0 B11R1.83 C#CC1=CC=C(CCC)C=C1 OR21957 [0,0,0,0,0,0|1,0,3]=4 1 B11R1.83 CCC1=CC=C(CCBr)N=C1 OR70230 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.83 CCC1=CC=C(CCCl)N=C1 OR70229 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.83 CCC1=CN=C(CCO)C=C1 OR9038 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.83 CCCC1=CC=C(NN)C=C1 OR0204 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.83 CNCC1=CC=C(OC)C=C1 OR13981 [0,0,0,0,0,0|1,0,1]=2 6 B11R1.83 CNCC1=CC=C(OC)C=C1 OR1574 [0,0,0,0,0,0|1,0,1]=2 7 B11R1.83 COC1=CC=C(CC#N)C=C1 OR10900 [0,0,0,0,0,0|1,0,1]=2 8 B11R1.83 COC1=CC=C(CCO)C=C1 OR30550 [0,0,0,0,0,0|1,0,1]=2 9 B11R1.83 COC1=CC=C(CNN)C=C1 OR55375 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.83 COC1=CC=C(CNN)C=C1 OR55590 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.83 COC1=CC=C(CON)C=C1 OR52352 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.83 COC1=CC=C(N=C=S)C=C1 OR30146 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.83 N#CC1=CC=C(CCBr)C=C1 OR45144 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.83 N#CC1=CC=C(CCO)C=C1 OR30086 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.83 N#CC1=CN=C(CC=O)C=C1 OR52686 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.1 C=CCC1=CC=C(Br)C=C1 OR01868 [1,0,0,0,0,0|1,0,0]=2 17 B10R1.1 C=CCC1=CC=C(C)C=C1 OR01922 [1,0,0,0,0,0|0,0,0]=1 18 B10R1.1 C=CCC1=CC=C(Cl)C=C1 OR01894 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.1 CC1=CC=C(CC#N)C=N1 OR46596 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.1 CC1=CC=C(N=C=S)C=C1 OR30196 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.1 CC1=CC=C(SCCl)C=C1 OR322514 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.1 CCCC1=CC=C(Br)C=C1 OR13034 [1,0,0,0,0,0|1,0,2]=4 23 B10R1.1 CNCC1=CC=C(C)C=C1 OR16470 [1,0,0,0,0,0|1,0,1]=3 24 B10R1.1 CNCC1=CC=C(Cl)C=C1 OR16428 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.1 CNCC1=CC=C(N)C=C1 OR7674 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.1 N#CCC1=CC=C(Br)C=C1 OR017366 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.1 N#CCC1=CC=C(Cl)C=C1 OR5364 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.1 N#CCC1=CC=C(I)C=C1 OR6785 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.1 N#CCC1=CC=C(N)C=C1 OR21111 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.1 N#CCC1=CC=C(O)C=C1 OR28641 [1,0,0,0,0,0|1,0,1]=3 31 B10R1.1 NC1=CC=C(CCO)C=C1 OR0014 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.1 NCCC1=CC=C(N)C=C1 OR40587 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.1 NOCC1=CC=C(Cl)C=C1 OR6060 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.1 O=CCC1=CC=C(O)C=C1 OR5985 [1,0,0,0,0,0|1,0,0]=2 35 B10R1.1 O=CNC1=CC=C(Cl)C=C1 OR2335 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.1 OC1=CC=C(CCBr)C=C1 OR45134 [1,0,0,0,0,0|1,0,1]=3 37 B10R1.1 OCCC1=CC=C(Br)C=C1 OR30084 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.1 OCCC1=CC=C(Cl)C=C1 OR24970 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.1 OCCC1=CC=C(O)C=C1 OR2934 [1,0,0,0,0,0|1,0,1]=3 40 B10R1.3 BrCC1=CC=C(CBr)C=C1 OR0107 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.3 C#CC1=CC=C(C=O)C=C1 OR01516 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.3 C#CC1=CC=C(CC)C=C1 OR2201 [1,0,0,0,0,0|1,0,2]=4 43 B10R1.3 C#CC1=CC=C(OC)C=C1 OR21951 [1,0,0,0,0,0|0,0,2]=3 44 B10R1.3 C=CC1=CC=C(C#N)C=C1 OR18865 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.3 C=CC1=CC=C(CBr)C=C1 OR52289 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.3 C=CC1=CC=C(CCl)C=C1 OR51822 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.3 C=CC1=CC=C(OC)C=C1 OR42010 [1,0,0,0,0,0|0,0,0]=1 48 B10R1.3 C=CC1=CC=C(OC)C=N1 OR18868 [1,0,0,0,0,0|1,0,0]=2 49 B10R1.3 C=CC1=CC=C(OC)N=C1 OR18869 [1,0,0,0,0,0|1,0,0]=2 50 B10R1.3 CCC1=CC=C(C=O)C=C1 OR2187 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.3 CCC1=CC=C(CN)C=C1 OR52606 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.3 CCC1=CC=C(NN)C=C1 OR9704 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.3 CNC1=CC=C(C#N)C=C1 OR16971 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.3 CNC1=NC=C(C=O)C=C1 OR303656 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.3 COC1=CC=C(C#N)C=C1 OR23419 [1,0,0,0,0,0|1,0,1]=3 56 B10R1.3 COC1=CC=C(C#N)C=N1 OR2738 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.3 COC1=CC=C(C=O)C=C1 OR52390 [1,0,0,0,0,0|1,0,0]=2 58 B10R1.3 COC1=CC=C(CBr)C=C1 OR16607 [1,0,0,0,0,0|1,0,0]=2 59 B10R1.3 COC1=CC=C(CCl)C=C1 OR25768 [1,0,0,0,0,0|1,0,0]=2 60 B10R1.3 COC1=CC=C(CN)C=C1 OR5028 [1,0,0,0,0,0|1,0,0]=2 61 B10R1.3 COC1=CC=C(CO)C=C1 OR18325 [1,0,0,0,0,0|1,0,0]=2 62 B10R1.3 COC1=CC=C(NN)C=C1 OR2845 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.3 COC1=CC=C(OC)C=C1 OR4908 [1,0,0,0,0,0|1,0,1]=3 64 B10R1.3 COC1=CN=C(C#N)C=C1 OR8848 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.3 COC1=CN=C(C=O)C=C1 OR313046 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.3 COC1=CN=C(C=O)N=C1 OR54436 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.3 COC1=CN=C(CN)C=C1 OR306425 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.3 COC1=NC=C(C=O)C=C1 OR3477 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.3 COC1=NC=C(C=O)C=N1 OR2778 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.3 COC1=NC=C(CN)C=C1 OR52039 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.3 CSC1=CC=C(C=O)C=C1 OR0776 [1,0,0,0,0,0|1,1,0]=3 72 B10R1.3 CSC1=CC=C(NN)C=C1 OR7922 [1,0,0,0,0,0|2,1,0]=4 73 B10R1.3 ClCC1=CC=C(CCl)C=C1 OR9311 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.3 N#CC1=CC=C(C=O)C=C1 OR4974 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.3 N#CC1=CC=C(CBr)C=C1 OR5037 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.3 N#CC1=CC=C(CN)C=C1 OR20018 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.3 N#CC1=CC=C(CN)C=C1 OR8902 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.3 NCC1=CC=C(CCl)C=C1 OR6191 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.3 NCC1=CC=C(CN)C=C1 OR921104 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.3 NCC1=CC=C(CO)C=C1 OR6193 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.3 NNC1=CC=C(CO)C=C1 OR3389 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.3 O=CC1=CC=C(C=O)C=C1 OR18330 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.3 O=CC1=CC=C(CBr)C=C1 OR9193 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.3 O=CC1=CC=C(CCl)C=C1 OR322751 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.3 O=CC1=CC=C(CO)C=C1 OR18563 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.3 OCC1=CC=C(CBr)C=C1 OR52377 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.3 OCC1=CC=C(CO)C=C1 OR350022 [1,0,0,0,0,0|3,0,0]=4 88 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 OR10950 [0,1,0,0,0,0|1,0,0]=2 89 B12R1.4 COC1=CC=C(NC(N)=S)C=C1 OR5150 [0,1,0,0,0,0|2,0,0]=3 90 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 OR0901 [0,1,0,0,0,0|3,0,0]=4 91 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 OR5112 [0,1,0,0,0,0|3,0,0]=4 92 B12R1.5 CCC(=O)C1=CC=C(OC)C=C1 OR8854 [0,1,0,0,0,0|0,0,3]=4 93 B12R1.5 CN[C@@H](C)C1=CC=C(OC)C=C1 OR30799 [0,1,0,0,0,0|1,0,1]=3 94 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 OR1600 [0,1,0,0,0,0|1,0,1]=3 95 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 OR23418 [0,1,0,0,0,0|1,0,2]=4 96 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 OR2789 [0,1,0,0,0,0|1,0,2]=4 97 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 OR21119 [0,1,0,0,0,0|2,0,1]=4 98 B12R1.5 COC1=CC=C(C(O)CN)C=C1 OR12810 [0,1,0,0,0,0|1,0,1]=3 99 B12R1.5 COC1=CC=C(\C(Cl)=N\O)C=C1 OR14213 [0,1,0,0,0,0|2,0,1]=4 100 B12R1.71 COC1=CC=C(CCCO)C=C1 OR52471 [0,1,0,0,0,0|0,0,2]=3 101 B12R1.71 COC1=CC=C(CN=C=O)C=C1 OR2873 [0,1,0,0,0,0|1,0,1]=3 102 B12R1.71 COC1=CC=C(OCCN)C=C1 OR27359 [0,1,0,0,0,0|1,0,1]=3 103 B12R1.71 COC1=CC=C(OCCO)C=C1 OR14833 [0,1,0,0,0,0|1,0,1]=3 104 B12R1.113 CCCC1=CC=C(C(C)=O)C=C1 OR1514 [0,1,0,0,0,0|1,0,2]=4 105 B12R1.113 CNCC1=CC=C(N(C)C)C=C1 OR6189 [0,1,0,0,0,0|2,0,1]=4 106 B12R1.114 COC1=CC(C)=C(CC#N)C=C1 OR54502 [0,1,0,0,0,0|1,0,1]=3 107 B12R1.116 CCOC1=CC=C(N=C=S)C=C1 OR5832 [0,1,0,0,0,0|2,0,1]=4 108 B12R1.116 CCOC1=CC=C(OCC)C=C1 OR18328 [0,1,0,0,0,0|1,0,2]=4 109 B12R1.288 COC1=C(Br)C=C(CC#N)C=C1 OR3047 [0,1,0,0,0,0|1,0,1]=3 110 B12R2.9 COC1=CC=C(C2CC2)C=C1 OR307193 [0,0,0,1,0,0|0,0,2]=3 111 B12R2.44 COC1=CC2=C(C=C1)NC=C2 OR10184 [0,0,0,1,0,0|1,0,0]=2 112 B12R2.44 COC1=CC2=C(C=CN2)C=C1 OR0581 [0,0,0,1,0,0|1,0,1]=3 113 B12R2.44 COC1=CC2=C(C=N1)NN=C2 OR13670 [0,0,0,1,0,0|3,0,0]=4 114 B12R2.44 COC1=CC2=NON=C2C=C1 OR6148 [0,0,0,1,0,0|3,0,0]=4 115 B12R2.44 COC1=CC=C2NC=CC2=N1 OR301131 [0,0,0,1,0,0|2,0,0]=3 116 B12R2.44 COC1=CC=C2NC=NC2=C1 OR11201 [0,0,0,1,0,0|2,0,0]=3 117 B12R2.44 COC1=CC=C2OC=CC2=C1 OR46210 [0,0,0,1,0,0|1,0,0]=2 118 B12R2.44 COC1=CC=C2SC=NC2=C1 OR55451 [0,0,0,1,0,0|2,0,0]=3 119 B12R2.44 N#CC1=CC2=C(C=C1)NC=C2 OR10181 [0,0,0,1,0,0|3,0,0]=4 120 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 OR12314 [0,0,0,1,0,0|3,0,0]=4 121 B12R2.44 NCC1=CC2=C(C=C1)SC=C2 OR12316 [0,0,0,1,0,0|3,0,0]=4 122 B12R2.44 O=CC1=CC2=C(C=C1)SC=C2 OR101286 [0,0,0,1,0,0|3,0,0]=4 123 B12R2.44 O=CC1=CC=C2NC=CC2=C1 OR10488 [0,0,0,1,0,0|3,0,0]=4 124 B12R2.44 O=CC1=CC=C2OC=CC2=C1 OR10877 [0,0,0,1,0,0|3,0,0]=4 125 B12R2.44 OCC1=CC=C2NC=CC2=C1 OR10507 [0,0,0,1,0,0|3,0,0]=4 126 B9R1.1 BrCC1=CC=C(Br)C=C1 OR13169 [2,0,0,0,0,0|2,0,0]=4 127 B9R1.1 BrCC1=CC=C(I)C=C1 OR8750 [2,0,0,0,0,0|2,0,0]=4 128 B9R1.1 C#CC1=CC=C(C)C=C1 OR0642 [2,0,0,0,0,0|0,0,2]=4 129 B9R1.1 C#CC1=CC=C(O)C=C1 OR55626 [2,0,0,0,0,0|0,0,2]=4 130 B9R1.1 C=CC1=CC=C(Br)C=C1 OR7587 [2,0,0,0,0,0|1,0,0]=3 131 B9R1.1 C=CC1=CC=C(Cl)C=C1 OR2398 [2,0,0,0,0,0|1,0,0]=3 132 B9R1.1 C=CC1=CC=C(I)C=C1 OR46241 [2,0,0,0,0,0|1,0,0]=3 133 B9R1.1 C=CC1=CC=C(N)C=C1 OR30448 [2,0,0,0,0,0|1,0,0]=3 134 B9R1.1 CC1=CC=C(C#N)C=C1 OR1709 [2,0,0,0,0,0|1,0,1]=4 135 B9R1.1 CC1=CC=C(C=O)C=C1 OR61250 [2,0,0,0,0,0|1,0,0]=3 136 B9R1.1 CC1=CC=C(C=O)C=N1 OR46109 [2,0,0,0,0,0|2,0,0]=4 137 B9R1.1 CC1=CC=C(CBr)C=C1 OR40462 [2,0,0,0,0,0|1,0,0]=3 138 B9R1.1 CC1=CC=C(CCl)C=C1 OR18311 [2,0,0,0,0,0|1,0,0]=3 139 B9R1.1 CC1=CC=C(CCl)N=C1 OR310896 [2,0,0,0,0,0|2,0,0]=4 140 B9R1.1 CC1=CC=C(CN)C=C1 OR10024 [2,0,0,0,0,0|1,0,0]=3 141 B9R1.1 CC1=CC=C(CO)C=N1 OR14843 [2,0,0,0,0,0|2,0,0]=4 142 B9R1.1 CC1=CC=C(CS)C=C1 OR30170 [2,0,0,0,0,0|1,0,0]=3 143 B9R1.1 CC1=CC=C(NN)C=C1 OR7543 [2,0,0,0,0,0|2,0,0]=4 144 B9R1.1 CC1=CN=C(CN)C=C1 OR306469 [2,0,0,0,0,0|2,0,0]=4 145 B9R1.1 CCC1=CC=C(Br)C=C1 OR13057 [2,0,0,0,0,0|1,0,1]=4 146 B9R1.1 CCC1=CC=C(I)C=C1 OR4537 [2,0,0,0,0,0|1,0,1]=4 147 B9R1.1 CCC1=CC=C(S)C=C1 OR11377 [2,0,0,0,0,0|0,1,1]=4 148 B9R1.1 CCC1=CN=C(C)C=C1 OR3152 [2,0,0,0,0,0|1,0,1]=4 149 B9R1.1 COC1=CC=C(Br)C=C1 OR4283 [2,0,0,0,0,0|1,0,0]=3 150 B9R1.1 COC1=CC=C(Cl)C=C1 OR4349 [2,0,0,0,0,0|1,0,0]=3 151 B9R1.1 COC1=CC=C(I)C=C1 OR4677 [2,0,0,0,0,0|1,0,0]=3 152 B9R1.1 COC1=CC=C(N)N=C1 OR40515 [2,0,0,0,0,0|2,0,0]=4 153 B9R1.1 COC1=CC=C(O)C=C1 OR10915 [2,0,0,0,0,0|1,0,0]=3 154 B9R1.1 COC1=CC=C(S)C=C1 OR0774 [2,0,0,0,0,0|1,0,0]=3 155 B9R1.1 COC1=CC=[N+]([O-])C=C1 OR300626 [2,0,0,0,0,0|2,0,0]=4 156 B9R1.1 COC1=CN=C(Br)C=C1 OR3574 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.1 COC1=NC=C(Br)C=C1 OR1212 [2,0,0,0,0,0|2,0,0]=4 158 B9R1.1 COC1=NC=C(Cl)C=C1 OR3476 [2,0,0,0,0,0|2,0,0]=4 159 B9R1.1 COC1=NC=C(N)C=C1 OR4654 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.1 COC1=NC=C(O)C=C1 OR3808 [2,0,0,0,0,0|2,0,0]=4 161 B9R1.1 CSC1=CC=C(Br)C=C1 OR10389 [2,0,0,0,0,0|1,1,0]=4 162 B9R1.1 CSC1=CC=C(Cl)C=C1 OR3459 [2,0,0,0,0,0|1,1,0]=4 163 B9R1.1 CSC1=CC=C(N)C=C1 OR0773 [2,0,0,0,0,0|1,1,0]=4 164 B9R1.1 CSC1=CC=C(O)C=C1 OR0778 [2,0,0,0,0,0|1,0,1]=4 165 B9R1.1 CSC1=CC=C(S)C=C1 OR11379 [2,0,0,0,0,0|1,1,0]=4 166 B9R1.1 ClC1=CC=C(CBr)C=C1 OR8476 [2,0,0,0,0,0|2,0,0]=4 167 B9R1.1 ClCC1=CC=C(Br)C=C1 OR9776 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.1 ClCC1=CC=C(Cl)C=C1 OR3764 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.1 N#CC1=CC=C(O)C=C1 OR10907 [2,0,0,0,0,0|1,0,1]=4 170 B9R1.1 NC1=CC=C(CO)C=C1 OR9011 [2,0,0,0,0,0|2,0,0]=4 171 B9R1.1 NCC1=CC=C(Br)C=C1 OR49010 [2,0,0,0,0,0|2,0,0]=4 172 B9R1.1 NCC1=CC=C(Br)C=C1 OR8654 [2,0,0,0,0,0|2,0,0]=4 173 B9R1.1 NCC1=CC=C(Cl)C=C1 OR10085 [2,0,0,0,0,0|2,0,0]=4 174 B9R1.1 NCC1=CC=C(I)C=C1 OR6197 [2,0,0,0,0,0|2,0,0]=4 175 B9R1.1 NCC1=CC=C(I)C=C1 OR9371 [2,0,0,0,0,0|2,0,0]=4 176 B9R1.1 NCC1=CC=C(N)C=C1 OR12000 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.1 NCC1=CC=C(O)C=C1 OR0853 [2,0,0,0,0,0|1,0,0]=3 178 B9R1.1 NCC1=CC=C(O)C=C1 OR7611 [2,0,0,0,0,0|1,0,0]=3 179 B9R1.1 NCC1=NC=C(O)C=C1 OR51778 [2,0,0,0,0,0|2,0,0]=4 180 B9R1.1 O=CC1=CC=C(Br)C=C1 OR4979 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.1 O=CC1=CC=C(Cl)C=C1 OR12011 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.1 O=CC1=CC=C(I)C=C1 OR61519 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.1 O=CC1=CC=C(O)C=C1 OR13187 [2,0,0,0,0,0|1,0,0]=3 184 B9R1.1 O=CC1=CC=C(O)C=N1 OR51764 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.1 O=CC1=CC=C(O)N=C1 OR4910 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.1 OCC1=CC=C(Br)C=C1 OR5021 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.1 OCC1=CC=C(Cl)C=C1 OR5022 [2,0,0,0,0,0|2,0,0]=4 188 B9R1.1 OCC1=CC=C(I)C=C1 OR60044 [2,0,0,0,0,0|2,0,0]=4 189 B9R1.1 OCC1=CC=C(O)C=C1 OR1172 [2,0,0,0,0,0|1,0,0]=3 190 B9R1.1 SCC1=CC=C(Br)C=C1 OR51963 [2,0,0,0,0,0|2,0,0]=4 191 B9R1.8 BrCCC1=CC=CC=C1 OR46084 [2,0,0,0,0,0|1,0,1]=4 192 B9R1.8 Br[Mg]CC1=CC=CC=C1 OR320066 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.8 Br[Mg]CC1=CC=CC=C1 OR320067 [2,0,0,0,0,0|2,0,0]=4 194 B9R1.8 CNCC1=CC=CC=C1 OR12500 [2,0,0,0,0,0|1,0,1]=4 195 B9R1.8 Cl[Mg]CC1=CC=CC=C1 OR320070 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.8 N#CCC1=CC=CC=C1 OR5457 [2,0,0,0,0,0|1,0,1]=4 197 B9R1.8 NNCC1=CC=CC=C1 OR5636 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.8 NOCC1=CC=CC=C1 OR15742 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.8 NOCC1=CC=CC=C1 OR30224 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.8 ONCC1=CC=CC=C1 OR51891 [2,0,0,0,0,0|2,0,0]=4 201 B11R1.1 C=CCCC1=CC=C(Br)C=C1 OR01869 [1,1,0,0,0,0|1,0,0]=3 202 B11R1.1 C=CCCC1=CC=C(C)C=C1 OR01923 [1,1,0,0,0,0|0,0,0]=2 203 B11R1.1 C=CCCC1=CC=C(Cl)C=C1 OR01895 [1,1,0,0,0,0|1,0,0]=3 204 B11R1.1 CC1=CC=C(OCC#N)C=C1 OR470168 [1,1,0,0,0,0|1,0,1]=4 205 B11R1.1 CCCCC1=CC=C(O)C=C1 OR22100 [1,1,0,0,0,0|0,0,2]=4 206 B11R1.1 N#CCCC1=CC=C(O)C=C1 OR28168 [1,1,0,0,0,0|0,0,2]=4 207 B11R1.20 C=C(Br)CC1=CC=C(Cl)C=C1 OR01898 [1,1,0,0,0,0|1,0,0]=3 208 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 OR3962 [1,1,0,0,0,0|1,0,1]=4 209 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 OR4365 [1,1,0,0,0,0|1,0,0]=3 210 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 OR3301 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.20 CC1=CC=C(OC(=O)Cl)C=C1 OR1994 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.20 N=C(N)CC1=CC=C(Cl)C=C1 OR346285 [1,1,0,0,0,0|2,0,0]=4 213 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 OR28890 [1,1,0,0,0,0|1,0,0]=3 214 B11R1.20 NC(=S)CC1=CC=C(Cl)C=C1 OR24099 [1,1,0,0,0,0|2,0,0]=4 215 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 OR10955 [1,1,0,0,0,0|2,0,0]=4 216 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 OR30163 [1,1,0,0,0,0|2,0,0]=4 217 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 OR5937 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 OR5988 [1,1,0,0,0,0|1,0,0]=3 219 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 OR1596 [1,1,0,0,0,0|1,0,1]=4 220 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 OR51990 [1,1,0,0,0,0|1,0,1]=4 221 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 OR1597 [1,1,0,0,0,0|1,0,1]=4 222 B11R1.192 OCCC1=CC(O)=C(O)C=C1 OR2203 [1,1,0,0,0,0|1,0,1]=4 223 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 OR2606 [1,1,0,0,0,0|0,0,0]=2 224 B11R1.3 C=CC1=CC=C(B(O)O)C=C1 OR10599 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 OR7329 [1,1,0,0,0,0|2,0,0]=4 226 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 OR18571 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.3 CC(C)C1=CC=C(CN)C=C1 OR51842 [1,1,0,0,0,0|2,0,0]=4 228 B11R1.3 CC(C)C1=CC=C(CO)C=C1 OR28718 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 OR22097 [1,1,0,0,0,0|2,0,0]=4 230 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 OR21929 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 OR43669 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.3 CN(C)C1=CC=C(CBr)C=C1 OR400627 [1,1,0,0,0,0|2,0,0]=4 233 B11R1.3 CN(C)C1=CC=C(CN)C=C1 OR7726 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.3 CN(C)C1=CC=C(CO)C=C1 OR0847 [1,1,0,0,0,0|2,0,0]=4 235 B11R1.3 CN(C)C1=CC=C(CO)C=C1 OR20011 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 OR30518 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.3 COC1=CC=C(B(O)O)C=C1 OR3665 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 OR315757 [1,1,0,0,0,0|1,0,0]=3 239 B11R1.3 COC1=CC=C(C(=O)O)C=C1 OR10957 [1,1,0,0,0,0|1,0,0]=3 240 B11R1.3 COC1=CC=C(C(C)=O)C=C1 OR11063 [1,1,0,0,0,0|0,0,1]=3 241 B11R1.3 COC1=CC=C(C(C)C)C=C1 OR6453 [1,1,0,0,0,0|0,0,1]=3 242 B11R1.3 COC1=CC=C(C(C)O)C=C1 OR70187 [1,1,0,0,0,0|0,0,1]=3 243 B11R1.3 COC1=CC=C(C(N)=O)C=C1 OR25451 [1,1,0,0,0,0|1,0,0]=3 244 B11R1.3 COC1=CC=C(C(N)=S)C=C1 OR25887 [1,1,0,0,0,0|1,0,0]=3 245 B11R1.3 COC1=CC=C([C@@H](C)N)C=C1 OR40632 [1,1,0,0,0,0|0,0,1]=3 246 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 OR40631 [1,1,0,0,0,0|0,0,1]=3 247 B11R1.3 COC1=CC=C([N+](=O)[O-])C=C1 OR6596 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.3 COC1=NC=C(C(=O)O)C=C1 OR1913 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 OR3455 [1,1,0,0,0,0|0,1,1]=4 250 B11R1.279 COC1=C(Br)C=C(C#N)C=C1 OR2200 [1,1,0,0,0,0|1,0,1]=4 251 B11R1.279 COC1=C(Br)N=C(C=O)C=C1 OR303822 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.279 COC1=C(C)C=C(C=O)C=C1 OR60083 [1,1,0,0,0,0|1,0,0]=3 253 B11R1.279 COC1=C(Cl)C=C(CN)C=C1 OR1501 [1,1,0,0,0,0|1,0,0]=3 254 B11R1.279 COC1=C(Cl)C=C(CN)C=C1 OR52670 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.279 COC1=C(Cl)C=C(CO)C=N1 OR43616 [1,1,0,0,0,0|2,0,0]=4 256 B11R1.279 COC1=C(I)C=C(C#N)C=C1 OR63028 [1,1,0,0,0,0|1,0,1]=4 257 B11R1.279 COC1=C(I)C=C(C=O)C=C1 OR63027 [1,1,0,0,0,0|1,0,0]=3 258 B11R1.279 COC1=C(I)C=C(CO)C=C1 OR401028 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.279 COC1=C(O)C=C(CN)C=C1 OR13028 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.279 COC1=CC(Br)=C(OC)C=C1 OR4516 [1,1,0,0,0,0|1,0,1]=4 261 B11R1.279 COC1=CC(C)=C(C#N)C=C1 OR43646 [1,1,0,0,0,0|1,0,1]=4 262 B11R1.279 COC1=CC(Cl)=C(CN)C=C1 OR55545 [1,1,0,0,0,0|1,0,0]=3 263 B11R1.279 COC1=CC(N)=C(OC)C=C1 OR0958 [1,1,0,0,0,0|1,0,1]=4 264 B11R1.279 COC1=CC(O)=C(C=O)C=C1 OR0913 [1,1,0,0,0,0|1,0,0]=3 265 B11R1.279 COC1=CC(S)=C(OC)C=C1 OR4657 [1,1,0,0,0,0|1,0,1]=4 266 B11R1.279 COC1=CC=C(C#N)C(Cl)=C1 OR29211 [1,1,0,0,0,0|1,0,1]=4 267 B11R1.279 COC1=CC=C(C#N)C=C1N OR42124 [1,1,0,0,0,0|1,0,1]=4 268 B11R1.279 COC1=CC=C(C=O)C(Br)=C1 OR301068 [1,1,0,0,0,0|1,0,0]=3 269 B11R1.279 COC1=CC=C(C=O)C(N)=C1 OR310903 [1,1,0,0,0,0|1,0,0]=3 270 B11R1.279 COC1=CC=C(C=O)C=C1O OR28774 [1,1,0,0,0,0|1,0,0]=3 271 B11R1.279 COC1=CC=C(CO)C(Br)=C1 OR471018 [1,1,0,0,0,0|1,0,0]=3 272 B11R1.279 COC1=CC=C(CO)N=C1Br OR303764 [1,1,0,0,0,0|2,0,0]=4 273 B13R1.5 COC1=CC=C(NC(=O)CCl)C=C1 OR29760 [0,2,0,0,0,0|1,0,1]=4 274 B13R1.5 COC1=CC=C(OC(C)CN)C=C1 OR12731 [0,2,0,0,0,0|1,0,1]=4 275 B13R1.35 COC1=C(Br)C=C(CC(=O)O)C=C1 OR3045 [0,2,0,0,0,0|1,0,0]=3 276 B13R1.142 CCCC1=CC=C(CC(=O)O)C=C1 OR2009 [0,2,0,0,0,0|2,0,0]=4 277 B13R1.142 CCOC1=CC=C(NC(C)=O)C=C1 OR52640 [0,2,0,0,0,0|1,0,1]=4 278 B13R1.142 CCOC1=CC=C(NC(N)=O)C=C1 OR22579 [0,2,0,0,0,0|2,0,0]=4 279 B13R1.142 COCC1=CC=C(CC(=O)O)C=C1 OR19480 [0,2,0,0,0,0|1,0,0]=3 280 B13R1.585 CC(C)C1=CC=C(CC(=O)O)C=C1 OR59979 [0,2,0,0,0,0|2,0,0]=4 281 B13R1.653 COC1=CC(N)=C(NC(C)=O)C=C1 OR21097 [0,2,0,0,0,0|1,0,1]=4 282 B13R1.39 COC1=CC=C(C(C=O)C=O)C=C1 OR6632 [0,2,0,0,0,0|1,0,0]=3 283 B13R1.139 COC(=O)C1=CC=C(CC#N)C=C1 OR46202 [0,2,0,0,0,0|1,0,1]=4 284 B13R1.139 COC(=O)C1=CC=C(CCO)C=C1 OR42262 [0,2,0,0,0,0|1,0,1]=4 285 B13R1.452 CCCC(=O)C1=CC=C(OC)C=C1 OR27758 [0,2,0,0,0,0|0,0,2]=4 286 B13R1.452 COC1=CC=C(C(=O)CC#N)C=C1 OR4090 [0,2,0,0,0,0|1,0,1]=4 287 B13R1.3 COC1=CC=C(C=CC(=O)O)C=C1 OR6574 [0,2,0,0,0,0|0,0,1]=3 288 B13R1.3 COC1=CC=C(C=CC(C)=O)C=C1 OR26402 [0,2,0,0,0,0|0,0,1]=3 289 B13R1.3 CSC1=CC=C(\C=C\C(=O)O)C=C1 OR13167 [0,2,0,0,0,0|0,1,1]=4 290 B13R1.74 CN(C)C1=CC=C(C=CC=O)C=C1 OR17035 [0,2,0,0,0,0|1,0,1]=4 291 B13R1.371 COC1=CC=C(CNCC#N)C=C1 OR61294 [0,2,0,0,0,0|0,0,2]=4 292 B13R1.386 COC1=CC=C(CC#N)C=C1OC OR52311 [0,2,0,0,0,0|1,0,1]=4 293 B13R1.386 COC1=CC=C(CCO)C=C1OC OR42222 [0,2,0,0,0,0|1,0,1]=4 294 B11R2.34 OC1=CC=C(C2CC2)C=C1 OR70008 [1,0,0,1,0,0|0,0,2]=4 295 B11R2.36 BrC1=CC2=C(C=C1)NC=C2 OR1278 [1,0,0,1,0,0|2,0,0]=4 296 B11R2.36 BrC1=CC2=C(C=C1)SC=C2 OR23397 [1,0,0,1,0,0|2,0,0]=4 297 B11R2.36 BrC1=CC=C2CC=CC2=C1 OR30225 [1,0,0,1,0,0|1,0,0]=3 298 B11R2.36 BrC1=CC=C2OC=CC2=C1 OR10831 [1,0,0,1,0,0|2,0,0]=4 299 B11R2.36 CC1=CC2=C(C=C1)NC=C2 OR8470 [1,0,0,1,0,0|1,0,0]=3 300 B11R2.36 CC1=CC2=C(C=C1)NN=C2 OR305086 [1,0,0,1,0,0|2,0,0]=4 301 B11R2.36 CC1=CC2=C(C=C1)SC=C2 OR26010 [1,0,0,1,0,0|1,0,0]=3 302 B11R2.36 CC1=CC2=C(C=CN2)C=C1 OR2254 [1,0,0,1,0,0|1,0,1]=4 303 B11R2.36 CC1=CC=C2N=COC2=C1 OR28152 [1,0,0,1,0,0|2,0,0]=4 304 B11R2.36 CC1=CC=C2OC=NC2=C1 OR28151 [1,0,0,1,0,0|2,0,0]=4 305 B11R2.36 ClC1=CC2=C(C=C1)NC=C2 OR10199 [1,0,0,1,0,0|2,0,0]=4 306 B11R2.36 IC1=CC2=C(C=C1)OC=C2 OR55385 [1,0,0,1,0,0|2,0,0]=4 307 B11R2.36 IC1=CC=C2NC=CC2=C1 OR27541 [1,0,0,1,0,0|2,0,0]=4 308 B11R2.36 NC1=CC2=C(C=C1)OC=C2 OR9276 [1,0,0,1,0,0|2,0,0]=4 309 B11R2.36 NC1=CC=C2NC=CC2=C1 OR27517 [1,0,0,1,0,0|2,0,0]=4 310 B11R2.36 NC1=CC=C2SC=CC2=C1 OR47828 [1,0,0,1,0,0|2,0,0]=4 311 B11R2.36 OC1=CC2=C(C=C1)CCC2 OR5401 [1,0,0,1,0,0|0,0,2]=4 312 B11R2.36 OC1=CC2=C(C=C1)N=CN2 OR2137 [1,0,0,1,0,0|2,0,0]=4 313 B11R2.36 OC1=CC2=C(C=C1)NC=C2 OR10182 [1,0,0,1,0,0|1,0,0]=3 314 B11R2.36 OC1=CC2=C(C=C1)NN=C2 OR13673 [1,0,0,1,0,0|2,0,0]=4 315 B11R2.36 OC1=CC2=C(C=CN2)C=C1 OR7612 [1,0,0,1,0,0|1,0,1]=4 316 B11R2.36 OC1=CC2=CC=NN2C=C1 OR54410 [1,0,0,1,0,0|2,0,0]=4 317 B11R2.36 OC1=CC=C2CCOC2=C1 OR301201 [1,0,0,1,0,0|1,0,1]=4 318 B11R2.36 OC1=CC=C2OC=CC2=C1 OR42004 [1,0,0,1,0,0|1,0,0]=3 319 B11R2.36 OC1=CN=C2NC=CC2=C1 OR301023 [1,0,0,1,0,0|2,0,0]=4 320 B13R2.2121 COC1=CC2=C(C=C1)CC(=O)N2 OR301018 [0,1,0,1,0,0|1,0,0]=3 321 B13R2.2121 COC1=CC2=C(C=C1)N=C(Cl)S2 OR14045 [0,1,0,1,0,0|2,0,0]=4 322 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)C2 OR301024 [0,1,0,1,0,0|1,0,1]=4 323 B13R2.2121 COC1=CC2=C(C=C1)NC(S)=N2 OR9581 [0,1,0,1,0,0|2,0,0]=4 324 B13R2.2121 COC1=CC=C2N=C(N)SC2=C1 OR18278 [0,1,0,1,0,0|2,0,0]=4 325 B13R2.2121 COC1=CC=C2NC(=O)OC2=C1 OR54553 [0,1,0,1,0,0|2,0,0]=4 326 B13R2.2121 COC1=CC=C2NC(C)=CC2=C1 OR46076 [0,1,0,1,0,0|1,0,0]=3 327 B13R2.2121 COC1=CC=C2NC(C)=NC2=C1 OR11211 [0,1,0,1,0,0|1,0,1]=4 328 B13R2.2121 COC1=CC=C2NC(Cl)=NC2=C1 OR17603 [0,1,0,1,0,0|2,0,0]=4 329 B13R2.2121 COC1=CC=C2SC(N)=NC2=C1 OR2965 [0,1,0,1,0,0|2,0,0]=4 330 B13R2.2121 COC1=CN2C=C(Br)N=C2C=C1 OR965427 [0,1,0,1,0,0|2,0,0]=4 331 B13R2.186 COC1=CC=C(C2(N)CC2)C=C1 OR40759 [0,1,0,1,0,0|0,0,2]=4 332 B13R2.57 COC1=CC2=C(C=C1)CCCC2 OR54469 [0,1,0,1,0,0|0,0,2]=4 333 B13R2.57 COC1=CC2=C(C=C1)CNCC2 OR301147 [0,1,0,1,0,0|0,0,2]=4 334 B13R2.57 COC1=CC2=C(C=C1)CNCC2 OR310932 [0,1,0,1,0,0|0,0,2]=4 335 B13R2.57 COC1=CC=C2C=CN=CC2=C1 OR8563 [0,1,0,1,0,0|0,0,1]=3 336 B13R2.57 COC1=CC=C2C=NC=CC2=C1 OR8562 [0,1,0,1,0,0|0,0,1]=3 337 B13R2.57 COC1=CC=C2N=CC=CC2=C1 OR14908 [0,1,0,1,0,0|0,0,1]=3 338 B13R2.57 COC1=CC=C2N=CC=NC2=C1 OR11203 [0,1,0,1,0,0|1,0,0]=3 339 B13R2.57 COC1=CC=C2OCCNC2=C1 OR110734 [0,1,0,1,0,0|1,0,1]=4 340 B13R2.669 COC1=CC2=C(C=C1)CNC2=O OR305281 [0,1,0,1,0,0|1,0,0]=3 341 B13R2.669 COC1=CC2=C(C=N1)NC=C2Br OR46100 [0,1,0,1,0,0|2,0,0]=4 342 B13R2.669 COC1=CC=C2NN=C(Br)C2=C1 OR110396 [0,1,0,1,0,0|2,0,0]=4 343 B13R2.430 CC(=O)C1=CC2=C(C=C1)NC=C2 OR8356 [0,1,0,1,0,0|2,0,0]=4 344 B13R2.430 CC(C)C1=CC2=C(C=C1)NC=C2 OR305542 [0,1,0,1,0,0|2,0,0]=4 345 B13R2.430 O=[N+]([O-])C1=CC=C2CC=CC2=C1 OR30533 [0,1,0,1,0,0|2,0,0]=4 346 B13R2.654 COC1=CC2=C(C=CN2)C(Cl)=C1 OR6800T [0,1,0,1,0,0|1,0,1]=4 347 B13R2.654 COC1=CC2=C(N=CN2)C(Br)=C1 OR400429 [0,1,0,1,0,0|2,0,0]=4 348 B13R2.654 COC1=CC2=C(OC=N2)C(Br)=C1 OR14090 [0,1,0,1,0,0|2,0,0]=4 349 B13R2.449 BrCCC1=CC2=C(C=C1)OCC2 OR2451 [0,1,0,1,0,0|1,0,1]=4 350 B13R2.449 CCOC1=CC2=C(C=C1)NC=C2 OR13724 [0,1,0,1,0,0|1,0,0]=3 351 B13R2.449 ClCCC1=CC2=C(C=C1)OCO2 OR9297 [0,1,0,1,0,0|1,0,1]=4 352 B13R2.449 OCCC1=CC2=C(C=C1)OCC2 OR2452 [0,1,0,1,0,0|1,0,1]=4 353 B13R2.449 OCCC1=CC2=C(C=C1)OCO2 OR9252 [0,1,0,1,0,0|1,0,1]=4 354 B13R2.84 COC1=C(O)C2=C(C=C1)NC=C2 OR305527 [0,1,0,1,0,0|1,0,0]=3