0 B10R1.25 COC1=C(N)C=C(C)C=C1 C19216 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.25 COC1=C(N)C=C(N)C=C1 C19218 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.1 C=CC1=CC=C(O)C=C1 C05627 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.1 CC1=CC=C(C=O)C=C1 C06758 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.1 CC1=CC=C(CO)C=C1 C06757 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.1 CCC1=CC=C(O)C=C1 C13637 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.1 CNC1=CC=C(O)C=C1 C11206 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.1 COC1=CC=C(N)C=C1 C19326 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.1 O=CC1=CC=C(Cl)C=C1 C06648 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.1 O=CC1=CC=C(O)C=C1 C00633 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.1 OCC1=CC=C(O)C=C1 C17467 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.15 CC1=C(C=O)C=CC=C1 C07214 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.15 CC1=C(CO)C=CC=C1 C07213 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.15 CCC1=C(C)C=CC=C1 C14572 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.15 CCC1=CC=CC=C1O C14385 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.15 COC1=C(N)C=CC=C1 C19191 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.15 COC1=CC=CC=C1I C03575 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.15 COC1=CC=CC=C1O C01502 [1,0,0,0,0,0|1,0,0]=2 18 B9R1.15 COC1=CC=CC=C1O C15572 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.15 NNC1=C(Cl)C=CC=C1 C11582 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.15 O=CC1=C(O)C=CC=C1 C06202 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.15 OCC1=CC=CC=C1O C02323 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.69 CC1=C(Cl)C=C(Cl)C=C1 C18300 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.69 CC1=C(Cl)C=CC(O)=C1 C14331 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.69 CC1=C(N)C=C(Cl)C=C1 C19366 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.69 CC1=C(N)C=C(N)C=C1 C14401 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.69 CC1=C(N)C=CC(Cl)=C1 C19169 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.69 CC1=C(N)C=CC(N)=C1 C19386 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.69 CC1=CC(C)=C(C)C=C1 C14533 [1,0,0,0,0,0|0,0,0]=1 29 B9R1.69 CC1=CC(C)=C(N)C=C1 C11003 [1,0,0,0,0,0|1,0,0]=2 30 B9R1.69 CC1=CC(C)=C(O)C=C1 C14582 [1,0,0,0,0,0|0,0,0]=1 31 B9R1.69 CC1=CC(Cl)=CC=C1O C03359 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.69 CC1=CC(N)=C(C)C=C1 C18993 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.69 CC1=CC(O)=C(O)C=C1 C06730 [1,0,0,0,0,0|1,0,0]=2 34 B9R1.69 CC1=CC=C(O)C(Cl)=C1 C15220 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.69 ClC1=CC(Cl)=C(Cl)C=C1 C06594 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.69 NC1=C(Cl)C=CC(Cl)=C1 C14712 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.69 NC1=C(O)C=C(Cl)C=C1 C20669 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.69 NC1=CC(N)=C(Cl)C=C1 C19365 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.69 NC1=CC(O)=C(O)C=C1 C18351 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.69 NC1=CC(O)=CC=C1O C14604 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.69 NC1=CC=C(Cl)C(Cl)=C1 C02791 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.69 NC1=CC=C(Cl)C=C1Cl C14419 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.69 NC1=CC=C(Cl)C=C1N C19207 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.69 O=C1C=CC(=O)C(O)=C1 C07103 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.69 O=C1C=CC(Br)=CC1=O C14846 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.69 OC1=C(Br)C=C(Br)C=C1 C14521 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.69 OC1=C(Cl)C=CC(Cl)=C1 C06602 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.69 OC1=C(O)C=C(Br)C=C1 C14843 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.69 OC1=CC(Cl)=C(Cl)C=C1 C14462 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.69 OC1=CC(Cl)=C(O)C=C1 C06601 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.69 OC1=CC=C(Cl)C=C1Cl C02625 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.69 OC1=CC=C(Cl)C=C1O C02375 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.69 OC1=CC=C(F)C=C1O C16473 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.69 OC1=CC=C(O)C(O)=C1 C02814 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.69 OC1=CC=C(O)C(O)=N1 C03458 [1,0,0,0,0,0|3,0,0]=4 56 B11R1.166 CC(=O)C1=CC=C(O)C=C1O C03663 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.166 CC1=C(C(C)C)C=CC(O)=C1 C14741 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.166 CC1=CC=C(C(=O)O)C(O)=C1 C14103 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.166 CC1=CC=C(C(C)C)C(O)=C1 C09908 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.279 O=CC1=CC=C(CO)C=C1O C14108 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.464 COC1=C(Cl)C=C(Cl)C=C1Cl C11510 [0,1,0,0,0,0|2,0,0]=3 62 B11R2.36 OC1=CC=C2OCOC2=C1 C10832 [0,0,0,1,0,0|2,0,0]=3 63 B8R0.8 C\C=C/C=C(/O)C(=O)O C11354 [1,0,1,0,0,0|2,0,0]=4 64 B8R0.8 C\C=C/C=C(\O)C(=O)O C20240 [1,0,1,0,0,0|2,0,0]=4 65 B8R1.2 C=CC1=CC=CC=C1 C07083 [2,0,0,0,0,0|1,0,1]=4 66 B8R1.2 C=CC1=CC=CC=C1 C19506 [2,0,0,0,0,0|1,0,1]=4 67 B8R1.2 C=CC1=CC=CC=C1 C19573 [2,0,0,0,0,0|1,0,1]=4 68 B8R1.2 C=CC1=CC=CC=C1 C19575 [2,0,0,0,0,0|1,0,1]=4 69 B8R1.2 CCC1=CC=CC=C1 C07111 [2,0,0,0,0,0|1,0,0]=3 70 B8R1.2 CNC1=CC=CC=C1 C02299 [2,0,0,0,0,0|1,0,0]=3 71 B8R1.2 COC1=CC=CC=C1 C01403 [2,0,0,0,0,0|0,0,0]=2 72 B8R1.2 ClCC1=CC=CC=C1 C19167 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.2 N#CC1=CC=CC=C1 C09814 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.2 N#[N+]C1=CC=CC=C1 C20284 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.2 NCC1=CC=CC=C1 C15562 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.2 NNC1=CC=CC=C1 C02304 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.2 O=CC1=CC=CC=C1 C00193 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.2 O=CC1=CC=CC=C1 C00261 [2,0,0,0,0,0|2,0,0]=4 79 B8R1.2 O=NC1=CC=CC=C1 C06876 [2,0,0,0,0,0|2,0,0]=4 80 B8R1.2 OCC1=CC=CC=C1 C00556 [2,0,0,0,0,0|2,0,0]=4 81 B8R1.2 OCC1=CC=CC=C1 C03485 [2,0,0,0,0,0|2,0,0]=4 82 B8R1.2 ONC1=CC=CC=C1 C02720 [2,0,0,0,0,0|2,0,0]=4 83 B8R1.3 CC1=CC=C(C)C=C1 C06756 [2,0,0,0,0,0|0,0,0]=2 84 B8R1.3 CC1=CC=C(Cl)C=C1 C14451 [2,0,0,0,0,0|1,0,0]=3 85 B8R1.3 CC1=CC=C(O)C=C1 C01468 [2,0,0,0,0,0|0,0,0]=2 86 B8R1.3 ClC1=CC=C(Cl)C=C1 C07092 [2,0,0,0,0,0|2,0,0]=4 87 B8R1.3 NC1=CC=C(Cl)C=C1 C14450 [2,0,0,0,0,0|2,0,0]=4 88 B8R1.3 NC1=CC=C(F)C=C1 C11014 [2,0,0,0,0,0|2,0,0]=4 89 B8R1.3 NC1=CC=C(N)C=C1 C19499 [2,0,0,0,0,0|2,0,0]=4 90 B8R1.3 NC1=CC=C(O)C=C1 C02372 [2,0,0,0,0,0|1,0,0]=3 91 B8R1.3 O=C1C=CC(=O)C=C1 C00472 [2,0,0,0,0,0|1,0,1]=4 92 B8R1.3 OC1=CC=C(Br)C=C1 C14453 [2,0,0,0,0,0|1,0,0]=3 93 B8R1.3 OC1=CC=C(Cl)C=C1 C02124 [2,0,0,0,0,0|1,0,0]=3 94 B8R1.3 OC1=CC=C(F)C=C1 C16485 [2,0,0,0,0,0|1,0,0]=3 95 B8R1.3 OC1=CC=C(O)C=C1 C00530 [2,0,0,0,0,0|1,0,0]=3 96 B8R1.3 OC1=CC=C(O)N=C1 C01059 [2,0,0,0,0,0|2,0,0]=4 97 B8R1.3 [*]C1=CC=C(N)C=C1 C03084 [2,0,0,0,0,0|2,0,0]=4 98 B8R1.3 [O]C1=CC=C(O)C=C1 C02389 [2,0,0,0,0,0|1,0,0]=3 99 B8R1.5 CC1=C(C)C=CC=C1 C07212 [2,0,0,0,0,0|0,0,0]=2 100 B8R1.5 CC1=C(N)C=CC=C1 C14403 [2,0,0,0,0,0|1,0,0]=3 101 B8R1.5 CC1=CC=CC=C1O C01542 [2,0,0,0,0,0|0,0,0]=2 102 B8R1.5 ClC1=C(Cl)C=CC=C1 C14328 [2,0,0,0,0,0|2,0,0]=4 103 B8R1.5 N=C1C=CC=CC1=O C17500 [2,0,0,0,0,0|1,0,1]=4 104 B8R1.5 NC1=C(F)C=CC=C1 C11010 [2,0,0,0,0,0|2,0,0]=4 105 B8R1.5 NC1=C(N)C=CC=C1 C14402 [2,0,0,0,0,0|2,0,0]=4 106 B8R1.5 NC1=CC=CC=C1O C01987 [2,0,0,0,0,0|1,0,0]=3 107 B8R1.5 O=C1C=CC=CC1=O C02351 [2,0,0,0,0,0|1,0,1]=4 108 B8R1.5 O=C1C=CNC=C1O C03927 [2,0,0,0,0,0|2,0,0]=4 109 B8R1.5 OC1=C(Br)C=CC=C1 C14841 [2,0,0,0,0,0|1,0,0]=3 110 B8R1.5 OC1=C(O)C=CC=C1 C01785 [2,0,0,0,0,0|1,0,0]=3 111 B8R1.5 OC1=CC=CC=C1Cl C14219 [2,0,0,0,0,0|1,0,0]=3 112 B8R1.5 OC1=CC=CC=C1I C01874 [2,0,0,0,0,0|1,0,0]=3 113 B8R1.5 OC1=CC=CC=C1O C00090 [2,0,0,0,0,0|1,0,0]=3 114 B8R1.5 OC1=CC=CC=C1O C15571 [2,0,0,0,0,0|1,0,0]=3 115 B8R1.5 OC1=CC=NC=C1O C02932 [2,0,0,0,0,0|2,0,0]=4 116 B8R1.5 [O]C1=C(O)C=CC=C1 C05060 [2,0,0,0,0,0|1,0,0]=3 117 B8R1.4 CC1=CC(O)=CC=C1 C01467 [2,0,0,0,0,0|1,0,0]=3 118 B8R1.4 CC1=CC=CC(C)=C1 C07208 [2,0,0,0,0,0|0,0,0]=2 119 B8R1.4 ClC1=CC=CC(Cl)=C1 C19397 [2,0,0,0,0,0|2,0,0]=4 120 B8R1.4 NC1=CC(F)=CC=C1 C11013 [2,0,0,0,0,0|2,0,0]=4 121 B8R1.4 NC1=CC(O)=CC=C1 C05058 [2,0,0,0,0,0|2,0,0]=4 122 B8R1.4 NC1=CC=CC(N)=C1 C02454 [2,0,0,0,0,0|2,0,0]=4 123 B8R1.4 OC1=CC=CC(Cl)=C1 C14270 [2,0,0,0,0,0|2,0,0]=4 124 B8R1.4 OC1=CC=CC(O)=C1 C01751 [2,0,0,0,0,0|2,0,0]=4 125 B10R0.46 COC(=O)\C=C(/C)C(=O)OC C05126 [0,1,1,0,0,0|2,0,0]=4 126 B10R1.1 CCCC1=CC=C(O)C=C1 C14311 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.1 C\C=C\C1=CC=C(O)C=C1 C20464 [1,1,0,0,0,0|2,0,0]=4 128 B10R1.1 NCCC1=CC=C(O)C=C1 C00483 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.1 OCCC1=CC=C(O)C=C1 C06044 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.3 CCC1=CC=C(CC)C=C1 C14583 [1,1,0,0,0,0|1,0,0]=3 131 B10R1.3 COC1=CC=C(C=O)C=C1 C10761 [1,1,0,0,0,0|0,0,1]=3 132 B10R1.3 NNC1=CC=C(CO)C=C1 C03994 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C06647 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.13 CC(=O)C1=CC=C(O)C=C1 C10700 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.13 CC(N)C1=CC=C(O)C=C1 C03473 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.13 CC(O)C1=CC=C(O)C=C1 C13638 [1,1,0,0,0,0|2,0,0]=4 137 B10R1.13 CC1=CC=C(C(=O)O)C=C1 C01454 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.13 CC1=CC=C(C(C)C)C=C1 C06575 [1,1,0,0,0,0|1,0,0]=3 139 B10R1.13 CC1=CC=C([N+](=O)[O-])C=C1 C14394 [1,1,0,0,0,0|2,0,0]=4 140 B10R1.13 CN(C)C1=CC=C(N)C=C1 C04203 [1,1,0,0,0,0|2,0,0]=4 141 B10R1.176 COC1=CC(C)=C(N)C=C1 C19376 [1,1,0,0,0,0|1,0,0]=3 142 B10R1.2 CCC1=CC=CC(O)=C1O C06728 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.2 COC1=CC=CC(I)=C1O C12251 [1,1,0,0,0,0|1,0,0]=3 144 B10R1.4 CC1=C(CC#N)C=CC=C1 C02596 [1,1,0,0,0,0|1,0,1]=4 145 B10R1.61 CC1=C(C(=O)O)C=CC=C1 C07215 [1,1,0,0,0,0|2,0,0]=4 146 B10R1.61 CC1=C([N+](=O)[O-])C=CC=C1 C19597 [1,1,0,0,0,0|2,0,0]=4 147 B10R1.22 CC1=C(N)C=C(N)C=C1N C16400 [1,1,0,0,0,0|2,0,0]=4 148 B10R1.22 CC1=C(O)C(O)=CC(Cl)=C1 C03591 [1,1,0,0,0,0|1,0,0]=3 149 B10R1.22 CC1=C(O)C=C(O)C=C1O C16401 [1,1,0,0,0,0|2,0,0]=4 150 B10R1.22 CC1=CC(C)=C(N)C(C)=C1 C19540 [1,1,0,0,0,0|1,0,0]=3 151 B10R1.22 CC1=CC(O)=CC(C)=C1Cl C14715 [1,1,0,0,0,0|2,0,0]=4 152 B10R1.22 CC1=CC(O)=CC(C)=C1N C16570 [1,1,0,0,0,0|2,0,0]=4 153 B10R1.22 CC1=CC(O)=CC(O)=C1O C03338 [1,1,0,0,0,0|1,0,0]=3 154 B10R1.22 OC1=C(Br)C=C(Br)C=C1Br C14454 [1,1,0,0,0,0|2,0,0]=4 155 B10R1.22 OC1=C(Cl)C=C(Cl)C=C1Cl C07098 [1,1,0,0,0,0|2,0,0]=4 156 B10R1.22 OC1=C(O)C(Cl)=CC(Cl)=C1 C02933 [1,1,0,0,0,0|2,0,0]=4 157 B10R1.22 OC1=CC(Br)=C(O)C(Br)=C1 C16248 [1,1,0,0,0,0|2,0,0]=4 158 B10R1.22 OC1=CC(Cl)=C(O)C(Cl)=C1 C07097 [1,1,0,0,0,0|2,0,0]=4 159 B10R1.22 OC1=CC(O)=C(O)C(Cl)=C1 C06328 [1,1,0,0,0,0|2,0,0]=4 160 B10R1.22 OC1=CC(O)=C(O)C(O)=C1 C03743 [1,1,0,0,0,0|2,0,0]=4 161 B10R1.118 CC1=C(O)C=C(O)C(O)=C1 C18317 [1,1,0,0,0,0|1,0,0]=3 162 B10R1.118 CC1=CC(=O)C(O)=CC1=O C18316 [1,1,0,0,0,0|1,0,0]=3 163 B10R1.118 CC1=CC(C)=C(C)C=C1C C14534 [1,1,0,0,0,0|0,0,0]=2 164 B10R1.118 CC1=CC(C)=C(N)C=C1C C19539 [1,1,0,0,0,0|0,0,0]=2 165 B10R1.118 O=C1C=C(Cl)C(=O)C=C1O C21105 [1,1,0,0,0,0|2,0,0]=4 166 B10R1.118 OC1=C(Cl)C=C(Cl)C(Cl)=C1 C07101 [1,1,0,0,0,0|2,0,0]=4 167 B10R1.118 OC1=CC(Cl)=C(O)C=C1Cl C06600 [1,1,0,0,0,0|2,0,0]=4 168 B10R1.118 OC1=CC(O)=C(O)C=C1Cl C07102 [1,1,0,0,0,0|2,0,0]=4 169 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 C02201 [0,2,0,0,0,0|0,0,1]=3 170 B12R1.78 COC1=C(OC)C=C(CO)C=C1 C21420 [0,2,0,0,0,0|0,0,0]=2 171 B12R1.78 COC1=C(OC)C=C(C[O])C=C1 C21421 [0,2,0,0,0,0|0,0,0]=2 172 B12R1.652 COC1=C(C#N)C(=O)N(C)C=C1 C01526 [0,2,0,0,0,0|1,0,1]=4 173 B12R1.1703 COC(=O)C1=CC=C(N)C=C1O C14170 [0,2,0,0,0,0|2,0,0]=4 174 B12R1.452 COC1=CC=C(C(C)=O)C(O)=C1 C10712 [0,2,0,0,0,0|2,0,0]=4 175 B12R1.450 COC1=CC(Cl)=C(OC)C=C1Cl C11252 [0,2,0,0,0,0|1,0,0]=3 176 B12R1.48 COC1=C(N)C=C([N+](=O)[O-])C=C1 C19469 [0,2,0,0,0,0|2,0,0]=4 177 B12R1.48 COC1=C(O)C=C([N+](=O)[O-])C=C1 C17385 [0,2,0,0,0,0|2,0,0]=4 178 B10R2.7 C1=CC=C2OC=CC2=C1 C14512 [1,0,0,1,0,0|0,0,2]=4 179 B12R2.24 OC1=CC=C2CCCCC2=C1 C14309 [0,1,0,1,0,0|2,0,0]=4 180 B12R2.100 OC1=C(O)C=C2NCCC2=C1 C17756 [0,1,0,1,0,0|2,0,0]=4 181 B12R2.44 O=CC1=CC2=C(C=C1)OCO2 C10812 [0,1,0,1,0,0|1,0,1]=4