0 B10R1.3 CCC1=CC=C(NN)C=C1 BBL022324 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.3 COC1=CC=C(CO)C=C1 BBL027471 [0,0,0,0,0,0|0,0,0]=0 2 B10R1.3 COC1=CC=C(NN)C=C1 BBL012156 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.3 CSC1=CC=C(CN)C=C1 BBL037745 [0,0,0,0,0,0|1,1,0]=2 4 B10R1.3 N#CC1=CC=C(CCl)C=C1 BBL012561 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.1 BrCC1=CC=C(I)C=C1 BBL028392 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.1 CNC1=CC=C(Br)C=N1 BBL023686 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.1 COC1=CC=C(S)C=C1 BBL027485 [1,0,0,0,0,0|0,1,0]=2 8 B9R1.1 CSC1=CC=C(O)C=C1 BBL104214 [1,0,0,0,0,0|0,1,0]=2 9 B9R1.1 ClCC1=CC=C(Br)C=C1 BBL027953 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.1 NC1=CC=C(C=O)C=C1 BBL013016 [1,0,0,0,0,0|1,0,2]=4 11 B9R1.1 NCC1=CC=C(N)C=C1 BBL012240 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.1 NNC1=CC=C(Br)C=C1 BBL009630 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.1 NNC1=CC=C(Cl)C=C1 BBL025596 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.1 NNC1=CC=C(I)C=C1 BBL020471 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.1 OCC1=CC=C(Cl)C=C1 BBL011936 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.1 OCC1=CC=C(F)C=C1 BBL027470 [1,0,0,0,0,0|1,0,0]=2 17 B11R1.3 CC(C)C1=CC=C(CCl)C=C1 BBL027849 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.3 CC(C)C1=CC=C(CN)C=C1 BBL037227 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 BBL027748 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.3 CCC1=CC=C(C(C)N)C=C1 BBL037374 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.3 CN(C)C1=CC=C(CN)C=C1 BBL037746 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.3 COC1=CC=C(C(C)N)C=C1 BBL036328 [0,1,0,0,0,0|1,0,0]=2 23 B11R1.3 COC1=NC=C(C(=O)O)C=C1 BBL004515 [0,1,0,0,0,0|1,0,1]=3 24 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 BBL009965 [0,1,0,0,0,0|0,1,2]=4 25 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 BBL008190 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 BBL013694 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.83 CCC1=CC=C(N=C=O)C=C1 BBL037654 [0,1,0,0,0,0|1,0,2]=4 28 B11R1.83 CCOC1=CC=C(C=O)C=C1 BBL027437 [0,1,0,0,0,0|0,0,2]=3 29 B11R1.83 COC1=CC=C(CCN)C=C1 BBL027694 [0,1,0,0,0,0|1,0,0]=2 30 B11R1.83 COC1=CC=C(CCO)C=C1 BBL027411 [0,1,0,0,0,0|0,0,0]=1 31 B11R1.83 COC1=CC=C(N=C=S)C=C1 BBL012568 [0,1,0,0,0,0|0,1,1]=3 32 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 BBL027751 [0,1,0,0,0,0|1,0,1]=3 33 B11R1.83 O=CC1=CC=C(CCBr)C=C1 BBL032464 [0,1,0,0,0,0|1,0,2]=4 34 B11R1.279 COC1=C(Cl)C=C(NN)C=C1 BBL022207 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.279 COC1=C(I)C=C(C=O)C=C1 BBL023177 [0,1,0,0,0,0|0,0,2]=3 36 B11R1.279 COC1=CC=C(C=O)C=C1O BBL023550 [0,1,0,0,0,0|0,0,2]=3 37 B11R1.279 COC1=COC(CO)=CC1=O BBL028424 [0,1,0,0,0,0|1,0,0]=2 38 B8R1.2 COC1=NC=CC=C1 BBL011495 [2,0,0,0,0,0|1,0,0]=3 39 B8R1.2 ClCC1=CC=CC=N1 BBL009975 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.2 NCC1=CC=CN=C1 BBL036897 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.2 NNC1=CC=CC=C1 BBL011601 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.2 OCC1=CC=CC=C1 BBL011938 [2,0,0,0,0,0|0,0,0]=2 43 B8R1.2 [NH3+]CC1=CC=CC=C1 BBL002893 [2,0,0,0,0,0|1,0,0]=3 44 B8R1.3 CC1=CC=[N+]([O-])C=C1 BBL027567 [2,0,0,0,0,0|1,0,1]=4 45 B8R1.3 NC1=CC=C(N)C=C1 BBL011602 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.3 O=C1C=CC(=O)C=C1 BBL010327 [2,0,0,0,0,0|0,0,2]=4 47 B8R1.3 OC1=NC=C(Cl)C=C1 BBL027573 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.1 CC1=CC=C(CON)C=C1 BBL039158 [1,1,0,0,0,0|0,0,0]=2 49 B10R1.1 CC1=CC=C(N=C=S)C=C1 BBL008372 [1,1,0,0,0,0|0,1,1]=4 50 B10R1.1 COCC1=CC=C(N)C=C1 BBL030690 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.1 NC1=CC=C(CCO)C=C1 BBL036337 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.1 NCCC1=CC=C(F)C=C1 BBL013000 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.1 NCCC1=CC=C(O)C=C1 BBL027695 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 BBL013140 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.13 CC(N)C1=CC=C(Br)C=C1 BBL034684 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 BBL017845 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 BBL027306 [1,1,0,0,0,0|0,0,2]=4 58 B10R1.13 NC(=S)C1=CC=C(O)C=C1 BBL010014 [1,1,0,0,0,0|0,1,1]=4 59 B10R1.13 O=C(O)C1=CC=C(O)C=C1 BBL011981 [1,1,0,0,0,0|0,0,1]=3 60 B10R1.25 CC1=CC(C)=C(NN)C=C1 BBL020466 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.25 COC1=CC=C(N)C=C1F BBL100259 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.25 ClCC1=C(Cl)C=C(Cl)C=C1 BBL009650 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.25 NCC1=CC=C(F)C=C1Cl BBL037739 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.25 O=CC1=CC=C(O)C=C1O BBL012171 [1,1,0,0,0,0|0,0,2]=4 65 B10R1.176 CC1=C(C)C=C(CN)C=C1 BBL037742 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.176 CC1=CC=C(NN)C=C1Cl BBL022202 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.176 CCC1=CC=C(O)C(N)=C1 BBL008072 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.176 COC1=CC(N)=C(O)C=C1 BBL000043 [1,1,0,0,0,0|0,0,0]=2 69 B10R1.176 ClCC1=CC(Cl)=C(Cl)C=C1 BBL014075 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.176 NCC1=CC(Cl)=C(F)C=C1 BBL037738 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.176 NCC1=CC(Cl)=C(O)C=C1 BBL036718 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.176 O=C1C=C(CCl)OC=C1O BBL010839 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.176 O=C1C=C(CO)OC=C1O BBL010645 [1,1,0,0,0,0|1,0,0]=3 74 B10R1.176 O=CC1=CC=C(O)C(O)=C1 BBL010377 [1,1,0,0,0,0|0,0,2]=4 75 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 BBL011959 [0,2,0,0,0,0|0,0,2]=4 76 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 BBL005388 [0,2,0,0,0,0|0,0,2]=4 77 B12R1.5 COC1=CC=C(\C(N)=N\O)C=C1 BBL005494 [0,2,0,0,0,0|0,0,1]=3 78 B12R1.6 CC(C)(C)C1=CC=C(CCl)C=C1 BBL100032 [0,2,0,0,0,0|2,0,0]=4 79 B12R1.6 COC1=CC=C(S(=O)(=O)Cl)C=C1 BBL010130 [0,2,0,0,0,0|1,0,1]=4 80 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=C1 BBL035995 [0,2,0,0,0,0|0,0,1]=3 81 B12R1.48 COC1=C(Cl)C=C(C(=O)O)C=C1 BBL002734 [0,2,0,0,0,0|0,0,1]=3 82 B12R1.48 COC1=C(Cl)C=C(C(=O)O)C=N1 BBL030314 [0,2,0,0,0,0|1,0,1]=4 83 B12R1.48 COC1=C(N)C=C(C(=O)O)C=C1 BBL004466 [0,2,0,0,0,0|0,0,1]=3 84 B12R1.48 COC1=C(N)C=C(C(N)=O)C=C1 BBL011840 [0,2,0,0,0,0|0,0,2]=4 85 B12R1.48 COC1=CC=C(C(=O)O)C=C1O BBL027386 [0,2,0,0,0,0|0,0,1]=3 86 B12R1.48 COC1=CNC(C(=O)O)=CC1=O BBL036367 [0,2,0,0,0,0|1,0,1]=4 87 B12R1.48 COC1=COC(C(=O)O)=CC1=O BBL035026 [0,2,0,0,0,0|1,0,1]=4 88 B12R1.113 CC(C)C1=CC=C(CC#N)C=C1 BBL027956 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.113 CCCC1=CC=C(C(C)N)C=C1 BBL016180 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.113 CCOC1=CC=C(C(=O)O)C=N1 BBL013253 [0,2,0,0,0,0|1,0,1]=4 91 B12R1.113 CCOC1=CC=C(C(C)N)C=C1 BBL036330 [0,2,0,0,0,0|1,0,0]=3 92 B12R1.256 CC(C)C1=CC=C(C(C)N)C=C1 BBL016174 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.452 COC1=CC(F)=C(C(C)=O)C=C1 BBL011052 [0,2,0,0,0,0|0,0,2]=4 94 B12R1.452 COC1=CC(O)=C(C(C)=O)C=C1 BBL012127 [0,2,0,0,0,0|0,0,2]=4 95 B12R1.452 COC1=CC(O)=C([N+](=O)[O-])C=C1 BBL034248 [0,2,0,0,0,0|1,0,1]=4 96 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 BBL028041 [0,2,0,0,0,0|0,0,2]=4 97 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 BBL009361 [0,2,0,0,0,0|0,0,0]=2 98 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 BBL027728 [0,2,0,0,0,0|0,0,1]=3 99 B12R1.4 COC1=CC=C(NC(N)=O)C=C1 BBL000017 [0,2,0,0,0,0|0,0,2]=4 100 B12R1.4 COC1=CC=C(NC(N)=S)C=C1 BBL022901 [0,2,0,0,0,0|0,1,1]=4 101 B12R1.4 N#CC1=CC=C(OC(F)F)C=C1 BBL039156 [0,2,0,0,0,0|1,0,1]=4 102 B12R1.71 CCCOC1=CC=C(C=O)C=C1 BBL027802 [0,2,0,0,0,0|0,0,2]=4 103 B12R1.71 COC1=CC=C(CN=C=S)C=C1 BBL027966 [0,2,0,0,0,0|0,1,0]=3 104 B12R1.71 COC1=CC=C(NCCN)C=C1 BBL015654 [0,2,0,0,0,0|1,0,0]=3 105 B12R1.71 N#CCOC1=CC=C(C=O)C=C1 BBL034344 [0,2,0,0,0,0|0,0,2]=4 106 B12R1.71 O=CC1=CC=C(OCCBr)C=C1 BBL027866 [0,2,0,0,0,0|0,0,2]=4 107 B12R1.114 CCOC1=C(Br)C=C(C=O)C=C1 BBL022968 [0,2,0,0,0,0|0,0,2]=4 108 B12R1.114 CCOC1=C(Cl)C=C(C=O)C=C1 BBL023770 [0,2,0,0,0,0|0,0,2]=4 109 B12R1.288 C=CCC1=CC=C(OC)C(O)=C1 BBL028696 [0,2,0,0,0,0|1,0,0]=3 110 B12R1.288 CCCC1=CC=C(OC)C(O)=C1 BBL028695 [0,2,0,0,0,0|1,0,0]=3 111 B12R1.288 COC1=CC=C(N=C=O)C=C1F BBL037648 [0,2,0,0,0,0|0,0,2]=4 112 B12R1.78 COC1=C(OC)C=C(CN)C=C1 BBL027681 [0,2,0,0,0,0|1,0,0]=3 113 B12R1.78 COC1=CC=C(C=O)C(OC)=C1 BBL014083 [0,2,0,0,0,0|0,0,2]=4 114 B12R1.78 COC1=CC=C(C=O)C=C1CCl BBL008843 [0,2,0,0,0,0|0,0,2]=4 115 B12R1.78 COC1=CC=C(C=O)C=C1OC BBL010373 [0,2,0,0,0,0|0,0,2]=4 116 B12R1.78 COC1=CC=C(CO)C=C1OC BBL027469 [0,2,0,0,0,0|0,0,0]=2 117 B12R1.78 COC1=CC=C(OC)C(C=O)=C1 BBL023745 [0,2,0,0,0,0|2,0,0]=4 118 B12R1.78 COC1=CC=C(OC)C(CN)=C1 BBL036275 [0,2,0,0,0,0|2,0,0]=4 119 B12R1.301 COC1=C(Br)C=C(C=O)C=C1Br BBL022969 [0,2,0,0,0,0|0,0,2]=4 120 B12R1.301 COC1=C(I)C=C(C=O)C=C1I BBL027262 [0,2,0,0,0,0|0,0,2]=4 121 B12R1.450 COC1=C(Br)C=C(C=O)C(C)=C1 BBL026892 [0,2,0,0,0,0|0,0,2]=4 122 B12R1.450 COC1=C(C)C=C(C=O)C(C)=C1 BBL025874 [0,2,0,0,0,0|0,0,2]=4 123 B12R2.44 O=CC1=CC=C2OCOC2=C1 BBL007668 [0,1,0,1,0,0|0,0,2]=4 124 B12R2.44 OCC1=CC2=C(C=CN2)C=C1 BBL029609 [0,1,0,1,0,0|1,0,1]=4 125 B12R2.44 OCC1=CC=C2OCOC2=C1 BBL011934 [0,1,0,1,0,0|0,0,0]=2 126 B8R1.1 CC1=CN(CO)N=C1 BBL040434 [1,0,0,0,1,0|2,0,0]=4