0 B11R1.41 CCC1=C(N=[N+]=[N-])C=CC=C1 BBS-00018821 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.41 COC1=C(N=[N+]=[N-])C=CC=C1 BBS-00018812 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.41 COC1=CC=CC=C1N=C=O BBS-00027567 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.4 C=CCC1=CC=CC=C1O BBS-00010672 [1,0,0,0,0,0|1,0,1]=3 4 B10R1.4 CC1=C(N=C=O)C=CC=C1 BBS-00038758 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.4 CC1=C(N=C=S)C=CC=C1 BBS-00004434 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.4 CC1=CC=CC=C1N=[N+]=[N-] BBS-00018813 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.4 CCNC1=C(Cl)C=CC=C1 BBS-00017115 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.4 CCOC1=C(Cl)C=CC=C1 BBS-00015665 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.4 CCOC1=C(N)C=CC=C1 BBS-00003548 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.4 CCOC1=CC=CC=C1C BBS-00015692 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.4 ClC1=C(CCBr)C=CC=C1 BBS-00028910 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.20 CCC1=C(NN)C=CC=C1 BBS-00028125 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.20 CCC1=CC=CC=C1CN BBS-00030007 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.20 CCC1=CC=CC=C1NN BBS-00006753 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.20 COC1=C(CN)C=CC=C1 BBS-00003620 [1,0,0,0,0,0|0,0,0]=1 16 B10R1.20 COC1=CC=CC=C1C#N BBS-00020869 [1,0,0,0,0,0|0,0,2]=3 17 B10R1.20 COC1=CC=CC=C1C=O BBS-00003204 [1,0,0,0,0,0|1,0,1]=3 18 B10R1.20 N#CC1=C(CBr)C=CC=C1 BBS-00000052 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.20 N#CC1=CC=CC=C1CCl BBS-00003977 [1,0,0,0,0,0|3,0,0]=4 20 B12R1.75 CCC1=C(NC(N)=S)C=CC=C1 BBS-00018884 [0,1,0,0,0,0|2,0,1]=4 21 B12R1.75 COC1=C(CC(=O)O)C=CC=C1 BBS-00012567 [0,1,0,0,0,0|1,0,1]=3 22 B12R1.77 COC1=C(C(=O)NN)C=CC=C1 BBS-00013822 [0,1,0,0,0,0|1,0,1]=3 23 B12R1.77 COC1=CC=CC=C1C(=O)CBr BBS-00003867 [0,1,0,0,0,0|1,0,1]=3 24 B12R1.77 COC1=CC=CC=C1\C(N)=N\O BBS-00021630 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.112 CCOC1=CC=C(N)C=C1OC BBS-00001447 [0,1,0,0,0,0|2,0,0]=3 26 B12R1.121 CCC1=CC=CC=C1OCC#N BBS-00024709 [0,1,0,0,0,0|1,0,2]=4 27 B12R1.121 COC1=C(OCCN)C=CC=C1 BBS-00034768 [0,1,0,0,0,0|0,0,0]=1 28 B12R1.121 COC1=CC=CC=C1CCCN BBS-00017077 [0,1,0,0,0,0|0,0,0]=1 29 B12R1.121 COC1=CC=CC=C1OCCBr BBS-00008419 [0,1,0,0,0,0|1,0,0]=2 30 B12R1.283 CCOC1=CC=CC=C1C(C)=O BBS-00006696 [0,1,0,0,0,0|3,0,0]=4 31 B12R2.18 CN1C(=O)CC2=CC=CC=C21 BBS-00023678 [0,0,0,1,0,0|2,0,1]=4 32 B12R2.18 CN1C2=CC=CC=C2N=C1N BBS-00012333 [0,0,0,1,0,0|2,0,1]=4 33 B12R2.18 N[C@@H]1CC2=CC=CC=C2[C@@H]1O BBS-00032390 [0,0,0,1,0,0|2,0,0]=3 34 B12R2.24 CC1CCC2=CC=CC=C2N1 BBS-00001527 [0,0,0,1,0,0|3,0,0]=4 35 B12R2.24 CC1CNC2=CC=CC=C2O1 BBS-00002745 [0,0,0,1,0,0|3,0,0]=4 36 B12R2.24 O=C1COC2=CC=CC=C2N1 BBS-00009494 [0,0,0,1,0,0|2,0,1]=4 37 B12R2.24 OC1=NC2=CC=CC=C2OC1 BBS-00028348 [0,0,0,1,0,0|2,0,1]=4 38 B12R2.24 S=C1COC2=CC=CC=C2N1 BBS-00020054 [0,0,0,1,0,0|2,0,1]=4 39 B12R2.41 C1=CC=C2SCCCNC2=C1 BBS-00006297 [0,0,0,1,0,0|2,1,0]=4 40 B12R2.1081 ClC1CCCC2=C1C=CC=C2 BBS-00032692 [0,0,0,1,0,0|3,0,0]=4 41 B12R2.1081 NC1CCCC2=CC=CC=C21 BBS-00003619 [0,0,0,1,0,0|3,0,0]=4 42 B12R2.1081 O=C1CCCC2=CC=CC=C12 BBS-00028238 [0,0,0,1,0,0|3,0,0]=4 43 B12R2.1081 O=C1NCCC2=CC=CC=C12 BBS-00022019 [0,0,0,1,0,0|2,0,0]=3 44 B9R1.8 BrCCC1=CC=CC=C1 BBS-00028228 [2,0,0,0,0,0|1,0,0]=3 45 B9R1.8 ClCCC1=CC=CC=C1 BBS-00027739 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.8 N#CCC1=CC=CC=C1 BBS-00024145 [2,0,0,0,0,0|0,0,2]=4 47 B9R1.8 NOCC1=CC=CC=C1 BBS-00029336 [2,0,0,0,0,0|1,0,0]=3 48 B9R1.8 OCCC1=CC=CC=C1 BBS-00004355 [2,0,0,0,0,0|1,0,0]=3 49 B9R1.8 OCCC1=NC=CC=C1 BBS-00028971 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.15 BrCC1=C(Br)C=CC=C1 BBS-00028411 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.15 C(=O)C1=CC=CC=C1N BBS-00028469 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.15 CC1=C(CCl)C=CC=C1 BBS-00003859 [2,0,0,0,0,0|1,0,0]=3 53 B9R1.15 CC1=C(CN)C=CC=C1 BBS-00006790 [2,0,0,0,0,0|0,0,0]=2 54 B9R1.15 CC1=C(NN)C=CC=C1 BBS-00006966 [2,0,0,0,0,0|1,0,0]=3 55 B9R1.15 CC1=C(NN)C=CC=C1 BBS-00028055 [2,0,0,0,0,0|1,0,0]=3 56 B9R1.15 CC1=C(NO)C=CC=C1 BBS-00022447 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.15 CC1=C([NH2+]O)C=CC=C1 BBS-00025217 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.15 CC1=CC=CN=C1CCl BBS-00028918 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.15 CC1=CC=CN=C1CO BBS-00029050 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.15 CCC1=C(N)C=CC=C1 BBS-00003570 [2,0,0,0,0,0|1,0,0]=3 61 B9R1.15 COC1=C(N)C=CC=C1 BBS-00003674 [2,0,0,0,0,0|0,0,0]=2 62 B9R1.15 COC1=CC=CC=C1F BBS-00004271 [2,0,0,0,0,0|1,0,0]=3 63 B9R1.15 COC1=CC=CC=C1O BBS-00004261 [2,0,0,0,0,0|1,0,0]=3 64 B9R1.15 COC1=CC=CN=C1Br BBS-00006021 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.15 COC1=NC=CC=C1N BBS-00012747 [2,0,0,0,0,0|1,0,0]=3 66 B9R1.15 COC1=NC=CC=C1S BBS-00037274 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.15 C[NH2+]C1=CC=CC=C1[NH3+] BBS-00033152 [2,0,0,0,0,0|1,0,1]=4 68 B9R1.15 ClCC1=C(Cl)C=CC=C1 BBS-00004019 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.15 N#CC1=CC=CC=C1N BBS-00028430 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.15 N#CC1=CC=CC=C1O BBS-00039259 [2,0,0,0,0,0|0,0,2]=4 71 B9R1.15 NC1=C(CO)C=CC=C1 BBS-00027945 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.15 NNC1=C(Cl)C=CC=C1 BBS-00027706 [2,0,0,0,0,0|2,0,0]=4 73 B11R1.13 OCCC1=CC=CC(Br)=C1F BBS-00037053 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.17 BrCCOC1=CC=CC=C1Br BBS-00022146 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.17 CC1=C(CCCN)C=CC=C1 BBS-00021926 [1,1,0,0,0,0|0,0,0]=2 76 B11R1.17 CC1=CC=CC=C1OCC#N BBS-00009752 [1,1,0,0,0,0|0,0,2]=4 77 B11R1.17 CC1=CC=CC=C1OCCBr BBS-00022159 [1,1,0,0,0,0|1,0,0]=3 78 B11R1.17 CC1=CC=CC=C1OCCN BBS-00009536 [1,1,0,0,0,0|0,0,0]=2 79 B11R1.17 CC1=CC=CC=C1OCCN BBS-00029669 [1,1,0,0,0,0|0,0,0]=2 80 B11R1.17 CC1=CC=CC=C1OCCO BBS-00022157 [1,1,0,0,0,0|1,0,0]=3 81 B11R1.17 CCCOC1=CC=CC=C1O BBS-00006716 [1,1,0,0,0,0|1,0,0]=3 82 B11R1.17 ClC1=CC=CC=C1OCCBr BBS-00022134 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.17 FC1=CC=CC=C1OCCBr BBS-00006568 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.17 NC1=C(OCCO)C=CC=C1 BBS-00027388 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.17 NCCCC1=C(Br)C=CC=C1 BBS-00017118 [1,1,0,0,0,0|1,0,0]=3 86 B11R1.17 NCCCC1=C(Cl)C=CC=C1 BBS-00017152 [1,1,0,0,0,0|1,0,0]=3 87 B11R1.17 NCCOC1=C(Br)C=CC=C1 BBS-00036634 [1,1,0,0,0,0|1,0,0]=3 88 B11R1.17 NCCOC1=CC=CC=C1F BBS-00002719 [1,1,0,0,0,0|1,0,0]=3 89 B11R1.17 NNCCC1=CC=CC=C1F BBS-00012995 [1,1,0,0,0,0|1,0,0]=3 90 B11R1.17 OCCCC1=C(Br)C=CC=C1 BBS-00017119 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.17 OCCCC1=C(Cl)C=CC=C1 BBS-00017151 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.17 OCCOC1=CC=CC=C1Br BBS-00022144 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.17 OCCOC1=CC=CC=C1Cl BBS-00022132 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.17 OCCOC1=CC=CC=C1F BBS-00022120 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.81 NCCC1=C(O)C=C(O)C=C1 BBS-00017849 [1,1,0,0,0,0|0,0,0]=2 96 B11R1.86 CC1=C(NC(N)=S)C=CC=C1 BBS-00000755 [1,1,0,0,0,0|1,0,1]=4 97 B11R1.86 CC1=CC=CC=C1CC(=O)O BBS-00028458 [1,1,0,0,0,0|1,0,1]=4 98 B11R1.86 CC1=CC=CC=C1OC(C)C BBS-00015693 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 BBS-00027926 [1,1,0,0,0,0|1,0,1]=4 100 B11R1.182 CC1=CC(CNN)=C(C)C=C1 BBS-00030119 [1,1,0,0,0,0|1,0,0]=3 101 B11R1.222 CC1=C(C(=O)NN)C=CC=C1 BBS-00004512 [1,1,0,0,0,0|1,0,1]=4 102 B11R1.222 CC1=CC=CC=C1C(C)CN BBS-00017189 [1,1,0,0,0,0|0,0,0]=2 103 B11R1.222 NNC(=O)C1=CC=CC=C1O BBS-00008439 [1,1,0,0,0,0|1,0,1]=4 104 B11R1.37 COC1=C(C=O)C=C(Br)C=C1 BBS-00003157 [1,1,0,0,0,0|1,0,1]=4 105 B11R1.37 COC1=C(C=O)C=CC(O)=C1 BBS-00025685 [1,1,0,0,0,0|1,0,1]=4 106 B11R1.37 COC1=C(CO)C=C(Br)C=C1 BBS-00025645 [1,1,0,0,0,0|1,0,0]=3 107 B11R1.37 COC1=C(CO)C=C(Cl)C=C1 BBS-00013432 [1,1,0,0,0,0|1,0,0]=3 108 B11R1.37 COC1=C(OC)N=CC(I)=C1 BBS-00037234 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.37 COC1=CC(S)=CN=C1OC BBS-00037200 [1,1,0,0,0,0|2,0,0]=4 110 B11R1.37 COC1=CC=C(Cl)C=C1C#N BBS-00025604 [1,1,0,0,0,0|0,0,2]=4 111 B11R1.37 COC1=CC=C(N)C=C1OC BBS-00028046 [1,1,0,0,0,0|1,0,0]=3 112 B11R1.53 COC1=CC=CC=C1C(=O)O BBS-00003735 [1,1,0,0,0,0|1,0,1]=4 113 B11R1.53 NCC1=CC=CC=C1[N+](=O)[O-] BBS-00025598 [1,1,0,0,0,0|2,0,0]=4 114 B11R1.265 COC1=C(C=O)C(O)=CC=C1 BBS-00007008 [1,1,0,0,0,0|1,0,1]=4 115 B13R1.91 COC1=C(NC(=O)CCl)C=CC=C1 BBS-00003901 [0,2,0,0,0,0|1,0,1]=4 116 B13R1.91 COC1=CC=CC=C1CC(C)CN BBS-00017178 [0,2,0,0,0,0|0,0,0]=2 117 B13R1.3089 COC1=C(OC(F)F)C=C(N)C=C1 BBS-00015672 [0,2,0,0,0,0|2,0,0]=4 118 B13R1.382 CCOC1=CC=CC=C1C(=O)CBr BBS-00036480 [0,2,0,0,0,0|1,0,1]=4 119 B13R1.464 COC1=CC=CC=C1C(=O)CC#N BBS-00024748 [0,2,0,0,0,0|0,0,2]=4 120 B13R1.2209 COC1=C(C(=O)CBr)C=C(C)C=C1 BBS-00036492 [0,2,0,0,0,0|1,0,1]=4 121 B13R1.2209 COC1=CC=C(Cl)C=C1C(=O)CBr BBS-00036479 [0,2,0,0,0,0|1,0,1]=4 122 B13R1.2209 COC1=CC=C(F)C=C1C(=O)CBr BBS-00036481 [0,2,0,0,0,0|1,0,1]=4 123 B13R1.73 COC1=CC(C)=CC=C1OCCBr BBS-00021955 [0,2,0,0,0,0|1,0,0]=3 124 B13R1.73 COC1=CC(C)=CC=C1OCCO BBS-00021953 [0,2,0,0,0,0|1,0,0]=3 125 B13R1.1248 CCOC1=C(OCC)C=C(N)C=C1 BBS-00001416 [0,2,0,0,0,0|2,0,0]=4 126 B13R1.1249 CCOC1=C(OC)C=C(C#N)C=C1 BBS-00001424 [0,2,0,0,0,0|2,0,0]=4 127 B13R1.1249 CCOC1=CC=C(C=O)C=C1OC BBS-00003242 [0,2,0,0,0,0|2,0,0]=4 128 B13R1.1249 CCOC1=CC=C(CN)C=C1OC BBS-00021714 [0,2,0,0,0,0|2,0,0]=4 129 B13R1.90 CCC1=CC=CC=C1OCC(N)=O BBS-00024708 [0,2,0,0,0,0|1,0,1]=4 130 B13R1.90 COC1=CC=CC=C1OCC(=O)O BBS-00026563 [0,2,0,0,0,0|1,0,1]=4 131 B13R1.572 CC(C)C1=CC=CC=C1OCCN BBS-00009533 [0,2,0,0,0,0|1,0,0]=3 132 B13R1.572 CCCOC1=C(C(C)=O)C=CC=C1 BBS-00032034 [0,2,0,0,0,0|2,0,0]=4 133 B13R1.355 CCOC1=C(OC)C=CC(C=O)=C1 BBS-00006639 [0,2,0,0,0,0|2,0,0]=4 134 B13R1.355 CCOC1=C(OC)C=CC(CO)=C1 BBS-00023851 [0,2,0,0,0,0|2,0,0]=4 135 B13R1.3911 CCOC1=CC=CC(C=O)=C1OC BBS-00006993 [0,2,0,0,0,0|2,0,0]=4 136 B13R1.3904 CCOC1=C(C=O)C=CC=C1OC BBS-00006747 [0,2,0,0,0,0|2,0,0]=4 137 B11R2.20 C1=CC2=C(CNCC2)N=C1 BBS-00013162 [1,0,0,1,0,0|1,0,0]=3 138 B11R2.20 C1=CC=C2CNCCC2=C1 BBS-00021795 [1,0,0,1,0,0|0,0,0]=2 139 B11R2.20 C1=CC=C2NCCCC2=C1 BBS-00003596 [1,0,0,1,0,0|2,0,0]=4 140 B11R2.20 C1=CC=C2OCCNC2=C1 BBS-00002717 [1,0,0,1,0,0|2,0,0]=4 141 B11R2.20 C1=CN=C2CCNCC2=C1 BBS-00013724 [1,0,0,1,0,0|1,0,0]=3 142 B11R2.55 FC1=C(C2CO2)C=CC=C1 BBS-00032681 [1,0,0,1,0,0|2,0,0]=4 143 B11R2.106 CC1=C2C=NNC2=CC=C1 BBS-00012235 [1,0,0,1,0,0|1,0,1]=4 144 B11R2.1 NC1=NOC2=CC=CC=C21 BBS-00002920 [1,0,0,1,0,0|1,0,1]=4 145 B11R2.1 O=C1NCC2=CC=CC=C12 BBS-00036104 [1,0,0,1,0,0|2,0,0]=4 146 B11R2.1 SC1CCC2=CC=CC=C21 BBS-00028756 [1,0,0,1,0,0|2,0,0]=4 147 B13R2.92 COC1=C(C2CC2N)C=CC=C1 BBS-00016703 [0,1,0,1,0,0|0,0,0]=2 148 B13R2.581 COC1=CC=CC2=C1N=C(N)S2 BBS-00007984 [0,1,0,1,0,0|1,0,1]=4 149 B13R2.32 O=C1C2=CC=CC=C2OCC1F BBS-00030033 [0,1,0,1,0,0|1,0,1]=4 150 B13R2.1613 BrCC1CCCC2=CC=CC=C21 BBS-00022081 [0,1,0,1,0,0|2,0,0]=4 151 B13R2.162 NC1=CC2=C(C=C1)CCNC2=O BBS-00022017 [0,1,0,1,0,0|2,0,0]=4 152 B13R2.162 NC1=CC=C2CCNC(=O)C2=C1 BBS-00022055 [0,1,0,1,0,0|2,0,0]=4 153 B13R2.1 NCCC1=CCC2=CC=CC=C21 BBS-00020970 [0,1,0,1,0,0|1,0,1]=4 154 B13R2.1 NCCC1=CNC2=C1C=CC=C2 BBS-00034770 [0,1,0,1,0,0|1,0,1]=4 155 B13R2.1 NCCC1=CNC2=CC=CC=C12 BBS-00034765 [0,1,0,1,0,0|1,0,1]=4 156 B13R2.1 NCCN1C=NC2=C1C=CC=C2 BBS-00034707 [0,1,0,1,0,0|1,0,1]=4 157 B13R2.33 O=C1CCC2=CC=CC=C2CC1 BBS-00026022 [0,1,0,1,0,0|2,0,0]=4 158 B13R2.45 CN1C2=CC=CC=C2N=C1CN BBS-00002735 [0,1,0,1,0,0|1,0,1]=4 159 B13R2.45 CN1C2=CC=CC=C2N=C1CN BBS-00034645 [0,1,0,1,0,0|1,0,1]=4 160 B13R2.57 NCC1COC2=CC=CC=C2C1 BBS-00017076 [0,1,0,1,0,0|0,0,0]=2 161 B13R2.57 OCC1COC2=CC=CC=C2C1 BBS-00017075 [0,1,0,1,0,0|1,0,0]=3 162 B13R2.135 COC1C2=CC=CC=C2CC1N BBS-00017045 [0,1,0,1,0,0|0,0,0]=2 163 B9R1.33 CC1=NC=CN1CCN BBS-00030822 [1,0,0,0,1,0|2,0,0]=4 164 B9R1.14 COC1=CSC=C1OC BBS-00006359 [1,0,0,0,1,0|2,0,0]=4