0 B10R1.3 C#CC1=CC=C(CBr)C=C1 79956 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.3 C#CC1=CC=C(CCl)C=C1 79958 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.3 C#CC1=CN=C(C=O)C=C1 51748 [0,0,0,0,0,0|1,0,2]=3 3 B10R1.3 C#CC1=CN=C(CO)C=C1 AC2758 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.3 C#CC1=NC=C(OC)C=C1 D84302 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.3 C=CC1=CC=C(CO)C=C1 F14590 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.3 C=CC1=CN=C(C#N)C=C1 79121 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.3 CNC1=CC=C(C=O)C=C1 D93507 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.3 CNC1=CC=C(CO)C=C1 20987 [0,0,0,0,0,0|1,0,2]=3 9 B10R1.3 CNC1=CN=C(C#N)C=C1 O11307 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.3 CNC1=NC=C(C#N)C=C1 88567 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.3 CNC1=NC=C(C=O)C=C1 P10732 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.3 COC1=CN=C(C=O)C=N1 P10975 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.3 COC1=CN=C(CBr)C=C1 O10508 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.3 COC1=CN=C(CCl)C=C1 81763 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.3 COC1=CN=C(CN)C=C1 AC7188 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.3 COC1=NC=C(CCl)C=C1 82159 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.3 COC1=NC=C(CN)C=C1 C73256 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.3 COC1=NC=C(NN)C=C1 F13050 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.3 CSC1=CC=C(NN)C=C1 79686 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.3 CSC1=NC=C(C=O)C=N1 P10273 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.3 N#CC1=CN=C(C=O)C=C1 26613 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.3 N#CC1=CN=C(CCl)C=C1 P11633 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.3 N#CC1=CN=C(CN)C=C1 P16132 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.3 N#CC1=CN=C(CN)C=C1 W18493 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.3 N#CC1=CN=C(CO)C=C1 36548 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.3 N#CC1=NC=C(CCl)C=C1 C71847 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.3 N#CC1=NC=C(CN)C=C1 AB1091 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.3 NCC1=CC=C(CBr)C=C1 54465 [0,0,0,0,0,0|2,0,1]=3 29 B10R1.3 NCC1=CC=C(CCl)C=C1 51899 [0,0,0,0,0,0|2,0,1]=3 30 B10R1.3 O=CC1=CC=C(CCl)C=C1 CL9238 [0,0,0,0,0,0|1,0,0]=1 31 B10R1.3 O=CC1=CN=C(C=O)C=C1 D80964 [0,0,0,0,0,0|2,0,1]=3 32 B10R1.3 SCC1=CC=C(CS)C=C1 T70041 [0,0,0,0,0,0|1,1,1]=3 33 B9R1.1 BrCC1=NC=C(Br)C=C1 28859 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.1 C#CC1=CC=C(I)C=C1 F21257 [1,0,0,0,0,0|1,0,2]=4 35 B9R1.1 C=CC1=CN=C(Cl)C=C1 F13416 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.1 C=CC1=NC=C(Cl)C=C1 P17531 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.1 CC1=CN=C(C=O)C=N1 36020 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.1 CC1=CN=C(CCl)C=C1 A10650 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.1 CC1=CN=C(CCl)C=C1 C16351 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.1 CC1=CN=C(NN)C=C1 BL010291 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.1 CC1=NC=C(CCl)C=C1 CL0057 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.1 CC1=NC=C(CN)C=C1 72232 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.1 CCC1=CN=C(Br)C=C1 CS1557 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.1 CCC1=CN=C(Cl)C=C1 72594 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.1 CCC1=CN=C(N)C=N1 27455 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.1 CCC1=CN=C(O)C=C1 25325 [1,0,0,0,0,0|1,0,1]=3 47 B9R1.1 CCC1=NC=C(Br)C=C1 26547 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.1 CCC1=NC=C(Br)C=N1 27600 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.1 CCC1=NC=C(Cl)C=C1 C71513 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.1 CCC1=NC=C(N)C=C1 C72111 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.1 CCC1=NC=C(N)C=N1 81903 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.1 CCC1=NN=C(Cl)C=C1 59639 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.1 CCC1=NNC(=O)C=C1 65671 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.1 CNC1=CC=C(O)C=C1 D77985 [1,0,0,0,0,0|1,0,1]=3 55 B9R1.1 CNC1=CN=C(Br)C=C1 D86940 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.1 CNC1=CN=C(C)C=C1 D83365 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.1 CNC1=NC=C(N)C=C1 C74450 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.1 COC1=CN=C(F)C=C1 98092 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.1 C[N+]1=CC=C(C=O)C=C1 D95156 [1,0,0,0,0,0|1,0,0]=2 60 B9R1.1 ClCC1=CC=C(I)C=C1 AB8901 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.1 ClCC1=CN=C(Br)C=C1 C71417 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.1 ClCC1=CN=C(Br)C=C1 C73235 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.1 ClCC1=NC=C(Br)C=C1 12269 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.1 ClCC1=NC=C(Br)C=C1 C77222 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.1 FCC1=CC=C(Br)C=C1 W10394 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.1 N#CC1=CC=C(S)C=C1 F31167 [1,0,0,0,0,0|1,1,1]=4 67 B9R1.1 NC1=CN=C(C=O)C=C1 D77164 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.1 NC1=CN=C(C=O)C=N1 F31178 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.1 NCC1=CC=C(O)C=C1 AC1832 [1,0,0,0,0,0|1,0,1]=3 70 B9R1.1 NCC1=CN=C(Br)C=C1 68600 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.1 NCC1=CN=C(N)C=C1 F13784 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.1 NCC1=CN=C(N)C=C1 P19117 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.1 NCC1=NC=C(Br)C=C1 32062 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.1 NCC1=NC=C(Cl)C=C1 W13681 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.1 NCC1=NC=C(F)C=C1 70856 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.1 NCC1=NC=C(N)C=C1 O11499 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.1 NCC1=NC=C(N)C=C1 W11510 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.1 NCC1=NC=C(O)C=C1 24338 [1,0,0,0,0,0|2,0,1]=4 79 B9R1.1 O=CC1=CN=C(O)N=C1 86751 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.1 O=CC1=NC=C(Cl)C=N1 P10946 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.1 O=CC1=NN=C(Br)C=C1 P20764 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.1 O=CC1=NN=C(Cl)C=C1 25514 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.1 O=CC1=NN=C(O)C=C1 C77199 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.1 OCC1=CC=C(S)C=C1 Y11017 [1,0,0,0,0,0|1,1,0]=3 85 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 A50667 [0,1,0,0,0,0|0,0,2]=3 86 B11R1.3 C#CC1=NC=C(C(=O)O)C=C1 P18107 [0,1,0,0,0,0|1,0,2]=4 87 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 AC1342 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.3 C=CC1=CC=C(N(C)C)C=C1 30617 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.3 C=CC1=CC=C([C@H](C)N)C=C1 Y12652 [0,1,0,0,0,0|1,0,0]=2 90 B11R1.3 C=CC1=CC=C([C@H](C)N)C=C1 Y12653 [0,1,0,0,0,0|1,0,0]=2 91 B11R1.3 C=CC1=CC=C([C@H](C)N)C=C1 Y13029 [0,1,0,0,0,0|1,0,0]=2 92 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 CL9316 [0,1,0,0,0,0|1,0,0]=2 93 B11R1.3 CC(=O)C1=NC=C(C#N)C=C1 W17133 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 D81145 [0,1,0,0,0,0|1,0,1]=3 95 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 Y13670 [0,1,0,0,0,0|1,0,1]=3 96 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 S10908 [0,1,0,0,0,0|1,0,0]=2 97 B11R1.3 CCC1=NC=C(B(O)O)C=C1 FD10251 [0,1,0,0,0,0|2,0,1]=4 98 B11R1.3 CCC1=NC=C(C(=O)O)C=C1 W10833 [0,1,0,0,0,0|1,0,0]=2 99 B11R1.3 CCC1=NC=C(C(=O)O)C=N1 69207 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.3 CCC1=NC=C(C(=O)O)C=N1 C80031 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.3 CCC1=NC=C(C(C)=O)C=N1 D81149 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.3 CN(C)C1=CN=C(C=O)C=C1 94043 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.3 CN(C)C1=NC=C(C=O)C=C1 78785 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.3 CNC1=CC=C(C(C)C)C=C1 D95133 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.3 CNC1=NC=C(C(=O)O)C=N1 H10198 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 C72879 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 C72977 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.3 COC1=CN=C(C(=N)N)C=C1 66227 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.3 COC1=CN=C(C(=O)O)N=C1 72368 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.3 COC1=CN=C(C(C)=O)C=N1 S10058 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.3 COC1=CN=C(C(C)=O)N=C1 97279 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.3 COC1=NC=C(C(C)=O)C=N1 C71224 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 Y13388 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.3 COC1=NN=C(C(=O)O)C=C1 P10767 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 AT20995 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 AT20996 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 D81124 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 50211 [0,1,0,0,0,0|1,0,1]=3 119 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 72478 [0,1,0,0,0,0|1,0,1]=3 120 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 F16907 [0,1,0,0,0,0|1,0,1]=3 121 B11R1.3 C[C@H](N)C1=CC=C(CO)C=C1 33613 [0,1,0,0,0,0|0,0,2]=3 122 B11R1.3 C[C@H](N)C1=CC=C(CO)C=C1 33618 [0,1,0,0,0,0|0,0,2]=3 123 B11R1.3 C[C@H](N)C1=CC=C(CO)C=C1 33808 [0,1,0,0,0,0|0,0,2]=3 124 B11R1.3 C[C@H](O)C1=CC=C(C#N)C=C1 C13986 [0,1,0,0,0,0|1,0,1]=3 125 B11R1.3 C[S@](=O)C1=CC=C(C#N)C=C1 W16291 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.3 C[S@](=O)C1=CC=C(CN)C=C1 AR2414 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.3 FC(F)C1=CC=C(CBr)C=C1 72621 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.3 N=C(N)C1=CC=C(C=O)C=C1 F58592 [0,1,0,0,0,0|1,0,1]=3 129 B11R1.3 NC(=O)C1=CC=C(CO)C=C1 D82598 [0,1,0,0,0,0|1,0,0]=2 130 B11R1.3 NC(=O)C1=NC=C(CO)N=C1 A10669 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.3 NCC1=CC=C(C(F)F)C=C1 71247 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 W15750 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.3 NCC1=CN=C(C(=O)O)C=C1 N14194 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.3 NCC1=NC=C(C(=O)O)C=C1 51960 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.3 NNC1=CC=C(C(N)=O)C=C1 11076 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.3 NNC1=CC=C([N+](=O)[O-])C=C1 73838 [0,1,0,0,0,0|3,0,0]=4 137 B11R1.3 NOC1=CC=C([N+](=O)[O-])C=C1 O12033 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.3 O=C(O)C1=CN=C(CO)C=C1 P18087 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 C75020 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.3 O=CC1=CN=C([N+](=O)[O-])C=C1 D83993 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.3 O=CC1=NC=C(C(F)F)C=C1 97703 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.3 O=CC1=NC=C([N+](=O)[O-])C=C1 37553 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.3 O=[N+]([O-])C1=NC=C(CBr)C=C1 O11297 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.83 C=COC1=CC=C(CO)C=C1 D80867 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.83 CCCC1=CC=C(CN)C=C1 35547 [0,1,0,0,0,0|1,0,1]=3 146 B11R1.83 CCCC1=CC=C(CN)C=C1 Y14555 [0,1,0,0,0,0|1,0,1]=3 147 B11R1.83 CCOC1=NC=C(CCl)C=C1 AB10985 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.83 CCOC1=NC=C(CO)C=C1 20990 [0,1,0,0,0,0|1,0,2]=4 149 B11R1.83 CNC1=CC=C(CCO)C=C1 AB11620 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.83 CNCC1=CC=C(C#N)C=C1 C74766 [0,1,0,0,0,0|1,0,1]=3 151 B11R1.83 COC1=CC=C(CC=O)C=C1 F11615 [0,1,0,0,0,0|1,0,0]=2 152 B11R1.83 COC1=CC=C(CSC)C=C1 W18269 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.83 COC1=NC=C(CCN)C=C1 72625 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.83 N#CC1=CC=C(CCBr)C=C1 26978 [0,1,0,0,0,0|1,0,1]=3 155 B11R1.83 N#CC1=CC=C(CCO)C=C1 30197 [0,1,0,0,0,0|1,0,1]=3 156 B11R1.83 NCCC1=CC=C(C=O)C=C1 51618 [0,1,0,0,0,0|0,0,0]=1 157 B11R1.83 O=CC1=CC=C(CCO)C=C1 CK2095 [0,1,0,0,0,0|0,0,0]=1 158 B11R1.83 OCCC1=CC=C(CO)C=C1 D82395 [0,1,0,0,0,0|0,0,2]=3 159 B11R1.279 CC1=C(C=O)C=CC(C#N)=C1 I10178 [0,1,0,0,0,0|1,0,1]=3 160 B11R1.279 CC1=C(C=O)C=CC(C=O)=C1 A12374 [0,1,0,0,0,0|1,0,1]=3 161 B11R1.279 CCC1=CC(Br)=C(C#N)C=C1 Y11007 [0,1,0,0,0,0|1,0,1]=3 162 B11R1.279 CCC1=CC(F)=C(C=O)C=C1 36776 [0,1,0,0,0,0|0,0,0]=1 163 B11R1.279 CCC1=CC(N)=C(OC)C=C1 W16778 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.279 CCC1=CC(O)=C(OC)C=C1 O11426 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.279 CCC1=CC=C(C#N)C(O)=N1 C90475 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.279 COC1=C(Br)C=C(C=O)C=N1 F12246 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.279 COC1=C(C)C=C(CO)C=C1 D87344 [0,1,0,0,0,0|1,0,2]=4 168 B11R1.279 COC1=C(Cl)C=C(CCl)C=C1 N12801 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.279 COC1=C(F)C=C(C=O)C=N1 24822 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.279 COC1=C(N)C=C(C#N)C=C1 50134 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.279 COC1=C(N)C=C(CO)C=C1 74962 [0,1,0,0,0,0|1,0,2]=4 172 B11R1.279 COC1=CC(Br)=C(CO)C=C1 96401 [0,1,0,0,0,0|1,0,2]=4 173 B11R1.279 COC1=CC(C)=C(CN)C=C1 N16939 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.279 COC1=CC(Cl)=C(CO)C=C1 W19191 [0,1,0,0,0,0|1,0,2]=4 175 B11R1.279 COC1=CC(F)=C(CBr)C=C1 CL9274 [0,1,0,0,0,0|2,0,1]=4 176 B11R1.279 COC1=CC(F)=C(CN)C=C1 CK2394 [0,1,0,0,0,0|2,0,1]=4 177 B11R1.279 COC1=CC(F)=C(CN)C=C1 Y11728 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.279 COC1=CC(F)=C(NN)C=C1 27747 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.279 COC1=CC(I)=C(C=O)C=C1 D82574 [0,1,0,0,0,0|1,0,0]=2 180 B11R1.279 COC1=CC(N)=C(C=O)C=C1 F15612 [0,1,0,0,0,0|1,0,0]=2 181 B11R1.279 COC1=CC(N)=C(CO)C=C1 F15701 [0,1,0,0,0,0|1,0,2]=4 182 B11R1.279 COC1=CC(O)=C(OC)C=C1 25077 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.279 COC1=CC=C(C=O)C(Cl)=N1 W17184 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.279 COC1=CC=C(C=O)N=C1Br W17199 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.279 COC1=NC(N)=C(C=O)C=N1 66176 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.279 COC1=NC=C(C=O)C=C1C 72229 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.279 CSC1=NC(C)=C(C=O)C=N1 D83818 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.279 N#CC1=C(Br)C=C(C=O)C=C1 20836 [0,1,0,0,0,0|1,0,1]=3 189 B11R1.279 N#CC1=C(Br)C=C(CBr)C=C1 29830 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.279 N#CC1=C(Br)C=C(CO)C=C1 AC7179 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.279 N#CC1=C(Cl)C=C(C=O)C=C1 W10335 [0,1,0,0,0,0|1,0,1]=3 192 B11R1.279 N#CC1=C(F)C=C(CN)C=C1 20170 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.279 N#CC1=CC(Br)=C(CN)C=C1 98267 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.279 N#CC1=CC(Br)=C(CO)C=C1 CL9592 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.279 N#CC1=CC(Cl)=C(CBr)C=C1 P16639 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.279 N#CC1=CC(F)=C(CN)C=C1 89016 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.279 N#CC1=CC(F)=C(CN)C=C1 AC8005 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.279 N#CC1=CC(O)=C(C=O)C=C1 A11330 [0,1,0,0,0,0|1,0,1]=3 199 B11R1.279 O=CC1=C(O)C=C(CO)C=C1 C11418 [0,1,0,0,0,0|1,0,0]=2 200 B11R2.190 C=CC1=CC2=C(C=C1)CC2 67824 [0,0,0,1,0,0|1,0,0]=2 201 B9R1.21 C#CC1=CSC(C=O)=C1 A12932 [0,0,0,0,1,0|1,0,2]=4 202 B9R1.21 CCC1=CSC(C=O)=N1 H10618 [0,0,0,0,1,0|2,0,0]=3 203 B9R1.21 CCC1=NC=C(C=O)N1 AT15333 [0,0,0,0,1,0|2,0,0]=3 204 B9R1.21 CCC1=NC=C(C=O)S1 O10772 [0,0,0,0,1,0|2,0,0]=3 205 B9R1.21 CCC1=NOC(C=O)=C1 D79227 [0,0,0,0,1,0|2,0,0]=3 206 B9R1.21 CCN1C=NC(C=O)=C1 AT15572 [0,0,0,0,1,0|2,0,0]=3 207 B9R1.21 O=CC1=CC=C(CBr)O1 N16894 [0,0,0,0,1,0|2,0,0]=3 208 B9R1.21 O=CC1=CC=C(CO)N1 O11303 [0,0,0,0,1,0|2,0,0]=3 209 B9R1.21 O=CC1=CSC(C=O)=C1 O12151 [0,0,0,0,1,0|2,0,1]=4 210 B8R1.2 CCC1=NC=NC=C1 F17281 [2,0,0,0,0,0|2,0,0]=4 211 B8R1.2 NCC1=CC=CC=C1 RB3068 [2,0,0,0,0,0|1,0,0]=3 212 B8R1.2 NCC1=CC=NC=C1 35876 [2,0,0,0,0,0|2,0,0]=4 213 B8R1.2 O=CC1=NC=NC=C1 26359 [2,0,0,0,0,0|2,0,0]=4 214 B8R1.2 SCC1=CC=NC=C1 F18336 [2,0,0,0,0,0|2,0,0]=4 215 B8R1.2 SCC1=CN=CC=C1 F18343 [2,0,0,0,0,0|2,0,0]=4 216 B8R1.2 SCC1=NC=CC=C1 Y10072 [2,0,0,0,0,0|2,0,0]=4 217 B8R1.2 [C-]#[N+]C1=CC=CC=C1 AB1473 [2,0,0,0,0,0|1,0,1]=4 218 B8R1.3 CC1=NC=C(I)C=C1 C10582 [2,0,0,0,0,0|2,0,0]=4 219 B8R1.3 NC1=CC=C(O)C=C1 C75965 [2,0,0,0,0,0|1,0,1]=4 220 B8R1.3 SC1=CC=C(I)C=C1 F20637 [2,0,0,0,0,0|1,1,0]=4 221 B10R1.1 C=CCC1=CC=C(O)C=C1 AC1877 [1,1,0,0,0,0|0,0,2]=4 222 B10R1.1 CC1=CC=C(CNN)C=C1 O10109 [1,1,0,0,0,0|1,0,1]=4 223 B10R1.1 CC1=NC=C(CCO)C=C1 54746 [1,1,0,0,0,0|1,0,1]=4 224 B10R1.1 CCNC1=CC=C(F)C=C1 AB11321 [1,1,0,0,0,0|1,0,0]=3 225 B10R1.1 CCOC1=NC=C(Cl)C=C1 F52729 [1,1,0,0,0,0|2,0,0]=4 226 B10R1.1 CCSC1=CC=C(C)C=C1 H10147 [1,1,0,0,0,0|0,0,1]=3 227 B10R1.1 CNCC1=CC=C(O)C=C1 31972 [1,1,0,0,0,0|0,0,1]=3 228 B10R1.1 COCC1=CC=C(O)C=C1 63646 [1,1,0,0,0,0|0,0,1]=3 229 B10R1.1 CSCC1=CC=C(Br)C=C1 W19176 [1,1,0,0,0,0|1,0,0]=3 230 B10R1.1 CSCC1=CC=C(C)C=C1 W19462 [1,1,0,0,0,0|0,0,1]=3 231 B10R1.1 CSCC1=CC=C(F)C=C1 W18716 [1,1,0,0,0,0|1,0,0]=3 232 B10R1.1 NCCC1=CN=C(Cl)C=C1 85004 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.1 NNCC1=CC=C(F)C=C1 36999 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.1 NOCC1=CC=C(Cl)C=C1 78769 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.1 O=CCC1=CC=C(Cl)C=C1 74968 [1,1,0,0,0,0|1,0,0]=3 236 B10R1.1 OCCC1=NC=C(Br)C=C1 37598 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.1 OCCC1=NC=C(F)C=C1 P18353 [1,1,0,0,0,0|2,0,0]=4 238 B10R1.13 C=C(C)C1=CC=C(I)C=C1 AC1339 [1,1,0,0,0,0|1,0,1]=4 239 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 AC7918 [1,1,0,0,0,0|1,0,0]=3 240 B10R1.13 CC(=O)C1=NC=C(C)C=N1 79366 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.13 CC(=O)C1=NC=C(C)N=C1 56571 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.13 CC(=O)C1=NC=C(N)C=C1 D94999 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.13 CC(=O)C1=NC=C(O)C=C1 53717 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.13 CC(C)C1=CC=C(O)C=C1 D72532 [1,1,0,0,0,0|0,0,1]=3 245 B10R1.13 CC(C)C1=NC=C(Br)C=C1 C71514 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.13 CC(C)C1=NC=C(N)C=C1 D81293 [1,1,0,0,0,0|2,0,0]=4 247 B10R1.13 CC(C)C1=NC=C(N)C=C1 RB1132 [1,1,0,0,0,0|2,0,0]=4 248 B10R1.13 CC(C)C1=NNC(=O)C=C1 65672 [1,1,0,0,0,0|2,0,0]=4 249 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 20068 [1,1,0,0,0,0|0,0,1]=3 250 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 Y14023 [1,1,0,0,0,0|0,0,1]=3 251 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 W19044 [1,1,0,0,0,0|0,0,1]=3 252 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 97006 [1,1,0,0,0,0|1,0,0]=3 253 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 A11173 [1,1,0,0,0,0|1,0,0]=3 254 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 T73083 [1,1,0,0,0,0|1,0,0]=3 255 B10R1.13 CC1=CCC(C(=O)O)=CC1 A12608 [1,1,0,0,0,0|0,0,2]=4 256 B10R1.13 CC1=CN=C(C(=O)O)N=C1 RB3298 [1,1,0,0,0,0|2,0,0]=4 257 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10810 [1,1,0,0,0,0|1,0,1]=4 258 B10R1.13 CC1=CN=C([C@H](C)O)C=C1 AB7629 [1,1,0,0,0,0|1,0,1]=4 259 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 F16847 [1,1,0,0,0,0|1,0,1]=4 260 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 Y11095 [1,1,0,0,0,0|1,0,1]=4 261 B10R1.13 CN(N)C1=CC=C(Br)C=C1 E10129 [1,1,0,0,0,0|2,0,0]=4 262 B10R1.13 C[C@H](Cl)C1=CC=C(F)C=C1 AC6174 [1,1,0,0,0,0|1,0,0]=3 263 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 C16655 [1,1,0,0,0,0|1,0,0]=3 264 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10310 [1,1,0,0,0,0|1,0,0]=3 265 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10311 [1,1,0,0,0,0|1,0,0]=3 266 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20069 [1,1,0,0,0,0|1,0,0]=3 267 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20071 [1,1,0,0,0,0|1,0,0]=3 268 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 O11060 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11752 [1,1,0,0,0,0|1,0,0]=3 270 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11753 [1,1,0,0,0,0|1,0,0]=3 271 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y10879 [1,1,0,0,0,0|0,0,1]=3 272 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y14795 [1,1,0,0,0,0|0,0,1]=3 273 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 81501 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 N11108 [1,1,0,0,0,0|2,0,0]=4 275 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 N11223 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 66671 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 74099 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 74101 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 81462 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 D82399 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 N11298 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 Y11564 [1,1,0,0,0,0|2,0,0]=4 283 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 N13196 [1,1,0,0,0,0|2,0,0]=4 284 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 Y12226 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 90530 [1,1,0,0,0,0|2,0,0]=4 286 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F17006 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 N11135 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y10461 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y11597 [1,1,0,0,0,0|2,0,0]=4 290 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y13385 [1,1,0,0,0,0|2,0,0]=4 291 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1272 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1278 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 25877 [1,1,0,0,0,0|0,0,1]=3 294 B10R1.13 C[C@H](O)C1=CN=C(Br)C=C1 AT11876 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.13 C[C@H](O)C1=NC=C(Br)C=C1 Y13723 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.13 FC(F)C1=CC=C(I)C=C1 C71790 [1,1,0,0,0,0|2,0,0]=4 297 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 W16706 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.13 N=C(N)C1=CC=C(N)C=C1 56135 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.13 NC(=O)C1=CN=C(O)C=C1 C74893 [1,1,0,0,0,0|2,0,0]=4 300 B10R1.13 NC(=O)C1=NC=C(N)C=C1 25630 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 A11465 [1,1,0,0,0,0|1,0,0]=3 302 B10R1.13 O=C(O)C1=NC=C(I)C=C1 O11456 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.25 C=CC1=C(Br)C=C(F)C=C1 S10822 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.25 CC1=C(C=O)C=CC(Br)=N1 C16730 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.25 CC1=C(C=O)C=CC(F)=N1 C76919 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.25 CC1=C(CBr)C=CC(Br)=C1 93716 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.25 CC1=C(CCl)C=CC(Br)=C1 AB10222 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.25 CC1=C(CF)C=CC(Br)=C1 C73525 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.25 CC1=C(CN)C=CC(Br)=C1 C71550 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.25 CC1=C(CO)C=CC(N)=C1 F19834 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.25 CC1=CC(Br)=C(CN)C=C1 W19042 [1,1,0,0,0,0|1,0,1]=4 312 B10R1.25 CC1=CC(Br)=NC=C1C=O C77172 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.25 CC1=CC(C)=C(C=O)C=N1 C14259 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.25 CC1=CC(C)=C(CBr)C=C1 24686 [1,1,0,0,0,0|1,0,1]=4 315 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 N12896 [1,1,0,0,0,0|1,0,1]=4 316 B10R1.25 CC1=CC(F)=C(NN)C=C1 D82866 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.25 CC1=CC(F)=C(NN)C=C1 W17784 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.25 CC1=CC=C(C=O)C(Br)=N1 D82345 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.25 CC1=NC(N)=C(C=O)C=N1 66180 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.25 CCC1=C(Br)C=C(N)C=C1 27953 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.25 CCC1=C(Br)C=C(O)C=C1 Y11628 [1,1,0,0,0,0|0,0,1]=3 322 B10R1.25 CCC1=C(Cl)C=C(N)C=C1 W17033 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.25 CCC1=C(F)C=C(Br)C=C1 D82415 [1,1,0,0,0,0|1,0,0]=3 324 B10R1.25 CCC1=C(F)C=C(O)C=C1 C11362 [1,1,0,0,0,0|0,0,1]=3 325 B10R1.25 CCC1=C(N)C=C(Br)C=C1 C72839 [1,1,0,0,0,0|1,0,0]=3 326 B10R1.25 CCC1=C(N)C=C(Cl)C=C1 C74962 [1,1,0,0,0,0|1,0,0]=3 327 B10R1.25 CCC1=NC=C(Br)C=C1N 38360 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.25 CCN1C=CC(Br)=CC1=O P13647 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.25 CNC1=C(Br)C=C(F)C=C1 71883 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.25 CNC1=C(C)C=C(O)C=C1 C16321 [1,1,0,0,0,0|1,0,1]=4 331 B10R1.25 COC1=C(C)C=C(O)C=C1 95659 [1,1,0,0,0,0|1,0,1]=4 332 B10R1.25 COC1=C(Cl)C=C(I)C=C1 F15482 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.25 COC1=CNC(=O)C=C1Br W15670 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.25 CSC1=C(Br)C=C(F)C=C1 69928 [1,1,0,0,0,0|2,0,0]=4 335 B10R1.25 CSC1=C(Cl)C=C(Br)C=C1 Y11168 [1,1,0,0,0,0|2,0,0]=4 336 B10R1.25 CSC1=C(F)C=C(N)C=C1 94984 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.25 FC1=C(CBr)C=CC(I)=C1 55991 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.25 FC1=CC(I)=C(CBr)C=C1 56051 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.25 NC1=C(C=O)C=CC(F)=C1 34566 [1,1,0,0,0,0|1,0,0]=3 340 B10R1.25 NC1=CC(Br)=C(C=O)C=C1 C16178 [1,1,0,0,0,0|1,0,0]=3 341 B10R1.25 NC1=CC(Br)=CN=C1C=O P13238 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.25 NC1=CC(Cl)=NC=C1C=O 22929 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.25 NC1=CC(F)=C(C=O)C=C1 AC6806 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.25 NC1=CC(F)=CN=C1C=O D83274 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.25 NC1=CC(N)=C(C=O)C=C1 C10737 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.25 NCC1=C(Br)C=C(Cl)C=C1 C73878 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.25 NCC1=C(Br)C=C(F)C=C1 Y11612 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.25 NCC1=C(Cl)C=C(Br)C=C1 Y12485 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.25 NCC1=C(F)C=C(O)C=C1 N14725 [1,1,0,0,0,0|1,0,1]=4 350 B10R1.25 NCC1=C(O)C=C(Br)C=C1 N13143 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.25 O=CC1=C(Br)C=C(Br)C=N1 W15435 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.25 O=CC1=C(Br)C=C(Cl)C=N1 BL010229 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.25 O=CC1=C(Br)C=C(F)C=N1 58153 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.25 O=CC1=C(Br)C=C(I)C=C1 67919 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.25 O=CC1=C(Cl)C=C(Cl)C=N1 80307 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.25 O=CC1=C(Cl)N=C(Br)C=C1 26730 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.25 O=CC1=C(F)C=C(F)C=N1 F11044 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.25 O=CC1=C(F)N=C(Br)C=C1 74727 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.25 O=CC1=C(I)C=C(F)C=C1 CL9496 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.25 O=CC1=C(O)N=C(Br)C=C1 D80553 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.25 O=CC1=CC=C(Cl)N=C1Br C71249 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.25 O=CC1=CC=C(F)N=C1Cl F12185 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.25 O=CC1=CN=C(Br)C=C1Cl CL0319 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.25 OCC1=C(Br)C=C(O)C=C1 98273 [1,1,0,0,0,0|1,0,1]=4 365 B10R1.25 OCC1=C(Cl)C=C(O)C=C1 CL9122 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.25 OCC1=C(I)C=C(Cl)C=C1 95677 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.25 OCC1=C(O)C=C(Br)C=C1 35526 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.176 BrCC1=CC(Br)=C(Br)C=C1 C76015 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.176 C=CC1=CC(Cl)=C(Cl)C=C1 C15264 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.176 C=CC1=CC(F)=C(Cl)C=C1 S10073 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.176 C=CC1=CC(I)=C(O)C=C1 D94289 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.176 CC1=C(Br)C=C(C=O)N=C1 CS1689 [1,1,0,0,0,0|1,0,0]=3 373 B10R1.176 CC1=C(Br)C=CC(CN)=C1 N12558 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.176 CC1=C(Br)C=CC(CN)=C1 Y12257 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.176 CC1=C(F)C=CC(C=O)=N1 P10585 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.176 CC1=C(F)C=CC(CBr)=C1 D87871 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.176 CC1=C(O)C=C(C=O)C=C1 W16814 [1,1,0,0,0,0|0,0,0]=2 378 B10R1.176 CC1=C(O)C=CC(CN)=C1 N14331 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.176 CC1=C(O)C=CC(CO)=C1 C73536 [1,1,0,0,0,0|1,0,1]=4 380 B10R1.176 CC1=CC(C=O)=CN=C1Br 78107 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.176 CCC1=CC(Br)=C(C)C=C1 D93128 [1,1,0,0,0,0|0,0,1]=3 382 B10R1.176 CCC1=CC(Br)=C(I)C=C1 Y11303 [1,1,0,0,0,0|1,0,0]=3 383 B10R1.176 CCC1=CC(C)=C(C)C=C1 C77212 [1,1,0,0,0,0|0,0,1]=3 384 B10R1.176 CCC1=CC(C)=C(I)C=C1 W17700 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.176 CCC1=CC(F)=C(N)C=C1 N13141 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.176 CCC1=CC(N)=C(N)C=C1 76101 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.176 CCC1=CC(O)=C(Cl)C=C1 O10732 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.176 CCC1=NC(Cl)=C(Br)C=C1 C72403 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.176 CN1C=C(C=O)C=CC1=O H11166 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.176 CN1C=C(CN)C=CC1=O P16593 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.176 CN1C=C(CO)C=CC1=O 37238 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.176 COC1=CC(Cl)=C(I)C=C1 D72033 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.176 COC1=CC(O)=C(N)C=C1 20700 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.176 COC1=CC(O)=C(O)C=C1 F18177 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.176 ClC1=C(Br)C=CC(CBr)=C1 76034 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.176 FC1=C(I)C=CC(CBr)=C1 CL9459 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.176 NC1=C(F)C=C(CO)C=C1 74966 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.176 NC1=C(O)C=CC(CO)=C1 Y13579 [1,1,0,0,0,0|1,0,1]=4 399 B10R1.176 NCC1=CC(F)=C(Br)C=C1 95673 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.176 NCC1=CC(F)=C(Br)C=C1 CS1629 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.176 NCC1=CC(F)=C(N)C=C1 C90556 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.176 NCC1=CC(O)=C(Cl)C=C1 Y11334 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.176 NCC1=CC(O)=C(F)C=C1 D71055 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.176 NCC1=CC(O)=C(O)C=C1 S11863 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.176 O=CC1=CC(Cl)=C(O)N=C1 A12705 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.176 O=CC1=CC(F)=C(I)C=C1 23742 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.176 O=CC1=CC(I)=C(F)C=C1 34606 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.176 O=CC1=CC(O)=C(Br)C=C1 34572 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.176 O=CC1=CC(O)=C(I)C=C1 62940 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.176 O=CC1=CC=C(Cl)C(Br)=N1 C14399 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.176 O=CC1=CN=C(Br)C(F)=C1 O11553 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.176 O=CC1=CN=C(Cl)C(Cl)=C1 97698 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.176 O=CC1=CN=C(Cl)C(F)=C1 C16801 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.176 O=CC1=NC(Cl)=C(Br)C=C1 32221 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.176 OC1=C(F)C=CC(CCl)=C1 D79295 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.176 OCC1=CC(O)=C(F)C=C1 C77207 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.31 CC(C)C1=NC=C(C=O)S1 AT15085 [0,1,0,0,1,0|2,0,0]=4 418 B10R1.31 CC(C)N1C=CC(C=O)=N1 F14391 [0,1,0,0,1,0|2,0,0]=4 419 B10R1.31 CC(C)N1C=NC(C=O)=C1 W18619 [0,1,0,0,1,0|2,0,0]=4 420 B10R1.31 CCC1=CC(C(=O)O)=NN1 79051 [0,1,0,0,1,0|2,0,0]=4 421 B10R1.31 CCC1=NC(C(=O)O)=CS1 69872 [0,1,0,0,1,0|2,0,0]=4 422 B10R1.31 CCC1=NC(C(=O)O)=CS1 C73183 [0,1,0,0,1,0|2,0,0]=4 423 B10R1.31 CCN1C=C(C(=O)O)C=N1 30841 [0,1,0,0,1,0|2,0,0]=4 424 B10R1.31 CCN1C=NC(C(=O)O)=C1 AT15392 [0,1,0,0,1,0|2,0,0]=4 425 B10R1.31 CN(C)C1=CC=C(C=O)S1 C74250 [0,1,0,0,1,0|2,0,0]=4 426 B10R1.31 COC1=CC=C(C(=O)O)S1 31392 [0,1,0,0,1,0|2,0,0]=4 427 B10R1.96 O=CC1=NN(CCF)C=C1 AT14225 [0,1,0,0,1,0|2,0,0]=4 428 B10R1.258 CCN1C=NC(C=O)=C1C AC8442 [0,1,0,0,1,0|2,0,0]=4 429 B12R1.5 C=CC1=CC=C([C@@H](N)CC)C=C1 Y12655 [0,2,0,0,0,0|1,0,0]=3 430 B12R1.5 C=CC1=CC=C([C@@H](N)CC)C=C1 Y13063 [0,2,0,0,0,0|1,0,0]=3 431 B12R1.5 C=CC1=CC=C([C@@H](N)CC)C=C1 Y13303 [0,2,0,0,0,0|1,0,0]=3 432 B12R1.5 C=CC1=CC=C([C@@H](N)CO)C=C1 Y13037 [0,2,0,0,0,0|1,0,0]=3 433 B12R1.5 C=CC1=CC=C([C@@H](N)CO)C=C1 Y13064 [0,2,0,0,0,0|1,0,0]=3 434 B12R1.5 C=CC1=CC=C([C@@H](N)CO)C=C1 Y13312 [0,2,0,0,0,0|1,0,0]=3 435 B12R1.5 CCC1=CC=C(C(=O)CCl)C=C1 W16149 [0,2,0,0,0,0|0,0,0]=2 436 B12R1.5 CCC1=NC=C(C(=O)OC)C=N1 60093 [0,2,0,0,0,0|2,0,0]=4 437 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 N10942 [0,2,0,0,0,0|2,0,0]=4 438 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 Y10277 [0,2,0,0,0,0|2,0,0]=4 439 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 Y10898 [0,2,0,0,0,0|2,0,0]=4 440 B12R1.5 CNC(=O)C1=CC=C(OC)C=C1 C74747 [0,2,0,0,0,0|1,0,0]=3 441 B12R1.5 COC(=O)C1=CC=C(NN)C=C1 AB9723 [0,2,0,0,0,0|2,0,0]=4 442 B12R1.5 COC(=O)C1=CN=C(CBr)C=C1 57139 [0,2,0,0,0,0|2,0,0]=4 443 B12R1.5 COC(=O)C1=CN=C(CCl)C=C1 94419 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 FD7395 [0,2,0,0,0,0|2,0,0]=4 445 B12R1.5 COC(=O)C1=NC=C(C=O)C=C1 68601 [0,2,0,0,0,0|1,0,1]=4 446 B12R1.5 COC(=O)C1=NC=C(CO)C=C1 90186 [0,2,0,0,0,0|2,0,0]=4 447 B12R1.5 COC(=O)C1=NC=C(OC)C=C1 P11291 [0,2,0,0,0,0|2,0,0]=4 448 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 Y11290 [0,2,0,0,0,0|1,0,0]=3 449 B12R1.5 COC1=CC=C(C(=S)NN)C=C1 W10977 [0,2,0,0,0,0|1,1,0]=4 450 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 N10529 [0,2,0,0,0,0|2,0,0]=4 451 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 N11095 [0,2,0,0,0,0|2,0,0]=4 452 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 Y10338 [0,2,0,0,0,0|2,0,0]=4 453 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 Y10646 [0,2,0,0,0,0|2,0,0]=4 454 B12R1.5 N#CC1=CC=C(C(=O)CO)C=C1 AC6010 [0,2,0,0,0,0|1,0,1]=4 455 B12R1.5 N#CC1=CC=C([C@@H](N)CO)C=C1 Y12062 [0,2,0,0,0,0|1,0,1]=4 456 B12R1.5 N#CC1=CC=C([C@@H](N)CO)C=C1 Y12063 [0,2,0,0,0,0|1,0,1]=4 457 B12R1.6 CC(C)(C)C1=NC=C(C=O)C=C1 56897 [0,2,0,0,0,0|1,0,0]=3 458 B12R1.6 CC(C)(N)C1=CC=C(C#N)C=C1 AC3687 [0,2,0,0,0,0|1,0,1]=4 459 B12R1.6 CNC1=CC=C(S(N)(=O)=O)C=C1 AT23136 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 N11053 [0,2,0,0,0,0|2,0,0]=4 461 B12R1.6 COC1=CC=C(P(=O)(O)O)C=C1 T72088 [0,2,0,0,0,0|2,0,0]=4 462 B12R1.6 CS(=O)(=O)C1=NC=C(C=O)C=C1 O11510 [0,2,0,0,0,0|2,0,0]=4 463 B12R1.6 NS(=O)(=O)C1=CC=C(C=O)C=C1 68668 [0,2,0,0,0,0|2,0,0]=4 464 B12R1.6 NS(=O)(=O)C1=CC=C(CBr)C=C1 26150 [0,2,0,0,0,0|2,0,0]=4 465 B12R1.6 NS(=O)(=O)C1=CC=C(CO)C=C1 N16854 [0,2,0,0,0,0|2,0,0]=4 466 B12R1.6 O=CC1=CC=C(S(=O)(=O)O)C=C1 79124 [0,2,0,0,0,0|2,0,0]=4 467 B12R1.6 O=S(=O)(F)C1=CC=C(CBr)C=C1 AT12032 [0,2,0,0,0,0|2,0,0]=4 468 B12R1.6 O=S(=O)([O-])C1=CC=C(CBr)C=C1 C15572 [0,2,0,0,0,0|2,0,0]=4 469 B12R1.48 C#CC1=C(C)C=C(C(=O)O)C=C1 C72433 [0,2,0,0,0,0|0,0,2]=4 470 B12R1.48 CC(=O)C1=CC(C)=C(C#N)C=C1 34118 [0,2,0,0,0,0|1,0,1]=4 471 B12R1.48 CC1=C(C=O)C=CC([N+](=O)[O-])=C1 CL9490 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.48 CCC1=C(Br)C=C(C(=O)O)C=C1 C77389 [0,2,0,0,0,0|0,0,0]=2 473 B12R1.48 CCC1=C(Br)C=C([N+](=O)[O-])C=C1 27929 [0,2,0,0,0,0|1,0,0]=3 474 B12R1.48 CCC1=C(F)C=C(C(=O)O)C=C1 36886 [0,2,0,0,0,0|0,0,0]=2 475 B12R1.48 CCN1C=CC(C(=O)O)=CC1=O C71409 [0,2,0,0,0,0|1,0,0]=3 476 B12R1.48 CN(C)C1=CC(Cl)=C(C=O)C=C1 T70273 [0,2,0,0,0,0|1,0,0]=3 477 B12R1.48 CNC1=C(C)C=C([N+](=O)[O-])C=C1 C71178 [0,2,0,0,0,0|2,0,0]=4 478 B12R1.48 CNC1=C(N)C=C(C(C)=O)C=C1 24155 [0,2,0,0,0,0|1,0,0]=3 479 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=N1 C10744 [0,2,0,0,0,0|2,0,0]=4 480 B12R1.48 COC1=C(Cl)C=C(C(=O)O)N=C1 P11632 [0,2,0,0,0,0|2,0,0]=4 481 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 N12277 [0,2,0,0,0,0|2,0,0]=4 482 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 Y10287 [0,2,0,0,0,0|2,0,0]=4 483 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 Y10288 [0,2,0,0,0,0|2,0,0]=4 484 B12R1.48 COC1=COC(C(=O)O)=CC1=O A11938 [0,2,0,0,0,0|2,0,0]=4 485 B12R1.48 COC1=NC=C(C(=O)O)C=C1C 72479 [0,2,0,0,0,0|2,0,0]=4 486 B12R1.48 N#CC1=C(Br)C=C(C(=O)O)C=C1 AB6375 [0,2,0,0,0,0|1,0,1]=4 487 B12R1.48 N#CC1=C(Cl)C=C(C(=O)O)C=C1 95966 [0,2,0,0,0,0|1,0,1]=4 488 B12R1.48 N#CC1=C(N)C=C(C(=O)O)C=C1 CL9384 [0,2,0,0,0,0|1,0,1]=4 489 B12R1.48 NC1=C(C=O)C=CC([N+](=O)[O-])=C1 F15864 [0,2,0,0,0,0|2,0,0]=4 490 B12R1.48 NCC1=C(F)C=C([N+](=O)[O-])C=C1 70945 [0,2,0,0,0,0|2,0,0]=4 491 B12R1.48 O=C(O)C1=CC(F)=C(CBr)C=C1 C90464 [0,2,0,0,0,0|1,0,0]=3 492 B12R1.48 O=C(O)C1=CC(F)=C(CO)C=C1 W10220 [0,2,0,0,0,0|1,0,0]=3 493 B12R1.48 O=C(O)C1=CC(O)=C(CO)C=C1 D80533 [0,2,0,0,0,0|1,0,0]=3 494 B12R1.48 O=CC1=C(Br)C=C(C(=O)O)C=C1 AC1747 [0,2,0,0,0,0|1,0,1]=4 495 B12R1.48 O=CC1=C(Br)C=C([N+](=O)[O-])C=C1 20346 [0,2,0,0,0,0|2,0,0]=4 496 B12R1.48 O=CC1=C(Cl)C=C(C(=O)O)C=C1 CL9202 [0,2,0,0,0,0|1,0,1]=4 497 B12R1.48 O=CC1=C(Cl)C=C(C(F)F)N=C1 D80136 [0,2,0,0,0,0|2,0,0]=4 498 B12R1.48 O=[N+]([O-])C1=CC(I)=C(CBr)C=C1 98277 [0,2,0,0,0,0|2,0,0]=4 499 B12R1.48 O=[N+]([O-])C1=CC(I)=C(CO)C=C1 W18242 [0,2,0,0,0,0|2,0,0]=4 500 B12R1.113 C=CCC1=CC=C(C(=O)O)C=C1 D93345 [0,2,0,0,0,0|0,0,1]=3 501 B12R1.113 CC(=O)C1=CC=C(CCBr)C=C1 CL9094 [0,2,0,0,0,0|0,0,0]=2 502 B12R1.113 CC(C)C1=CC=C(CC=O)C=C1 78059 [0,2,0,0,0,0|0,0,0]=2 503 B12R1.113 CC(C)C1=CC=C(CCN)C=C1 W17705 [0,2,0,0,0,0|1,0,1]=4 504 B12R1.113 CCOC1=CC=C(C(N)=S)C=C1 76923 [0,2,0,0,0,0|0,1,0]=3 505 B12R1.113 CCOC1=CC=C([C@H](C)O)C=C1 A12294 [0,2,0,0,0,0|0,0,2]=4 506 B12R1.113 CCOC1=CN=C(C(=O)O)C=C1 C77361 [0,2,0,0,0,0|1,0,0]=3 507 B12R1.113 CCOC1=CN=C(C(=O)O)C=N1 36273 [0,2,0,0,0,0|2,0,0]=4 508 B12R1.113 CN(C)C1=CC=C(CCN)C=C1 25981 [0,2,0,0,0,0|2,0,0]=4 509 B12R1.113 CNCC1=CC=C(B(O)O)C=C1 I12448 [0,2,0,0,0,0|1,0,1]=4 510 B12R1.113 CNCC1=CC=C([N+](=O)[O-])C=C1 76740 [0,2,0,0,0,0|1,0,0]=3 511 B12R1.113 O=C(O)C1=CC=C(C#CBr)C=C1 W15469 [0,2,0,0,0,0|0,0,2]=4 512 B12R1.113 O=C(O)C1=CC=C(CCO)C=C1 C75240 [0,2,0,0,0,0|0,0,0]=2 513 B12R1.256 CC(=O)C1=CC=C([C@H](C)N)C=C1 20153 [0,2,0,0,0,0|0,0,0]=2 514 B12R1.256 CC(=O)C1=CN=C(C(C)C)C=C1 D84331 [0,2,0,0,0,0|1,0,0]=3 515 B12R1.256 CC(=O)C1=NC=C(C(C)C)C=C1 C72515 [0,2,0,0,0,0|1,0,0]=3 516 B12R1.256 CC(C)C1=CC=C([C@H](C)N)C=C1 AT12999 [0,2,0,0,0,0|1,0,1]=4 517 B12R1.256 CC(C)C1=CC=C([C@H](C)N)C=C1 AT13000 [0,2,0,0,0,0|1,0,1]=4 518 B12R1.256 CC(C)C1=NC=C(C(=O)O)C=C1 O11601 [0,2,0,0,0,0|1,0,0]=3 519 B12R1.256 C[C@H](Br)C1=CC=C([N+](=O)[O-])C=C1 F52534 [0,2,0,0,0,0|1,0,0]=3 520 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 F31037 [0,2,0,0,0,0|0,0,0]=2 521 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 Y10456 [0,2,0,0,0,0|0,0,0]=2 522 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 Y10681 [0,2,0,0,0,0|0,0,0]=2 523 B12R1.256 C[C@H](N)C1=CC=C(C(F)F)C=C1 N14664 [0,2,0,0,0,0|1,0,1]=4 524 B12R1.256 C[C@H](N)C1=CC=C(N(C)C)C=C1 I10507 [0,2,0,0,0,0|2,0,0]=4 525 B12R1.256 C[C@H](N)C1=CC=C(N(C)C)C=C1 Y10813 [0,2,0,0,0,0|2,0,0]=4 526 B12R1.256 C[C@H](N)C1=CC=C(N(C)C)C=C1 Y10953 [0,2,0,0,0,0|2,0,0]=4 527 B12R1.256 C[C@H](N)C1=CC=C([N+](=O)[O-])C=C1 Y10258 [0,2,0,0,0,0|1,0,0]=3 528 B12R1.256 C[C@H](O)C1=CC=C(B(O)O)C=C1 33993 [0,2,0,0,0,0|1,0,1]=4 529 B12R1.256 C[C@H](O)C1=CC=C(C(=O)O)C=C1 C77341 [0,2,0,0,0,0|0,0,0]=2 530 B12R1.256 C[C@H](O)C1=CC=C(C(N)=O)C=C1 C71562 [0,2,0,0,0,0|0,0,0]=2 531 B12R1.256 C[C@H](O)C1=CC=C([N+](=O)[O-])C=C1 A12664 [0,2,0,0,0,0|1,0,0]=3 532 B12R1.256 O=C(O)C1=CC=C(C(F)F)C=C1 94898 [0,2,0,0,0,0|1,0,0]=3 533 B12R1.256 O=C(O)C1=CC=C([N+](=O)[O-])C=C1 C12929 [0,2,0,0,0,0|2,0,0]=4 534 B12R1.256 O=C(O)C1=CN=C(C(F)F)C=C1 W11081 [0,2,0,0,0,0|2,0,0]=4 535 B12R1.452 CC1=C(N(C)C)C=CC(C=O)=C1 W17054 [0,2,0,0,0,0|1,0,0]=3 536 B12R1.452 CCC1=CC(F)=C(C(N)=O)C=C1 D79253 [0,2,0,0,0,0|0,0,0]=2 537 B12R1.452 COC1=CC(C)=C(C(N)=O)C=C1 F15895 [0,2,0,0,0,0|1,0,0]=3 538 B12R1.452 COC1=CC(C)=C([C@H](C)N)C=C1 Y11737 [0,2,0,0,0,0|2,0,0]=4 539 B12R1.452 COC1=CC(C)=C([C@H](C)N)C=C1 Y11923 [0,2,0,0,0,0|2,0,0]=4 540 B12R1.452 COC1=CC(C)=C([C@H](C)N)C=C1 Y11924 [0,2,0,0,0,0|2,0,0]=4 541 B12R1.452 COC1=CC(Cl)=C(C(=O)O)N=C1 O10984 [0,2,0,0,0,0|2,0,0]=4 542 B12R1.452 COC1=CC(Cl)=C(C(C)=O)C=C1 75061 [0,2,0,0,0,0|1,0,0]=3 543 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 Y11507 [0,2,0,0,0,0|2,0,0]=4 544 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 Y11508 [0,2,0,0,0,0|2,0,0]=4 545 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 Y13370 [0,2,0,0,0,0|2,0,0]=4 546 B12R1.452 COC1=CC(Cl)=C([N+](=O)[O-])C=C1 S10425 [0,2,0,0,0,0|2,0,0]=4 547 B12R1.452 COC1=CC(F)=C(C(=O)O)N=C1 80030 [0,2,0,0,0,0|2,0,0]=4 548 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 Y10213 [0,2,0,0,0,0|2,0,0]=4 549 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 Y10289 [0,2,0,0,0,0|2,0,0]=4 550 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 Y11913 [0,2,0,0,0,0|2,0,0]=4 551 B12R1.452 COC1=CC(N)=C(C(=O)O)C=N1 P11630 [0,2,0,0,0,0|2,0,0]=4 552 B12R1.452 COC1=CC(N)=C(C(C)=O)C=C1 52087 [0,2,0,0,0,0|1,0,0]=3 553 B12R1.452 COC1=CC=C(C(=O)O)C(=O)N1 D80739 [0,2,0,0,0,0|2,0,0]=4 554 B12R1.452 COC1=CC=C(C(=O)O)C(Br)=N1 O10693 [0,2,0,0,0,0|2,0,0]=4 555 B12R1.452 COC1=CC=C(C(=O)O)C(Cl)=N1 89001 [0,2,0,0,0,0|2,0,0]=4 556 B12R1.452 COC1=CN=C(C(=O)O)C(N)=C1 N17024 [0,2,0,0,0,0|2,0,0]=4 557 B12R1.452 COC1=NC(C)=C(C(=O)O)C=C1 24363 [0,2,0,0,0,0|2,0,0]=4 558 B12R1.452 COC1=NC(N)=C(C(=O)O)C=C1 F31118 [0,2,0,0,0,0|2,0,0]=4 559 B12R1.452 CSC1=CC(C)=C(C(=O)O)C=C1 75574 [0,2,0,0,0,0|1,0,0]=3 560 B12R1.452 C[C@H](N)C1=C(Cl)C=C(C#N)C=C1 D81128 [0,2,0,0,0,0|1,0,1]=4 561 B12R1.452 C[C@H](N)C1=C(F)C=C(C#N)C=C1 D80837 [0,2,0,0,0,0|1,0,1]=4 562 B12R1.452 N#CC1=CC(I)=C(C(=O)O)C=C1 80126 [0,2,0,0,0,0|1,0,1]=4 563 B12R1.452 N#CC1=CC(N)=C(C(=O)O)C=C1 CL9383 [0,2,0,0,0,0|1,0,1]=4 564 B12R1.452 O=CC1=CC(Cl)=C(B(O)O)C=C1 F30071 [0,2,0,0,0,0|2,0,0]=4 565 B12R1.452 O=CC1=CC(Cl)=C(C(=O)O)C=C1 N10574 [0,2,0,0,0,0|1,0,1]=4 566 B12R1.452 O=CC1=CC(F)=C(C(=O)O)C=C1 D95103 [0,2,0,0,0,0|1,0,1]=4 567 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 C77608 [0,2,0,0,0,0|1,0,0]=3 568 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 F19945 [0,2,0,0,0,0|1,0,0]=3 569 B12R1.4 CC(C)NC1=CC=C(C#N)C=C1 W15912 [0,2,0,0,0,0|1,0,1]=4 570 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 N12164 [0,2,0,0,0,0|1,0,1]=4 571 B12R1.4 CCC1=CC=C(NC(C)=O)C=C1 Y10852 [0,2,0,0,0,0|0,0,0]=2 572 B12R1.4 CN(C)CC1=CC=C(C#N)C=C1 A12454 [0,2,0,0,0,0|1,0,1]=4 573 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13064 [0,2,0,0,0,0|2,0,0]=4 574 B12R1.4 COC1=CC=C(OC(C)=O)C=C1 C11131 [0,2,0,0,0,0|1,0,0]=3 575 B12R1.4 C[S@](=O)CC1=CC=C(C#N)C=C1 W19328 [0,2,0,0,0,0|1,0,1]=4 576 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 CK1029 [0,2,0,0,0,0|1,0,0]=3 577 B12R1.4 O=C(O)CC1=CC=C(CCl)C=C1 AC6356 [0,2,0,0,0,0|1,0,0]=3 578 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 CX1079 [0,2,0,0,0,0|0,0,1]=3 579 B12R1.4 O=CC1=CN=C(OC(F)F)C=C1 O11504 [0,2,0,0,0,0|2,0,0]=4 580 B12R1.71 C=CC1=CC=C(CCCN)C=C1 W17096 [0,2,0,0,0,0|1,0,0]=3 581 B12R1.71 COC1=CC=C(CCCBr)C=C1 C78319 [0,2,0,0,0,0|2,0,0]=4 582 B12R1.71 COC1=CC=C(OCCBr)C=C1 F30177 [0,2,0,0,0,0|2,0,0]=4 583 B12R1.71 CSC1=CC=C(OCCN)C=C1 31479 [0,2,0,0,0,0|2,0,0]=4 584 B12R1.71 N#CC1=CC=C(OCCN)C=C1 32298 [0,2,0,0,0,0|1,0,1]=4 585 B12R1.71 O=CC1=CC=C(OCCBr)C=C1 AC1815 [0,2,0,0,0,0|0,0,0]=2 586 B12R1.114 CCOC1=C(Cl)C=C(C#N)C=C1 AB8875 [0,2,0,0,0,0|1,0,1]=4 587 B12R1.114 CCOC1=C(F)C=C(C=O)C=C1 F30104 [0,2,0,0,0,0|0,0,0]=2 588 B12R1.114 COC1=CC(F)=C(CCN)C=C1 F20047 [0,2,0,0,0,0|2,0,0]=4 589 B12R1.116 CCOC1=CC=C(OCC)C=C1 D76500 [0,2,0,0,0,0|1,0,1]=4 590 B12R1.116 N#CCC1=CC=C(N=C=O)C=C1 D93182 [0,2,0,0,0,0|0,0,2]=4 591 B12R1.288 CCOC1=CC(F)=C(CO)C=C1 D83523 [0,2,0,0,0,0|0,0,2]=4 592 B12R1.288 CCOC1=CC(O)=C(C=O)C=C1 11674 [0,2,0,0,0,0|0,0,0]=2 593 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 C75755 [0,2,0,0,0,0|2,0,0]=4 594 B12R1.78 COC1=C(C#N)C=CC(C=O)=C1 D76548 [0,2,0,0,0,0|1,0,1]=4 595 B12R1.78 COC1=CC(C=O)=CN=C1OC 72230 [0,2,0,0,0,0|2,0,0]=4 596 B12R1.78 N#CC1=C(C#N)C=C(C=O)C=C1 D83383 [0,2,0,0,0,0|1,0,1]=4 597 B12R1.301 COC1=CC(O)=C(C=O)C(C)=C1 F20277 [0,2,0,0,0,0|1,0,0]=3 598 B12R1.301 N#CC1=CC(F)=C(C=O)C(F)=C1 54279 [0,2,0,0,0,0|1,0,1]=4 599 B12R1.450 CC1=CC(C=O)=C(C)C=C1C=O D94663 [0,2,0,0,0,0|1,0,1]=4 600 B12R1.450 N#CC1=C(F)C=C(C=O)C(F)=C1 CL9493 [0,2,0,0,0,0|1,0,1]=4 601 B12R1.450 O=CC1=CC(Br)=C(C=O)C=C1Br I11276 [0,2,0,0,0,0|1,0,1]=4 602 B12R1.450 O=CC1=CC(O)=C(C=O)C=C1O 11669 [0,2,0,0,0,0|1,0,1]=4 603 B12R1.653 COC1=C(O)C(O)=C(C=O)C=C1 C75056 [0,2,0,0,0,0|1,0,0]=3 604 B12R1.653 COC1=CC=C(C=O)C(F)=C1Br F18622 [0,2,0,0,0,0|1,0,0]=3 605 B12R1.653 COC1=CC=C(C=O)C(O)=C1Cl 32661 [0,2,0,0,0,0|1,0,0]=3 606 B12R1.653 O=CC1=C(O)C(O)=C(C=O)C=C1 C72817 [0,2,0,0,0,0|1,0,1]=4 607 B10R1.2 CCC1=CC=CC(O)=C1O C77203 [0,0,1,1,0,0|1,0,1]=4 608 B10R2.31 NC1=CC2=C(C=C1)CC2 67858 [1,0,0,1,0,0|1,0,0]=3 609 B10R2.31 NC1=CC2=C(C=C1)CC2 D83029 [1,0,0,1,0,0|1,0,0]=3 610 B12R2.9 N#CC1=CC=C(C2CC2)C=C1 51708 [0,1,0,1,0,0|1,0,1]=4 611 B12R2.9 NCC1=CC=C(C2CC2)C=C1 70989 [0,1,0,1,0,0|1,0,1]=4 612 B12R2.9 O=CC1=CN=C(C2CC2)N=C1 81899 [0,1,0,1,0,0|2,0,0]=4 613 B12R2.9 OCC1=CC=C(C2CC2)C=C1 51967 [0,1,0,1,0,0|0,0,2]=4 614 B12R2.1384 O=C(O)C1=CC2=C(C=C1)CC2 67661 [0,1,0,1,0,0|0,0,0]=2 615 B12R2.1384 OB(O)C1=CC2=C(C=C1)CC2 67942 [0,1,0,1,0,0|1,0,1]=4 616 B12R2.44 BrCC1=CC2=C(C=C1)C=NN2 27392 [0,1,0,1,0,0|2,0,0]=4 617 B12R2.44 BrCC1=CC2=C(C=C1)OC=N2 O11298 [0,1,0,1,0,0|2,0,0]=4 618 B12R2.44 BrCC1=CC2=C(C=C1)SC=C2 C71069 [0,1,0,1,0,0|2,0,0]=4 619 B12R2.44 C=CC1=CC2=C(C=C1)OCO2 S11942 [0,1,0,1,0,0|2,0,0]=4 620 B12R2.44 COC1=CC2=C(C=C1)C=NN2 25976 [0,1,0,1,0,0|2,0,0]=4 621 B12R2.44 COC1=CC2=C(C=C1)CCN2 Y10745 [0,1,0,1,0,0|2,0,0]=4 622 B12R2.44 COC1=CC2=C(C=C1)CNC2 64065 [0,1,0,1,0,0|2,0,0]=4 623 B12R2.44 COC1=CC2=C(C=C1)OC=C2 85079 [0,1,0,1,0,0|2,0,0]=4 624 B12R2.44 COC1=CC2=C(C=C1)OC=N2 AC3817 [0,1,0,1,0,0|2,0,0]=4 625 B12R2.44 COC1=CC2=C(C=C1)SC=C2 63588 [0,1,0,1,0,0|2,0,0]=4 626 B12R2.44 N#CC1=CC2=C(C=C1)CCN2 F31224 [0,1,0,1,0,0|1,0,1]=4 627 B12R2.44 N#CC1=CC2=C(C=C1)CCO2 P20227 [0,1,0,1,0,0|1,0,1]=4 628 B12R2.44 N#CC1=CC2=C(C=C1)CNC2 20795 [0,1,0,1,0,0|1,0,1]=4 629 B12R2.44 N#CC1=CC2=C(C=C1)CNC2 57350 [0,1,0,1,0,0|1,0,1]=4 630 B12R2.44 N#CC1=CC2=C(C=C1)NCC2 29812 [0,1,0,1,0,0|1,0,1]=4 631 B12R2.44 NCC1=CC2=C(C=C1)C=NN2 P10727 [0,1,0,1,0,0|2,0,0]=4 632 B12R2.44 NCC1=CC2=C(C=C1)CCC2 W11761 [0,1,0,1,0,0|1,0,1]=4 633 B12R2.44 NCC1=CC2=C(C=C1)CCC2 Y11717 [0,1,0,1,0,0|1,0,1]=4 634 B12R2.44 NCC1=CC2=C(C=C1)CCO2 N14319 [0,1,0,1,0,0|1,0,1]=4 635 B12R2.44 NCC1=CC2=C(C=C1)CCO2 Y13364 [0,1,0,1,0,0|1,0,1]=4 636 B12R2.44 NCC1=CC2=C(C=C1)NCC2 W19193 [0,1,0,1,0,0|1,0,1]=4 637 B12R2.44 O=CC1=CC2=C(C=C1)COC2 71932 [0,1,0,1,0,0|0,0,0]=2 638 B12R2.44 O=CC1=CC2=C(C=C1)N=CO2 F11397 [0,1,0,1,0,0|1,0,1]=4 639 B12R2.44 O=CC1=CC2=C(C=C1)OC=N2 Y10438 [0,1,0,1,0,0|1,0,1]=4 640 B12R2.44 O=CC1=CC2=C(C=C1)SC=N2 F13990 [0,1,0,1,0,0|1,0,1]=4 641 B12R2.44 O=CC1=CC2=C(C=CS2)C=C1 F18049 [0,1,0,1,0,0|0,0,2]=4 642 B12R2.44 OCC1=CC2=C(C=C1)CCO2 Y10452 [0,1,0,1,0,0|0,0,2]=4 643 B12R2.44 OCC1=CC2=C(C=C1)COC2 72635 [0,1,0,1,0,0|0,0,2]=4 644 B12R2.44 OCC1=CC2=C(C=C1)N=CS2 98446 [0,1,0,1,0,0|1,1,0]=4 645 B12R2.44 OCC1=CC2=C(C=C1)NC=N2 30434 [0,1,0,1,0,0|2,0,0]=4 646 B12R2.44 OCC1=CC2=C(C=C1)SC=C2 P10310 [0,1,0,1,0,0|2,0,0]=4 647 B12R2.44 OCC1=CC2=C(C=C1)SC=N2 F13985 [0,1,0,1,0,0|2,0,0]=4 648 B12R2.44 OCC1=CC2=C(C=CS2)C=C1 F18065 [0,1,0,1,0,0|1,1,0]=4 649 B8R1.1 CC1=CC(C=O)=CS1 P15425 [1,0,0,0,1,0|1,0,0]=3 650 B8R1.1 CC1=CC=C(C=O)N1 29847 [1,0,0,0,1,0|1,0,0]=3 651 B8R1.1 CC1=CN=C(C=O)S1 25174 [1,0,0,0,1,0|2,0,0]=4 652 B8R1.1 CC1=CNC(C=O)=C1 D84258 [1,0,0,0,1,0|1,0,0]=3 653 B8R1.1 CC1=CNC(C=O)=N1 23109 [1,0,0,0,1,0|2,0,0]=4 654 B8R1.1 CC1=COC(C=O)=N1 P10997 [1,0,0,0,1,0|2,0,0]=4 655 B8R1.1 CC1=NC=C(C=O)O1 C10143 [1,0,0,0,1,0|2,0,0]=4 656 B8R1.1 CCC1=CC=C(C)O1 A12137 [1,0,0,0,1,0|1,0,1]=4 657 B8R1.1 CN1C=CC(C=O)=C1 AT16322 [1,0,0,0,1,0|1,0,0]=3 658 B8R1.1 O=CC1=CC(I)=CS1 Y10451 [1,0,0,0,1,0|2,0,0]=4 659 B8R1.1 O=CC1=CC=C(Br)N1 O11353 [1,0,0,0,1,0|2,0,0]=4 660 B8R1.1 O=CC1=CC=C(Cl)N1 D95169 [1,0,0,0,1,0|2,0,0]=4 661 B8R1.1 O=CC1=CNC(Br)=C1 F13792 [1,0,0,0,1,0|2,0,0]=4 662 B8R1.1 O=CC1=CSC(Br)=C1 P10686 [1,0,0,0,1,0|2,0,0]=4 663 B8R1.1 O=CC1=CSC(Cl)=C1 37628 [1,0,0,0,1,0|2,0,0]=4 664 B10R1.172 C#CC1=CC=CC(C=O)=C1 F21254 [0,0,0,0,1,1|0,0,2]=4 665 B10R1.172 C=CC1=CC=CC(C=O)=C1 C15241 [0,0,0,0,1,1|0,0,2]=4 666 B10R1.172 C=CC1=NC=CC(OC)=C1 52910 [0,0,0,0,1,1|2,0,0]=4 667 B10R1.172 CCC1=CC=CC(C=O)=N1 87877 [0,0,0,0,1,1|1,0,0]=3 668 B10R1.172 CNC1=NC=CC(C=O)=N1 26519 [0,0,0,0,1,1|2,0,0]=4 669 B10R1.172 COC1=NC=CC(C=O)=N1 27203 [0,0,0,0,1,1|2,0,0]=4 670 B10R1.172 CSC1=NC(C=O)=CC=N1 26756 [0,0,0,0,1,1|2,0,0]=4 671 B10R1.172 N#CC1=CC(C=O)=CN=C1 P10440 [0,0,0,0,1,1|1,0,1]=4 672 B10R1.172 N#CC1=CC(C=O)=NC=C1 FD10588 [0,0,0,0,1,1|1,0,1]=4 673 B10R1.172 N#CC1=NC=CC(C=O)=C1 P10358 [0,0,0,0,1,1|1,0,1]=4 674 B10R1.172 O=CC1=CC(CO)=CC=C1 N13346 [0,0,0,0,1,1|1,0,0]=3 675 B10R1.172 O=CC1=CC=CC(CF)=N1 C73928 [0,0,0,0,1,1|2,0,0]=4 676 B10R1.172 O=CC1=NC(CO)=CC=C1 78596 [0,0,0,0,1,1|2,0,0]=4