0 B12R2.44 ClCC1=CC2=C(C=C1)CCC2 BBS-00028225 [0,0,0,0,0,0|3,0,1]=4 1 B12R2.44 N#CC1=CC2=C(C=C1)OC=N2 BBS-00028990 [0,0,0,0,0,0|2,0,2]=4 2 B12R2.44 N#CC1=CC2=C(C=C1)OCO2 BBS-00024153 [0,0,0,0,0,0|1,0,1]=2 3 B12R2.44 NCC1=CC2=C(C=C1)OCO2 BBS-00003588 [0,0,0,0,0,0|1,0,1]=2 4 B12R2.44 O=CC1=CC=C2C=CNC2=C1 BBS-00038675 [0,0,0,0,0,0|2,0,1]=3 5 B12R2.44 O=CC1=CC=C2NC=NC2=C1 BBS-00020496 [0,0,0,0,0,0|2,0,1]=3 6 B12R2.44 OCC1=CC2=C(C=C1)OCO2 BBS-00007004 [0,0,0,0,0,0|0,0,2]=2 7 B11R2.36 NC1=CC2=C(C=C1)NCS2 BBS-00000785 [1,0,0,0,0,0|2,1,0]=4 8 B11R2.36 NC1=CC=C2OCOC2=C1 BBS-00004239 [1,0,0,0,0,0|1,0,0]=2 9 B11R2.36 SC1=CC=C2OCOC2=C1 BBS-00037199 [1,0,0,0,0,0|0,1,0]=2 10 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCO2 BBS-00021175 [0,1,0,0,0,0|0,0,0]=1 11 B13R2.430 CC(O)C1=CC2=C(C=C1)OCO2 BBS-00038780 [0,1,0,0,0,0|0,0,2]=3 12 B13R2.430 O=C(O)C1=CC2=C(C=C1)CNC2 BBS-00024849 [0,1,0,0,0,0|3,0,0]=4 13 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CN2 BBS-00001907 [0,1,0,0,0,0|2,0,1]=4 14 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CS2 BBS-00031134 [0,1,0,0,0,0|1,1,1]=4 15 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=C2 BBS-00030500 [0,1,0,0,0,0|2,0,1]=4 16 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=C1 BBS-00030501 [0,1,0,0,0,0|2,0,1]=4 17 B13R2.430 O=C(O)C1=CC2=NSN=C2C=C1 BBS-00008356 [0,1,0,0,0,0|3,0,0]=4 18 B13R2.430 O=C(O)C1=CC=C2N=NNC2=C1 BBS-00006799 [0,1,0,0,0,0|3,0,0]=4 19 B13R2.430 O=C(O)C1=CC=C2NC=NC2=C1 BBS-00000435 [0,1,0,0,0,0|2,0,1]=4 20 B13R2.430 O=C(O)C1=CC=C2NN=NC2=C1 BBS-00032497 [0,1,0,0,0,0|3,0,0]=4 21 B13R2.449 O=C=NC1=CC2=C(C=C1)OCO2 BBS-00018036 [0,1,0,0,0,0|0,0,1]=2 22 B13R2.669 CC1=NOC2=C1C=C(C=O)C=N2 BBS-00033236 [0,1,0,0,0,0|3,0,0]=4 23 B13R2.2121 CC1CC2=C(C=CC(C=O)=C2)O1 BBS-00001647 [0,1,0,0,0,0|1,0,0]=2 24 B13R2.2130 COC1=CC=C2C(=O)COC2=C1 BBS-00000260 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.83 C(=O)C1=CC=C(SCC)C=C1 BBS-00028787 [0,0,1,0,0,0|1,1,0]=3 26 B11R1.83 CCOC1=CC=C(C=O)C=C1 BBS-00003167 [0,0,1,0,0,0|1,0,0]=2 27 B11R1.83 CCOC1=CC=C(CBr)C=C1 BBS-00013122 [0,0,1,0,0,0|2,0,1]=4 28 B11R1.83 CCOC1=CC=C(CN)C=C1 BBS-00032180 [0,0,1,0,0,0|2,0,1]=4 29 B11R1.83 O=CC1=CC=C(CCBr)C=C1 BBS-00014405 [0,0,1,0,0,0|2,0,0]=3 30 B11R1.189 CCOC1=CC=CC(C#N)=C1 BBS-00020868 [0,0,1,0,0,0|2,0,1]=4 31 B11R1.189 CCOC1=CC=CC(C=O)=C1 BBS-00009668 [0,0,1,0,0,0|1,0,0]=2 32 B11R1.279 C(=O)C1=CC(O)=C(OC)C=C1 BBS-00003278 [0,0,1,0,0,0|0,0,0]=1 33 B11R1.279 COC1=CC(N)=C(OC)C=C1 BBS-00003545 [0,0,1,0,0,0|3,0,0]=4 34 B11R1.279 COC1=CC=C(C=O)C=C1Br BBS-00003260 [0,0,1,0,0,0|1,0,0]=2 35 B11R1.279 COC1=CC=C(C=O)C=C1F BBS-00025825 [0,0,1,0,0,0|1,0,0]=2 36 B11R1.279 COC1=CC=C(CN)C=C1Br BBS-00025569 [0,0,1,0,0,0|2,0,1]=4 37 B11R1.280 C(=O)C1=CC=C(O)C(OC)=C1 BBS-00003189 [0,0,1,0,0,0|0,0,0]=1 38 B11R1.280 COC1=CC(OC)=C(N)C=C1 BBS-00003627 [0,0,1,0,0,0|3,0,0]=4 39 B13R2.57 COC1=CC=C2OCCCC2=C1 BBS-00026822 [0,0,0,0,0,1|3,0,0]=4 40 B13R2.57 O=CC1=CC2=C(C=C1)OCCO2 BBS-00002725 [0,0,0,0,0,1|0,0,0]=1 41 B13R2.57 O=CC1=CC=C2C=CC=NC2=C1 BBS-00005340 [0,0,0,0,0,1|2,0,1]=4 42 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 BBS-00005338 [0,0,0,0,0,1|2,0,1]=4 43 B13R2.57 O=CC1=CC=C2N=CC=NC2=C1 BBS-00005346 [0,0,0,0,0,1|2,0,1]=4 44 B10R1.1 CCOC1=CC=C(N)C=C1 BBS-00003550 [1,0,1,0,0,0|2,0,0]=4 45 B10R1.1 CCOC1=CC=C(O)C=C1 BBS-00008147 [1,0,1,0,0,0|1,0,1]=4 46 B10R1.1 NC1=CC=C(CCO)C=C1 BBS-00006893 [1,0,1,0,0,0|2,0,0]=4 47 B10R1.3 C(=O)C1=CC=C(OC)C=C1 BBS-00003185 [1,0,1,0,0,0|0,0,0]=2 48 B10R1.3 CCC1=CC=C(C=O)C=C1 BBS-00003147 [1,0,1,0,0,0|1,0,0]=3 49 B10R1.3 COC1=CC=C(NN)C=C1 BBS-00036969 [1,0,1,0,0,0|2,0,0]=4 50 B10R1.3 N#CC1=CC=C(C=O)C=C1 BBS-00020900 [1,0,1,0,0,0|1,0,1]=4 51 B10R1.3 O=CC1=CC=C(C=O)C=C1 BBS-00004795 [1,0,1,0,0,0|0,0,2]=4 52 B10R1.172 C(=O)C1=CC(OC)=CC=C1 BBS-00003247 [1,0,1,0,0,0|0,0,0]=2 53 B10R1.172 COC1=CC=CC(C#N)=C1 BBS-00024216 [1,0,1,0,0,0|1,0,1]=4 54 B10R1.172 COC1=CC=CC(CCl)=C1 BBS-00003862 [1,0,1,0,0,0|1,0,1]=4 55 B10R1.172 COC1=CC=CC(CN)=C1 BBS-00028802 [1,0,1,0,0,0|1,0,1]=4 56 B10R1.172 N#CC1=CC=CC(C=O)=C1 BBS-00020898 [1,0,1,0,0,0|1,0,1]=4 57 B10R1.25 COC1=C(Br)C=C(Cl)C=C1 BBS-00036639 [1,0,1,0,0,0|2,0,0]=4 58 B10R1.25 COC1=C(N)C=C(C)C=C1 BBS-00003649 [1,0,1,0,0,0|1,0,1]=4 59 B10R1.25 COC1=C(O)C=C(I)C=C1 BBS-00036448 [1,0,1,0,0,0|1,0,0]=3 60 B10R1.25 COC1=CC=C(Cl)C=C1N BBS-00003626 [1,0,1,0,0,0|2,0,0]=4 61 B10R1.25 COC1=CC=C(N)C=C1Cl BBS-00003552 [1,0,1,0,0,0|2,0,0]=4 62 B10R1.176 C(=O)C1=CC=C(O)C(O)=C1 BBS-00003254 [1,0,1,0,0,0|0,0,0]=2 63 B10R1.176 O=CC1=CC(Cl)=C(Cl)C=C1 BBS-00000836 [1,0,1,0,0,0|2,0,0]=4 64 B10R1.176 O=CC1=CC(F)=C(F)C=C1 BBS-00020875 [1,0,1,0,0,0|2,0,0]=4 65 B10R1.176 O=CC1=CC=C(O)C(Cl)=C1 BBS-00036149 [1,0,1,0,0,0|1,0,0]=3 66 B10R1.30 COC1=C(N)C=CC(Cl)=C1 BBS-00028533 [1,0,1,0,0,0|2,0,0]=4 67 B10R2.7 C1=CC=C2NCCC2=C1 BBS-00020855 [2,0,0,0,0,0|2,0,0]=4 68 B12R1.4 C(=O)C1=CC=C(OC(C)=O)C=C1 BBS-00021537 [0,1,1,0,0,0|0,0,2]=4 69 B12R1.71 C=CCOC1=CC=C(C=O)C=C1 BBS-00008403 [0,1,1,0,0,0|1,0,0]=3 70 B12R1.71 CCCOC1=CC=C(C=O)C=C1 BBS-00003252 [0,1,1,0,0,0|1,0,0]=3 71 B12R1.71 COC1=CC=C(OCCO)C=C1 BBS-00021941 [0,1,1,0,0,0|2,0,0]=4 72 B12R1.71 O=CC1=CC=C(OCCF)C=C1 BBS-00032025 [0,1,1,0,0,0|1,0,0]=3 73 B12R1.113 CCOC1=CC=C(C(=N)N)C=C1 BBS-00029439 [0,1,1,0,0,0|2,0,0]=4 74 B12R1.113 CCOC1=CC=C(C(=O)O)C=C1 BBS-00003741 [0,1,1,0,0,0|1,0,0]=3 75 B12R1.113 CCOC1=CC=C(C(C)=O)C=C1 BBS-00003273 [0,1,1,0,0,0|1,0,0]=3 76 B12R1.113 CCSC1=CC=C(C(C)=O)C=C1 BBS-00028898 [0,1,1,0,0,0|1,1,0]=4 77 B12R1.113 NCCC1=CC=C(C(N)=O)C=C1 BBS-00020952 [0,1,1,0,0,0|2,0,0]=4 78 B12R1.116 CCOC1=CC=C(N=C=O)C=C1 BBS-00020502 [0,1,1,0,0,0|1,0,1]=4 79 B12R1.270 C(=O)C1=CC(OCC)=C(O)C=C1 BBS-00003203 [0,1,1,0,0,0|1,0,0]=3 80 B12R1.279 CCOC1=CC=CC(C(=O)O)=C1 BBS-00003740 [0,1,1,0,0,0|1,0,0]=3 81 B12R1.280 CCOC1=C(O)C(C=O)=CC=C1 BBS-00003146 [0,1,1,0,0,0|1,0,0]=3 82 B12R1.286 CCOC1=CC=C(O)C(C=O)=C1 BBS-00036436 [0,1,1,0,0,0|1,0,0]=3 83 B12R1.382 CCCOC1=CC=CC(C=O)=C1 BBS-00009669 [0,1,1,0,0,0|1,0,0]=3 84 B12R1.48 COC1=C(C)C=C(C(C)=O)C=C1 BBS-00032089 [0,1,1,0,0,0|1,0,0]=3 85 B12R1.48 COC1=C(O)C=C([N+](=O)[O-])C=C1 BBS-00021513 [0,1,1,0,0,0|1,0,0]=3 86 B12R1.48 COC1=CC=C(C(=N)N)C=C1F BBS-00025829 [0,1,1,0,0,0|2,0,0]=4 87 B12R1.48 COC1=CC=C(C(C)=O)C=C1N BBS-00022196 [0,1,1,0,0,0|1,0,0]=3 88 B12R1.48 COC1=COC(C(=O)O)=CC1=O BBS-00030906 [0,1,1,0,0,0|1,0,1]=4 89 B12R1.78 C(=O)C1=CC=C(OC)C(OC)=C1 BBS-00003208 [0,1,1,0,0,0|0,0,0]=2 90 B12R1.78 COC1=C(OC)C=C(CN)C=C1 BBS-00006456 [0,1,1,0,0,0|1,0,1]=4 91 B12R1.78 COC1=CC=C(C#N)C=C1OC BBS-00004470 [0,1,1,0,0,0|1,0,1]=4 92 B12R1.450 COC1=C(O)C=C(C=O)C(Br)=C1 BBS-00025696 [0,1,1,0,0,0|0,0,0]=2 93 B12R1.450 COC1=CC(Cl)=C(C=O)C=C1Cl BBS-00037028 [0,1,1,0,0,0|1,0,0]=3 94 B12R1.450 COC1=CC(O)=C(C=O)C=C1Cl BBS-00036378 [0,1,1,0,0,0|1,0,0]=3 95 B12R1.56 COC1=C(N)C=CC([N+](=O)[O-])=C1 BBS-00020838 [0,1,1,0,0,0|2,0,0]=4 96 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 BBS-00003785 [0,1,1,0,0,0|0,0,0]=2 97 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 BBS-00003229 [0,1,1,0,0,0|0,0,0]=2 98 B12R1.300 C(=O)C1=CC(I)=C(O)C(OC)=C1 BBS-00004640 [0,1,1,0,0,0|0,0,0]=2 99 B12R1.300 C(=O)C1=CC(OC)=C(O)C(Br)=C1 BBS-00003240 [0,1,1,0,0,0|0,0,0]=2 100 B12R1.300 C(=O)C1=CC(OC)=C(O)C(Cl)=C1 BBS-00006984 [0,1,1,0,0,0|0,0,0]=2 101 B12R1.300 COC1=C(O)C(Br)=CC(C#N)=C1 BBS-00006756 [0,1,1,0,0,0|1,0,1]=4 102 B12R1.300 COC1=CC(C=O)=CC(O)=C1O BBS-00007007 [0,1,1,0,0,0|0,0,0]=2 103 B12R1.449 COC1=CC(C=O)=C(Br)C=C1O BBS-00025697 [0,1,1,0,0,0|0,0,0]=2 104 B12R2.132 CC1=CC2=C(C=C1)OCC2=O BBS-00022109 [1,1,0,0,0,0|1,0,1]=4 105 B12R2.132 CC1=CC2=C(C=C1)OCC2N BBS-00022110 [1,1,0,0,0,0|1,0,1]=4 106 B12R2.132 NC1COC2=C1C=C(Br)C=C2 BBS-00022118 [1,1,0,0,0,0|2,0,0]=4 107 B12R2.132 NC1COC2=C1C=C(Cl)C=C2 BBS-00022053 [1,1,0,0,0,0|2,0,0]=4 108 B12R2.132 NC1COC2=C1C=C(F)C=C2 BBS-00022094 [1,1,0,0,0,0|2,0,0]=4 109 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 BBS-00022149 [1,1,0,0,0,0|2,0,0]=4 110 B12R2.132 O=C1COC2=C1C=C(Cl)C=C2 BBS-00022049 [1,1,0,0,0,0|2,0,0]=4 111 B12R2.132 O=C1COC2=C1C=C(F)C=C2 BBS-00022093 [1,1,0,0,0,0|2,0,0]=4 112 B12R2.612 O=C1COC2=CC(O)=CC=C12 BBS-00001298 [1,1,0,0,0,0|1,0,1]=4 113 B14R2.781 CC(=O)C1=CC=C2CCCCC2=C1 BBS-00006775 [0,1,0,0,0,1|2,0,0]=4 114 B14R2.781 CC(=O)C1=CC=C2OCCOC2=C1 BBS-00006494 [0,1,0,0,0,1|0,0,0]=2 115 B14R2.781 CC(N)C1=CC2=C(C=C1)OCCO2 BBS-00006788 [0,1,0,0,0,1|1,0,1]=4 116 B14R2.781 CC(N)C1=CC2=C(C=C1)OCCO2 BBS-00029831 [0,1,0,0,0,1|1,0,1]=4 117 B14R2.781 NC(=S)C1=CC2=C(C=C1)OCCO2 BBS-00021159 [0,1,0,0,0,1|0,1,0]=3 118 B14R2.781 O=C(O)C1=CC2=C(C=C1)OCCO2 BBS-00005369 [0,1,0,0,0,1|0,0,0]=2 119 B14R2.1019 ClCC1=CC2=C(OCCO2)C(Cl)=C1 BBS-00025388 [0,1,0,0,0,1|1,0,1]=4 120 B14R2.1019 O=CC1=CC(Br)=C2OCCOC2=C1 BBS-00004671 [0,1,0,0,0,1|0,0,0]=2 121 B14R2.1801 CN1CCCC2=CC(C=O)=CC=C21 BBS-00008409 [0,1,0,0,0,1|2,0,0]=4 122 B14R2.1801 CN1CCOC2=CC(C=O)=CC=C21 BBS-00023835 [0,1,0,0,0,1|1,0,0]=3 123 B14R2.624 NC1=C(C(=O)O)C=C2OCOC2=C1 BBS-00002716 [0,2,0,0,0,0|0,0,0]=2 124 B14R2.624 [NH3+]C1=CC2=C(C=C1[N+](=O)[O-])OCO2 BBS-00026602 [0,2,0,0,0,0|1,0,0]=3 125 B14R2.966 N\C(=N/O)C1=CC2=C(C=C1)OCC2 BBS-00024117 [0,2,0,0,0,0|1,0,1]=4 126 B14R2.966 O=C(CBr)C1=CC2=C(C=C1)OCO2 BBS-00000958 [0,2,0,0,0,0|0,0,0]=2 127 B14R2.991 NCCOC1=CC2=C(C=C1)OCO2 BBS-00030843 [0,2,0,0,0,0|1,0,1]=4 128 B14R2.1008 CC(=O)NC1=CC2=C(C=C1)OCO2 BBS-00035132 [0,2,0,0,0,0|0,0,0]=2 129 B14R2.1008 CC(=S)NC1=CC=C2OCOC2=C1 BBS-00035179 [0,2,0,0,0,0|0,1,0]=3 130 B14R2.1008 N=C(N)NC1=CC=C2OCOC2=C1 BBS-00022663 [0,2,0,0,0,0|1,0,0]=3 131 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCC2 BBS-00031330 [0,2,0,0,0,0|1,0,0]=3 132 B14R2.82 COC1=C(C=O)C=C2OCCC2=C1 BBS-00026833 [0,2,0,0,0,0|1,0,0]=3 133 B12R2.24 NC1=CC2=C(C=C1)OCCO2 BBS-00000780 [1,0,0,0,0,1|1,0,0]=3 134 B12R2.24 NC1=CC2=C(C=C1)OCCO2 BBS-00033008 [1,0,0,0,0,1|1,0,0]=3