0 B10R1.20 CCC1=C(NC)C=CC=C1 BB01-3189 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.20 CCC1=CC=CC=C1NN BB01-6356 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.20 CNC1=CC=CC=C1NC BB58-4628 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.20 CNC1=NC=CC=C1C#N BB58-5368 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.20 N#CC1=C(C=O)C=CC=C1 BB57-2099 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.20 NCC1=C(CO)C=CC=C1 BB58-5064 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.15 CC1=C(NN)C=CC=C1 BB01-6215 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.15 CC1=CC=CC=C1CN BB58-0558 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.15 CC1=CC=CN=C1NN BB58-3619 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.15 CCC1=CC=CC=C1S BB01-6055 [1,0,0,0,0,0|1,1,0]=3 10 B9R1.15 COC1=CC=CC=C1S BB01-7834 [1,0,0,0,0,0|0,1,0]=2 11 B9R1.15 COC1=NC=CC=C1N BB01-7941 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.15 N#CC1=C(Cl)C=CC=C1 BB17-1794 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.15 N#CC1=CC=CN=C1O BB01-3125 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.15 NCC1=C(N)C=CC=C1 BB57-0218 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.15 NCC1=CC=CC=C1F BB01-4715 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.15 NNC1=C(F)C=CC=C1 BB01-6116 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.15 NNC1=CC=CC=C1Br BB55-7470 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.15 NNC1=CC=CC=C1Cl BB57-0203 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.15 O=CC1=C(F)C=CC=C1 BB01-6057 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.37 CNC1=C(OC)C=C(Cl)C=C1 BB01-3265 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.37 COC1=C(C=O)C=C(Br)C=C1 BB17-1168 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.37 COC1=CC(O)=CC=C1C=O BB57-0236 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.37 COC1=CC=C(Br)C=C1C=O BB05-0720 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.37 COC1=CC=C(Cl)C=C1C=O BB55-0888 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.37 COC1=CC=C(I)C=C1C=O BB17-2247 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.37 COC1=CC=C(S)C=C1OC BB01-6054 [0,1,0,0,0,0|0,0,0]=1 27 B11R1.37 COC1=NC(C)=CC=C1C#N BB57-6525 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.41 CCC1=C(N=C=S)C=CC=C1 BB01-5155 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.41 CCC1=CC=CC=C1N=C=O BB01-6521 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.41 CCC1=CC=CC=C1N=S=O BB58-0232 [0,1,0,0,0,0|2,1,0]=4 31 B11R1.41 CCOC1=CC=CC=C1CN BB01-5240 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.41 CNCC1=C(OC)C=CC=C1 BB58-0562 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.41 COC1=C(CC#N)C=CC=C1 BB57-4962 [0,1,0,0,0,0|1,0,1]=3 34 B11R1.41 COC1=C(CNN)C=CC=C1 BB57-2293 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.41 COC1=CC=CC=C1N=C=O BB01-4427 [0,1,0,0,0,0|1,0,1]=3 36 B11R1.53 CCC1=CC=CC=C1B(O)O BB55-6183 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.53 CNC1=C(C(=O)O)C=CC=C1 BB17-0631 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.53 CSC1=CC=CC=C1C(=O)O BB57-4640 [0,1,0,0,0,0|2,1,0]=4 39 B11R1.265 COC1=C(C=O)C=CC=C1C BB17-1110 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.265 COC1=C(OC)C(N)=CC=C1 BB53-1261 [0,1,0,0,0,0|0,0,0]=1 41 B11R1.265 COC1=CC=CC(F)=C1C#N BB01-6063 [0,1,0,0,0,0|2,0,0]=3 42 B11R2.1 CC1=CNC2=CC=CC=C12 BB01-6044 [0,0,0,1,0,0|2,0,1]=4 43 B11R2.1 CC1=NNC2=CC=CC=C21 BB57-2499 [0,0,0,1,0,0|3,0,0]=4 44 B11R2.1 CN1N=NC2=CC=CC=C21 BB58-1288 [0,0,0,1,0,0|3,0,0]=4 45 B11R2.1 NC1=NOC2=CC=CC=C21 BB01-4574 [0,0,0,1,0,0|3,0,0]=4 46 B11R2.1 NC1CCC2=C1C=CC=C2 BB01-6422 [0,0,0,1,0,0|3,0,0]=4 47 B11R2.20 C1=CC=C2OCCCC2=C1 BB57-6849 [0,0,0,1,0,0|1,0,0]=2 48 B11R2.20 C1=CC=C2SCCNC2=C1 BB01-2980 [0,0,0,1,0,0|1,1,0]=3 49 B8R1.2 NNC1=CC=CC=C1 BB01-6156 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.5 CC1=C(N)C=NC=C1 BB01-7884 [2,0,0,0,0,0|2,0,0]=4 51 B8R1.5 CC1=CC=CN=C1N BB01-5996 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.5 C[N+]1=C(Cl)C=CC=C1 BB01-2095 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.5 NC1=C(O)C=CC=N1 BB01-4519 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.5 NC1=C(O)C=CN=C1 BB17-0694 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.2 CC1=C(NN)C=CC=C1Cl BB01-8043 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.2 CC1=CC=CC(C=O)=C1O BB17-1049 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.2 CNC1=C(C)C(C)=CC=C1 BB01-3187 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.2 CNC1=C(Cl)C(Cl)=CC=C1 BB01-8189 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.4 C=CCC1=C(O)C=CC=C1 BB01-3409 [1,1,0,0,0,0|1,0,1]=4 60 B10R1.4 CC1=CC=CC=C1N=C=O BB01-6514 [1,1,0,0,0,0|1,0,1]=4 61 B10R1.4 CC1=CC=CC=C1N=S=O BB58-0234 [1,1,0,0,0,0|1,1,0]=4 62 B10R1.4 CCNC1=C(F)C=CC=C1 BB01-8379 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.4 CNCC1=CC=CC=C1C BB55-7028 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.4 O\N=C\C1=CC=CC=C1O BB01-2228 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.25 CC1=CC(C)=C(NN)C=C1 BB01-8042 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.25 CC1=CC(O)=C(C=O)C=C1 BB17-2248 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.25 CNC1=C(C)C=C(C)C=C1 BB01-3223 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.25 COC1=C(Br)C=C(Br)C=C1 BB17-0585 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.25 COC1=C(F)C=C(N)C=C1 BB01-8291 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.25 COC1=C(N)C=C(C)C=C1 BB17-1892 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.25 COC1=C(O)C=C(O)C=C1 BB55-7332 [1,1,0,0,0,0|0,0,0]=2 72 B10R1.25 COC1=CC=C(Cl)C=C1Br BB01-7948 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.30 CC1=CC(C=O)=C(O)C=C1 BB17-2229 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.30 CC1=CC(CCl)=C(C)C=C1 BB57-0206 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.30 CC1=CC(CN)=C(C)C=C1 BB01-6340 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.30 CC1=CC=C(C)C(NN)=C1 BB01-4787 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.30 COC1=C(N)C=CC(Br)=C1 BB17-0541 [1,1,0,0,0,0|1,0,0]=3 78 B10R1.30 N#CC1=CC(N)=CC=C1O BB57-7141 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.30 O=CC1=C(O)C=CC(Cl)=C1 BB17-1583 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.61 CC(O)C1=CC=CC=C1N BB57-7132 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.61 CC1=C(B(O)O)C=CC=C1 BB01-0929 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.61 CC1=CC=CN=C1C(C)N BB58-3601 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.245 CNC1=C(C)C=CC=C1C BB01-8191 [1,1,0,0,0,0|1,0,0]=3 84 B12R1.46 COC1=C(B(O)O)C=C(F)C=C1 BB01-0932 [0,2,0,0,0,0|2,0,0]=4 85 B12R1.46 COC1=C(C(=O)O)C=C(Br)C=C1 BB57-4580 [0,2,0,0,0,0|2,0,0]=4 86 B12R1.46 COC1=C([N+](=O)[O-])C=C(Br)C=C1 BB01-2836 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=C1 BB01-8306 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.78 COC1=C(CCl)C=C(C=O)C=C1 BB55-0046 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 BB17-1793 [0,2,0,0,0,0|0,0,0]=2 90 B12R1.78 COC1=C(OC)C=C(CN)C=C1 BB17-1113 [0,2,0,0,0,0|0,0,0]=2 91 B12R1.78 COC1=CC(CN)=C(OC)C=C1 BB55-3606 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.78 COC1=CC(OC)=C(C=O)C=C1 BB01-6047 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.78 COC1=CC=C(C=O)C=C1CO BB57-7157 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.112 CCOC1=CC=C(Br)C=C1C=O BB05-0721 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.112 CCOC1=CC=C(Br)C=C1C=O BB55-0901 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.112 CCOC1=CC=C(Cl)C=C1C=O BB55-0889 [0,2,0,0,0,0|2,0,0]=4 97 B12R1.234 COC1=C(Cl)C=C(Cl)C=C1C=O BB57-6380 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.268 COC1=C(N=C=S)C=C(C)C=C1 BB01-6623 [0,2,0,0,0,0|1,0,1]=4 99 B12R1.268 COC1=CC=C(C)C=C1N=C=O BB01-6526 [0,2,0,0,0,0|1,0,1]=4 100 B12R1.268 COC1=CC=C(Cl)C=C1N=C=O BB01-6509 [0,2,0,0,0,0|1,0,1]=4 101 B12R1.75 CC(C)OC1=CC=CC=C1C=O BB01-4050 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.77 COC(=O)C1=C(SC)C=CC=C1 BB57-5352 [0,2,0,0,0,0|0,1,0]=3 103 B12R1.77 COC1=C(C(=O)NN)C=CC=C1 BB01-6504 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.121 C=CCOC1=CC=CC=C1C=O BB55-2877 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.121 COC1=CC=CC=C1OCCN BB01-4690 [0,2,0,0,0,0|0,0,0]=2 106 B12R1.121 N#CCOC1=CC=CC=C1C=O BB05-0743 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.121 N#CCOC1=CC=CC=C1C=O BB57-6941 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.121 O=CC1=C(OCCBr)C=CC=C1 BB58-4764 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.169 CCOC1=CC=CC=C1N=C=O BB01-4423 [0,2,0,0,0,0|1,0,1]=4 110 B12R1.283 CCOC1=C(B(O)O)C=CC=C1 BB01-0948 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.283 CCOC1=CC=CC=C1C(C)=O BB55-2313 [0,2,0,0,0,0|1,0,0]=3 112 B12R1.1879 COC1=CC=CC(C=O)=C1OC BB01-6046 [0,2,0,0,0,0|0,0,0]=2 113 B12R1.1879 COC1=CC=CC(CN)=C1OC BB57-0156 [0,2,0,0,0,0|0,0,0]=2 114 B12R2.24 CC1=CC2=C(C=C1)NCCC2 BB01-7930 [0,1,0,1,0,0|2,0,0]=4 115 B12R2.24 CC1CCC2=CC=CC=C2N1 BB57-6640 [0,1,0,1,0,0|2,0,0]=4 116 B12R2.24 NC1=CC2=C(C=C1)OCCO2 BB01-5961 [0,1,0,1,0,0|0,0,0]=2 117 B12R2.24 O=C1COC2=CC=CC=C2N1 BB01-3566 [0,1,0,1,0,0|1,0,1]=4 118 B12R2.132 O=C1COC2=C1C=C(F)C=C2 BB32-3028 [0,1,0,1,0,0|2,0,0]=4 119 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 BB01-8134 [0,1,0,1,0,0|2,0,0]=4 120 B12R2.1081 CN1CCNC2=CC=CC=C21 BB58-4942 [0,1,0,1,0,0|2,0,0]=4 121 B12R2.1081 NC1CCCC2=C1C=CC=C2 BB01-4475 [0,1,0,1,0,0|2,0,0]=4 122 B12R2.1081 O=C1CCSC2=C1C=CC=C2 BB01-5930 [0,1,0,1,0,0|1,1,0]=4