 B9R1.15 NC1=NC=CN=C1C=O A0269 [0,0,0,0,0,1|3,0,0]=4 249 B9R1.15 O=CC1=C(Br)C=CC=C1 B38420 [0,0,0,0,0,1|2,0,0]=3 250 B9R1.15 O=CC1=C(Br)C=CC=N1 B23547 [0,0,0,0,0,1|2,0,0]=3 251 B9R1.15 O=CC1=C(Br)C=NC=C1 B5403 [0,0,0,0,0,1|2,0,0]=3 252 B9R1.15 O=CC1=C(Cl)C=CC=C1 C67575 [0,0,0,0,0,1|2,0,0]=3 253 B9R1.15 O=CC1=C(Cl)C=CC=N1 C42298 [0,0,0,0,0,1|2,0,0]=3 254 B9R1.15 O=CC1=C(Cl)C=CN=C1 C4985 [0,0,0,0,0,1|2,0,0]=3 255 B9R1.15 O=CC1=C(Cl)C=NC=C1 C42297 [0,0,0,0,0,1|2,0,0]=3 256 B9R1.15 O=CC1=C(F)C=CC=C1 F68099 [0,0,0,0,0,1|2,0,0]=3 257 B9R1.15 O=CC1=C(F)C=CC=N1 F12613 [0,0,0,0,0,1|2,0,0]=3 258 B9R1.15 O=CC1=C(F)C=NC=C1 F12612 [0,0,0,0,0,1|2,0,0]=3 259 B9R1.15 O=CC1=C(I)C=CC=C1 I0665 [0,0,0,0,0,1|2,0,0]=3 260 B9R1.15 O=CC1=C(O)C=NC=C1 H67691 [0,0,0,0,0,1|2,0,0]=3 261 B9R1.15 O=CC1=CC=CN=C1Br B67403 [0,0,0,0,0,1|2,0,0]=3 262 B9R1.15 O=CC1=CC=CN=C1Cl C3459 [0,0,0,0,0,1|2,0,0]=3 263 B9R1.15 O=CC1=CC=CN=C1F F2386 [0,0,0,0,0,1|2,0,0]=3 264 B9R1.15 O=CC1=CC=CNC1=O X42600 [0,0,0,0,0,1|2,0,0]=3 265 B9R1.15 O=CC1=NC=CC=C1O H14795 [0,0,0,0,0,1|2,0,0]=3 266 B9R1.15 O=CC1=NC=CN=C1Cl C12693 [0,0,0,0,0,1|3,0,0]=4 267 B6R0.6 C\C=C\C=C\CO H69109 [1,0,1,0,0,0|0,0,2]=4 268 B6R0.1 CC=CC(=O)CC H41457 [1,0,1,0,0,0|1,0,1]=4 269 B6R0.1 COC(=O)\C=C/Br B3417 [1,0,1,0,0,0|2,0,0]=4 270 B6R0.1 COC(=O)\C=C/I I2748 [1,0,1,0,0,0|2,0,0]=4 271 B6R0.1 COC(=O)\C=C\I M40173 [1,0,1,0,0,0|2,0,0]=4 272 B6R0.3 C=C[C@H](C)C(=O)O M60559 [1,0,1,0,0,0|2,0,0]=4 273 B6R1.2 BrC1=CC=CS1 B69329 [2,0,0,0,0,0|2,0,0]=4 274 B6R1.2 BrC1=CC=NN1 B10788 [2,0,0,0,0,0|2,0,0]=4 275 B6R1.2 BrC1=CC=NN1 B37723 [2,0,0,0,0,0|2,0,0]=4 276 B6R1.2 BrC1=NC=CN1 B2807 [2,0,0,0,0,0|2,0,0]=4 277 B6R1.2 CC1=CC=CN1 M37933 [2,0,0,0,0,0|0,0,1]=3 278 B6R1.2 CC1=CC=CS1 M39179 [2,0,0,0,0,0|1,0,1]=4 279 B6R1.2 CC1=CNC=C1 M14657 [2,0,0,0,0,0|2,0,0]=4 280 B6R1.2 CN1C=CC=N1 M12066 [2,0,0,0,0,0|1,0,0]=3 281 B6R1.2 CN1C=CN=C1 M68061 [2,0,0,0,0,0|1,0,0]=3 282 B6R1.2 CN1C=CN=N1 M38094 [2,0,0,0,0,0|2,0,0]=4 283 B6R1.2 CN1C=NC=N1 M64922 [2,0,0,0,0,0|2,0,0]=4 284 B6R1.2 CN1C=NN=C1 M37134 [2,0,0,0,0,0|2,0,0]=4 285 B6R1.2 ClC1=CC=NN1 C10789 [2,0,0,0,0,0|2,0,0]=4 286 B6R1.2 ClC1=CC=NN1 C39819 [2,0,0,0,0,0|2,0,0]=4 287 B6R1.2 ClC1=CN=CN1 C38031 [2,0,0,0,0,0|2,0,0]=4 288 B6R1.2 ClC1=NC=CN1 C38255 [2,0,0,0,0,0|2,0,0]=4 289 B6R1.2 FC1=CC=NN1 F13459 [2,0,0,0,0,0|2,0,0]=4 290 B6R1.2 IC1=CC=CS1 K39149 [2,0,0,0,0,0|2,0,0]=4 291 B6R1.2 IC1=CC=NN1 K39821 [2,0,0,0,0,0|2,0,0]=4 292 B6R1.2 IC1=CN=CN1 I2351 [2,0,0,0,0,0|2,0,0]=4 293 B6R1.2 NC1=CC=NN1 P61114 [2,0,0,0,0,0|2,0,0]=4 294 B6R1.2 NC1=CN=CN1 I37101 [2,0,0,0,0,0|2,0,0]=4 295 B6R1.2 NC1=NC=CN1 A28762 [2,0,0,0,0,0|2,0,0]=4 296 B6R1.2 NC1=NC=CN1 A39803 [2,0,0,0,0,0|2,0,0]=4 297 B6R1.2 NN1C=CC=C1 A7731 [2,0,0,0,0,0|1,0,0]=3 298 B6R1.2 NN1C=CN=C1 I38788 [2,0,0,0,0,0|2,0,0]=4 299 B6R1.2 O=C1C=CCC1 C26583 [2,0,0,0,0,0|1,0,1]=4 300 B6R1.2 O=C1C=CCO1 F5673 [2,0,0,0,0,0|1,0,1]=4 301 B6R1.2 O=C1C=CNN1 P32282 [2,0,0,0,0,0|1,0,0]=3 302 B6R1.2 O=C1C=CSN1 T60536 [2,0,0,0,0,0|1,0,0]=3 303 B6R1.2 O=C1CC=CC1 C19712 [2,0,0,0,0,0|1,0,1]=4 304 B6R1.2 O=C1CC=NN1 P39834 [2,0,0,0,0,0|1,0,1]=4 305 B6R1.2 O=C1NC=CN1 K39835 [2,0,0,0,0,0|1,0,0]=3 306 B6R1.2 O=C1NC=CO1 X39828 [2,0,0,0,0,0|1,0,0]=3 307 B6R1.2 ON1C=CC=N1 P25523 [2,0,0,0,0,0|2,0,0]=4 308 B8R0.1 CCOC(=O)\C=C\C=O E69342 [0,1,1,0,0,0|2,0,0]=4 309 B8R1.1 CC1=CC(C=O)=CS1 M29797 [1,1,0,0,0,0|2,0,0]=4 310 B8R1.1 CC1=CC(C=O)=NN1 M41030 [1,1,0,0,0,0|1,0,1]=4 311 B8R1.1 CC1=CC=C(C#N)N1 M32172 [1,1,0,0,0,0|1,0,1]=4 312 B8R1.1 CC1=CC=C(C=O)N1 M43134 [1,1,0,0,0,0|0,0,0]=2 313 B8R1.1 CC1=CC=C(C=O)S1 M39272 [1,1,0,0,0,0|1,0,0]=3 314 B8R1.1 CC1=CN=C(C=O)S1 M19270 [1,1,0,0,0,0|1,0,1]=4 315 B8R1.1 CC1=COC(C=O)=C1 M13538 [1,1,0,0,0,0|1,0,0]=3 316 B8R1.1 CC1=COC(C=O)=N1 M12937 [1,1,0,0,0,0|1,0,1]=4 317 B8R1.1 CC1=CSC(C=O)=C1 M42959 [1,1,0,0,0,0|1,0,0]=3 318 B8R1.1 CC1=CSC(C=O)=N1 M14992 [1,1,0,0,0,0|1,0,1]=4 319 B8R1.1 CC1=NC(C=O)=CO1 M3278 [1,1,0,0,0,0|1,0,1]=4 320 B8R1.1 CC1=NC(C=O)=CS1 F2075 [1,1,0,0,0,0|1,0,1]=4 321 B8R1.1 CC1=NC=C(C=O)S1 F2897 [1,1,0,0,0,0|2,0,0]=4 322 B8R1.1 CN1C=CC(C=O)=N1 M22764 [1,1,0,0,0,0|1,0,1]=4 323 B8R1.1 CN1C=NC(C=O)=C1 M11287 [1,1,0,0,0,0|1,0,1]=4 324 B8R1.1 N#CC1=CC(Br)=CN1 B62203 [1,1,0,0,0,0|1,0,1]=4 325 B8R1.1 N#CC1=CC(Cl)=CN1 C40566 [1,1,0,0,0,0|1,0,1]=4 326 B8R1.1 NC1=NC=C(C=O)S1 A2114 [1,1,0,0,0,0|2,0,0]=4 327 B8R1.1 NC1=NC=C(C=O)S1 A40321 [1,1,0,0,0,0|2,0,0]=4 328 B8R1.1 O=CC1=CC(Br)=CN1 B38751 [1,1,0,0,0,0|0,0,0]=2 329 B8R1.1 O=CC1=CC(Br)=CO1 B13537 [1,1,0,0,0,0|1,0,0]=3 330 B8R1.1 O=CC1=CC(Br)=CS1 B12758 [1,1,0,0,0,0|1,0,0]=3 331 B8R1.1 O=CC1=CC(Cl)=CN1 C14574 [1,1,0,0,0,0|0,0,0]=2 332 B8R1.1 O=CC1=CC(Cl)=CS1 C12489 [1,1,0,0,0,0|1,0,0]=3 333 B8R1.1 O=CC1=CC(I)=CN1 K40861 [1,1,0,0,0,0|0,0,0]=2 334 B8R1.1 O=CC1=CC(I)=CS1 K40696 [1,1,0,0,0,0|1,0,0]=3 335 B8R1.1 O=CC1=CC=C(Br)N1 B67724 [1,1,0,0,0,0|0,0,0]=2 336 B8R1.1 O=CC1=CC=C(Br)O1 B67849 [1,1,0,0,0,0|1,0,0]=3 337 B8R1.1 O=CC1=CC=C(Br)S1 B10476 [1,1,0,0,0,0|1,0,0]=3 338 B8R1.1 O=CC1=CC=C(Cl)O1 C38278 [1,1,0,0,0,0|1,0,0]=3 339 B8R1.1 O=CC1=CC=C(Cl)S1 C7717 [1,1,0,0,0,0|1,0,0]=3 340 B8R1.1 O=CC1=CN=C(Br)S1 B2119 [1,1,0,0,0,0|2,0,0]=4 341 B8R1.1 O=CC1=CN=C(Cl)S1 C5784 [1,1,0,0,0,0|2,0,0]=4 342 B8R1.1 O=CC1=CSC(Br)=C1 B12754 [1,1,0,0,0,0|2,0,0]=4 343 B8R1.1 O=CC1=CSC(Br)=N1 B2118 [1,1,0,0,0,0|1,0,1]=4 344 B8R1.1 O=CC1=CSC(Cl)=C1 C1739 [1,1,0,0,0,0|2,0,0]=4 345 B8R1.1 O=CC1=CSC(Cl)=N1 C2764 [1,1,0,0,0,0|1,0,1]=4 346 B8R1.1 O=CC1=NC(Br)=CS1 B2070 [1,1,0,0,0,0|1,0,1]=4 347 B8R1.1 O=CC1=NC=C(Br)S1 B2465 [1,1,0,0,0,0|1,0,1]=4 348 B8R1.1 O=CC1=NC=C(Cl)S1 C9512 [1,1,0,0,0,0|1,0,1]=4 349 B8R1.7 CC(=O)C1=CC=CN1 P68619 [1,1,0,0,0,0|0,0,0]=2 350 B8R1.7 CC(=O)C1=CC=CS1 A69304 [1,1,0,0,0,0|1,0,0]=3 351 B8R1.7 CC(=O)C1=CC=NN1 P61226 [1,1,0,0,0,0|1,0,0]=3 352 B8R1.7 CC(=O)C1=CC=NO1 K40990 [1,1,0,0,0,0|2,0,0]=4 353 B8R1.7 CC(=O)C1=CNC=C1 A37548 [1,1,0,0,0,0|2,0,0]=4 354 B8R1.7 CC(=O)C1=CNC=N1 A41019 [1,1,0,0,0,0|1,0,1]=4 355 B8R1.7 CC(=O)C1=CSC=C1 A12828 [1,1,0,0,0,0|2,0,0]=4 356 B8R1.7 CC(=O)C1=CSC=N1 T41006 [1,1,0,0,0,0|1,0,1]=4 357 B8R1.7 CC(=O)C1=NC=CN1 K67604 [1,1,0,0,0,0|1,0,0]=3 358 B8R1.7 CC(=O)C1=NC=CS1 A22587 [1,1,0,0,0,0|1,0,1]=4 359 B8R1.7 CC(=O)C1=NOC=C1 K40989 [1,1,0,0,0,0|1,0,1]=4 360 B8R1.7 N=C(N)C1=NC=CN1 I27167 [1,1,0,0,0,0|2,0,0]=4 361 B8R1.7 N=C(N)C1=NC=CN1 I7758 [1,1,0,0,0,0|2,0,0]=4 362 B8R1.7 NC(=O)C1=COC=N1 X40074 [1,1,0,0,0,0|1,0,1]=4 363 B8R1.7 NC(=O)C1=NC=CO1 X26086 [1,1,0,0,0,0|1,0,1]=4 364 B8R1.7 NC(=O)C1=NC=CS1 T61005 [1,1,0,0,0,0|1,0,1]=4 365 B8R1.7 NC(=O)C1=NN=CN1 T69492 [1,1,0,0,0,0|2,0,0]=4 366 B8R1.7 NC(=O)C1=NNC=C1 P67746 [1,1,0,0,0,0|1,0,1]=4 367 B8R1.7 NC(=S)C1=CC=CS1 T41010 [1,1,0,0,0,0|1,1,0]=4 368 B8R1.7 O=C(Cl)C1=CC=CS1 T10056 [1,1,0,0,0,0|1,0,0]=3 369 B8R1.7 O=C(O)C1=CC=CN1 P24658 [1,1,0,0,0,0|0,0,0]=2 370 B8R1.7 O=C(O)C1=CC=CO1 F38499 [1,1,0,0,0,0|1,0,0]=3 371 B8R1.7 O=C(O)C1=CC=CS1 T69312 [1,1,0,0,0,0|1,0,0]=3 372 B8R1.7 O=C(O)C1=CC=NO1 K40064 [1,1,0,0,0,0|2,0,0]=4 373 B8R1.7 O=C(O)C1=CC=NS1 T40063 [1,1,0,0,0,0|2,0,0]=4 374 B8R1.7 O=C(O)C1=CN=CO1 O9363 [1,1,0,0,0,0|2,0,0]=4 375 B8R1.7 O=C(O)C1=CN=CS1 T2164 [1,1,0,0,0,0|2,0,0]=4 376 B8R1.7 O=C(O)C1=COC=C1 F14351 [1,1,0,0,0,0|2,0,0]=4 377 B8R1.7 O=C(O)C1=COC=N1 X9342 [1,1,0,0,0,0|1,0,1]=4 378 B8R1.7 O=C(O)C1=CSC=C1 T12825 [1,1,0,0,0,0|2,0,0]=4 379 B8R1.7 O=C(O)C1=CSC=N1 T2163 [1,1,0,0,0,0|1,0,1]=4 380 B8R1.7 O=C(O)C1=NC=CN1 I37951 [1,1,0,0,0,0|1,0,0]=3 381 B8R1.7 O=C(O)C1=NC=CS1 T9224 [1,1,0,0,0,0|1,0,1]=4 382 B8R1.7 O=C(O)C1=NNC=C1 P9459 [1,1,0,0,0,0|1,0,1]=4 383 B8R1.7 O=C(O)C1=NOC=C1 I12360 [1,1,0,0,0,0|1,0,1]=4 384 B8R1.7 O=C(O)C1=NSC=C1 I6110 [1,1,0,0,0,0|1,0,1]=4 385 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41170 [1,1,0,0,0,0|0,0,2]=4 386 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41356 [1,1,0,0,0,0|0,0,2]=4 387 B8R1.7 O=C([O-])C1=CC=CS1 C2751 [1,1,0,0,0,0|1,0,0]=3 388 B8R1.7 O=C([O-])C1=CC=CS1 C41403 [1,1,0,0,0,0|1,0,0]=3 389 B8R1.7 O=C([O-])C1=NC=CO1 S40296 [1,1,0,0,0,0|1,0,1]=4 390 B8R1.7 O=[N+]([O-])C1=CN=CN1 N69288 [1,1,0,0,0,0|2,0,0]=4 391 B8R1.18 CC1=CC(=O)OC1=O C60582 [1,1,0,0,0,0|2,0,0]=4 392 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [1,1,0,0,0,0|2,0,0]=4 393 B8R1.18 CC1=CC(Br)=NN1C B41126 [1,1,0,0,0,0|1,0,1]=4 394 B8R1.18 CC1=CC(C)=NN1C T41425 [1,1,0,0,0,0|1,0,1]=4 395 B8R1.18 CC1=CC(Cl)=NN1C C41128 [1,1,0,0,0,0|1,0,1]=4 396 B8R1.18 CC1=CC(N)=NN1C D41245 [1,1,0,0,0,0|1,0,1]=4 397 B8R1.18 CC1=NN(C)C(=O)C1 D39183 [1,1,0,0,0,0|1,0,1]=4 398 B8R1.18 CC1=NN(C)C(Br)=C1 B27171 [1,1,0,0,0,0|2,0,0]=4 399 B8R1.18 CC1=NN(C)C(Br)=C1 B2989 [1,1,0,0,0,0|2,0,0]=4 400 B8R1.18 CC1=NN(C)C(N)=C1 D1041 [1,1,0,0,0,0|2,0,0]=4 401 B8R1.18 CC1=NN(C)C(O)=C1 D9461 [1,1,0,0,0,0|1,0,1]=4 402 B8R1.18 CN1N=C(Br)C=C1Br D63345 [1,1,0,0,0,0|2,0,0]=4 403 B8R1.18 CN1N=C(Cl)C=C1N C15698 [1,1,0,0,0,0|2,0,0]=4 404 B8R1.18 CN1N=C(Cl)C=C1N C21712 [1,1,0,0,0,0|2,0,0]=4 405 B8R1.18 CN1N=C(N)C=C1Br B40193 [1,1,0,0,0,0|2,0,0]=4 406 B8R1.18 CN1N=C(N)C=C1Cl C40196 [1,1,0,0,0,0|2,0,0]=4 407 B8R1.18 CN1SC(Cl)=CC1=O C69553 [1,1,0,0,0,0|1,0,0]=3 408 B8R1.50 CC1=C(Br)C=NN1C B41125 [1,1,0,0,0,0|1,0,1]=4 409 B8R1.50 CC1=C(Br)N(C)N=C1 B19368 [1,1,0,0,0,0|2,0,0]=4 410 B8R1.50 CC1=C(N)C=NN1C D41401 [1,1,0,0,0,0|1,0,1]=4 411 B8R1.50 CC1=NC=C(Br)N1C B41127 [1,1,0,0,0,0|1,0,1]=4 412 B8R1.50 CN1C(=O)C=CC1=O M62371 [1,1,0,0,0,0|0,0,0]=2 413 B8R1.50 CN1C(=O)CSC1=O M40160 [1,1,0,0,0,0|1,0,1]=4 414 B8R1.50 CN1C(=O)CSC1=S M29859 [1,1,0,0,0,0|1,0,1]=4 415 B8R1.50 CN1C(I)=CN=C1I D2352 [1,1,0,0,0,0|2,0,0]=4 416 B8R1.50 CN1N=CC(Cl)=C1N C40195 [1,1,0,0,0,0|2,0,0]=4 417 B8R1.50 CN1N=CC(N)=C1N M39945 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.2 CC1=C(Br)C=CC=C1C=O B48713 [0,1,0,0,0,1|2,0,0]=4 419 B10R1.2 CC1=C(C=O)C=CC=C1O H49071 [0,1,0,0,0,1|2,0,0]=4 420 B10R1.2 CC1=C(F)C=CC=C1C=O F48740 [0,1,0,0,0,1|2,0,0]=4 421 B10R1.2 CC1=CC=CC(C=O)=C1Br B37238 [0,1,0,0,0,1|1,0,0]=3 422 B10R1.2 CC1=CC=CC(C=O)=C1C D49873 [0,1,0,0,0,1|1,0,0]=3 423 B10R1.2 CC1=CC=CC(C=O)=C1O M49066 [0,1,0,0,0,1|1,0,0]=3 424 B10R1.2 CC1=CC=NC(C=O)=C1Cl C36925 [0,1,0,0,0,1|2,0,0]=4 425 B10R1.2 CN1C=CC=C(CN)C1=O A10236 [0,1,0,0,0,1|1,0,1]=4 426 B10R1.2 CN1C=CC=C(CO)C1=O M0353 [0,1,0,0,0,1|0,0,2]=4 427 B10R1.2 NC1=C(Br)C=CC=C1C=O A37975 [0,1,0,0,0,1|2,0,0]=4 428 B10R1.2 NC1=C(Cl)C=CC=C1C=O A45479 [0,1,0,0,0,1|2,0,0]=4 429 B10R1.2 NC1=C(F)C=CC=C1C=O A45494 [0,1,0,0,0,1|2,0,0]=4 430 B10R1.2 O=CC1=C(O)C(O)=CC=C1 D67865 [0,1,0,0,0,1|2,0,0]=4 431 B10R1.2 O=CC1=CC=CC(Br)=C1Br D44631 [0,1,0,0,0,1|2,0,0]=4 432 B10R1.2 O=CC1=CC=CC(Br)=C1Cl B44638 [0,1,0,0,0,1|2,0,0]=4 433 B10R1.2 O=CC1=CC=CC(Br)=C1F B20106 [0,1,0,0,0,1|2,0,0]=4 434 B10R1.2 O=CC1=CC=CC(Br)=C1O B9977 [0,1,0,0,0,1|2,0,0]=4 435 B10R1.2 O=CC1=CC=CC(Cl)=C1Br B38610 [0,1,0,0,0,1|2,0,0]=4 436 B10R1.2 O=CC1=CC=CC(Cl)=C1Cl D69137 [0,1,0,0,0,1|2,0,0]=4 437 B10R1.2 O=CC1=CC=CC(Cl)=C1F C44664 [0,1,0,0,0,1|2,0,0]=4 438 B10R1.2 O=CC1=CC=CC(Cl)=C1O C45091 [0,1,0,0,0,1|2,0,0]=4 439 B10R1.2 O=CC1=CC=CC(F)=C1Br B44644 [0,1,0,0,0,1|2,0,0]=4 440 B10R1.2 O=CC1=CC=CC(F)=C1Cl C44662 [0,1,0,0,0,1|2,0,0]=4 441 B10R1.2 O=CC1=CC=CC(F)=C1F D28638 [0,1,0,0,0,1|2,0,0]=4 442 B10R1.2 O=CC1=CC=CC(F)=C1O F45096 [0,1,0,0,0,1|2,0,0]=4 443 B10R1.2 O=CC1=CC=CC(O)=C1Br B45081 [0,1,0,0,0,1|2,0,0]=4 444 B10R1.2 O=CC1=CC=CC(O)=C1Cl C45088 [0,1,0,0,0,1|2,0,0]=4 445 B10R1.2 O=CC1=CC=CC(O)=C1F F45097 [0,1,0,0,0,1|2,0,0]=4 446 B10R1.8 CC1=CC(Br)=CC(C=O)=C1 B48715 [0,1,0,0,0,1|1,0,0]=3 447 B10R1.8 CC1=CC(C)=CC(C=O)=C1 D49876 [0,1,0,0,0,1|1,0,0]=3 448 B10R1.8 CC1=CC(C=O)=CC(C)=N1 D38336 [0,1,0,0,0,1|2,0,0]=4 449 B10R1.8 CC1=CC(C=O)=CC(O)=C1 H49072 [0,1,0,0,0,1|1,0,0]=3 450 B10R1.8 CC1=CC(Cl)=CC(C=O)=C1 C48729 [0,1,0,0,0,1|1,0,0]=3 451 B10R1.8 CC1=CC(Cl)=CC(C=O)=N1 C45485 [0,1,0,0,0,1|1,0,0]=3 452 B10R1.8 CC1=CC(F)=CC(C=O)=C1 F38057 [0,1,0,0,0,1|1,0,0]=3 453 B10R1.8 O=CC1=CC(Br)=CC(Br)=C1 D44635 [0,1,0,0,0,1|2,0,0]=4 454 B10R1.8 O=CC1=CC(Br)=CC(Cl)=C1 B44640 [0,1,0,0,0,1|2,0,0]=4 455 B10R1.8 O=CC1=CC(Br)=CC(F)=C1 B44645 [0,1,0,0,0,1|2,0,0]=4 456 B10R1.8 O=CC1=CC(Br)=CC(O)=C1 B38127 [0,1,0,0,0,1|2,0,0]=4 457 B10R1.8 O=CC1=CC(Cl)=CC(Cl)=C1 D44661 [0,1,0,0,0,1|2,0,0]=4 458 B10R1.8 O=CC1=CC(Cl)=CC(Cl)=N1 D37494 [0,1,0,0,0,1|2,0,0]=4 459 B10R1.8 O=CC1=CC(Cl)=CC(F)=C1 C44665 [0,1,0,0,0,1|2,0,0]=4 460 B10R1.8 O=CC1=CC(Cl)=CC(O)=C1 C45093 [0,1,0,0,0,1|2,0,0]=4 461 B10R1.8 O=CC1=CC(F)=CC(F)=C1 D23035 [0,1,0,0,0,1|2,0,0]=4 462 B10R1.8 O=CC1=CC(F)=CC(O)=C1 F45102 [0,1,0,0,0,1|2,0,0]=4 463 B10R1.8 O=CC1=CC(I)=CC(Br)=C1 B44659 [0,1,0,0,0,1|2,0,0]=4 464 B10R1.8 O=CC1=CC(I)=CC(I)=C1 D62998 [0,1,0,0,0,1|2,0,0]=4 465 B10R1.8 O=CC1=CC(O)=CC(O)=C1 D45523 [0,1,0,0,0,1|2,0,0]=4 466 B10R1.30 CC1=C(C=O)C=C(Br)C=C1 B48718 [0,1,0,0,0,1|2,0,0]=4 467 B10R1.30 CC1=C(C=O)C=C(F)C=C1 F48743 [0,1,0,0,0,1|2,0,0]=4 468 B10R1.30 CC1=CC(C=O)=C(Br)C=C1 B48712 [0,1,0,0,0,1|1,0,0]=3 469 B10R1.30 CC1=CC(C=O)=C(Br)C=N1 B63912 [0,1,0,0,0,1|2,0,0]=4 470 B10R1.30 CC1=CC(C=O)=C(C)C=C1 D38715 [0,1,0,0,0,1|1,0,0]=3 471 B10R1.30 CC1=CC(C=O)=C(Cl)C=C1 C48727 [0,1,0,0,0,1|1,0,0]=3 472 B10R1.30 CC1=CC(C=O)=C(F)C=C1 F48738 [0,1,0,0,0,1|1,0,0]=3 473 B10R1.30 CC1=CC(C=O)=C(O)C=C1 H49070 [0,1,0,0,0,1|1,0,0]=3 474 B10R1.30 CC1=CNC(=O)C(C=O)=C1 M62264 [0,1,0,0,0,1|2,0,0]=4 475 B10R1.30 CC1=NC(C=O)=C(Br)C=C1 B63911 [0,1,0,0,0,1|1,0,0]=3 476 B10R1.30 NC1=C(C=O)C=C(Br)C=C1 A10804 [0,1,0,0,0,1|2,0,0]=4 477 B10R1.30 NC1=C(C=O)C=C(Cl)C=C1 A45481 [0,1,0,0,0,1|2,0,0]=4 478 B10R1.30 O=CC1=C(Br)C=CC(Br)=C1 D44633 [0,1,0,0,0,1|2,0,0]=4 479 B10R1.30 O=CC1=C(Br)C=CC(Cl)=C1 B37820 [0,1,0,0,0,1|2,0,0]=4 480 B10R1.30 O=CC1=C(Br)C=CC(Cl)=N1 B41993 [0,1,0,0,0,1|2,0,0]=4 481 B10R1.30 O=CC1=C(Br)C=CC(I)=C1 B44658 [0,1,0,0,0,1|2,0,0]=4 482 B10R1.30 O=CC1=C(Br)C=CC(O)=C1 B45082 [0,1,0,0,0,1|2,0,0]=4 483 B10R1.30 O=CC1=C(Cl)C=CC(Br)=C1 B44642 [0,1,0,0,0,1|2,0,0]=4 484 B10R1.30 O=CC1=C(Cl)C=CC(Cl)=C1 D39344 [0,1,0,0,0,1|2,0,0]=4 485 B10R1.30 O=CC1=C(Cl)C=CC(Cl)=N1 D42005 [0,1,0,0,0,1|2,0,0]=4 486 B10R1.30 O=CC1=C(Cl)C=CC(F)=C1 C44663 [0,1,0,0,0,1|2,0,0]=4 487 B10R1.30 O=CC1=C(Cl)C=CC(O)=C1 C45090 [0,1,0,0,0,1|2,0,0]=4 488 B10R1.30 O=CC1=C(F)C=CC(Br)=C1 F66905 [0,1,0,0,0,1|2,0,0]=4 489 B10R1.30 O=CC1=C(F)C=CC(Br)=N1 B10591 [0,1,0,0,0,1|2,0,0]=4 490 B10R1.30 O=CC1=C(F)C=CC(Cl)=C1 C5663 [0,1,0,0,0,1|2,0,0]=4 491 B10R1.30 O=CC1=C(F)C=CC(Cl)=N1 C42016 [0,1,0,0,0,1|2,0,0]=4 492 B10R1.30 O=CC1=C(F)C=CC(F)=C1 D44676 [0,1,0,0,0,1|2,0,0]=4 493 B10R1.30 O=CC1=C(F)C=CC(O)=C1 F45099 [0,1,0,0,0,1|2,0,0]=4 494 B10R1.30 O=CC1=C(I)C=CC(Br)=C1 B28649 [0,1,0,0,0,1|2,0,0]=4 495 B10R1.30 O=CC1=C(O)C=CC(Cl)=C1 C67854 [0,1,0,0,0,1|2,0,0]=4 496 B10R1.30 O=CC1=C(O)C=CC(F)=C1 F67833 [0,1,0,0,0,1|2,0,0]=4 497 B10R1.30 O=CC1=C(O)C=CC(I)=C1 H45105 [0,1,0,0,0,1|2,0,0]=4 498 B10R1.30 O=CC1=C(O)C=CC(O)=C1 D60796 [0,1,0,0,0,1|2,0,0]=4 499 B10R1.113 CC(=O)C1=CC(C)=CC=C1 T39528 [0,1,0,0,0,1|1,0,0]=3 500 B10R1.113 CC(=O)C1=CC(C)=NC=C1 M49265 [0,1,0,0,0,1|2,0,0]=4 501 B10R1.113 CC(=O)C1=CC(N)=CC=C1 A68568 [0,1,0,0,0,1|2,0,0]=4 502 B10R1.113 CC(=O)C1=CC(O)=CC=C1 H60763 [0,1,0,0,0,1|2,0,0]=4 503 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 A45468 [0,1,0,0,0,1|2,0,0]=4 504 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 C69069 [0,1,0,0,0,1|2,0,0]=4 505 B10R1.113 CC(=O)C1=CC=CC(Cl)=N1 C45483 [0,1,0,0,0,1|2,0,0]=4 506 B10R1.113 CC(=O)C1=CC=CC(F)=C1 F48736 [0,1,0,0,0,1|2,0,0]=4 507 B10R1.113 CC(=O)C1=CC=CC(F)=N1 F45497 [0,1,0,0,0,1|2,0,0]=4 508 B10R1.113 CC(=O)C1=CC=CC(I)=C1 I37889 [0,1,0,0,0,1|2,0,0]=4 509 B10R1.113 CC(=O)C1=CN=CC(C)=C1 M63719 [0,1,0,0,0,1|2,0,0]=4 510 B10R1.113 CC(=O)C1=NC(C)=CC=C1 A49259 [0,1,0,0,0,1|1,0,0]=3 511 B10R1.113 CC(=O)C1=NC(N)=CC=C1 A37132 [0,1,0,0,0,1|2,0,0]=4 512 B10R1.113 CC(=O)C1=NC=CC(C)=C1 M4575 [0,1,0,0,0,1|2,0,0]=4 513 B10R1.113 CC1=CC(C(=O)O)=CN=C1 M10515 [0,1,0,0,0,1|2,0,0]=4 514 B10R1.113 CC1=CC(C(=O)O)=NC=C1 M38719 [0,1,0,0,0,1|2,0,0]=4 515 B10R1.113 CC1=CC=CC(C(=N)N)=C1 M49488 [0,1,0,0,0,1|2,0,0]=4 516 B10R1.113 CC1=CC=CC(C(=O)O)=N1 M45823 [0,1,0,0,0,1|1,0,0]=3 517 B10R1.113 CC1=CC=CC([N+](=O)[O-])=N1 M42773 [0,1,0,0,0,1|2,0,0]=4 518 B10R1.113 CC1=CC=NC(C(=O)O)=N1 M14425 [0,1,0,0,0,1|2,0,0]=4 519 B10R1.113 CC1=CC=NC(C(N)=O)=N1 M43098 [0,1,0,0,0,1|2,0,0]=4 520 B10R1.113 CC1=CN=CC(C(=O)O)=N1 M10680 [0,1,0,0,0,1|2,0,0]=4 521 B10R1.113 CC1=CN=CC(C(N)=O)=N1 M43097 [0,1,0,0,0,1|2,0,0]=4 522 B10R1.113 CC1=NC=CC(C(=O)O)=C1 M15805 [0,1,0,0,0,1|2,0,0]=4 523 B10R1.113 CC1=NC=CC(C(=O)O)=N1 M42778 [0,1,0,0,0,1|2,0,0]=4 524 B10R1.113 NC(=O)C1=CC(O)=CC=C1 H45813 [0,1,0,0,0,1|2,0,0]=4 525 B10R1.113 NC(=O)C1=CC=CC(Br)=C1 B45466 [0,1,0,0,0,1|2,0,0]=4 526 B10R1.113 NC(=O)C1=CC=CC(F)=C1 F45492 [0,1,0,0,0,1|2,0,0]=4 527 B10R1.113 NC(=O)C1=NC(O)=CC=C1 H42772 [0,1,0,0,0,1|2,0,0]=4 528 B10R1.113 NC1=CC=CC(C(=O)O)=C1 A69286 [0,1,0,0,0,1|2,0,0]=4 529 B10R1.113 NC1=CC=CC(C(=O)O)=N1 A4798 [0,1,0,0,0,1|2,0,0]=4 530 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=C1 C64820 [0,1,0,0,0,1|2,0,0]=4 531 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=N1 C42007 [0,1,0,0,0,1|2,0,0]=4 532 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 B39364 [0,1,0,0,0,1|2,0,0]=4 533 B10R1.113 O=C(O)C1=CC=CC(Br)=N1 B4508 [0,1,0,0,0,1|2,0,0]=4 534 B10R1.113 O=C(O)C1=CC=CC(F)=C1 F68888 [0,1,0,0,0,1|2,0,0]=4 535 B10R1.113 O=C(O)C1=CC=CC(F)=N1 F3784 [0,1,0,0,0,1|2,0,0]=4 536 B10R1.113 O=C(O)C1=CC=CC(I)=C1 K68155 [0,1,0,0,0,1|2,0,0]=4 537 B10R1.172 C#CC1=CC=CC(C=O)=C1 E50961 [0,1,0,0,0,1|1,0,1]=4 538 B10R1.172 CCC1=CC=CC(C=O)=C1 E49870 [0,1,0,0,0,1|1,0,0]=3 539 B10R1.172 CCC1=CC=CC(C=O)=N1 E49258 [0,1,0,0,0,1|1,0,0]=3 540 B10R1.172 CNC1=NC=CC(C=O)=N1 M64957 [0,1,0,0,0,1|2,0,0]=4 541 B10R1.172 COC1=CC(C=O)=CN=C1 M2961 [0,1,0,0,0,1|2,0,0]=4 542 B10R1.172 COC1=CC(C=O)=NC=C1 M38180 [0,1,0,0,0,1|2,0,0]=4 543 B10R1.172 COC1=CC=CC(C=O)=C1 M67838 [0,1,0,0,0,1|1,0,0]=3 544 B10R1.172 COC1=CC=CC(C=O)=N1 M24168 [0,1,0,0,0,1|1,0,0]=3 545 B10R1.172 COC1=NC=CC(C=O)=C1 M3688 [0,1,0,0,0,1|2,0,0]=4 546 B10R1.172 COC1=NC=CC(C=O)=N1 M67794 [0,1,0,0,0,1|2,0,0]=4 547 B10R1.172 CSC1=NC(C=O)=CC=N1 M14445 [0,1,0,0,0,1|2,0,0]=4 548 B10R1.172 N#CC1=CC=CC(C=O)=C1 C47711 [0,1,0,0,0,1|1,0,1]=4 549 B10R1.172 N#CC1=CC=CC(C=O)=N1 F25689 [0,1,0,0,0,1|1,0,1]=4 550 B10R1.172 O=CC1=CC(CO)=CC=C1 H36764 [0,1,0,0,0,1|1,0,0]=3 551 B10R1.172 O=CC1=CC=CC(C=O)=N1 P32211 [0,1,0,0,0,1|1,0,1]=4 552 B10R1.172 O=CC1=CC=CC(CBr)=C1 B48710 [0,1,0,0,0,1|1,0,0]=3 553 B10R1.172 O=CC1=CC=CC(CF)=N1 F45495 [0,1,0,0,0,1|1,0,0]=3 554 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 B48714 [0,1,0,0,0,1|2,0,0]=4 555 B10R1.176 CC1=C(Br)C=CC(C=O)=C1 B48717 [0,1,0,0,0,1|1,0,0]=3 556 B10R1.176 CC1=C(Br)C=CC(C=O)=N1 B19216 [0,1,0,0,0,1|1,0,0]=3 557 B10R1.176 CC1=C(Br)C=NC(C=O)=C1 B45474 [0,1,0,0,0,1|2,0,0]=4 558 B10R1.176 CC1=C(Cl)C=C(C=O)C=C1 C48728 [0,1,0,0,0,1|2,0,0]=4 559 B10R1.176 CC1=C(Cl)C=CC(C=O)=C1 C48730 [0,1,0,0,0,1|1,0,0]=3 560 B10R1.176 CC1=C(F)C=CC(C=O)=C1 F48742 [0,1,0,0,0,1|1,0,0]=3 561 B10R1.176 CC1=C(F)C=CC(C=O)=N1 F26082 [0,1,0,0,0,1|1,0,0]=3 562 B10R1.176 CC1=C(O)C=C(C=O)C=C1 H67820 [0,1,0,0,0,1|2,0,0]=4 563 B10R1.176 CC1=C(O)C=CC(C=O)=C1 H49074 [0,1,0,0,0,1|1,0,0]=3 564 B10R1.176 CC1=CC(C=O)=CN=C1Br B45476 [0,1,0,0,0,1|2,0,0]=4 565 B10R1.176 CN1C=C(CN)C=CC1=O A12261 [0,1,0,0,0,1|1,0,1]=4 566 B10R1.176 CN1C=C(CN)C=CC1=O A31857 [0,1,0,0,0,1|1,0,1]=4 567 B10R1.176 CN1C=C(CO)C=CC1=O H7538 [0,1,0,0,0,1|0,0,2]=4 568 B10R1.176 O=CC1=CC(Br)=C(Br)C=C1 D44634 [0,1,0,0,0,1|2,0,0]=4 569 B10R1.176 O=CC1=CC(Br)=C(Cl)C=C1 B44639 [0,1,0,0,0,1|2,0,0]=4 570 B10R1.176 O=CC1=CC(Br)=C(F)C=C1 B64545 [0,1,0,0,0,1|2,0,0]=4 571 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 B45084 [0,1,0,0,0,1|2,0,0]=4 572 B10R1.176 O=CC1=CC(Cl)=C(Br)C=C1 B44641 [0,1,0,0,0,1|2,0,0]=4 573 B10R1.176 O=CC1=CC(Cl)=C(F)C=C1 C69059 [0,1,0,0,0,1|2,0,0]=4 574 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 C45092 [0,1,0,0,0,1|2,0,0]=4 575 B10R1.176 O=CC1=CC(F)=C(Br)C=C1 B18680 [0,1,0,0,0,1|2,0,0]=4 576 B10R1.176 O=CC1=CC(F)=C(Cl)C=C1 C44666 [0,1,0,0,0,1|2,0,0]=4 577 B10R1.176 O=CC1=CC(F)=C(F)C=C1 D39346 [0,1,0,0,0,1|2,0,0]=4 578 B10R1.176 O=CC1=CC(F)=C(I)C=C1 F44687 [0,1,0,0,0,1|2,0,0]=4 579 B10R1.176 O=CC1=CC(F)=C(O)C=C1 F45101 [0,1,0,0,0,1|2,0,0]=4 580 B10R1.176 O=CC1=CC(I)=C(Cl)C=C1 C44674 [0,1,0,0,0,1|2,0,0]=4 581 B10R1.176 O=CC1=CC(I)=C(O)C=C1 H69424 [0,1,0,0,0,1|2,0,0]=4 582 B10R1.176 O=CC1=CC(O)=C(Br)C=C1 B36771 [0,1,0,0,0,1|2,0,0]=4 583 B10R1.176 O=CC1=CC(O)=C(Cl)C=C1 C36636 [0,1,0,0,0,1|2,0,0]=4 584 B10R1.176 O=CC1=CC(O)=C(I)C=C1 H61294 [0,1,0,0,0,1|2,0,0]=4 585 B10R1.176 O=CC1=CC=C(Cl)C(Br)=N1 B41996 [0,1,0,0,0,1|2,0,0]=4 586 B10R1.176 O=CC1=CC=C(F)C(Br)=N1 B37298 [0,1,0,0,0,1|2,0,0]=4 587 B10R1.20 C#CC1=C(C=O)C=CC=C1 E67701 [0,1,0,0,0,1|1,0,1]=4 588 B10R1.20 C=CC1=C(C=O)C=CC=C1 V51543 [0,1,0,0,0,1|1,0,1]=4 589 B10R1.20 C=CC1=C(CO)C=CC=C1 V49872 [0,1,0,0,0,1|2,0,0]=4 590 B10R1.20 CCC1=C(C=O)C=CC=C1 E49869 [0,1,0,0,0,1|1,0,0]=3 591 B10R1.20 CNC1=C(C=O)C=CC=C1 M49260 [0,1,0,0,0,1|1,0,0]=3 592 B10R1.20 CNC1=C(C=O)C=CC=N1 M45978 [0,1,0,0,0,1|1,0,0]=3 593 B10R1.20 COC1=C(C=O)C=CC=C1 A69129 [0,1,0,0,0,1|1,0,0]=3 594 B10R1.20 COC1=C(C=O)C=CC=N1 M4987 [0,1,0,0,0,1|1,0,0]=3 595 B10R1.20 COC1=C(C=O)C=CN=C1 M32191 [0,1,0,0,0,1|1,0,0]=3 596 B10R1.20 COC1=C(C=O)C=NC=C1 M45822 [0,1,0,0,0,1|1,0,0]=3 597 B10R1.20 COC1=CC=CN=C1C=O M3691 [0,1,0,0,0,1|1,0,0]=3 598 B10R1.20 N#CC1=C(C=O)C=CC=C1 C38451 [0,1,0,0,0,1|1,0,1]=4 599 B10R1.20 O=CC1=C(C=O)C=CC=C1 B68577 [0,1,0,0,0,1|1,0,1]=4 600 B10R1.25 CC1=C(C=O)C=CC(Br)=C1 B48716 [0,1,0,0,0,1|1,0,0]=3 601 B10R1.25 CC1=C(C=O)C=CC(Cl)=C1 C23512 [0,1,0,0,0,1|1,0,0]=3 602 B10R1.25 CC1=C(C=O)C=CC(Cl)=N1 C45486 [0,1,0,0,0,1|1,0,0]=3 603 B10R1.25 CC1=C(C=O)C=CC(F)=C1 F48741 [0,1,0,0,0,1|1,0,0]=3 604 B10R1.25 CC1=C(C=O)C=CC(F)=N1 F45499 [0,1,0,0,0,1|1,0,0]=3 605 B10R1.25 CC1=C(C=O)C=CC(O)=C1 H49073 [0,1,0,0,0,1|1,0,0]=3 606 B10R1.25 CC1=CC(Br)=C(C=O)C=C1 B48711 [0,1,0,0,0,1|2,0,0]=4 607 B10R1.25 CC1=CC(Br)=CN=C1C=O B61323 [0,1,0,0,0,1|1,0,0]=3 608 B10R1.25 CC1=CC(Br)=NC=C1C=O B45475 [0,1,0,0,0,1|1,0,0]=3 609 B10R1.25 CC1=CC(C)=C(C=O)C=C1 D49874 [0,1,0,0,0,1|1,0,0]=3 610 B10R1.25 CC1=CC(C)=C(C=O)C=N1 D49261 [0,1,0,0,0,1|1,0,0]=3 611 B10R1.25 CC1=CC(Cl)=C(C=O)C=C1 C48726 [0,1,0,0,0,1|2,0,0]=4 612 B10R1.25 CC1=CC(Cl)=NC=C1C=O C45487 [0,1,0,0,0,1|1,0,0]=3 613 B10R1.25 CC1=CC(F)=C(C=O)C=C1 F48737 [0,1,0,0,0,1|2,0,0]=4 614 B10R1.25 CC1=CC(O)=C(C=O)C=C1 H38560 [0,1,0,0,0,1|2,0,0]=4 615 B10R1.25 CC1=CC=C(C=O)C(Cl)=N1 C45484 [0,1,0,0,0,1|2,0,0]=4 616 B10R1.25 NC1=C(C=O)C=CC(Br)=C1 A45469 [0,1,0,0,0,1|2,0,0]=4 617 B10R1.25 NC1=C(C=O)C=CC(Cl)=C1 A45480 [0,1,0,0,0,1|2,0,0]=4 618 B10R1.25 NC1=C(C=O)C=CC(F)=C1 A61199 [0,1,0,0,0,1|2,0,0]=4 619 B10R1.25 NC1=CC(Br)=CN=C1C=O A12076 [0,1,0,0,0,1|2,0,0]=4 620 B10R1.25 NC1=CC(Cl)=NC=C1C=O A15911 [0,1,0,0,0,1|2,0,0]=4 621 B10R1.25 NC1=CC(N)=C(C=O)C=C1 D45975 [0,1,0,0,0,1|2,0,0]=4 622 B10R1.25 O=CC1=C(Br)C=C(Br)C=C1 D44632 [0,1,0,0,0,1|2,0,0]=4 623 B10R1.25 O=CC1=C(Br)C=C(Cl)C=C1 B7860 [0,1,0,0,0,1|2,0,0]=4 624 B10R1.25 O=CC1=C(Br)C=C(Cl)N=C1 B41994 [0,1,0,0,0,1|2,0,0]=4 625 B10R1.25 O=CC1=C(Br)C=C(F)C=C1 B39342 [0,1,0,0,0,1|2,0,0]=4 626 B10R1.25 O=CC1=C(Br)C=C(I)C=C1 B67802 [0,1,0,0,0,1|2,0,0]=4 627 B10R1.25 O=CC1=C(Br)C=C(O)C=C1 B37795 [0,1,0,0,0,1|2,0,0]=4 628 B10R1.25 O=CC1=C(Cl)C=C(Br)C=C1 C44637 [0,1,0,0,0,1|2,0,0]=4 629 B10R1.25 O=CC1=C(Cl)C=C(Cl)C=C1 D69004 [0,1,0,0,0,1|2,0,0]=4 630 B10R1.25 O=CC1=C(Cl)C=C(F)C=C1 C39345 [0,1,0,0,0,1|2,0,0]=4 631 B10R1.25 O=CC1=C(Cl)C=C(F)N=C1 C42014 [0,1,0,0,0,1|2,0,0]=4 632 B10R1.25 O=CC1=C(Cl)C=C(O)C=C1 C45089 [0,1,0,0,0,1|2,0,0]=4 633 B10R1.25 O=CC1=C(F)C=C(Br)C=C1 B24366 [0,1,0,0,0,1|2,0,0]=4 634 B10R1.25 O=CC1=C(F)C=C(Cl)C=C1 C38438 [0,1,0,0,0,1|2,0,0]=4 635 B10R1.25 O=CC1=C(F)C=C(F)C=C1 D44675 [0,1,0,0,0,1|2,0,0]=4 636 B10R1.25 O=CC1=C(F)C=C(I)C=C1 F44686 [0,1,0,0,0,1|2,0,0]=4 637 B10R1.25 O=CC1=C(F)C=C(O)C=C1 F45098 [0,1,0,0,0,1|2,0,0]=4 638 B10R1.25 O=CC1=C(I)C=C(Br)C=C1 B44660 [0,1,0,0,0,1|2,0,0]=4 639 B10R1.25 O=CC1=C(I)C=C(O)C=C1 H69541 [0,1,0,0,0,1|2,0,0]=4 640 B10R1.25 O=CC1=C(O)C=C(Cl)C=C1 C45094 [0,1,0,0,0,1|2,0,0]=4 641 B10R1.25 O=CC1=C(O)C=C(F)C=C1 F23204 [0,1,0,0,0,1|2,0,0]=4 642 B10R1.25 O=CC1=C(O)C=C(O)C=C1 D67877 [0,1,0,0,0,1|2,0,0]=4 643 B10R1.25 O=CC1=CC=C(Br)N=C1Br D7611 [0,1,0,0,0,1|2,0,0]=4 644 B10R1.25 O=CC1=CC=C(Cl)N=C1Br B36994 [0,1,0,0,0,1|2,0,0]=4 645 B10R1.25 O=CC1=CC=C(Cl)N=C1Cl D4988 [0,1,0,0,0,1|2,0,0]=4 646 B10R1.25 O=CC1=CN=C(Br)C=C1Br D37426 [0,1,0,0,0,1|2,0,0]=4 647 B10R1.25 O=CC1=CN=C(Br)C=C1Cl B41995 [0,1,0,0,0,1|2,0,0]=4 648 B10R1.25 O=CC1=CN=C(Cl)C=C1Cl D12930 [0,1,0,0,0,1|2,0,0]=4 649 B10R1.25 O=CC1=NC=C(Br)C=C1Cl B38850 [0,1,0,0,0,1|2,0,0]=4 650 B10R1.25 O=CC1=NC=C(Br)C=C1F B12621 [0,1,0,0,0,1|2,0,0]=4 651 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 B48708 [0,1,0,0,0,1|2,0,0]=4 652 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 B45470 [0,1,0,0,0,1|2,0,0]=4 653 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 A10416 [0,1,0,0,0,1|2,0,0]=4 654 B10R1.61 CC(=O)C1=C(C)C=CC=C1 T39529 [0,1,0,0,0,1|1,0,0]=3 655 B10R1.61 CC(=O)C1=C(C)N=CC=C1 M21788 [0,1,0,0,0,1|1,0,0]=3 656 B10R1.61 CC(=O)C1=C(C)N=CN=C1 M45983 [0,1,0,0,0,1|2,0,0]=4 657 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 C68333 [0,1,0,0,0,1|2,0,0]=4 658 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 A11386 [0,1,0,0,0,1|2,0,0]=4 659 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 C16933 [0,1,0,0,0,1|2,0,0]=4 660 B10R1.61 CC(=O)C1=C(F)C=CC=C1 F69325 [0,1,0,0,0,1|2,0,0]=4 661 B10R1.61 CC(=O)C1=C(F)C=CC=N1 A12617 [0,1,0,0,0,1|2,0,0]=4 662 B10R1.61 CC(=O)C1=C(F)C=NC=C1 A12618 [0,1,0,0,0,1|2,0,0]=4 663 B10R1.61 CC(=O)C1=C(I)C=CC=C1 K48750 [0,1,0,0,0,1|2,0,0]=4 664 B10R1.61 CC(=O)C1=C(N)C=CC=C1 A49645 [0,1,0,0,0,1|2,0,0]=4 665 B10R1.61 CC(=O)C1=C(N)C=NC=C1 A45980 [0,1,0,0,0,1|2,0,0]=4 666 B10R1.61 CC(=O)C1=C(N)N=CC=C1 A45979 [0,1,0,0,0,1|2,0,0]=4 667 B10R1.61 CC(=O)C1=C(O)C=NC=C1 H45819 [0,1,0,0,0,1|2,0,0]=4 668 B10R1.61 CC(=O)C1=CC=CN=C1Br A13535 [0,1,0,0,0,1|2,0,0]=4 669 B10R1.61 CC(=O)C1=CC=CN=C1Cl A12691 [0,1,0,0,0,1|2,0,0]=4 670 B10R1.61 CC(=O)C1=CC=CN=C1F A45493 [0,1,0,0,0,1|2,0,0]=4 671 B10R1.61 CC(=O)C1=CC=CNC1=O A45815 [0,1,0,0,0,1|2,0,0]=4 672 B10R1.61 CC(=O)C1=CNC=CC1=O A45816 [0,1,0,0,0,1|2,0,0]=4 673 B10R1.61 CC(=O)C1=NC=CC=C1O H37046 [0,1,0,0,0,1|2,0,0]=4 674 B10R1.61 CC(=O)C1=NC=CN=C1C M45981 [0,1,0,0,0,1|2,0,0]=4 675 B10R1.61 CC1=C(C(=N)N)C=CC=C1 M49487 [0,1,0,0,0,1|2,0,0]=4 676 B10R1.61 CC1=C(C(=O)O)C=CC=C1 T69330 [0,1,0,0,0,1|1,0,0]=3 677 B10R1.61 CC1=C(C(=O)O)C=CC=N1 M14576 [0,1,0,0,0,1|1,0,0]=3 678 B10R1.61 CC1=C(C(=O)O)C=CC=N1 M45814 [0,1,0,0,0,1|1,0,0]=3 679 B10R1.61 CC1=C(C(=O)O)C=CN=C1 M14013 [0,1,0,0,0,1|1,0,0]=3 680 B10R1.61 CC1=C(C(=O)O)C=CN=N1 M14644 [0,1,0,0,0,1|2,0,0]=4 681 B10R1.61 CC1=C(C(=O)O)C=NC=C1 M4658 [0,1,0,0,0,1|1,0,0]=3 682 B10R1.61 CC1=C(C(=O)O)C=NC=N1 M42779 [0,1,0,0,0,1|2,0,0]=4 683 B10R1.61 CC1=C(C(=O)O)C=NN=C1 M7666 [0,1,0,0,0,1|2,0,0]=4 684 B10R1.61 CC1=C(C(N)=O)C=CC=N1 M45974 [0,1,0,0,0,1|1,0,0]=3 685 B10R1.61 CC1=C(C(N)=O)C=CN=C1 M45976 [0,1,0,0,0,1|1,0,0]=3 686 B10R1.61 CC1=C(C(N)=S)C=CC=C1 M69080 [0,1,0,0,0,1|1,1,0]=4 687 B10R1.61 CC1=C([N+](=O)[O-])C=CC=N1 M0519 [0,1,0,0,0,1|2,0,0]=4 688 B10R1.61 CC1=C([N+](=O)[O-])C=CC=N1 M43521 [0,1,0,0,0,1|2,0,0]=4 689 B10R1.61 CC1=C([N+](=O)[O-])C=CN=C1 M12598 [0,1,0,0,0,1|2,0,0]=4 690 B10R1.61 CC1=C([N+](=O)[O-])C=NC=C1 M1856 [0,1,0,0,0,1|2,0,0]=4 691 B10R1.61 CC1=C([N+](=O)[O-])C=NC=C1 M43522 [0,1,0,0,0,1|2,0,0]=4 692 B10R1.61 CC1=CC=CN=C1C(=N)N M46571 [0,1,0,0,0,1|2,0,0]=4 693 B10R1.61 CC1=CC=CN=C1C(=O)O M14577 [0,1,0,0,0,1|1,0,0]=3 694 B10R1.61 CC1=CC=CN=C1C(=O)O M62138 [0,1,0,0,0,1|1,0,0]=3 695 B10R1.61 CC1=CC=CN=C1[N+](=O)[O-] M3727 [0,1,0,0,0,1|2,0,0]=4 696 B10R1.61 CC1=CC=NN=C1C(=O)O M14534 [0,1,0,0,0,1|2,0,0]=4 697 B10R1.61 CC1=CN=CN=C1C(=O)O M42780 [0,1,0,0,0,1|2,0,0]=4 698 B10R1.61 CC1=NC=CN=C1C(=O)O M7738 [0,1,0,0,0,1|2,0,0]=4 699 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 B61279 [0,1,0,0,0,1|2,0,0]=4 700 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 B42449 [0,1,0,0,0,1|2,0,0]=4 701 B10R1.61 NC(=O)C1=C(Cl)C=CC=N1 C42454 [0,1,0,0,0,1|2,0,0]=4 702 B10R1.61 NC(=O)C1=C(Cl)C=CN=C1 C42455 [0,1,0,0,0,1|2,0,0]=4 703 B10R1.61 NC(=O)C1=C(I)C=CC=C1 K45507 [0,1,0,0,0,1|2,0,0]=4 704 B10R1.61 NC(=O)C1=C(N)C=CC=C1 A64967 [0,1,0,0,0,1|2,0,0]=4 705 B10R1.61 NC(=O)C1=C(N)C=CN=C1 A3037 [0,1,0,0,0,1|2,0,0]=4 706 B10R1.61 NC(=O)C1=C(N)C=NC=C1 A3921 [0,1,0,0,0,1|2,0,0]=4 707 B10R1.61 NC(=O)C1=C(N)N=CC=C1 A65610 [0,1,0,0,0,1|2,0,0]=4 708 B10R1.61 NC(=O)C1=C(O)C=NC=C1 H63051 [0,1,0,0,0,1|2,0,0]=4 709 B10R1.61 NC(=O)C1=NC=CC=C1N A15555 [0,1,0,0,0,1|2,0,0]=4 710 B10R1.61 NC1=C(C(=O)O)C=CC=N1 A12487 [0,1,0,0,0,1|2,0,0]=4 711 B10R1.61 NC1=C(C(=O)O)C=CN=C1 A1102 [0,1,0,0,0,1|2,0,0]=4 712 B10R1.61 NC1=C(C(=O)O)C=NC=C1 A4739 [0,1,0,0,0,1|2,0,0]=4 713 B10R1.61 NC1=CC=CN=C1C(=O)O A0472 [0,1,0,0,0,1|2,0,0]=4 714 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 K44672 [0,1,0,0,0,1|2,0,0]=4 715 B10R1.61 O=C(O)C1=C(Br)C=CC=N1 B31223 [0,1,0,0,0,1|2,0,0]=4 716 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 B1556 [0,1,0,0,0,1|2,0,0]=4 717 B10R1.61 O=C(O)C1=C(Cl)C=CC=N1 C14305 [0,1,0,0,0,1|2,0,0]=4 718 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 C16032 [0,1,0,0,0,1|2,0,0]=4 719 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 C42250 [0,1,0,0,0,1|2,0,0]=4 720 B10R1.61 O=C(O)C1=C(F)C=CC=N1 F10405 [0,1,0,0,0,1|2,0,0]=4 721 B10R1.61 O=C(O)C1=C(F)C=CN=C1 F61354 [0,1,0,0,0,1|2,0,0]=4 722 B10R1.61 O=C(O)C1=C(F)C=NC=C1 F1912 [0,1,0,0,0,1|2,0,0]=4 723 B10R1.61 O=C(O)C1=C(I)C=CC=N1 K42258 [0,1,0,0,0,1|2,0,0]=4 724 B10R1.61 O=C(O)C1=C(O)C=NC=C1 H12635 [0,1,0,0,0,1|2,0,0]=4 725 B10R1.61 O=C(O)C1=CC=CN=C1Br B23274 [0,1,0,0,0,1|2,0,0]=4 726 B10R1.61 O=C(O)C1=CC=CN=C1Cl C22883 [0,1,0,0,0,1|2,0,0]=4 727 B10R1.61 O=C(O)C1=CC=CN=C1F F38458 [0,1,0,0,0,1|2,0,0]=4 728 B10R1.61 O=C(O)C1=CC=CNC1=S T69299 [0,1,0,0,0,1|2,0,0]=4 729 B10R1.61 O=C(O)C1=CNC=CC1=O H67947 [0,1,0,0,0,1|2,0,0]=4 730 B10R1.61 O=C(O)C1=NC=CC=C1O H25980 [0,1,0,0,0,1|2,0,0]=4 731 B10R1.245 CC1=CC=CC(Br)=C1C=O B62059 [0,1,0,0,0,1|1,0,0]=3 732 B10R1.245 CC1=CC=CC(C)=C1C=O D49875 [0,1,0,0,0,1|1,0,0]=3 733 B10R1.245 CC1=CC=CC(F)=C1C=O F48739 [0,1,0,0,0,1|1,0,0]=3 734 B10R1.245 CC1=CC=CC(O)=C1C=O M38055 [0,1,0,0,0,1|1,0,0]=3 735 B10R1.245 NC1=CC=CC(Br)=C1C=O A13184 [0,1,0,0,0,1|2,0,0]=4 736 B10R1.245 NC1=CC=CC(Cl)=C1C=O A45482 [0,1,0,0,0,1|2,0,0]=4 737 B10R1.245 NC1=NC=CC(Cl)=C1C=O A12638 [0,1,0,0,0,1|2,0,0]=4 738 B10R1.245 O=CC1=C(Br)C=CC=C1Br D36972 [0,1,0,0,0,1|2,0,0]=4 739 B10R1.245 O=CC1=C(Br)C=CC=C1Cl B44636 [0,1,0,0,0,1|2,0,0]=4 740 B10R1.245 O=CC1=C(Br)C=CC=C1F B38461 [0,1,0,0,0,1|2,0,0]=4 741 B10R1.245 O=CC1=C(Br)C=CC=C1O B45083 [0,1,0,0,0,1|2,0,0]=4 742 B10R1.245 O=CC1=C(Br)C=CN=C1Br D41989 [0,1,0,0,0,1|2,0,0]=4 743 B10R1.245 O=CC1=C(Br)C=CN=C1F B2929 [0,1,0,0,0,1|2,0,0]=4 744 B10R1.245 O=CC1=C(Br)C=NC=C1Br D41990 [0,1,0,0,0,1|2,0,0]=4 745 B10R1.245 O=CC1=C(Br)C=NC=C1F B37312 [0,1,0,0,0,1|2,0,0]=4 746 B10R1.245 O=CC1=C(Cl)C=CC=C1Cl D67911 [0,1,0,0,0,1|2,0,0]=4 747 B10R1.245 O=CC1=C(Cl)C=CC=C1F C68856 [0,1,0,0,0,1|2,0,0]=4 748 B10R1.245 O=CC1=C(Cl)C=CC=C1O C21966 [0,1,0,0,0,1|2,0,0]=4 749 B10R1.245 O=CC1=C(Cl)C=CN=C1Br B41991 [0,1,0,0,0,1|2,0,0]=4 750 B10R1.245 O=CC1=C(Cl)C=CN=C1Cl D32072 [0,1,0,0,0,1|2,0,0]=4 751 B10R1.245 O=CC1=C(Cl)C=CN=C1F C42013 [0,1,0,0,0,1|2,0,0]=4 752 B10R1.245 O=CC1=C(Cl)C=NC=C1Cl D42012 [0,1,0,0,0,1|2,0,0]=4 753 B10R1.245 O=CC1=C(F)C=CC=C1F D44677 [0,1,0,0,0,1|2,0,0]=4 754 B10R1.245 O=CC1=C(F)C=CC=C1O F45100 [0,1,0,0,0,1|2,0,0]=4 755 B10R1.245 O=CC1=C(I)C=CC=C1Cl C44673 [0,1,0,0,0,1|2,0,0]=4 756 B10R1.245 O=CC1=C(I)C=CN=C1Cl C3031 [0,1,0,0,0,1|2,0,0]=4 757 B10R1.245 O=CC1=C(I)C=CN=C1F F2387 [0,1,0,0,0,1|2,0,0]=4 758 B10R1.245 O=CC1=C(O)C=CC=C1O D38677 [0,1,0,0,0,1|2,0,0]=4 759 B10R1.39 CC(C)N1N=CC=C1C=O P43646 [0,2,0,0,0,0|1,0,0]=3 760 B10R1.39 CCN1C=CC=C1C(C)=O E46916 [0,2,0,0,0,0|0,0,0]=2 761 B10R1.39 CCN1C=NC=C1C(=O)O E69191 [0,2,0,0,0,0|1,0,0]=3 762 B10R1.39 CCN1N=CC=C1C(=O)O E43222 [0,2,0,0,0,0|1,0,0]=3 763 B10R1.39 COC1=CSC=C1C(=O)O M42956 [0,2,0,0,0,0|2,0,0]=4 764 B10R1.34 CC1=C(Br)C(C)=C(C=O)N1 B46180 [0,2,0,0,0,0|2,0,0]=4 765 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 D46833 [0,2,0,0,0,0|2,0,0]=4 766 B10R1.59 CC(=O)C1=CC(C)=NN1C D1042 [0,2,0,0,0,0|1,0,0]=3 767 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 D62561 [0,2,0,0,0,0|2,0,0]=4 768 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 P64574 [0,2,0,0,0,0|2,0,0]=4 769 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 D3961 [0,2,0,0,0,0|1,0,0]=3 770 B10R1.59 CC1=NN(C)C(C(N)=O)=C1 D43358 [0,2,0,0,0,0|1,0,0]=3 771 B10R1.59 CN1C=C(Br)C=C1C(=O)O B42854 [0,2,0,0,0,0|0,0,0]=2 772 B10R1.59 CN1C=C(Br)N=C1[N+](=O)[O-] B40092 [0,2,0,0,0,0|2,0,0]=4 773 B10R1.59 CN1N=C(Cl)C=C1C(=O)O C10638 [0,2,0,0,0,0|1,0,0]=3 774 B10R1.59 CN1NC(=O)C=C1C(=O)O M63710 [0,2,0,0,0,0|1,0,0]=3 775 B10R1.192 CC1=CNC(C)=C1C(=O)O D67822 [0,2,0,0,0,0|2,0,0]=4 776 B10R1.192 CN1N=CC(I)=C1C(=O)O K40911 [0,2,0,0,0,0|1,0,0]=3 777 B10R1.64 CC(=O)SC1=C(C)OC=C1 M46247 [0,2,0,0,0,0|2,0,0]=4 778 B10R1.149 COC(=O)C1=C(C)C=CN1 M11830 [0,2,0,0,0,0|2,0,0]=4 779 B10R1.149 COC(=O)C1=C(C)C=CO1 M46253 [0,2,0,0,0,0|2,0,0]=4 780 B10R1.149 COC(=O)C1=C(C)C=CS1 M46249 [0,2,0,0,0,0|2,0,0]=4 781 B10R1.149 COC(=O)C1=C(C)OC=C1 M63405 [0,2,0,0,0,0|2,0,0]=4 782 B10R1.149 COC(=O)C1=C(C)SC=C1 M46248 [0,2,0,0,0,0|2,0,0]=4 783 B10R1.149 COC(=O)C1=CC=CN1N M43225 [0,2,0,0,0,0|1,0,0]=3 784 B10R1.149 COC(=O)C1=CC=NN1C M21904 [0,2,0,0,0,0|1,0,0]=3 785 B10R1.149 COC(=O)C1=CN=CN1C M11451 [0,2,0,0,0,0|1,0,0]=3 786 B10R1.149 COC(=O)C1=CNC=C1C M23532 [0,2,0,0,0,0|2,0,0]=4 787 B10R1.149 COC(=O)C1=NC=CN1C M13998 [0,2,0,0,0,0|1,0,0]=3 788 B10R1.194 CC(=O)C1=CNC(Br)=C1C B46179 [0,2,0,0,0,0|2,0,0]=4 789 B10R1.194 CC1=C(C(=O)O)C=CN1C D46413 [0,2,0,0,0,0|2,0,0]=4 790 B10R1.194 CC1=CNC(C(=O)O)=C1C D0626 [0,2,0,0,0,0|2,0,0]=4 791 B10R1.194 CC1=CSC(C(=O)O)=C1C D46250 [0,2,0,0,0,0|2,0,0]=4 792 B10R1.194 CN1C(Br)=CC=C1C(=O)O B42855 [0,2,0,0,0,0|0,0,0]=2 793 B8R1.2 CNC1=CC=CN=C1 M38086 [0,0,1,1,0,0|2,0,0]=4 794 B8R1.2 CNC1=CC=NC=C1 M68620 [0,0,1,1,0,0|2,0,0]=4 795 B8R1.2 CNC1=NC=CN=C1 M41140 [0,0,1,1,0,0|2,0,0]=4 796 B8R1.2 COC1=NC=CC=C1 M39277 [0,0,1,1,0,0|2,0,0]=4 797 B8R1.2 NNC1=CC=CC=C1 P68696 [0,0,1,1,0,0|2,0,0]=4 798 B8R1.2 NNC1=NC=CC=C1 H38511 [0,0,1,1,0,0|2,0,0]=4 799 B8R1.2 O=CC1=CN=CC=C1 P13753 [0,0,1,1,0,0|0,0,2]=4 800 B8R1.2 O=CC1=NC=CC=C1 P67836 [0,0,1,1,0,0|2,0,0]=4 801 B8R1.2 ONC1=CC=CC=C1 P67873 [0,0,1,1,0,0|2,0,0]=4 802 B8R1.5 CC1=C(I)C=CC=C1 K67847 [0,0,1,1,0,0|2,0,0]=4 803 B8R1.5 CC1=C([Mg+])C=CC=C1 M31729 [0,0,1,1,0,0|2,0,0]=4 804 B8R1.5 CC1=CC=CNC1=O M68618 [0,0,1,1,0,0|2,0,0]=4 805 B8R1.5 CN1C=CC=CC1=O M62252 [0,0,1,1,0,0|0,0,0]=2 806 B8R1.5 C[N+]1=C(Cl)C=CC=C1 C39196 [0,0,1,1,0,0|1,0,1]=4 807 B8R1.4 CC1=CC=CC(=O)N1 M23064 [0,0,1,1,0,0|2,0,0]=4 808 B8R1.4 CC1=CC=CC(I)=C1 K68735 [0,0,1,1,0,0|2,0,0]=4 809 B8R1.4 CC1=CC=CC([Mg+])=C1 M31730 [0,0,1,1,0,0|2,0,0]=4 810 B10R2.7 C1=CC2=CC=NN2C=C1 P64401 [0,0,0,1,0,1|2,0,0]=4 811 B10R2.7 C1=CC2=CN=CN2C=C1 K62512 [0,0,0,1,0,1|1,0,1]=4 812 B10R2.7 C1=CC2=CN=NN2C=C1 T6808 [0,0,0,1,0,1|2,0,0]=4 813 B10R2.7 C1=CN2C=CN=CC2=C1 P38385 [0,0,0,1,0,1|1,0,1]=4 814 B10R2.7 C1=CN2N=CC=C2N=C1 P12421 [0,0,0,1,0,1|2,0,0]=4 815 B10R2.320 O=C1CC2=C1C=CC=C2 B36727 [0,0,0,1,0,1|1,0,0]=3 816 B10R2.32 O=C1CCC2=C1C=CS2 D45612 [0,1,0,1,0,0|2,0,0]=4 817 B10R2.32 O=C1CCC2=C1SC=C2 C67539 [0,1,0,1,0,0|2,0,0]=4