0 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 BB32-3124 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.78 COC1=C(C#N)C=CC(C=O)=C1 BB32-1172 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.78 COC1=C(OC)C=C(NN)C=C1 BB31-5061 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.37 COC1=C(CN)C=C(Cl)C=C1 BB32-2047 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.37 COC1=C(NN)C=CC(Cl)=C1 BB32-0755 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.37 COC1=C(OC)N=C(Cl)N=C1 BB32-0312 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.37 COC1=C(OC)N=C(I)C=C1 BB32-1693 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.37 COC1=CC(Cl)=NN=C1OC BB31-4150 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.279 CC1=C(C#N)C=CC(C=O)=C1 BB31-4451 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.279 COC1=C(Br)C=C(C=O)C=N1 BB32-3818 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.279 COC1=C(C)C=C(CN)C=C1 BB31-8268 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.279 COC1=C(Cl)C=C(C=O)C=N1 BB31-1956 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.279 COC1=C(F)C=C(C=O)C=N1 BB31-8545 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.279 COC1=C(N)C=C(CO)C=C1 BB31-0379 [1,0,0,0,0,0|1,0,2]=4 14 B11R1.279 N#CC1=C(Cl)C=C(C=O)C=C1 BB31-0169 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.280 C=CC1=CC(OC)=C(F)C=C1 BB32-3523 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.280 COC1=C(Cl)C=CC(C#N)=C1 BB31-3965 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.280 COC1=C(I)C=CC(C=O)=C1 BB32-0470 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.280 COC1=CC(OC)=C(S)C=C1 BB31-4068 [1,0,0,0,0,0|2,1,0]=4 19 B11R1.280 N#CC1=C(Cl)C=CC(C=O)=C1 BB31-1526 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.280 N#CC1=C(O)C=CC(C=O)=C1 BB31-7068 [1,0,0,0,0,0|2,0,0]=3 21 B13R1.1249 CCOC1=C(OC)C=C(CO)C=C1 BB31-5928 [0,1,0,0,0,0|0,0,2]=3 22 B13R1.2422 COC1=C(OC)C(O)=C(C=O)C=C1 BB31-4031 [0,1,0,0,0,0|0,0,0]=1 23 B13R1.3091 C#CC1=C(OC)C=C([N+](=O)[O-])C=C1 BB31-0360 [0,1,0,0,0,0|2,0,1]=4 24 B13R1.3091 COC1=C(C#N)C=CC(C(=O)O)=C1 BB31-0312 [0,1,0,0,0,0|2,0,0]=3 25 B13R1.3091 COC1=C(CO)C=C([N+](=O)[O-])C=C1 BB32-3407 [0,1,0,0,0,0|3,0,0]=4 26 B13R1.3091 COC1=C(CO)C=CC([N+](=O)[O-])=C1 BB31-2017 [0,1,0,0,0,0|3,0,0]=4 27 B13R1.3091 COC1=C(OC)C=C(C(=N)N)C=C1 BB32-2307 [0,1,0,0,0,0|1,0,0]=2 28 B13R1.3091 COC1=C(OC)N=C(C(=O)O)C=C1 BB32-1852 [0,1,0,0,0,0|1,0,0]=2 29 B13R2.57 NCC1=CC2=C(C=C1)OCCO2 BB31-3420 [0,0,0,1,0,0|1,0,1]=3 30 B13R2.57 O=CC1=CC2=C(C=C1)CCCC2 BB32-2434 [0,0,0,1,0,0|2,0,0]=3 31 B13R2.57 O=CC1=NC2=C(C=C1)OCCO2 BB32-3120 [0,0,0,1,0,0|1,0,0]=2 32 B13R2.669 CN1C=CC2=CC=C(C=O)C=C21 BB52-5958 [0,0,0,1,0,0|2,0,1]=4 33 B13R2.2130 CN1C=CC2=CC(C=O)=CC=C21 BB52-5960 [0,0,0,1,0,0|2,0,1]=4 34 B13R2.2130 CN1N=NC2=C1C=CC(C=O)=C2 BB32-2426 [0,0,0,1,0,0|3,0,0]=4 35 B10R1.25 COC1=C(F)C=C(S)C=C1 BB31-6341 [2,0,0,0,0,0|1,1,0]=4 36 B10R1.25 COC1=CN=C(Br)C=C1O BB31-7686 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.25 COC1=NC=C(Br)C=C1O BB31-9713 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.30 CCC1=C(O)C=CC(Br)=C1 BB31-3966 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.30 COC1=C(C)C=CC(I)=C1 BB32-1094 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.30 COC1=C(C)C=CC(O)=C1 BB31-4015 [2,0,0,0,0,0|0,0,1]=3 41 B10R1.30 COC1=C(I)C=CC(C)=C1 BB31-7787 [2,0,0,0,0,0|1,0,1]=4 42 B10R1.30 COC1=C(I)C=CC(N)=C1 BB31-9407 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.30 COC1=C(N)C=CC(O)=C1 BB31-5893 [2,0,0,0,0,0|1,0,1]=4 44 B10R1.30 COC1=C(N)C=CC(O)=C1 BB31-5894 [2,0,0,0,0,0|1,0,1]=4 45 B10R1.30 COC1=CC(Br)=CN=C1C BB31-0618 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.176 CC1=C(Br)C=CC(C=O)=N1 BB31-2097 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.176 CC1=CC(C=O)=CN=C1Br BB31-6416 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.176 CCC1=CC(C)=C(C)C=C1 BB31-7435 [2,0,0,0,0,0|1,0,1]=4 49 B10R1.176 COC1=CC(O)=C(O)C=C1 BB32-1848 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.176 OCC1=CC(O)=C(O)C=C1 BB31-5748 [2,0,0,0,0,0|0,0,2]=4 51 B10R1.172 CSC1=CC(C=O)=CC=C1 BB31-7190 [2,0,0,0,0,0|0,1,0]=3 52 B10R1.172 O=CC1=CC(CO)=CC=C1 BB32-2221 [2,0,0,0,0,0|2,0,0]=4 53 B12R1.46 COC1=C(C(C)C)C=C(C)C=C1 BB31-8018 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.46 COC1=C(C(C)C)C=C(N)C=C1 BB31-7417 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.46 COC1=C(C(C)N)C=C(Cl)C=C1 BB32-2037 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.57 COC1=C([C@@H](C)N)C=CC(F)=C1 BB32-0149 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.448 COC1=C(OC)C=C(N)C(N)=C1 BB31-4466 [1,1,0,0,0,0|1,0,0]=3 58 B12R1.448 COC1=C(OC)N=C(Br)C(C)=C1 BB32-3531 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.48 COC1=C(O)C=C(B(O)O)C=C1 BB32-3273 [1,1,0,0,0,0|1,0,1]=4 60 B12R1.48 O=CC1=C(O)C=C(C(=O)O)C=C1 BB31-5934 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.452 CC1=C(C(=O)O)C=CC(C=O)=C1 BB32-2768 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.452 CC1=C(N(C)C)C=CC(C=O)=C1 BB31-8346 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.653 COC1=C(C)C(C)=C(OC)C=C1 BB32-1924 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.653 COC1=CC=C(C=O)C(Cl)=C1Cl BB32-1928 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.56 C#CC1=C(C)C=CC(C(=O)O)=C1 BB31-9183 [1,1,0,0,0,0|1,0,1]=4 66 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 BB31-3596 [1,1,0,0,0,0|1,0,1]=4 67 B12R1.56 COC1=C(O)C=CC(C(C)O)=C1 BB31-4303 [1,1,0,0,0,0|0,0,2]=4 68 B12R1.300 COC1=CC(C=O)=CC(F)=C1O BB31-5165 [1,1,0,0,0,0|0,0,0]=2 69 B12R1.449 COC1=C(Br)C=C(O)C(C=O)=C1 BB31-5908 [1,1,0,0,0,0|1,0,0]=3 70 B12R1.449 COC1=C(F)C=C(F)C(C=O)=C1 BB31-3633 [1,1,0,0,0,0|1,0,0]=3 71 B14R1.441 CCOC1=C(OC)C=CC(C(N)=O)=C1 BB32-1024 [0,2,0,0,0,0|0,0,0]=2 72 B14R1.5317 CCOC1=CC(C#N)=CC(Br)=C1OC BB31-5771 [0,2,0,0,0,0|1,0,1]=4 73 B14R1.6787 CCOC1=C(OC)C=CC(\C=N\O)=C1 BB32-0409 [0,2,0,0,0,0|0,0,1]=3 74 B14R1.1864 COC(=O)C1=CC(C=O)=C(OC)C=C1 BB31-2561 [0,2,0,0,0,0|2,0,0]=4 75 B14R1.1864 COC1=C(OC)C=C([C@@H](N)CO)C=C1 BB31-9387 [0,2,0,0,0,0|0,0,2]=4 76 B14R1.1851 COC1=CC(C)=C(C(=O)O)C=C1OC BB31-4096 [0,2,0,0,0,0|0,0,0]=2 77 B14R1.1851 COC1=CC(F)=C(C(=O)O)C=C1OC BB31-6879 [0,2,0,0,0,0|0,0,0]=2 78 B14R1.2282 CCC1=CC(OC)=C(C=O)C=C1OC BB32-2463 [0,2,0,0,0,0|1,0,0]=3 79 B14R1.2282 COC1=CC(OC)=C(OC)C=C1OC BB31-7583 [0,2,0,0,0,0|2,0,0]=4 80 B14R1.2288 COC1=C([N+](=O)[O-])C=C(C=O)C(O)=C1 BB32-3852 [0,2,0,0,0,0|2,0,0]=4 81 B14R1.2023 COC1=C(OC)C(N)=C(C(=O)O)C=C1 BB32-3437 [0,2,0,0,0,0|0,0,0]=2 82 B14R1.2023 COC1=C(OC)C(N)=C(C(C)=O)C=C1 BB32-2741 [0,2,0,0,0,0|0,0,0]=2 83 B14R1.2023 COC1=CC=C(C(=O)O)C(Br)=C1OC BB31-7106 [0,2,0,0,0,0|0,0,0]=2 84 B14R1.3720 COC1=C(S(N)(=O)=O)C=C(C=O)C=C1 BB31-8954 [0,2,0,0,0,0|1,1,0]=4 85 B12R1.24 COC(=O)C1=CC=CC(=O)N1C BB31-4112 [0,0,1,1,0,0|2,0,0]=4 86 B12R2.24 BrC1=CC2=C(C=C1)CCCO2 BB31-5223 [1,0,0,1,0,0|2,0,0]=4 87 B12R2.24 BrC1=CC=C2OCCNC2=C1 BB51-1687 [1,0,0,1,0,0|2,0,0]=4 88 B12R2.24 CC1=CC2=C(C=C1)NCCO2 BB32-3795 [1,0,0,1,0,0|1,0,1]=4 89 B12R2.24 CC1=CC2=C(C=C1)OCCN2 BB31-6981 [1,0,0,1,0,0|1,0,1]=4 90 B12R2.24 CC1=CC=C2OCCNC2=C1 BB51-1683 [1,0,0,1,0,0|1,0,1]=4 91 B12R2.24 ClC1=CC2=C(C=C1)OCCN2 BB31-7329 [1,0,0,1,0,0|2,0,0]=4 92 B12R2.24 OC1=CC2=C(C=C1)NCCO2 BB31-9145 [1,0,0,1,0,0|1,0,1]=4 93 B12R2.24 OC1=CC2=C(C=C1)OCCC2 BB31-6047 [1,0,0,1,0,0|1,0,1]=4 94 B12R2.44 C#CC1=CC2=C(C=C1)OCO2 BB32-3332 [1,0,0,1,0,0|1,0,1]=4 95 B12R2.44 O=CC1=CC2=C(C=C1)CCC2 BB31-8032 [1,0,0,1,0,0|1,0,0]=3 96 B12R2.44 O=CC1=CC2=C(C=C1)N=CO2 BB31-6626 [1,0,0,1,0,0|1,0,1]=4 97 B14R2.1801 CN1CCCC2=CC(C=O)=CC=C21 BB52-7761 [0,1,0,1,0,0|2,0,0]=4 98 B14R2.1801 CN1CCOC2=C1C=CC(C=O)=C2 BB31-2662 [0,1,0,1,0,0|1,0,0]=3 99 B14R2.1815 CC1=NC2=C(C=CC(C=O)=C2)N1C BB32-2794 [0,1,0,1,0,0|2,0,0]=4 100 B14R2.82 COC1=C(OC)C=C2NN=CC2=C1 BB31-6900 [0,1,0,1,0,0|1,0,0]=3 101 B14R2.82 COC1=CC2=C(C=C1OC)SC=C2 BB31-7422 [0,1,0,1,0,0|0,1,0]=3 102 B14R2.1101 C#CC1=CC2=C(OCO2)C(OC)=C1 BB54-5251 [0,1,0,1,0,0|1,0,1]=4 103 B14R2.1101 COC1=C2OCOC2=CC(C#N)=C1 BB54-4016 [0,1,0,1,0,0|1,0,1]=4 104 B14R2.781 O=C(O)C1=CC2=C(C=C1)CCCO2 BB32-2723 [0,1,0,1,0,0|1,0,0]=3 105 B14R2.781 O=C(O)C1=CC2=C(C=C1)NCCC2 BB31-1131 [0,1,0,1,0,0|2,0,0]=4 106 B14R2.781 O=C(O)C1=CC2=C(C=C1)OCCO2 BB52-1788 [0,1,0,1,0,0|0,0,0]=2 107 B12R1.1879 C=CC1=C(OC)C(OC)=NC=C1 BB31-7376 [0,0,0,0,1,1|1,0,0]=3