0 B10R1.3 CCC1=CC=C(CC)C=C1 C14583 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.3 COC1=CC=C(C=O)C=C1 C10761 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.3 NNC1=CC=C(CO)C=C1 C03994 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.3 ON=C1C=CC(=NO)C=C1 C19345 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.1 C=CC1=CC=C(O)C=C1 C05627 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.1 CC1=CC=C(C=O)C=C1 C06758 [1,0,0,0,0,0|0,0,0]=1 6 B9R1.1 CC1=CC=C(CO)C=C1 C06757 [1,0,0,0,0,0|0,0,2]=3 7 B9R1.1 CCC1=CC=C(O)C=C1 C13637 [1,0,0,0,0,0|0,0,1]=2 8 B9R1.1 CNC1=CC=C(O)C=C1 C11206 [1,0,0,0,0,0|1,0,1]=3 9 B9R1.1 COC1=CC=C(N)C=C1 C19326 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.1 O=CC1=CC=C(Cl)C=C1 C06648 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.1 O=CC1=CC=C(O)C=C1 C00633 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.1 OCC1=CC=C(O)C=C1 C17467 [1,0,0,0,0,0|1,0,1]=3 13 B11R1.3 CC(C)C1=CC=C(C=O)C=C1 C06577 [0,1,0,0,0,0|0,0,0]=1 14 B11R1.3 CC(C)C1=CC=C(CO)C=C1 C06576 [0,1,0,0,0,0|0,0,2]=3 15 B11R1.3 CN(C)C1=CC=C(N=O)C=C1 C19680 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.3 CN(C)C1=CC=C(NO)C=C1 C19681 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.3 CN(C)C1=CC=C([N+]#N)C=C1 C13681 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 C03522 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.3 COC1=CC=C(C(=O)O)C=C1 C02519 [0,1,0,0,0,0|1,0,0]=2 20 B11R1.3 COC1=CC=C([N+](=O)[O-])C=C1 C07555 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.3 O=C(O)C1=CC=C([Hg]Cl)C=C1 C03444 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.3 [*][Hg]C1=CC=C(C(=O)O)C=C1 C00985 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.83 C=CCC1=CC=C(OC)C=C1 C10452 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 C10428 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.279 O=CC1=CC=C(CO)C=C1O C14108 [0,1,0,0,0,0|1,0,0]=2 26 B9R1.21 O=CC1=CC=C(C=O)O1 C20899 [0,0,0,0,1,0|2,0,1]=4 27 B9R1.21 O=CC1=CC=C(CO)O1 C11101 [0,0,0,0,1,0|2,0,0]=3 28 B8R1.2 C=CC1=CC=CC=C1 C07083 [2,0,0,0,0,0|1,0,0]=3 29 B8R1.2 C=CC1=CC=CC=C1 C19506 [2,0,0,0,0,0|1,0,0]=3 30 B8R1.2 C=CC1=CC=CC=C1 C19573 [2,0,0,0,0,0|1,0,0]=3 31 B8R1.2 C=CC1=CC=CC=C1 C19575 [2,0,0,0,0,0|1,0,0]=3 32 B8R1.2 CCC1=CC=CC=C1 C07111 [2,0,0,0,0,0|0,0,0]=2 33 B8R1.2 CNC1=CC=CC=C1 C02299 [2,0,0,0,0,0|1,0,0]=3 34 B8R1.2 COC1=CC=CC=C1 C01403 [2,0,0,0,0,0|1,0,0]=3 35 B8R1.2 ClCC1=CC=CC=C1 C19167 [2,0,0,0,0,0|1,0,0]=3 36 B8R1.2 N#CC1=CC=CC=C1 C09814 [2,0,0,0,0,0|1,0,1]=4 37 B8R1.2 N#[N+]C1=CC=CC=C1 C20284 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.2 NCC1=CC=CC=C1 C15562 [2,0,0,0,0,0|1,0,0]=3 39 B8R1.2 NCC1=CC=CC=N1 C17926 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.2 NNC1=CC=CC=C1 C02304 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.2 O=CC1=CC=CC=C1 C00193 [2,0,0,0,0,0|0,0,0]=2 42 B8R1.2 O=CC1=CC=CC=C1 C00261 [2,0,0,0,0,0|0,0,0]=2 43 B8R1.2 O=CC1=CN=CC=C1 C07327 [2,0,0,0,0,0|1,0,0]=3 44 B8R1.2 O=NC1=CC=CC=C1 C06876 [2,0,0,0,0,0|1,0,0]=3 45 B8R1.2 O=[C]C1=CC=NC=C1 C21754 [2,0,0,0,0,0|1,0,1]=4 46 B8R1.2 OCC1=CC=CC=C1 C00556 [2,0,0,0,0,0|1,0,0]=3 47 B8R1.2 OCC1=CC=CC=C1 C03485 [2,0,0,0,0,0|1,0,0]=3 48 B8R1.2 ONC1=CC=CC=C1 C02720 [2,0,0,0,0,0|1,0,1]=4 49 B8R1.3 CC1=CC=C(C)C=C1 C06756 [2,0,0,0,0,0|0,0,1]=3 50 B8R1.3 CC1=CC=C(Cl)C=C1 C14451 [2,0,0,0,0,0|1,0,0]=3 51 B8R1.3 CC1=CC=C(O)C=C1 C01468 [2,0,0,0,0,0|0,0,1]=3 52 B8R1.3 ClC1=CC=C(Cl)C=C1 C07092 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.3 NC1=CC=C(Cl)C=C1 C14450 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.3 NC1=CC=C(F)C=C1 C11014 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.3 NC1=CC=C(N)C=C1 C19499 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.3 NC1=CC=C(O)C=C1 C02372 [2,0,0,0,0,0|1,0,1]=4 57 B8R1.3 O=C1C=CC(=O)C=C1 C00472 [2,0,0,0,0,0|1,0,0]=3 58 B8R1.3 OC1=CC=C(Br)C=C1 C14453 [2,0,0,0,0,0|1,0,1]=4 59 B8R1.3 OC1=CC=C(Cl)C=C1 C02124 [2,0,0,0,0,0|1,0,1]=4 60 B8R1.3 OC1=CC=C(F)C=C1 C16485 [2,0,0,0,0,0|1,0,1]=4 61 B8R1.3 OC1=CC=C(O)C=C1 C00530 [2,0,0,0,0,0|1,0,1]=4 62 B8R1.3 [*]C1=CC=C(N)C=C1 C03084 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.3 [O]C1=CC=C(O)C=C1 C02389 [2,0,0,0,0,0|1,0,1]=4 64 B10R0.82 C=C(C\C=C(/C)C=O)C(C)C C11942 [0,1,1,0,0,0|0,0,2]=4 65 B10R0.82 C=C(C\C=C(\C)C=O)C(C)C C04435 [0,1,1,0,0,0|0,0,2]=4 66 B10R1.1 C=CCC1=CC=C(O)C=C1 C16930 [1,1,0,0,0,0|0,0,2]=4 67 B10R1.1 CCCC1=CC=C(O)C=C1 C14311 [1,1,0,0,0,0|0,0,1]=3 68 B10R1.1 C\C=C\C1=CC=C(O)C=C1 C20464 [1,1,0,0,0,0|0,0,2]=4 69 B10R1.1 N#CCC1=CC=C(Cl)C=C1 C03679 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.1 N#CCC1=CC=C(O)C=C1 C03766 [1,1,0,0,0,0|0,0,2]=4 71 B10R1.1 NCCC1=CC=C(O)C=C1 C00483 [1,1,0,0,0,0|0,0,1]=3 72 B10R1.1 O=CCC1=CC=C(O)C=C1 C03765 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.1 OCCC1=CC=C(O)C=C1 C06044 [1,1,0,0,0,0|0,0,1]=3 74 B10R1.1 [*]C1=CC=C(CC#N)C=C1 C04116 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C06647 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.13 CC(=O)C1=CC=C(O)C=C1 C10700 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.13 CC(N)C1=CC=C(O)C=C1 C03473 [1,1,0,0,0,0|0,0,1]=3 78 B10R1.13 CC(O)C1=CC=C(O)C=C1 C13638 [1,1,0,0,0,0|0,0,1]=3 79 B10R1.13 CC1=CC=C(C(=O)O)C=C1 C01454 [1,1,0,0,0,0|0,0,0]=2 80 B10R1.13 CC1=CC=C(C(C)C)C=C1 C06575 [1,1,0,0,0,0|0,0,1]=3 81 B10R1.13 CC1=CC=C([N+](=O)[O-])C=C1 C14394 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.13 CN(C)C1=CC=C(N)C=C1 C04203 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.13 N=C(N)C1=CC=C(N)C=C1 C11628 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.13 NC1=CC=C(C(=O)O)C=C1 C00568 [1,1,0,0,0,0|1,0,0]=3 85 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 C02126 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 C02370 [1,1,0,0,0,0|1,0,0]=3 87 B10R1.13 O=C(O)C1=CC=C(F)C=C1 C02371 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.13 O=C(O)C1=CC=C(O)C=C1 C00156 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.13 O=C(O)C1=CN=C(O)C=C1 C01020 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 C14456 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 C00870 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.25 COC1=C(N)C=C(C)C=C1 C19216 [1,1,0,0,0,0|1,0,1]=4 93 B10R1.25 COC1=C(N)C=C(N)C=C1 C19218 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.176 C=CC1=CC=C(O)C(O)=C1 C06224 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.176 CC1=C(O)C=CC(C=O)=C1 C21166 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.176 COC1=CC(C)=C(N)C=C1 C19376 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.176 O=CC1=CC(O)=C(O)C=C1 C16700 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.176 OCC1=CC=C(O)C(O)=C1 C14110 [1,1,0,0,0,0|1,0,1]=4 99 B10R1.31 O=C(O)C1=CC=C(CO)O1 C20448 [0,1,0,0,1,0|2,0,0]=4 100 B10R1.31 O=CC1=CC=C(C(O)O)O1 C20900 [0,1,0,0,1,0|2,0,0]=4 101 B12R1.5 CN(N=O)C1=CC=C(N=O)C=C1 C19452 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.6 NCC1=CC=C(S(N)(=O)=O)C=C1 C07106 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.6 O=CC1=CC=C(S(=O)(=O)O)C=C1 C06679 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.6 O=S(=O)(O)C1=CC=C(CO)C=C1 C06678 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.48 COC1=C(N)C=C([N+](=O)[O-])C=C1 C19469 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.48 COC1=C(O)C=C([N+](=O)[O-])C=C1 C17385 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.256 CC(=O)C1=CC=C([N+](=O)[O-])C=C1 C02803 [0,2,0,0,0,0|1,0,1]=4 108 B12R1.256 CC(C)C1=CC=C(C(=O)O)C=C1 C06578 [0,2,0,0,0,0|0,0,0]=2 109 B12R1.256 O=C(O)C1=CC=C(C(=O)O)C=C1 C06337 [0,2,0,0,0,0|1,0,1]=4 110 B12R1.256 O=C(O)C1=CC=C([N+](=O)[O-])C=C1 C18625 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.452 COC1=CC=C(C(=O)O)C(O)=C1 C18346 [0,2,0,0,0,0|1,0,0]=3 112 B12R1.452 COC1=CC=C(C(C)=O)C(O)=C1 C10712 [0,2,0,0,0,0|1,0,0]=3 113 B12R1.452 O=C(O)C1=CC=C(CO)C=C1O C14109 [0,2,0,0,0,0|1,0,0]=3 114 B12R1.452 O=CC1=CC=C(C(=O)O)C(O)=C1 C14100 [0,2,0,0,0,0|1,0,1]=4 115 B12R1.71 COC1=CC=C(\C=C\C=O)C=C1 C10475 [0,2,0,0,0,0|1,0,0]=3 116 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 C02201 [0,2,0,0,0,0|1,0,0]=3 117 B10R1.2 CC1=C(O)C(C=O)=CC=C1 C14087 [0,0,1,1,0,0|1,0,1]=4 118 B10R1.2 CCC1=C(O)C(=O)C=CO1 C20362 [0,0,1,1,0,0|2,0,0]=4 119 B10R1.2 CCC1=CC=CC(O)=C1O C06728 [0,0,1,1,0,0|1,0,1]=4 120 B12R2.44 O=CC1=CC2=C(C=C1)OCO2 C10812 [0,1,0,1,0,0|1,0,0]=3 121 B8R1.1 CC1=CC=C(C=O)O1 C11115 [1,0,0,0,1,0|1,0,0]=3