0 B10R1.1 C=CCC1=CC=C(O)C=C1 C16930 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.1 CCCC1=CC=C(O)C=C1 C14311 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.1 C\C=C\C1=CC=C(O)C=C1 C20464 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.1 N#CCC1=CC=C(Cl)C=C1 C03679 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.1 N#CCC1=CC=C(O)C=C1 C03766 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.1 NCCC1=CC=C(O)C=C1 C00483 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.1 O=CCC1=CC=C(O)C=C1 C03765 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.1 OCCC1=CC=C(O)C=C1 C06044 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.1 [*]C1=CC=C(CC#N)C=C1 C04116 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.1 C=CC1=CC=C(O)C=C1 C05627 [1,0,0,0,0,0|0,0,2]=3 10 B9R1.1 CC1=CC=C(C=O)C=C1 C06758 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.1 CC1=CC=C(CO)C=C1 C06757 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.1 CCC1=CC=C(O)C=C1 C13637 [1,0,0,0,0,0|0,0,0]=1 13 B9R1.1 CNC1=CC=C(O)C=C1 C11206 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.1 COC1=CC=C(N)C=C1 C19326 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.1 O=CC1=CC=C(Cl)C=C1 C06648 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.1 O=CC1=CC=C(O)C=C1 C00633 [1,0,0,0,0,0|1,0,1]=3 17 B9R1.1 OCC1=CC=C(O)C=C1 C17467 [1,0,0,0,0,0|1,0,0]=2 18 B9R1.8 CCNC1=CC=CC=C1 C14455 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.8 N#CCC1=CC=CC=C1 C16074 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.8 NCCC1=CC=CC=C1 C05332 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.8 O=CCC1=CC=CC=C1 C00601 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.8 OCCC1=CC=CC=C1 C05853 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.1 C(CC1=CC=C(O)C=C1)=N/O C04350 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.1 C(CC1=CC=C(O)C=C1)=N\O C04353 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.1 CCCCC1=CC=C(O)C=C1 C14464 [0,1,0,0,0,0|1,0,0]=2 26 B11R1.1 CNCCC1=CC=C(O)C=C1 C02442 [0,1,0,0,0,0|1,0,0]=2 27 B11R1.1 O=CCCC1=CC=C(O)C=C1 C16706 [0,1,0,0,0,0|1,0,1]=3 28 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 C05608 [0,1,0,0,0,0|1,0,2]=4 29 B11R1.1 OC\C=C\C1=CC=C(O)C=C1 C02646 [0,1,0,0,0,0|1,0,1]=3 30 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 C14494 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 C06804 [0,1,0,0,0,0|1,0,1]=3 32 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 C01963 [0,1,0,0,0,0|1,0,1]=3 33 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 C13636 [0,1,0,0,0,0|0,0,1]=2 34 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 C00642 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 C13342 [0,1,0,0,0,0|1,0,0]=2 36 B11R1.22 CCC(C)C1=CC=C(O)C=C1 C14139 [0,1,0,0,0,0|1,0,0]=2 37 B11R1.22 N#CC(O)C1=CC=C(O)C=C1 C00650 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.22 N#C[C@@H](O)C1=CC=C(O)C=C1 C03742 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.22 NC[C@H](O)C1=CC=C(O)C=C1 C04227 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.22 O=C(CO)C1=CC=C(O)C=C1 C13635 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.22 [*]SC(=O)C1=CC=C(O)C=C1 C21505 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.81 [*]\C=C\C1=CC=C(O)C=C1O C18089 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.83 C=CCC1=CC=C(OC)C=C1 C10452 [0,1,0,0,0,0|1,0,2]=4 44 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 C10428 [0,1,0,0,0,0|1,0,1]=3 45 B11R1.192 NCCC1=CC(=O)C(=O)C=C1 C17755 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.192 NCCC1=CC=C(O)C(O)=C1 C03758 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.192 O=CCC1=CC(O)=C(O)C=C1 C04043 [0,1,0,0,0,0|2,0,1]=4 48 B11R2.36 OC1=CC2=C(C=C1)NC=N2 C21764 [0,0,0,1,0,0|2,0,1]=4 49 B11R2.36 OC1=CC=C2OCOC2=C1 C10832 [0,0,0,1,0,0|1,0,0]=2 50 B8R1.2 C=CC1=CC=CC=C1 C07083 [2,0,0,0,0,0|0,0,2]=4 51 B8R1.2 C=CC1=CC=CC=C1 C19506 [2,0,0,0,0,0|0,0,2]=4 52 B8R1.2 C=CC1=CC=CC=C1 C19573 [2,0,0,0,0,0|0,0,2]=4 53 B8R1.2 C=CC1=CC=CC=C1 C19575 [2,0,0,0,0,0|0,0,2]=4 54 B8R1.2 CCC1=CC=CC=C1 C07111 [2,0,0,0,0,0|0,0,0]=2 55 B8R1.2 CNC1=CC=CC=C1 C02299 [2,0,0,0,0,0|1,0,0]=3 56 B8R1.2 COC1=CC=CC=C1 C01403 [2,0,0,0,0,0|0,0,0]=2 57 B8R1.2 ClCC1=CC=CC=C1 C19167 [2,0,0,0,0,0|1,0,0]=3 58 B8R1.2 N#CC1=CC=CC=C1 C09814 [2,0,0,0,0,0|1,0,1]=4 59 B8R1.2 N#[N+]C1=CC=CC=C1 C20284 [2,0,0,0,0,0|2,0,0]=4 60 B8R1.2 NCC1=CC=CC=C1 C15562 [2,0,0,0,0,0|1,0,0]=3 61 B8R1.2 NCC1=CC=CC=N1 C17926 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.2 NNC1=CC=CC=C1 C02304 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.2 O=CC1=CC=CC=C1 C00193 [2,0,0,0,0,0|1,0,1]=4 64 B8R1.2 O=CC1=CC=CC=C1 C00261 [2,0,0,0,0,0|1,0,1]=4 65 B8R1.2 O=NC1=CC=CC=C1 C06876 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.2 OCC1=CC=CC=C1 C00556 [2,0,0,0,0,0|1,0,0]=3 67 B8R1.2 OCC1=CC=CC=C1 C03485 [2,0,0,0,0,0|1,0,0]=3 68 B8R1.2 ONC1=CC=CC=C1 C02720 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.3 CC1=CC=C(C)C=C1 C06756 [2,0,0,0,0,0|1,0,0]=3 70 B8R1.3 CC1=CC=C(Cl)C=C1 C14451 [2,0,0,0,0,0|1,0,0]=3 71 B8R1.3 CC1=CC=C(O)C=C1 C01468 [2,0,0,0,0,0|0,0,0]=2 72 B8R1.3 ClC1=CC=C(Cl)C=C1 C07092 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.3 NC1=CC=C(Cl)C=C1 C14450 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.3 NC1=CC=C(F)C=C1 C11014 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.3 NC1=CC=C(N)C=C1 C19499 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.3 NC1=CC=C(O)C=C1 C02372 [2,0,0,0,0,0|1,0,0]=3 77 B8R1.3 O=C1C=CC(=O)C=C1 C00472 [2,0,0,0,0,0|0,0,2]=4 78 B8R1.3 OC1=CC=C(Br)C=C1 C14453 [2,0,0,0,0,0|1,0,0]=3 79 B8R1.3 OC1=CC=C(Cl)C=C1 C02124 [2,0,0,0,0,0|1,0,0]=3 80 B8R1.3 OC1=CC=C(F)C=C1 C16485 [2,0,0,0,0,0|1,0,0]=3 81 B8R1.3 OC1=CC=C(O)C=C1 C00530 [2,0,0,0,0,0|0,0,0]=2 82 B8R1.3 OC1=CC=C(O)N=C1 C01059 [2,0,0,0,0,0|1,0,0]=3 83 B8R1.3 [*]C1=CC=C(N)C=C1 C03084 [2,0,0,0,0,0|2,0,0]=4 84 B8R1.3 [O]C1=CC=C(O)C=C1 C02389 [2,0,0,0,0,0|0,0,1]=3 85 B10R1.3 CCC1=CC=C(CC)C=C1 C14583 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.3 COC1=CC=C(C=O)C=C1 C10761 [1,1,0,0,0,0|0,0,1]=3 87 B10R1.3 NNC1=CC=C(CO)C=C1 C03994 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.3 ON=C1C=CC(=NO)C=C1 C19345 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C06647 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.13 CC(=O)C1=CC=C(O)C=C1 C10700 [1,1,0,0,0,0|0,0,1]=3 91 B10R1.13 CC(N)C1=CC=C(O)C=C1 C03473 [1,1,0,0,0,0|0,0,0]=2 92 B10R1.13 CC(O)C1=CC=C(O)C=C1 C13638 [1,1,0,0,0,0|0,0,0]=2 93 B10R1.13 CC1=CC=C(C(C)C)C=C1 C06575 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.13 CN(C)C1=CC=C(N)C=C1 C04203 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.13 O=C(O)C1=CC=C(O)C=C1 C00156 [1,1,0,0,0,0|1,0,1]=4 96 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 C00870 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.25 COC1=C(N)C=C(C)C=C1 C19216 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.25 COC1=C(N)C=C(N)C=C1 C19218 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.176 C=CC1=CC=C(O)C(O)=C1 C06224 [1,1,0,0,0,0|0,0,2]=4 100 B10R1.176 CC1=C(O)C=CC(C=O)=C1 C21166 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.176 COC1=CC(C)=C(N)C=C1 C19376 [1,1,0,0,0,0|1,0,0]=3 102 B10R1.176 O=C1C=C(CO)OC=C1O C14516 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.176 O=CC1=CC(O)=C(O)C=C1 C16700 [1,1,0,0,0,0|1,0,1]=4 104 B10R1.176 OCC1=CC=C(O)C(O)=C1 C14110 [1,1,0,0,0,0|1,0,0]=3 105 B10R1.15 CCC(C)C1=CC=CC=C1 C14142 [1,1,0,0,0,0|1,0,0]=3 106 B10R1.15 COC(=O)C1=CC=CC=C1 C20645 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.15 NCC(O)C1=CC=CC=C1 C02735 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.15 O=C(CO)C1=CC=CC=C1 C07189 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.17 CCCCC1=CC=CC=C1 C18150 [1,1,0,0,0,0|1,0,0]=3 110 B10R1.17 COCCC1=NC=CC=C1 C18396 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.17 NNCCC1=CC=CC=C1 C07430 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.17 NNCCC1=CC=CC=C1 C07431 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.17 O=COCC1=CC=CC=C1 C05613 [1,1,0,0,0,0|1,0,1]=4 114 B10R1.17 OC\C=C\C1=CC=CC=C1 C02394 [1,1,0,0,0,0|1,0,1]=4 115 B10R1.18 CC(=O)CC1=CC=CC=C1 C15512 [1,1,0,0,0,0|1,0,1]=4 116 B10R1.18 CC(=O)NC1=CC=CC=C1 C07565 [1,1,0,0,0,0|1,0,1]=4 117 B10R1.18 CC(=O)OC1=CC=CC=C1 C00548 [1,1,0,0,0,0|0,0,1]=3 118 B10R1.18 CC(=O)OC1=CC=CC=C1 C15583 [1,1,0,0,0,0|0,0,1]=3 119 B10R1.18 CC(N)CC1=CC=CC=C1 C07514 [1,1,0,0,0,0|1,0,0]=3 120 B10R1.18 C[C@H](N)CC1=CC=CC=C1 C07884 [1,1,0,0,0,0|1,0,0]=3 121 B12R1.1 CCCCCC1=CC=C(O)C=C1 C14466 [0,2,0,0,0,0|1,0,0]=3 122 B12R1.1 CCCCOC1=CC=C(O)C=C1 C14351 [0,2,0,0,0,0|0,0,0]=2 123 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 C07527 [0,2,0,0,0,0|1,0,0]=3 124 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 C04548 [0,2,0,0,0,0|1,0,0]=3 125 B12R1.16 CNC[C@H](O)C1=CC=C(O)C=C1 C01869 [0,2,0,0,0,0|1,0,0]=3 126 B12R1.16 O=C(CCF)C1=CC=C(O)C=C1 C15075 [0,2,0,0,0,0|1,0,0]=3 127 B12R1.21 CC(=O)\C=C\C1=CC=C(O)C=C1 C12088 [0,2,0,0,0,0|1,0,1]=4 128 B12R1.21 CC(C)CCC1=CC=C(O)C=C1 C14697 [0,2,0,0,0,0|1,0,0]=3 129 B12R1.21 CC(O)CCC1=CC=C(O)C=C1 C17690 [0,2,0,0,0,0|1,0,0]=3 130 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 C06199 [0,2,0,0,0,0|1,0,0]=3 131 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 C01744 [0,2,0,0,0,0|1,0,1]=4 132 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 C07088 [0,2,0,0,0,0|1,0,1]=4 133 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 C03235 [0,2,0,0,0,0|0,0,1]=3 134 B12R1.69 CCCCC1=CC=C(O)C=C1O C18343 [0,2,0,0,0,0|1,0,0]=3 135 B12R1.385 CNCCC1=CC=C(O)C(O)=C1 C07453 [0,2,0,0,0,0|1,0,0]=3 136 B12R1.385 OC\C=C\C1=CC=C(O)C(O)=C1 C12206 [0,2,0,0,0,0|1,0,1]=4 137 B12R1.106 CC(C)(N)CC1=CC=C(Cl)C=C1 C07559 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.9 CCC(C)(C)C1=CC=C(O)C=C1 C14226 [0,2,0,0,0,0|1,0,0]=3 139 B12R1.367 COC(=O)C1=CC=C(O)C(N)=C1 C14171 [0,2,0,0,0,0|2,0,0]=4 140 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 C00547 [0,2,0,0,0,0|2,0,0]=4 141 B12R1.367 OCC(O)C1=CC(O)=C(O)C=C1 C05576 [0,2,0,0,0,0|2,0,0]=4 142 B12R1.286 COC1=CC(CCN)=CC=C1O C05587 [0,2,0,0,0,0|2,0,0]=4 143 B12R1.286 C\C=C\C1=CC=C(O)C(OC)=C1 C10469 [0,2,0,0,0,0|1,0,1]=4 144 B10R1.2 CCC1=CC=CC(O)=C1O C06728 [0,0,1,1,0,0|2,0,0]=4 145 B10R2.6 C1=CC=C(C2CO2)C=C1 C02083 [1,0,0,1,0,0|2,0,0]=4 146 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 C20782 [1,0,0,1,0,0|2,0,0]=4 147 B10R2.7 C1=CC=C2OC=CC2=C1 C14512 [1,0,0,1,0,0|0,0,2]=4 148 B12R2.24 OC1=CC=C2CCCCC2=C1 C14309 [0,1,0,1,0,0|1,0,0]=3 149 B12R2.44 O=CC1=CC2=C(C=C1)OCO2 C10812 [0,1,0,1,0,0|1,0,1]=4 150 B12R2.100 OC1=C(O)C=C2NCCC2=C1 C17756 [0,1,0,1,0,0|1,0,0]=3