0 B11R1.280 COC1=C(C)C=CC(CO)=C1 BB32-2628 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.280 COC1=C(O)C=CC(C#N)=C1 BB05-0505 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.280 COC1=C(O)C=CC(CO)=C1 BB17-0749 [0,0,0,0,0,0|0,0,0]=0 3 B11R1.280 O=CC1=C(O)C=CC(CCl)=C1 BB57-7172 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.280 O=CC1=CC(CO)=CC=C1O BB55-7415 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.30 CC1=CC=C(C)C(NN)=C1 BB56-2533 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.30 CC1=CC=C(F)C(NN)=C1 BB56-2743 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.30 CC1=CC=C(O)C(CO)=N1 BB12-2201 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.30 CCC1=C(N)C=CC(I)=C1 BB17-0313 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.30 CCC1=C(O)C=CC(C)=N1 BB57-2944 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.30 CNC1=C(C)C=CC(Cl)=C1 BB01-7292 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.30 CNC1=C(Cl)C=CC(F)=C1 BB01-7287 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.30 O=CC1=C(Cl)C=CC(O)=C1 BB55-8692 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.30 O=CC1=C(O)C=CC(Br)=C1 BB17-1585 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.30 O=CC1=CC(I)=CC=C1O BB12-2260 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.172 COC1=CC(NN)=CC=C1 BB01-6124 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.172 COC1=NC(CO)=CC=N1 BB32-1574 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.172 NCC1=CC(CO)=CC=C1 BB57-3669 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.176 CC1=C(Br)C=CC(CN)=C1 BB31-2860 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.176 CC1=CC(NN)=CC=C1Br BB56-0331 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.176 CC1=CC=C(NN)C=C1C BB56-2531 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.176 CCC1=CC(N)=C(O)C=C1 BB55-4801 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.176 CCC1=CC=C(O)C(N)=C1 BB05-4230 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.176 CNC1=CC(C)=C(C)C=C1 BB01-8187 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.176 COC1=CC(N)=C(O)C=C1 BB54-1501 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.176 N#CC1=CC(N)=C(O)C=C1 BB57-6685 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.176 O=C1C=C(CCl)OC=C1O BB26-0808 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.176 O=CC1=CC(I)=C(O)C=C1 BB17-2246 [1,0,0,0,0,0|1,0,2]=4 28 B10R1.176 OCC1=CC(Br)=C(O)C=C1 BB55-8702 [1,0,0,0,0,0|1,0,0]=2 29 B10R1.176 [C-]#[N+]C1=CC=C(C)C(C)=C1 BB56-1194 [1,0,0,0,0,0|3,0,0]=4 30 B12R1.56 CCC1=CC(C(=O)O)=CC=C1F BB58-4734 [0,1,0,0,0,0|2,0,1]=4 31 B12R1.56 CNC1=CC(C(=O)O)=CC=C1O BB57-6482 [0,1,0,0,0,0|1,0,1]=3 32 B12R1.56 COC1=C(I)C=CC([N+](=O)[O-])=C1 BB12-4663 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.56 NCC1=C(O)C=CC(C(=O)O)=C1 BB57-4979 [0,1,0,0,0,0|2,0,1]=4 34 B12R1.78 CCC1=C(OC)C=CC(OC)=C1 BB54-3376 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.78 [C-]#[N+]C1=C(OC)C=C(OC)C=C1 BB56-1820 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.270 CCOC1=C(O)C=CC(C#N)=C1 BB05-0511 [0,1,0,0,0,0|1,0,1]=3 37 B12R1.270 CCOC1=C(O)C=CC(CN)=C1 BB54-4742 [0,1,0,0,0,0|1,0,0]=2 38 B12R1.286 CCOC1=CC(C=O)=C(O)C=C1 BB17-1060 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.286 CCOC1=CC(CO)=C(O)C=C1 BB17-1059 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.300 C(=O)C1=CC(OC)=C(O)C(Br)=C1 BB12-2858 [0,1,0,0,0,0|0,0,2]=3 41 B12R1.300 COC1=C(O)C(Cl)=CC(C=O)=C1 BB54-0100 [0,1,0,0,0,0|0,0,2]=3 42 B12R1.300 COC1=C(O)C(I)=CC(C#N)=C1 BB05-0510 [0,1,0,0,0,0|1,0,1]=3 43 B12R1.300 COC1=CC(C#N)=CC(Br)=C1O BB55-4305 [0,1,0,0,0,0|1,0,1]=3 44 B12R1.300 COC1=CC(C#N)=CC(N)=C1O BB54-5593 [0,1,0,0,0,0|1,0,1]=3 45 B12R1.300 COC1=CC(C=O)=CC(O)=C1O BB54-5279 [0,1,0,0,0,0|0,0,2]=3 46 B12R1.449 COC1=C(O)C=C(Br)C(C=O)=C1 BB05-0508 [0,1,0,0,0,0|0,0,2]=3 47 B12R1.449 COC1=C(O)C=C(Cl)C(C=O)=C1 BB17-1452 [0,1,0,0,0,0|0,0,2]=3 48 B12R1.449 COC1=CC(C=O)=C(Br)C=C1O BB55-0972 [0,1,0,0,0,0|0,0,2]=3 49 B12R1.449 COC1=CC(C=O)=C(O)C=C1O BB57-5979 [0,1,0,0,0,0|0,0,2]=3 50 B12R2.44 ClCC1=CC2=C(C=C1)OCO2 BB01-4892 [0,0,0,1,0,0|1,0,0]=2 51 B12R2.44 NCC1=CC=C2NCCC2=C1 BB55-7116 [0,0,0,1,0,0|3,0,0]=4 52 B10R1.257 CCC1=C(C)SC=C1CO BB01-6783 [0,0,0,0,1,0|3,0,0]=4 53 B9R1.2 C=CC1=CC(O)=CC=C1 BB58-0330 [2,0,0,0,0,0|1,0,1]=4 54 B9R1.2 CC1=CC(NN)=CC=C1 BB56-2532 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.2 CC1=CC=CC(CN)=N1 BB58-1073 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.2 CNC1=CC(C)=CC=C1 BB01-7304 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.2 CNC1=CC(F)=CC=C1 BB01-7291 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.2 N#CC1=CC(O)=CC=C1 BB20-4617 [2,0,0,0,0,0|1,0,1]=4 59 B9R1.2 NCC1=CC=CC(Cl)=C1 BB01-4636 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.2 OCC1=CC(Cl)=NC=C1 BB57-3750 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.2 OCC1=NC(O)=CC=C1 BB57-1045 [2,0,0,0,0,0|1,0,0]=3 62 B9R1.15 CNC1=C(C)C=CC=C1 BB01-7286 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.15 CNC1=CC=CC=C1N BB12-2750 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.15 COC1=C(N)C=NC=C1 BB54-5707 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.15 COC1=CC=CN=C1C BB17-0165 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.69 CC1=C(O)N=CC(Br)=C1 BB54-2170 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.69 CC1=CC(=O)C(O)=CN1 BB26-0805 [2,0,0,0,0,0|1,0,1]=4 68 B9R1.69 CC1=CC(=O)C(O)=CO1 BB26-0385 [2,0,0,0,0,0|1,0,1]=4 69 B9R1.69 CC1=CC=C(N)C(N)=C1 BB56-0557 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.69 CC1=CC=C(N)C(S)=C1 BB17-0861 [2,0,0,0,0,0|1,1,0]=4 71 B9R1.69 CC1=CC=C(O)C(Br)=N1 BB57-4115 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.69 CC1=CC=C(O)C(N)=N1 BB12-2896 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.69 CC1=NC(C)=C(N)C=C1 BB54-2202 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.69 CC1=NC(C)=C(O)C=C1 BB54-5298 [2,0,0,0,0,0|1,0,0]=3 75 B9R1.69 NC1=CC(Br)=CC=C1O BB54-0054 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.69 NC1=CC(I)=C(O)C=C1 BB57-4918 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.69 NC1=CC=C(F)C=C1O BB12-2894 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.69 OC1=CC=C(F)C(Cl)=C1 BB12-4695 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.1 CC1=CC=C(CO)C=N1 BB58-3092 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.1 NCC1=CC=C(N)C=C1 BB54-2061 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.1 NCC1=CC=C(O)C=C1 BB12-1603 [2,0,0,0,0,0|1,0,0]=3 82 B9R1.1 OCC1=CC=C(O)N=C1 BB57-1801 [2,0,0,0,0,0|1,0,0]=3 83 B9R1.1 OCC1=CN=C(Br)C=C1 BB20-4932 [2,0,0,0,0,0|2,0,0]=4 84 B11R1.8 CC1=CC(C=O)=C(O)C(Br)=C1 BB17-1086 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.8 COC1=C(O)C(Br)=CC(Br)=C1 BB17-1853 [1,1,0,0,0,0|1,0,0]=3 86 B11R1.37 COC1=C(C=O)C=C(O)C=C1 BB57-5890 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.37 COC1=C(OC)C=C(I)C=C1 BB12-5007 [1,1,0,0,0,0|1,0,0]=3 88 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 BB53-1900 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.167 CC(=O)C1=CC(F)=CC=C1O BB01-7439 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.167 CC(O)C1=C(O)C=CC(Br)=C1 BB53-1844 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.167 CC1=CC([N+](=O)[O-])=C(O)C=C1 BB01-7555 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.167 CC1=CC=C(C)C(C(C)N)=C1 BB55-1055 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.182 CCNC1=C(O)C=CC(C)=C1 BB57-5463 [1,1,0,0,0,0|1,0,0]=3 94 B11R1.182 CCNC1=CC(C)=CC=C1C BB01-7293 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.277 COC1=CC(Br)=C(N)C=C1F BB01-7069 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.189 CCNC1=CC=CC(OC)=C1 BB32-1922 [1,1,0,0,0,0|1,0,0]=3 97 B11R1.189 COC1=CC(CNN)=CC=C1 BB55-6524 [1,1,0,0,0,0|1,0,0]=3 98 B11R1.189 COC1=CC=CC(CCN)=C1 BB12-0768 [1,1,0,0,0,0|1,0,0]=3 99 B11R1.266 COC1=CC(C(C)N)=CC=C1 BB05-0763 [1,1,0,0,0,0|1,0,0]=3 100 B11R1.266 O=C(O)C1=CC(CO)=CC=C1 BB57-2446 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.267 CCC1=CC=CC(CC)=C1O BB12-1897 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.14 CC1=CC(CO)=CC(C)=C1O BB55-8695 [1,1,0,0,0,0|0,0,0]=2 103 B11R1.14 CCC1=CC(N)=C(O)C(Br)=C1 BB17-0378 [1,1,0,0,0,0|2,0,0]=4 104 B11R1.21 CC(C)C1=CC(N)=C(O)C=C1 BB54-1921 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.21 CC(N)C1=CC(F)=C(O)C=C1 BB53-1533 [1,1,0,0,0,0|2,0,0]=4 106 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 BB05-4777 [1,1,0,0,0,0|2,0,0]=4 107 B11R1.192 CCNC1=CC(C)=C(C)C=C1 BB01-5258 [1,1,0,0,0,0|2,0,0]=4 108 B11R1.279 COC1=C(O)C=C(CN)C=C1 BB54-0027 [1,1,0,0,0,0|1,0,0]=3 109 B11R1.279 COC1=CC=C(C#N)C=C1O BB54-1520 [1,1,0,0,0,0|1,0,1]=4 110 B11R1.279 COC1=CNC(CO)=CC1=O BB26-0375 [1,1,0,0,0,0|1,0,1]=4 111 B11R1.279 COC1=COC(CO)=CC1=O BB26-0372 [1,1,0,0,0,0|1,0,1]=4 112 B11R1.279 COC1=COC(CO)=CC1=O BB58-0116 [1,1,0,0,0,0|1,0,1]=4 113 B13R1.298 COC1=C(O)C(N)=CC(C(=O)O)=C1 BB54-5524 [0,2,0,0,0,0|0,0,1]=3 114 B13R1.354 CCCC1=C(O)C=CC(C(=O)O)=C1 BB57-5840 [0,2,0,0,0,0|1,0,1]=4 115 B13R1.355 CCOC1=C(OC)C=CC(CN)=C1 BB54-4757 [0,2,0,0,0,0|1,0,0]=3 116 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 BB12-2718 [0,2,0,0,0,0|1,0,0]=3 117 B13R1.434 COC1=C(OC)C(Br)=CC(C=O)=C1 BB55-0971 [0,2,0,0,0,0|0,0,2]=4 118 B13R1.434 COC1=C(OC)C(O)=CC(C=O)=C1 BB58-2901 [0,2,0,0,0,0|0,0,2]=4 119 B13R1.1249 CCOC1=C(OC)C=C(CN)C=C1 BB01-6610 [0,2,0,0,0,0|1,0,0]=3 120 B13R1.1249 COC1=CC(OC)=C(CCO)C=C1 BB31-7699 [0,2,0,0,0,0|2,0,0]=4 121 B13R1.2200 COC1=C(OC)C=C(C=O)C(Cl)=C1 BB17-2298 [0,2,0,0,0,0|0,0,2]=4 122 B13R1.2200 COC1=C(OC)C=C(CCl)C(Br)=C1 BB58-1708 [0,2,0,0,0,0|1,0,0]=3 123 B13R1.2200 COC1=CC(N)=C(C#N)C=C1OC BB54-1282 [0,2,0,0,0,0|1,0,1]=4 124 B13R1.2430 COC1=CC=C(CO)C=C1[N+](=O)[O-] BB12-2232 [0,2,0,0,0,0|2,0,0]=4 125 B13R1.2430 COC1=CC=C(CO)C=C1[N+](=O)[O-] BB55-7810 [0,2,0,0,0,0|2,0,0]=4 126 B13R1.2900 CCOC1=C(O)C=C(Br)C(C#N)=C1 BB05-0514 [0,2,0,0,0,0|1,0,1]=4 127 B13R1.2900 CCOC1=C(O)C=C(Br)C(C=O)=C1 BB05-0513 [0,2,0,0,0,0|0,0,2]=4 128 B13R1.2900 CCOC1=CC(C=O)=C(Br)C=C1O BB55-0973 [0,2,0,0,0,0|0,0,2]=4 129 B13R1.3981 CCOC1=CC(C=O)=CC(Br)=C1O BB54-0278 [0,2,0,0,0,0|0,0,2]=4 130 B13R1.4030 COC1=CC(\C=N\O)=CC(N)=C1O BB54-5615 [0,2,0,0,0,0|0,0,1]=3 131 B13R1.433 COC1=C(O)C(CCl)=CC(C=O)=C1 BB57-7170 [0,2,0,0,0,0|0,0,2]=4 132 B11R1.44 COC(=O)C1=CC=C(CCl)O1 BB12-3464 [0,0,1,1,0,0|2,0,0]=4 133 B11R1.44 COC(=O)C1=CC=C(CN)O1 BB58-1058 [0,0,1,1,0,0|2,0,0]=4 134 B11R1.44 COC(=O)C1=CC=C(CO)O1 BB55-3456 [0,0,1,1,0,0|1,0,0]=3 135 B11R2.36 BrC1=CC2=C(C=C1)CCO2 BB31-4067 [1,0,0,1,0,0|2,0,0]=4 136 B11R2.36 OC1=CC2=C(C=C1)N=CO2 BB54-5551 [1,0,0,1,0,0|1,0,1]=4 137 B13R2.430 CC(N)C1=CC2=C(C=C1)OCO2 BB55-0011 [0,1,0,1,0,0|1,0,0]=3 138 B13R2.57 C(=O)C1=CC2=C(C=C1)OCCO2 BB54-4268 [0,1,0,1,0,0|0,0,2]=4 139 B13R2.57 CNC1=CC2=C(C=C1)OCCO2 BB58-4735 [0,1,0,1,0,0|2,0,0]=4 140 B13R2.57 N#CC1=CC=C2OCCOC2=C1 BB54-4462 [0,1,0,1,0,0|1,0,1]=4 141 B13R2.57 NNC1=CC=C2OCCOC2=C1 BB56-0053 [0,1,0,1,0,0|2,0,0]=4 142 B13R2.449 O=C=NC1=CC=C2OCOC2=C1 BB12-2205 [0,1,0,1,0,0|0,0,2]=4 143 B13R2.599 COC1=CC2=C(C=C1N)OCO2 BB54-3058 [0,1,0,1,0,0|1,0,0]=3 144 B13R2.599 N#CC1=C(N)C=C2OCOC2=C1 BB54-1191 [0,1,0,1,0,0|1,0,1]=4 145 B13R2.599 NCC1=CC2=C(C=C1Br)OCO2 BB54-4884 [0,1,0,1,0,0|1,0,0]=3 146 B13R2.599 O=CC1=CC2=C(C=C1Br)OCO2 BB54-0101 [0,1,0,1,0,0|0,0,2]=4 147 B13R2.654 O=CC1=CC2=C(OCO2)C(Br)=C1 BB58-0636 [0,1,0,1,0,0|0,0,2]=4 148 B9R1.21 COC1=NC=C(CO)S1 BB55-8399 [1,0,0,0,1,0|2,0,0]=4