0 B12R1.4 C(=O)C1=CC=C(OC(C)=O)C=C1 002485 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.4 C=CC1=CC=C(OC(C)=O)C=C1 036627 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.4 CC(=O)NC1=CC=C(C=O)C=C1 100200 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.4 CC(=O)NC1=CC=C(CCl)C=C1 018145 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.4 CC(=O)OC1=CC=C(C#N)C=C1 097966 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.4 CCC1=CC=C(CC(=O)O)C=C1 314018 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.4 CCC1=CC=C(NC(N)=S)C=C1 018693 [0,0,0,0,0,0|3,1,0]=4 7 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 078964 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 003622 [0,0,0,0,0,0|0,0,0]=0 9 B12R1.4 COC1=CC=C(CC(N)=O)C=C1 040242 [0,0,0,0,0,0|1,0,0]=1 10 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 091550 [0,0,0,0,0,0|1,0,0]=1 11 B12R1.4 COC1=CC=C(NC(N)=O)C=C1 340783 [0,0,0,0,0,0|2,0,0]=2 12 B12R1.4 COC1=CC=C(NC(N)=S)C=C1 018810 [0,0,0,0,0,0|2,1,0]=3 13 B12R1.4 COC1=CC=C(SC(C)C)C=C1 097693 [0,0,0,0,0,0|2,0,1]=3 14 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 209286 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 047706 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 022868 [1,0,0,0,0,0|1,0,0]=2 17 B11R1.20 CC(=O)CC1=CC=C(C)C=C1 002599 [1,0,0,0,0,0|0,0,0]=1 18 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 002534 [1,0,0,0,0,0|1,0,0]=2 19 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 009228 [1,0,0,0,0,0|1,0,0]=2 20 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 079222 [1,0,0,0,0,0|0,0,0]=1 21 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 154805 [1,0,0,0,0,0|1,0,0]=2 22 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 003844 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 224669 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 005037 [1,0,0,0,0,0|1,0,0]=2 25 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 358280 [1,0,0,0,0,0|1,1,0]=3 26 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 040640 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.20 CC(=O)OC1=CC=C(Cl)C=C1 047898 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 003918 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.20 CC(=O)SC1=CC=C(Br)C=C1 103481 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.20 CC1=CC=C(CC(=O)Cl)C=C1 014710 [1,0,0,0,0,0|1,0,0]=2 31 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 001394 [1,0,0,0,0,0|1,0,0]=2 32 B11R1.20 CC1=CC=C(CC(N)=O)C=C1 103194 [1,0,0,0,0,0|1,0,0]=2 33 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 018865 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 018863 [1,0,0,0,0,0|2,1,0]=4 35 B11R1.20 CC1=CC=C(SC(C)C)C=C1 094759 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 229794 [1,0,0,0,0,0|2,0,0]=3 37 B11R1.20 NC(=O)CC1=CC=C(Cl)N=C1 387895 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.20 NC(=O)CC1=CC=C(F)C=C1 475850 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.20 NC(=O)CC1=CC=C(I)C=C1 103474 [1,0,0,0,0,0|2,0,0]=3 40 B11R1.20 NC(=O)NC1=CC=C(Br)C=C1 018320 [1,0,0,0,0,0|3,0,0]=4 41 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 018451 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.20 NC(=O)NC1=CC=C(F)C=C1 337180 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.20 NC(=O)NC1=CC=C(N)C=C1 036720 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.20 NC(=S)CC1=CC=C(Cl)C=C1 021352 [1,0,0,0,0,0|2,1,0]=4 45 B11R1.20 NC(=S)NC1=CC=C(O)C=C1 018733 [1,0,0,0,0,0|2,1,0]=4 46 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 043462 [1,0,0,0,0,0|2,0,0]=3 47 B11R1.20 O=C(Cl)CC1=CC=C(Br)C=C1 014714 [1,0,0,0,0,0|2,0,0]=3 48 B11R1.20 O=C(Cl)CC1=CC=C(Cl)C=C1 342030 [1,0,0,0,0,0|2,0,0]=3 49 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 009229 [1,0,0,0,0,0|2,0,0]=3 50 B11R1.20 O=C(Cl)OC1=CC=C(Cl)C=C1 240235 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 001227 [1,0,0,0,0,0|2,0,0]=3 52 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 046149 [1,0,0,0,0,0|2,0,0]=3 53 B11R1.20 O=C(O)CC1=CC=C(Cl)N=C1 040291 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 001294 [1,0,0,0,0,0|2,0,0]=3 55 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 038713 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 003630 [1,0,0,0,0,0|1,0,0]=2 57 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 494205 [1,0,0,0,0,0|1,1,0]=3 58 B11R1.83 C=CCC1=CC=C(OC)C=C1 022327 [1,0,0,0,0,0|0,0,1]=2 59 B11R1.83 CCC1=CC=C(CCN)C=C1 141300 [1,0,0,0,0,0|2,0,1]=4 60 B11R1.83 CCC1=CC=C(N=C=O)C=C1 046948 [1,0,0,0,0,0|2,0,1]=4 61 B11R1.83 CCOC1=CC=C(SC)C=C1 098464 [1,0,0,0,0,0|1,1,1]=4 62 B11R1.83 CCSC1=CC=C(OC)C=C1 094724 [1,0,0,0,0,0|1,0,1]=3 63 B11R1.83 CNCC1=CC=C(OC)C=C1 042366 [1,0,0,0,0,0|1,0,0]=2 64 B11R1.83 COC1=CC=C(CC#N)C=C1 048243 [1,0,0,0,0,0|1,0,1]=3 65 B11R1.83 COC1=CC=C(CCCl)C=C1 330010 [1,0,0,0,0,0|1,0,1]=3 66 B11R1.83 COC1=CC=C(CCN)C=C1 008885 [1,0,0,0,0,0|1,0,1]=3 67 B11R1.83 COC1=CC=C(CCO)C=C1 209105 [1,0,0,0,0,0|0,0,2]=3 68 B11R1.83 COC1=CC=C(CNN)C=C1 061213 [1,0,0,0,0,0|2,0,0]=3 69 B11R1.83 COC1=CC=C(CON)C=C1 044098 [1,0,0,0,0,0|2,0,0]=3 70 B11R1.83 COC1=CC=C(N=C=O)C=C1 046953 [1,0,0,0,0,0|1,0,1]=3 71 B11R1.83 COC1=CC=C(N=C=S)C=C1 001278 [1,0,0,0,0,0|1,1,1]=4 72 B11R1.83 COC1=CC=C(NC=O)C=C1 329772 [1,0,0,0,0,0|1,0,0]=2 73 B11R1.83 COCC1=CC=C(CN)C=C1 075961 [1,0,0,0,0,0|3,0,0]=4 74 B11R1.83 CSC1=CC=C(CC#N)C=C1 018877 [1,0,0,0,0,0|1,1,1]=4 75 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 209027 [1,0,0,0,0,0|0,0,1]=2 76 B11R1.83 C\N=C\C1=CC=C(OC)C=C1 080129 [1,0,0,0,0,0|1,0,1]=3 77 B13R1.5 COC(=O)CC1=CC=C(C=O)C=C1 242521 [0,1,0,0,0,0|2,0,0]=3 78 B13R1.5 COC(=O)CC1=CC=C(OC)C=C1 237689 [0,1,0,0,0,0|0,0,0]=1 79 B13R1.5 COC1=CC=C(CC(=O)NN)C=C1 045800 [0,1,0,0,0,0|1,0,0]=2 80 B13R1.5 COC1=CC=C(C\C(N)=N\O)C=C1 098051 [0,1,0,0,0,0|1,0,1]=3 81 B13R1.5 COC1=CC=C(NC(=O)CCl)C=C1 015705 [0,1,0,0,0,0|1,0,0]=2 82 B13R1.5 COC1=CC=C(NC(=S)NN)C=C1 018807 [0,1,0,0,0,0|2,1,0]=4 83 B13R1.5 CSC1=CC=C(NC(=O)CCl)C=C1 033308 [0,1,0,0,0,0|1,1,0]=3 84 B13R1.35 COC1=C(Br)C=C(CC(=O)O)C=C1 112400 [0,1,0,0,0,0|1,0,0]=2 85 B13R1.35 COC1=C(C)C=C(CC(=O)O)C=C1 018791 [0,1,0,0,0,0|1,0,0]=2 86 B13R1.35 COC1=C(O)C=C(CC(=O)O)C=C1 002579 [0,1,0,0,0,0|1,0,0]=2 87 B13R1.35 COC1=CC=C(CC(=O)O)C=C1F 021901 [0,1,0,0,0,0|1,0,0]=2 88 B13R1.35 COC1=CC=C(NC(C)=O)C=C1N 233061 [0,1,0,0,0,0|1,0,0]=2 89 B13R1.36 COC1=CC=C(C(O)C(=O)O)C=C1 209884 [0,1,0,0,0,0|1,0,0]=2 90 B13R1.142 CC(=O)NC1=CC=C(CC#N)C=C1 018146 [0,1,0,0,0,0|2,0,1]=4 91 B13R1.142 CCOC1=CC=C(NC(C)=O)C=C1 102853 [0,1,0,0,0,0|1,0,0]=2 92 B13R1.142 CCOC1=CC=C(NC(N)=S)C=C1 018677 [0,1,0,0,0,0|2,1,0]=4 93 B13R1.142 N#[N+][N-]C1=CC=C(CC(=O)O)C=C1 402247 [0,1,0,0,0,0|3,0,0]=4 94 B13R1.585 CC(=O)C1=CC=C(CC(C)C)C=C1 341718 [0,1,0,0,0,0|2,0,1]=4 95 B13R1.585 CC(=O)NC1=CC=C(B(O)O)C=C1 010749 [0,1,0,0,0,0|3,0,0]=4 96 B13R1.585 CC(=O)NC1=CC=C(C(=O)O)C=C1 238974 [0,1,0,0,0,0|3,0,0]=4 97 B13R1.585 CC(=O)NC1=CC=C(C(C)=O)C=C1 358438 [0,1,0,0,0,0|2,0,0]=3 98 B13R1.585 CC(=O)NC1=CC=C([N+](=O)[O-])C=C1 038239 [0,1,0,0,0,0|3,0,0]=4 99 B13R1.585 CC(=O)OC1=CC=C(C(=O)O)C=C1 018147 [0,1,0,0,0,0|3,0,0]=4 100 B13R1.585 CC(=O)OC1=CC=C(C(C)=O)C=C1 219543 [0,1,0,0,0,0|2,0,0]=3 101 B13R1.585 CC(=O)OC1=CC=C([N+](=O)[O-])C=C1 215553 [0,1,0,0,0,0|3,0,0]=4 102 B13R1.585 CC(C)C1=CC=C(CC(=O)O)C=C1 091983 [0,1,0,0,0,0|2,0,0]=3 103 B13R1.585 CN(C)C1=CC=C(CC(=O)O)C=C1 065681 [0,1,0,0,0,0|2,0,0]=3 104 B13R1.585 O=C(O)CC1=CC=C(C(=O)O)C=C1 078596 [0,1,0,0,0,0|3,0,0]=4 105 B13R1.585 O=C(O)CC1=CC=C([N+](=O)[O-])C=C1 214649 [0,1,0,0,0,0|3,0,0]=4 106 B13R1.653 COC1=CC(Br)=C(CC(=O)O)C=C1 043446 [0,1,0,0,0,0|1,0,0]=2 107 B13R2.2121 COC1=CC2=C(C=C1)N=C(N)S2 048096 [0,0,0,1,0,0|2,1,0]=4 108 B13R2.2121 COC1=CC2=C(C=C1)NC(C)=C2 092347 [0,0,0,1,0,0|2,0,0]=3 109 B13R2.2121 COC1=CC=C2N=C(Br)SC2=C1 037004 [0,0,0,1,0,0|2,1,0]=4 110 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 047874 [0,0,0,0,1,0|2,0,1]=4 111 B11R1.3 C#CC1=CC=C(C(=O)[O-])C=C1 041852 [0,0,0,0,1,0|2,0,1]=4 112 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 045982 [0,0,0,0,1,0|1,0,1]=3 113 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 001222 [0,0,0,0,1,0|2,0,1]=4 114 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 078587 [0,0,0,0,1,0|2,0,0]=3 115 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 079582 [0,0,0,0,1,0|2,0,0]=3 116 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 018679 [0,0,0,0,1,0|2,0,0]=3 117 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 065850 [0,0,0,0,1,0|2,0,0]=3 118 B11R1.3 CCC1=CC=C(C(N)=O)C=C1 104617 [0,0,0,0,1,0|2,0,0]=3 119 B11R1.3 CCC1=CC=C(C(N)=S)C=C1 347738 [0,0,0,0,1,0|2,1,0]=4 120 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 235735 [0,0,0,0,1,0|2,0,0]=3 121 B11R1.3 CNC1=CC=C([N+](=O)[O-])C=C1 003432 [0,0,0,0,1,0|3,0,0]=4 122 B11R1.3 COC1=CC=C(B(O)O)C=C1 003422 [0,0,0,0,1,0|2,0,1]=4 123 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 098865 [0,0,0,0,1,0|1,0,0]=2 124 B11R1.3 COC1=CC=C(C(=O)O)C=C1 065743 [0,0,0,0,1,0|1,0,0]=2 125 B11R1.3 COC1=CC=C(C(C)=O)C=C1 043293 [0,0,0,0,1,0|0,0,0]=1 126 B11R1.3 COC1=CC=C(C(C)=O)C=N1 046159 [0,0,0,0,1,0|1,0,0]=2 127 B11R1.3 COC1=CC=C(C(C)C)C=C1 225759 [0,0,0,0,1,0|1,0,1]=3 128 B11R1.3 COC1=CC=C(C(C)N)C=C1 030158 [0,0,0,0,1,0|1,0,1]=3 129 B11R1.3 COC1=CC=C(C(C)O)C=C1 002977 [0,0,0,0,1,0|0,0,2]=3 130 B11R1.3 COC1=CC=C(C(N)=O)C=C1 240987 [0,0,0,0,1,0|1,0,0]=2 131 B11R1.3 COC1=CC=C(C(N)=S)C=C1 021331 [0,0,0,0,1,0|1,1,0]=3 132 B11R1.3 COC1=CC=C(C(N)=S)C=C1 097901 [0,0,0,0,1,0|1,1,0]=3 133 B11R1.3 COC1=CC=C(N(C)C)C=C1 330113 [0,0,0,0,1,0|2,0,0]=3 134 B11R1.3 COC1=CC=C([C@@H](C)N)C=C1 042889 [0,0,0,0,1,0|1,0,1]=3 135 B11R1.3 COC1=CC=C([C@@H](C)N)C=C1 210022 [0,0,0,0,1,0|1,0,1]=3 136 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 040169 [0,0,0,0,1,0|1,0,1]=3 137 B11R1.3 COC1=CC=C([N+](=O)[O-])C=C1 209126 [0,0,0,0,1,0|2,0,0]=3 138 B11R1.3 COC1=CN=C(C(=O)O)C=N1 076463 [0,0,0,0,1,0|3,0,0]=4 139 B11R1.3 COC1=NC=C(C(=O)O)C=C1 043843 [0,0,0,0,1,0|2,0,0]=3 140 B11R1.3 COC1=NC=C([N+](=O)[O-])C=C1 045078 [0,0,0,0,1,0|3,0,0]=4 141 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 023852 [0,0,0,0,1,0|0,1,0]=2 142 B11R1.3 CSC1=CC=C(C(N)=S)C=C1 097883 [0,0,0,0,1,0|1,2,0]=4 143 B11R1.3 N#CC1=CC=C(C(=O)Cl)C=C1 050750 [0,0,0,0,1,0|3,0,0]=4 144 B11R1.3 N#CC1=CC=C(C(=O)O)C=C1 075232 [0,0,0,0,1,0|3,0,0]=4 145 B11R1.3 N#CC1=CC=C(C(N)=O)C=C1 229100 [0,0,0,0,1,0|3,0,0]=4 146 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 214679 [0,0,0,0,1,0|3,0,0]=4 147 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 077969 [0,0,0,0,1,0|3,0,0]=4 148 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 103985 [0,0,0,0,1,0|3,0,0]=4 149 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 209100 [0,0,0,0,1,0|3,0,0]=4 150 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 210055 [0,0,0,0,1,0|3,0,0]=4 151 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 019226 [0,0,0,0,1,0|3,0,0]=4 152 B11R1.3 O=C(O)C1=CC=C(CCl)C=C1 091971 [0,0,0,0,1,0|3,0,0]=4 153 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 M02899 [0,0,0,0,1,0|3,0,0]=4 154 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 078635 [0,0,0,0,1,0|3,0,0]=4 155 B13R1.3 C=C(C)COC1=CC=C(C=O)C=C1 075451 [0,0,0,0,0,1|3,0,0]=4 156 B13R1.3 CC(=O)OCC1=CC=C(C#N)C=C1 097967 [0,0,0,0,0,1|2,0,0]=3 157 B13R1.3 CCC1=CC=C(CCC(=O)O)C=C1 047092 [0,0,0,0,0,1|2,0,0]=3 158 B13R1.3 CCC1=CC=C(OCC(N)=O)C=C1 106086 [0,0,0,0,0,1|2,0,0]=3 159 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 018803 [0,0,0,0,0,1|1,0,0]=2 160 B13R1.3 COC1=CC=C(OCC(N)=O)C=C1 106083 [0,0,0,0,0,1|1,0,0]=2 161 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 014003 [0,0,0,0,0,1|1,0,1]=3 162 B13R1.3 COC1=CC=C(\C=C\[N+](=O)[O-])C=C1 002591 [0,0,0,0,0,1|2,0,1]=4 163 B13R1.3 COC1=CC=C(\C=C\[N+](=O)[O-])C=C1 106682 [0,0,0,0,0,1|2,0,1]=4 164 B13R1.3 N#CC1=CC=C(NCC(=O)O)C=C1 079087 [0,0,0,0,0,1|3,0,0]=4 165 B13R1.3 N#CC1=CC=C(OCC(N)=O)C=C1 481427 [0,0,0,0,0,1|3,0,0]=4 166 B13R1.3 NC(=O)COC1=CC=C(C=O)C=C1 014195 [0,0,0,0,0,1|3,0,0]=4 167 B13R1.3 O=C(O)COC1=CC=C(CO)C=C1 M02894 [0,0,0,0,0,1|3,0,0]=4 168 B13R1.3 O=CC1=CC=C(OCC(=O)O)C=C1 358214 [0,0,0,0,0,1|3,0,0]=4 169 B10R1.1 CC1=CC=C(CC#N)C=C1 078705 [2,0,0,0,0,0|1,0,1]=4 170 B10R1.1 CC1=CC=C(CCN)C=C1 018851 [2,0,0,0,0,0|1,0,1]=4 171 B10R1.1 CC1=CC=C(CCO)C=C1 216320 [2,0,0,0,0,0|0,0,2]=4 172 B10R1.1 CC1=CC=C(N=C=O)C=C1 099850 [2,0,0,0,0,0|1,0,1]=4 173 B10R1.1 CC1=CC=C(NC=O)C=C1 180098 [2,0,0,0,0,0|1,0,0]=3 174 B10R1.1 CCCC1=CC=C(Cl)C=C1 018453 [2,0,0,0,0,0|1,0,1]=4 175 B10R1.1 CCCC1=CC=C(O)C=C1 068339 [2,0,0,0,0,0|0,0,1]=3 176 B10R1.1 CCOC1=CC=C(O)C=C1 049967 [2,0,0,0,0,0|1,0,1]=4 177 B10R1.1 CCSC1=CC=C(C)C=C1 094757 [2,0,0,0,0,0|1,0,1]=4 178 B10R1.1 CNCC1=CC=C(Br)C=C1 076658 [2,0,0,0,0,0|2,0,0]=4 179 B10R1.1 CNCC1=CC=C(C)C=C1 078911 [2,0,0,0,0,0|1,0,0]=3 180 B10R1.1 CNCC1=CC=C(F)C=C1 040105 [2,0,0,0,0,0|2,0,0]=4 181 B10R1.1 COCC1=CC=C(Br)C=C1 325028 [2,0,0,0,0,0|2,0,0]=4 182 B10R1.1 N#CCC1=CC=C(O)C=C1 018726 [2,0,0,0,0,0|1,0,1]=4 183 B10R1.1 NCCC1=CC=C(O)C=C1 078887 [2,0,0,0,0,0|1,0,1]=4 184 B10R1.1 NCCC1=CC=C(O)C=C1 241212 [2,0,0,0,0,0|1,0,1]=4 185 B10R1.1 OCCC1=CC=C(O)C=C1 077935 [2,0,0,0,0,0|0,0,2]=4 186 B10R1.18 CC(=O)NC1=CC=CC=C1 098888 [2,0,0,0,0,0|1,0,0]=3 187 B10R1.18 CC(=O)NC1=CC=CC=C1 236729 [2,0,0,0,0,0|1,0,0]=3 188 B10R1.18 CC(=O)NC1=CC=CN=C1 032565 [2,0,0,0,0,0|2,0,0]=4 189 B10R1.18 CC(=O)NC1=CC=NC=C1 235412 [2,0,0,0,0,0|2,0,0]=4 190 B10R1.18 CC(=O)OC1=CC=CC=C1 106321 [2,0,0,0,0,0|1,0,0]=3 191 B10R1.18 CC(=O)SC1=CC=CC=C1 180205 [2,0,0,0,0,0|1,0,0]=3 192 B10R1.18 CC(Br)CC1=CC=CC=C1 243231 [2,0,0,0,0,0|1,0,1]=4 193 B10R1.18 CC(O)CC1=CC=CC=C1 339985 [2,0,0,0,0,0|0,0,2]=4 194 B10R1.18 CN(C)CC1=CC=CC=C1 102405 [2,0,0,0,0,0|2,0,0]=4 195 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 036085 [2,0,0,0,0,0|0,0,2]=4 196 B10R1.18 C[C@H](O)CC1=CC=CC=C1 036086 [2,0,0,0,0,0|0,0,2]=4 197 B10R1.18 NC(=O)CC1=CC=CC=C1 018952 [2,0,0,0,0,0|1,0,0]=3 198 B10R1.18 NC(=O)OC1=CC=CC=C1 180113 [2,0,0,0,0,0|2,0,0]=4 199 B10R1.18 NC(=S)CC1=CC=CC=C1 047341 [2,0,0,0,0,0|1,1,0]=4 200 B10R1.18 O=C(Cl)CC1=CC=CC=C1 099401 [2,0,0,0,0,0|1,0,0]=3 201 B10R1.18 O=C(Cl)OC1=CC=CC=C1 235668 [2,0,0,0,0,0|2,0,0]=4 202 B10R1.18 O=C(Cl)SC1=CC=CC=C1 015276 [2,0,0,0,0,0|2,0,0]=4 203 B10R1.18 O=C(O)CC1=CC=CN=C1 066081 [2,0,0,0,0,0|2,0,0]=4 204 B10R1.18 O=C(O)CC1=CC=CN=C1 076680 [2,0,0,0,0,0|2,0,0]=4 205 B10R1.18 O=C(O)CC1=CC=NC=C1 001787 [2,0,0,0,0,0|2,0,0]=4 206 B10R1.18 O=C(O)CC1=NC=CC=C1 066003 [2,0,0,0,0,0|2,0,0]=4 207 B10R1.18 O=C(O)C[N+]1=CC=CC=C1 180385 [2,0,0,0,0,0|2,0,0]=4 208 B10R1.3 C#CC1=CC=C(C=O)C=C1 047872 [2,0,0,0,0,0|1,0,1]=4 209 B10R1.3 C#CC1=CC=C(CC)C=C1 078540 [2,0,0,0,0,0|1,0,1]=4 210 B10R1.3 C#CC1=CC=C(OC)C=C1 040076 [2,0,0,0,0,0|0,0,2]=4 211 B10R1.3 C=CC1=CC=C(OC)C=C1 236760 [2,0,0,0,0,0|0,0,1]=3 212 B10R1.3 CCC1=CC=C(C=O)C=C1 045132 [2,0,0,0,0,0|1,0,0]=3 213 B10R1.3 CCC1=CC=C(CCl)C=C1 018680 [2,0,0,0,0,0|2,0,0]=4 214 B10R1.3 CCC1=CC=C(CO)C=C1 237130 [2,0,0,0,0,0|1,0,1]=4 215 B10R1.3 CCC1=CC=C(NN)C=C1 023498 [2,0,0,0,0,0|2,0,0]=4 216 B10R1.3 CCC1=CC=C(OC)C=C1 235779 [2,0,0,0,0,0|0,0,0]=2 217 B10R1.3 CCC1=CC=C(SC)C=C1 019350 [2,0,0,0,0,0|0,1,0]=3 218 B10R1.3 CNC1=CC=C(OC)C=C1 009653 [2,0,0,0,0,0|1,0,0]=3 219 B10R1.3 COC1=CC=C(C#N)C=C1 035884 [2,0,0,0,0,0|1,0,1]=4 220 B10R1.3 COC1=CC=C(C=O)C=C1 079445 [2,0,0,0,0,0|0,0,0]=2 221 B10R1.3 COC1=CC=C(C=O)C=C1 098960 [2,0,0,0,0,0|0,0,0]=2 222 B10R1.3 COC1=CC=C(C=O)C=N1 040097 [2,0,0,0,0,0|1,0,0]=3 223 B10R1.3 COC1=CC=C(CBr)C=C1 067817 [2,0,0,0,0,0|1,0,0]=3 224 B10R1.3 COC1=CC=C(CN)C=C1 008876 [2,0,0,0,0,0|1,0,0]=3 225 B10R1.3 COC1=CC=C(CO)C=C1 094474 [2,0,0,0,0,0|0,0,1]=3 226 B10R1.3 COC1=CC=C(CS)C=C1 050468 [2,0,0,0,0,0|0,1,0]=3 227 B10R1.3 COC1=CC=C(NN)C=C1 012691 [2,0,0,0,0,0|2,0,0]=4 228 B10R1.3 COC1=CC=C(OC)C=C1 044664 [2,0,0,0,0,0|1,0,0]=3 229 B10R1.3 COC1=CC=C(SC)C=C1 003888 [2,0,0,0,0,0|1,0,0]=3 230 B10R1.3 COC1=CC=C([N+]#N)C=C1 390416 [2,0,0,0,0,0|2,0,0]=4 231 B10R1.3 CSC1=CC=C(C=O)C=C1 402351 [2,0,0,0,0,0|0,1,0]=3 232 B10R1.3 CSC1=CC=C(CCl)C=C1 018873 [2,0,0,0,0,0|1,1,0]=4 233 B10R1.3 CSC1=CC=C(CN)C=C1 009292 [2,0,0,0,0,0|1,1,0]=4 234 B10R1.3 CSC1=CC=C(CO)C=C1 103356 [2,0,0,0,0,0|0,1,1]=4 235 B10R1.3 N#CC1=CC=C(C=O)C=C1 049317 [2,0,0,0,0,0|2,0,0]=4 236 B10R1.3 O=CC1=CC=C(C=O)C=C1 169900 [2,0,0,0,0,0|2,0,0]=4 237 B10R1.3 O=CC1=CC=C(CO)C=C1 222581 [2,0,0,0,0,0|2,0,0]=4 238 B12R1.19 CC(=O)NC1=CC(F)=C(F)C=C1 013299 [1,1,0,0,0,0|2,0,0]=4 239 B12R1.19 CC1=C(C)C=C(NC(N)=O)C=C1 348908 [1,1,0,0,0,0|2,0,0]=4 240 B12R1.19 CC1=C(F)C=C(CC(=O)O)C=C1 005805 [1,1,0,0,0,0|1,0,0]=3 241 B12R1.19 O=C(Cl)CC1=CC=C(F)C(F)=C1 038315 [1,1,0,0,0,0|2,0,0]=4 242 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 024228 [1,1,0,0,0,0|1,0,0]=3 243 B12R1.19 O=C(O)CC1=CC(Cl)=C(Cl)C=C1 001384 [1,1,0,0,0,0|2,0,0]=4 244 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 005666 [1,1,0,0,0,0|2,0,0]=4 245 B12R1.19 O=C(O)CC1=CC(F)=C(F)C=C1 002092 [1,1,0,0,0,0|2,0,0]=4 246 B12R1.19 O=C(O)CC1=CC=C(O)C(Cl)=C1 209995 [1,1,0,0,0,0|1,0,0]=3 247 B12R1.19 O=C(O)CC1=CC=C(O)C(O)=C1 092681 [1,1,0,0,0,0|1,0,0]=3 248 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 023376 [1,1,0,0,0,0|1,0,1]=4 249 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 077631 [1,1,0,0,0,0|2,0,0]=4 250 B12R1.20 CC(C(=O)O)C1=CC=C(O)C=C1 245810 [1,1,0,0,0,0|1,0,0]=3 251 B12R1.20 CC1=CC=C(C(=O)C(=O)O)C=C1 394018 [1,1,0,0,0,0|1,0,1]=4 252 B12R1.20 CC1=CC=C(C(N)C(=O)O)C=C1 040245 [1,1,0,0,0,0|1,0,0]=3 253 B12R1.20 CC1=CC=C(C(O)C(=O)O)C=C1 180320 [1,1,0,0,0,0|1,0,0]=3 254 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 078029 [1,1,0,0,0,0|2,0,0]=4 255 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 040395 [1,1,0,0,0,0|2,0,0]=4 256 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 007904 [1,1,0,0,0,0|2,0,0]=4 257 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 034407 [1,1,0,0,0,0|2,0,0]=4 258 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 222543 [1,1,0,0,0,0|1,0,0]=3 259 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 040396 [1,1,0,0,0,0|2,0,0]=4 260 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 040273 [1,1,0,0,0,0|2,0,0]=4 261 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 093194 [1,1,0,0,0,0|1,0,0]=3 262 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 019427 [1,1,0,0,0,0|2,0,0]=4 263 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 229418 [1,1,0,0,0,0|2,0,0]=4 264 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 006259 [1,1,0,0,0,0|2,0,0]=4 265 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 209478 [1,1,0,0,0,0|1,0,0]=3 266 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 234352 [1,1,0,0,0,0|1,0,0]=3 267 B12R1.49 CC1=CC=C(C\C(N)=N\O)C=C1 098049 [1,1,0,0,0,0|1,0,1]=4 268 B12R1.49 CCC(=O)OC1=CC=C(Br)C=C1 043371 [1,1,0,0,0,0|2,0,0]=4 269 B12R1.49 CNC(=O)CC1=CC=C(Br)C=C1 314877 [1,1,0,0,0,0|1,0,0]=3 270 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 043034 [1,1,0,0,0,0|1,0,0]=3 271 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 094941 [1,1,0,0,0,0|0,0,0]=2 272 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 092183 [1,1,0,0,0,0|1,0,0]=3 273 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 032725 [1,1,0,0,0,0|1,0,0]=3 274 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 038714 [1,1,0,0,0,0|1,0,0]=3 275 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 023575 [1,1,0,0,0,0|1,0,0]=3 276 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 037384 [1,1,0,0,0,0|0,0,0]=2 277 B12R1.49 O=C(CBr)NC1=CC=C(Br)C=C1 368213 [1,1,0,0,0,0|2,0,0]=4 278 B12R1.49 O=C(CCl)NC1=CC=C(F)C=C1 004368 [1,1,0,0,0,0|2,0,0]=4 279 B12R1.106 CC1=CC=C(CS(=O)(=O)Cl)C=C1 020886 [1,1,0,0,0,0|2,0,0]=4 280 B12R1.106 CS(=O)(=O)CC1=CC=C(Br)C=C1 024347 [1,1,0,0,0,0|2,0,0]=4 281 B12R1.233 CC(=O)CC1=C(Cl)C=C(Cl)C=C1 400163 [1,1,0,0,0,0|1,0,0]=3 282 B12R1.233 CC(=O)NC1=C(F)C=C(Br)C=C1 004204 [1,1,0,0,0,0|2,0,0]=4 283 B12R1.233 CC(=O)NC1=C(F)C=C(F)C=C1 004774 [1,1,0,0,0,0|2,0,0]=4 284 B12R1.233 CC(=O)NC1=CC=C(C)C=C1C 099517 [1,1,0,0,0,0|1,0,0]=3 285 B12R1.233 CC(=O)NC1=CC=C(Cl)C=C1F 003156 [1,1,0,0,0,0|2,0,0]=4 286 B12R1.233 CC1=CC(C)=C(NC(N)=O)C=C1 018640 [1,1,0,0,0,0|2,0,0]=4 287 B12R1.233 NC(=O)CC1=C(Cl)C=C(Cl)C=C1 104920 [1,1,0,0,0,0|2,0,0]=4 288 B12R1.233 NC(=O)CC1=C(F)C=C(Br)C=C1 103251 [1,1,0,0,0,0|2,0,0]=4 289 B12R1.233 NC(=O)CC1=C(F)C=C(F)C=C1 102447 [1,1,0,0,0,0|2,0,0]=4 290 B12R1.233 O=C(Cl)CC1=C(F)C=C(Br)C=C1 103014 [1,1,0,0,0,0|2,0,0]=4 291 B12R1.233 O=C(Cl)CC1=C(F)C=C(F)C=C1 038314 [1,1,0,0,0,0|2,0,0]=4 292 B12R1.233 O=C(Cl)CC1=CC=C(Cl)C=C1Cl 014711 [1,1,0,0,0,0|2,0,0]=4 293 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 034918 [1,1,0,0,0,0|2,0,0]=4 294 B12R1.233 O=C(O)CC1=C(Cl)C=C(Cl)C=C1 001382 [1,1,0,0,0,0|2,0,0]=4 295 B12R1.233 O=C(O)CC1=C(F)C=C(Cl)C=C1 009422 [1,1,0,0,0,0|2,0,0]=4 296 B12R1.233 O=C(O)CC1=C(F)C=C(F)C=C1 001927 [1,1,0,0,0,0|2,0,0]=4 297 B12R1.233 O=C(O)CC1=CC=C(Br)C=C1F 033577 [1,1,0,0,0,0|2,0,0]=4 298 B12R1.5 CCC(=O)C1=CC=C(OC)C=C1 103391 [1,1,0,0,0,0|0,0,2]=4 299 B12R1.5 CCC(C)C1=CC=C(OC)C=C1 104314 [1,1,0,0,0,0|0,0,1]=3 300 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 037871 [1,1,0,0,0,0|1,0,1]=4 301 B12R1.71 CCCOC1=CC=C(OC)C=C1 095347 [1,1,0,0,0,0|0,0,1]=3 302 B12R1.71 CCNCC1=CC=C(OC)C=C1 029634 [1,1,0,0,0,0|0,0,1]=3 303 B12R1.71 COC1=CC=C(CCCO)C=C1 463295 [1,1,0,0,0,0|0,0,1]=3 304 B12R1.71 COC1=CC=C(CN=C=O)C=C1 367191 [1,1,0,0,0,0|0,0,1]=3 305 B12R1.71 COC1=CC=C(CN=C=S)C=C1 008998 [1,1,0,0,0,0|0,1,1]=4 306 B12R1.71 COC1=CC=C(OCC#N)C=C1 068149 [1,1,0,0,0,0|1,0,1]=4 307 B12R1.71 COC1=CC=C(OCCN)C=C1 017197 [1,1,0,0,0,0|1,0,1]=4 308 B12R1.71 COC1=CC=C(OCCN)C=C1 044959 [1,1,0,0,0,0|1,0,1]=4 309 B12R1.71 COC1=CC=C(SCCO)C=C1 019386 [1,1,0,0,0,0|0,0,2]=4 310 B12R1.71 COC1=CC=C(\C=C\C#N)C=C1 106456 [1,1,0,0,0,0|0,0,2]=4 311 B12R1.71 COC1=CC=C(\C=C\C=O)C=C1 103214 [1,1,0,0,0,0|0,0,1]=3 312 B12R1.116 CCOC1=CC=C(CC#N)C=C1 002561 [1,1,0,0,0,0|1,0,1]=4 313 B12R1.116 CCOC1=CC=C(CCN)C=C1 138602 [1,1,0,0,0,0|1,0,1]=4 314 B12R1.116 CCOC1=CC=C(OCC)C=C1 226546 [1,1,0,0,0,0|1,0,1]=4 315 B12R1.288 COC1=C(Br)C=C(CC#N)C=C1 018290 [1,1,0,0,0,0|1,0,1]=4 316 B12R1.288 COC1=C(Br)C=C(CCN)C=C1 050727 [1,1,0,0,0,0|1,0,1]=4 317 B12R1.288 COC1=C(Br)C=C(CCO)C=C1 104711 [1,1,0,0,0,0|0,0,2]=4 318 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 226271 [0,1,0,0,1,0|1,0,1]=4 319 B12R1.6 COC1=CC=C(S(=O)(=O)Cl)C=C1 067883 [0,1,0,0,1,0|2,0,0]=4 320 B12R1.6 COC1=CC=C(S(C)(=O)=O)C=C1 019363 [0,1,0,0,1,0|1,0,0]=3 321 B12R1.6 COC1=CC=C(S(N)(=O)=O)C=C1 217637 [0,1,0,0,1,0|2,0,0]=4 322 B12R1.48 CNC1=CC=C(C(=O)O)C=C1N 337907 [0,1,0,0,1,0|2,0,0]=4 323 B12R1.48 COC1=C(Br)C=C(C(C)=O)C=C1 015345 [0,1,0,0,1,0|0,0,0]=2 324 B12R1.48 COC1=C(Br)C=C(C(C)O)C=C1 104455 [0,1,0,0,1,0|0,0,2]=4 325 B12R1.48 COC1=C(Br)C=C([N+](=O)[O-])C=C1 001727 [0,1,0,0,1,0|2,0,0]=4 326 B12R1.48 COC1=C(Br)N=C(C(=O)O)C=C1 065952 [0,1,0,0,1,0|2,0,0]=4 327 B12R1.48 COC1=C(C)C=C(C(=O)O)C=C1 018789 [0,1,0,0,1,0|1,0,0]=3 328 B12R1.48 COC1=C(Cl)C=C(C(C)=O)C=C1 013883 [0,1,0,0,1,0|0,0,0]=2 329 B12R1.48 COC1=C(Cl)C=C([N+](=O)[O-])C=C1 018415 [0,1,0,0,1,0|2,0,0]=4 330 B12R1.48 COC1=C(F)C=C(C(=O)Cl)C=C1 013057 [0,1,0,0,1,0|1,0,0]=3 331 B12R1.48 COC1=C(F)C=C(C(=O)O)C=C1 005215 [0,1,0,0,1,0|1,0,0]=3 332 B12R1.48 COC1=C(F)C=C(C(C)=O)C=C1 006261 [0,1,0,0,1,0|0,0,0]=2 333 B12R1.48 COC1=C(F)C=C(C(C)N)C=C1 013353 [0,1,0,0,1,0|1,0,1]=4 334 B12R1.48 COC1=C(F)C=C([N+](=O)[O-])C=C1 006292 [0,1,0,0,1,0|2,0,0]=4 335 B12R1.48 COC1=C(I)C=C([N+](=O)[O-])C=C1 149000 [0,1,0,0,1,0|2,0,0]=4 336 B12R1.48 COC1=C(N)C=C(C(=O)O)C=C1 034280 [0,1,0,0,1,0|1,0,0]=3 337 B12R1.48 COC1=C(N)C=C([N+](=O)[O-])C=C1 037368 [0,1,0,0,1,0|2,0,0]=4 338 B12R1.48 COC1=CC=C(C(=O)O)C=C1Cl 018388 [0,1,0,0,1,0|1,0,0]=3 339 B12R1.48 COC1=CC=C(C(=O)O)C=C1I 015259 [0,1,0,0,1,0|1,0,0]=3 340 B12R1.48 COC1=CC=C(C(=O)O)C=C1O 079455 [0,1,0,0,1,0|1,0,0]=3 341 B12R1.48 COC1=CC=C(C(N)=O)C=C1F 342353 [0,1,0,0,1,0|1,0,0]=3 342 B12R1.48 COC1=CC=C([N+](=O)[O-])C=C1N 219388 [0,1,0,0,1,0|2,0,0]=4 343 B12R1.48 COC1=CC=C([N+](=O)[O-])C=C1O 079661 [0,1,0,0,1,0|2,0,0]=4 344 B12R1.256 CC(=O)C1=CC=C(B(O)O)C=C1 021606 [0,1,0,0,1,0|2,0,0]=4 345 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 021711 [0,1,0,0,1,0|2,0,0]=4 346 B12R1.256 CC(=O)C1=CC=C(C(C)=O)C=C1 240796 [0,1,0,0,1,0|1,0,0]=3 347 B12R1.256 CC(=O)C1=CC=C(C(C)C)C=C1 022395 [0,1,0,0,1,0|1,0,0]=3 348 B12R1.256 CC(=O)C1=CC=C([N+](=O)[O-])C=C1 225460 [0,1,0,0,1,0|2,0,0]=4 349 B12R1.256 CC(C)C1=CC=C(C(=O)O)C=C1 044335 [0,1,0,0,1,0|2,0,0]=4 350 B12R1.256 CN(C)C1=CC=C(C(=O)Cl)C=C1 066659 [0,1,0,0,1,0|2,0,0]=4 351 B12R1.256 CN(C)C1=CC=C(C(=O)O)C=C1 223719 [0,1,0,0,1,0|2,0,0]=4 352 B12R1.452 COC1=CC(Cl)=C(C(=O)O)C=C1 033210 [0,1,0,0,1,0|1,0,0]=3 353 B12R1.452 COC1=CC(F)=C(C(=O)O)C=C1 013326 [0,1,0,0,1,0|1,0,0]=3 354 B12R1.452 COC1=CC(F)=C(C(C)=O)C=C1 006260 [0,1,0,0,1,0|0,0,0]=2 355 B12R1.452 COC1=CC=C(C(=O)O)C(Br)=C1 038752 [0,1,0,0,1,0|1,0,0]=3 356 B12R1.452 COC1=CC=C(C(=O)O)C(N)=C1 040265 [0,1,0,0,1,0|1,0,0]=3 357 B12R1.452 COC1=CC=C(C(C)=O)C(O)=C1 209417 [0,1,0,0,1,0|0,0,0]=2 358 B12R1.452 COC1=CC=C([N+](=O)[O-])C(O)=C1 079557 [0,1,0,0,1,0|2,0,0]=4 359 B14R1.3 COC1=CC=C(CC(N)C(=O)O)C=C1 226420 [0,1,0,0,0,1|1,0,0]=3 360 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 M03187 [0,1,0,0,0,1|1,0,0]=3 361 B14R1.5 CNC(=O)COC1=CC=C(OC)C=C1 106085 [0,1,0,0,0,1|0,0,0]=2 362 B14R1.5 COC(=O)CCC1=CC=C(OC)C=C1 066786 [0,1,0,0,0,1|0,0,0]=2 363 B14R1.5 COC(=O)COC1=CC=C(C#N)C=C1 095751 [0,1,0,0,0,1|2,0,0]=4 364 B14R1.5 COC(=O)COC1=CC=C(OC)C=C1 373602 [0,1,0,0,0,1|0,0,0]=2 365 B14R1.5 COC(=O)CSC1=CC=C(OC)C=C1 095130 [0,1,0,0,0,1|0,0,0]=2 366 B14R1.5 COC(=O)\C=C\C1=CC=C(OC)C=C1 300312 [0,1,0,0,0,1|0,0,1]=3 367 B14R1.5 COC1=CC=C(CNC(=S)NN)C=C1 018782 [0,1,0,0,0,1|1,1,0]=4 368 B14R1.142 CCOC1=CC=C(\C=C\C(=O)O)C=C1 065801 [0,1,0,0,0,1|1,0,1]=4 369 B14R1.419 CC(=O)C1=CC=C(OCC(=O)O)C=C1 461060 [0,1,0,0,0,1|2,0,0]=4 370 B14R1.3653 COC1=CC=C(\C=C\C(=O)O)C=C1O 210229 [0,1,0,0,0,1|1,0,1]=4 371 B14R1.24 CCOC1=CC=C(NC(=O)CCl)C=C1 026031 [0,2,0,0,0,0|1,0,0]=3 372 B14R1.954 CCOC(=O)CC1=CC=C(OC)C=C1 241076 [0,2,0,0,0,0|0,0,0]=2 373 B14R1.2879 COC(=O)CC1=CC=C(B(O)O)C=C1 215108 [0,2,0,0,0,0|2,0,0]=4 374 B14R1.2879 COC(=O)CC1=CC=C([N+](=O)[O-])C=C1 234109 [0,2,0,0,0,0|2,0,0]=4 375 B14R1.3276 COC(=O)CC1=CC(Br)=C(OC)C=C1 099447 [0,2,0,0,0,0|0,0,0]=2 376 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 049630 [0,2,0,0,0,0|1,0,0]=3 377 B14R1.3651 COC1=CC=C(CC(C)=O)C=C1OC 243018 [0,2,0,0,0,0|0,0,0]=2 378 B14R1.8 CCC(C(=O)O)C1=CC=C(OC)C=C1 103327 [0,2,0,0,0,0|1,0,0]=3 379 B14R1.717 COC(=O)C1=CC=C(CC(=O)O)C=C1 210231 [0,2,0,0,0,0|1,0,0]=3 380 B14R1.717 COC(=O)C1=CC=C(OC(C)=O)C=C1 329987 [0,2,0,0,0,0|1,0,0]=3 381 B14R1.805 CC(=O)NC1=CC=C(OC(C)C)C=C1 043447 [0,2,0,0,0,0|1,0,0]=3 382 B14R1.805 CC(=O)OC1=CC=C(OC(C)=O)C=C1 341925 [0,2,0,0,0,0|1,0,0]=3 383 B14R1.124 CC(=O)NC1=C(Br)C=C(C(C)=O)C=C1 103317 [0,2,0,0,0,0|2,0,0]=4 384 B14R1.806 CC(=O)NC1=CC=C(C(C)(C)C)C=C1 024546 [0,2,0,0,0,0|2,0,0]=4 385 B14R1.806 CC(C)(C)C1=CC=C(CC(=O)O)C=C1 048948 [0,2,0,0,0,0|2,0,0]=4 386 B14R1.806 CS(=O)(=O)C1=CC=C(CC(=O)O)C=C1 023369 [0,2,0,0,0,0|1,1,0]=4 387 B14R1.101 COC1=CC(OC)=C(CC(=O)O)C=C1 049631 [0,2,0,0,0,0|1,0,0]=3 388 B14R1.560 COC1=CC(F)=C(CC(=O)O)C(F)=C1 076745 [0,2,0,0,0,0|1,0,0]=3 389 B12R2.606 CC1=CC2=C(C=C1)OC(=O)N2 094105 [1,0,0,1,0,0|2,0,0]=4 390 B12R2.606 CC1=CC=C2NC(C)=CC2=C1 023432 [1,0,0,1,0,0|2,0,0]=4 391 B12R2.606 CC1=CC=C2[Se]C(C)=NC2=C1 101840 [1,0,0,1,0,0|2,0,0]=4 392 B12R2.606 CC1=NC2=C(C=CC(O)=C2)S1 311950 [1,0,0,1,0,0|2,0,0]=4 393 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 076758 [1,0,0,1,0,0|2,0,0]=4 394 B12R2.606 O=C1CC2=C(C=C(O)C=C2)N1 209032 [1,0,0,1,0,0|1,0,0]=3 395 B12R2.606 O=C1CC2=CC(Cl)=CC=C2N1 024250 [1,0,0,1,0,0|2,0,0]=4 396 B12R2.44 COC1=CC2=C(C=C1)NC=C2 024491 [1,0,0,1,0,0|1,0,1]=4 397 B12R2.44 COC1=CC2=C(C=CN2)C=C1 013620 [1,0,0,1,0,0|1,0,1]=4 398 B14R2.328 COC1=CC=C(CNC2CC2)C=C1 042419 [0,0,0,1,0,1|1,0,1]=4 399 B14R2.2332 COC1=CC=C2N=C(C)C=CC2=C1 002592 [0,1,0,1,0,0|2,0,0]=4 400 B14R2.2332 COC1=CC=C2NC(=O)CCC2=C1 040329 [0,1,0,1,0,0|1,0,0]=3 401 B14R2.3274 COC1=CC=C2NC(=O)C(=O)C2=C1 043595 [0,1,0,1,0,0|1,0,1]=4 402 B14R2.1008 O=C(O)CC1=CC=C2OCCC2=C1 023401 [0,1,0,1,0,0|1,0,0]=3 403 B14R2.1008 O=C(O)CC1=CC=C2OCOC2=C1 018839 [0,1,0,1,0,0|1,0,0]=3 404 B14R2.1815 COC1=CC2=C(C=C1)C(=O)C(=O)N2 038240 [0,1,0,1,0,0|1,0,1]=4 405 B10R1.13 C=C(C)C1=CC=C(F)C=C1 002236 [1,0,0,0,1,0|2,0,0]=4 406 B10R1.13 C=C(C)C1=CC=C(O)C=C1 242991 [1,0,0,0,1,0|1,0,0]=3 407 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 002964 [1,0,0,0,1,0|1,0,0]=3 408 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 068433 [1,0,0,0,1,0|2,0,0]=4 409 B10R1.13 CC(=O)C1=CC=C(C)C=C1 075950 [1,0,0,0,1,0|0,0,0]=2 410 B10R1.13 CC(=O)C1=CC=C(C)N=C1 024495 [1,0,0,0,1,0|1,0,0]=3 411 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 003111 [1,0,0,0,1,0|1,0,0]=3 412 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 046158 [1,0,0,0,1,0|2,0,0]=4 413 B10R1.13 CC(=O)C1=CC=C(F)C=C1 001621 [1,0,0,0,1,0|1,0,0]=3 414 B10R1.13 CC(=O)C1=CC=C(I)C=C1 003065 [1,0,0,0,1,0|1,0,0]=3 415 B10R1.13 CC(=O)C1=CC=C(I)C=C1 147401 [1,0,0,0,1,0|1,0,0]=3 416 B10R1.13 CC(=O)C1=CC=C(N)C=C1 009865 [1,0,0,0,1,0|1,0,0]=3 417 B10R1.13 CC(=O)C1=CC=C(O)C=C1 097596 [1,0,0,0,1,0|0,0,0]=2 418 B10R1.13 CC(=O)C1=NC=C(O)C=C1 242217 [1,0,0,0,1,0|1,0,0]=3 419 B10R1.13 CC(C)C1=CC=C(O)C=C1 224632 [1,0,0,0,1,0|1,0,1]=4 420 B10R1.13 CC1=CC=C(C(=N)N)C=C1 017242 [1,0,0,0,1,0|2,0,0]=4 421 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 099143 [1,0,0,0,1,0|1,0,0]=3 422 B10R1.13 CC1=CC=C(C(=O)O)C=C1 094627 [1,0,0,0,1,0|1,0,0]=3 423 B10R1.13 CC1=CC=C(C(=O)O)C=N1 043432 [1,0,0,0,1,0|2,0,0]=4 424 B10R1.13 CC1=CC=C(C(C)C)C=C1 048590 [1,0,0,0,1,0|1,0,1]=4 425 B10R1.13 CC1=CC=C(C(C)N)C=C1 075281 [1,0,0,0,1,0|1,0,1]=4 426 B10R1.13 CC1=CC=C(C(C)O)C=C1 494146 [1,0,0,0,1,0|0,0,2]=4 427 B10R1.13 CC1=CC=C(C(N)=O)C=C1 032746 [1,0,0,0,1,0|1,0,0]=3 428 B10R1.13 CC1=CC=C(C(N)=S)C=C1 021339 [1,0,0,0,1,0|1,1,0]=4 429 B10R1.13 CC1=CC=C(N(C)C)C=C1 013933 [1,0,0,0,1,0|2,0,0]=4 430 B10R1.13 CC1=CC=C(S(=O)O)C=C1 080223 [1,0,0,0,1,0|2,0,0]=4 431 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 227797 [1,0,0,0,1,0|2,0,0]=4 432 B10R1.13 CC1=CC=C([N+](=O)[O-])C=C1 241128 [1,0,0,0,1,0|2,0,0]=4 433 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 050080 [1,0,0,0,1,0|2,0,0]=4 434 B10R1.13 CN(C)C1=CC=C(O)C=C1 223309 [1,0,0,0,1,0|2,0,0]=4 435 B10R1.13 N=C(N)C1=CC=C(O)C=C1 023564 [1,0,0,0,1,0|2,0,0]=4 436 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 044652 [1,0,0,0,1,0|2,0,0]=4 437 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 240110 [1,0,0,0,1,0|2,0,0]=4 438 B10R1.13 NC(=O)C1=CC=C(F)C=C1 006181 [1,0,0,0,1,0|2,0,0]=4 439 B10R1.13 NC(=O)C1=CC=C(I)C=C1 235780 [1,0,0,0,1,0|2,0,0]=4 440 B10R1.13 NC(=O)C1=CC=C(N)C=C1 018168 [1,0,0,0,1,0|2,0,0]=4 441 B10R1.13 NC(=O)C1=CC=C(O)C=C1 002826 [1,0,0,0,1,0|1,0,0]=3 442 B10R1.13 NC(=S)C1=CC=C(O)C=C1 021328 [1,0,0,0,1,0|1,1,0]=4 443 B10R1.13 NC(=S)C1=CC=C(O)C=C1 097900 [1,0,0,0,1,0|1,1,0]=4 444 B10R1.13 NC1=CC=C(C(=O)O)C=C1 046699 [1,0,0,0,1,0|2,0,0]=4 445 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 013058 [1,0,0,0,1,0|2,0,0]=4 446 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 094475 [1,0,0,0,1,0|2,0,0]=4 447 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 001636 [1,0,0,0,1,0|2,0,0]=4 448 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 467163 [1,0,0,0,1,0|2,0,0]=4 449 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 109801 [1,0,0,0,1,0|2,0,0]=4 450 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 079616 [1,0,0,0,1,0|2,0,0]=4 451 B10R1.13 O=C(O)C1=CC=C(F)C=C1 001711 [1,0,0,0,1,0|2,0,0]=4 452 B10R1.13 O=C(O)C1=CC=C(I)C=C1 005464 [1,0,0,0,1,0|2,0,0]=4 453 B10R1.13 O=C(O)C1=CC=C(O)C=C1 094430 [1,0,0,0,1,0|1,0,0]=3 454 B10R1.13 O=C(O)C1=CC=C(O)N=C1 009265 [1,0,0,0,1,0|2,0,0]=4 455 B10R1.13 O=C(O)C1=CC=C(S)C=C1 013962 [1,0,0,0,1,0|1,1,0]=4 456 B10R1.13 O=C(O)C1=NC=C(O)C=C1 066001 [1,0,0,0,1,0|2,0,0]=4 457 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 012755 [1,0,0,0,1,0|2,0,0]=4 458 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 097791 [1,0,0,0,1,0|2,0,0]=4 459 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 003627 [1,0,0,0,0,1|0,0,0]=2 460 B12R1.21 CC(=O)CSC1=CC=C(C)C=C1 003767 [1,0,0,0,0,1|0,0,0]=2 461 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 023249 [1,0,0,0,0,1|1,0,0]=3 462 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 006345 [1,0,0,0,0,1|1,0,0]=3 463 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 018857 [1,0,0,0,0,1|1,0,0]=3 464 B12R1.21 CC1=CC=C(CNC(N)=S)C=C1 018822 [1,0,0,0,0,1|1,1,0]=4 465 B12R1.21 CC1=CC=C(OCC(N)=O)C=C1 106072 [1,0,0,0,0,1|1,0,0]=3 466 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 042198 [1,0,0,0,0,1|1,0,0]=3 467 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 046849 [1,0,0,0,0,1|1,0,1]=4 468 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 008895 [1,0,0,0,0,1|2,0,0]=4 469 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 239138 [1,0,0,0,0,1|2,0,0]=4 470 B12R1.21 NC(=O)CCC1=CC=C(Br)C=C1 103202 [1,0,0,0,0,1|2,0,0]=4 471 B12R1.21 NC(=O)COC1=CC=C(Cl)C=C1 106325 [1,0,0,0,0,1|2,0,0]=4 472 B12R1.21 NC(=O)COC1=CC=C(F)C=C1 106307 [1,0,0,0,0,1|2,0,0]=4 473 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 002500 [1,0,0,0,0,1|2,0,0]=4 474 B12R1.21 O=C(Cl)CCC1=CC=C(Br)C=C1 477557 [1,0,0,0,0,1|2,0,0]=4 475 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 018312 [1,0,0,0,0,1|2,0,0]=4 476 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 121300 [1,0,0,0,0,1|2,0,0]=4 477 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 006340 [1,0,0,0,0,1|2,0,0]=4 478 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 033922 [1,0,0,0,0,1|2,0,0]=4 479 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 078730 [1,0,0,0,0,1|1,0,0]=3 480 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 216660 [1,0,0,0,0,1|2,0,0]=4 481 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 006318 [1,0,0,0,0,1|2,0,0]=4 482 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 358423 [1,0,0,0,0,1|1,0,0]=3 483 B12R1.21 O=C(O)CSC1=CC=C(Br)C=C1 033382 [1,0,0,0,0,1|2,0,0]=4 484 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 006343 [1,0,0,0,0,1|2,0,0]=4 485 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 076727 [1,0,0,0,0,1|1,0,1]=4 486 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 195783 [1,0,0,0,0,1|1,0,1]=4 487 B12R1.438 COC1=CC(NC(N)=O)=CC=C1 092009 [0,0,0,0,1,1|2,0,0]=4 488 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 018795 [0,0,0,0,1,1|1,0,0]=3 489 B12R1.438 CSC1=CC=CC(OC(C)=O)=C1 103242 [0,0,0,0,1,1|1,1,0]=4 490 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 024299 [0,0,0,0,0,2|1,0,0]=3