0 B10R1.1 CC1=CC=C(CC#N)C=C1 1287072 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.1 CC1=CC=C(CCCl)C=C1 1277178 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.1 CC1=CC=C(CCN)C=C1 1038622 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.1 CCCC1=CC=C(O)C=C1 2818223 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.1 CCOC1=CC=C(N)C=C1 1314575 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.1 CCOC1=CC=C(O)C=C1 1506720 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.1 N#CCC1=CC=C(Br)C=C1 1287071 [0,0,0,0,0,0|1,0,2]=3 7 B10R1.1 N#CCC1=CC=C(Cl)C=C1 1519435 [0,0,0,0,0,0|1,0,2]=3 8 B10R1.1 N#CCC1=CC=C(F)C=C1 1519437 [0,0,0,0,0,0|1,0,2]=3 9 B10R1.1 NCCC1=CC=C(F)C=C1 1038624 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.1 NCCC1=CC=C(O)C=C1 3463715 [0,0,0,0,0,0|0,0,0]=0 11 B10R1.1 O=C=NC1=CC=C(Cl)C=C1 1051737 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.1 OCCC1=CC=C(Br)C=C1 1204413 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.1 O\N=C\C1=CC=C(Cl)C=C1 1288010 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.1 CC1=CC=C(C#N)C=C1 1778674 [1,0,0,0,0,0|1,0,2]=4 15 B9R1.1 CC1=CC=C(C=O)C=C1 1901707 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.1 CC1=CC=C(CCl)C=C1 1778944 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.1 CC1=CC=C(CN)C=C1 7020330616 [1,0,0,0,0,0|1,0,0]=2 18 B9R1.1 CC1=CC=C(CN)C=N1 2214299 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.1 CC1=CC=C(NN)C=C1 1156633 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.1 CC1=CC=C(NN)C=C1 2831425 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.1 CC1=CN=C(CN)C=N1 4060929 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.1 CCC1=CC=C(Br)C=C1 1904109 [1,0,0,0,0,0|1,0,0]=2 23 B9R1.1 CCC1=CC=C(N)C=C1 1271733 [1,0,0,0,0,0|1,0,0]=2 24 B9R1.1 CCC1=CC=C(O)C=C1 1506641 [1,0,0,0,0,0|0,0,0]=1 25 B9R1.1 CNC1=CC=C(O)C=C1 2216139 [1,0,0,0,0,0|1,0,0]=2 26 B9R1.1 COC1=CC=C(Br)C=C1 1287415 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.1 COC1=CC=C(C)C=C1 2125386 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.1 COC1=CC=C(F)C=C1 2826315 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.1 COC1=CC=C(N)C=C1 1314578 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.1 COC1=CC=C(O)C=C1 2826230 [1,0,0,0,0,0|1,0,0]=2 31 B9R1.1 COC1=NC=C(N)C=C1 7020410079 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.1 CSC1=NC=C(N)C=C1 1119585 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.1 ClCC1=CC=C(Cl)C=C1 1779740 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.1 FC1=CC=C(CCl)C=C1 1779086 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.1 N#CC1=CC=C(Br)C=C1 1506352 [1,0,0,0,0,0|1,0,2]=4 36 B9R1.1 N#CC1=CC=C(Cl)C=C1 7119850520 [1,0,0,0,0,0|1,0,2]=4 37 B9R1.1 N#CC1=CC=C(F)C=C1 1506429 [1,0,0,0,0,0|1,0,2]=4 38 B9R1.1 N#CC1=CC=C(N)C=C1 1509976 [1,0,0,0,0,0|1,0,2]=4 39 B9R1.1 N#CC1=CC=C(O)C=C1 2826111 [1,0,0,0,0,0|0,0,2]=3 40 B9R1.1 NC1=CC=C(N=O)C=C1 3354442 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.1 NCC1=CC=C(Br)C=C1 1782635 [1,0,0,0,0,0|1,0,0]=2 42 B9R1.1 NCC1=CC=C(Cl)C=C1 1038614 [1,0,0,0,0,0|1,0,0]=2 43 B9R1.1 NCC1=CC=C(F)C=C1 5946938 [1,0,0,0,0,0|1,0,0]=2 44 B9R1.1 NCC1=CC=C(F)C=C1 7020330617 [1,0,0,0,0,0|1,0,0]=2 45 B9R1.1 NCC1=CC=C(O)C=C1 2084288 [1,0,0,0,0,0|0,0,0]=1 46 B9R1.1 NNC1=CC=C(Br)C=C1 1156639 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.1 NNC1=CC=C(Br)C=C1 22430444 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.1 NNC1=CC=C(Cl)C=C1 1156638 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.1 NNC1=CC=C(Cl)C=C1 3463727 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.1 NNC1=CC=C(F)C=C1 4434688 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.1 O=C1C=CC(=NO)C=C1 5974233 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.1 O=CC1=CC=C(Br)C=C1 988590 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.1 O=CC1=CC=C(Cl)C=C1 1901925 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.1 O=CC1=CC=C(F)C=C1 1901719 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.1 O=CC1=CC=C(O)C=C1 1194810 [1,0,0,0,0,0|1,0,1]=3 56 B9R1.1 O=NC1=CC=C(O)C=C1 11185890 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.1 OCC1=CC=C(Cl)C=C1 1779009 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.1 OCC1=CC=C(F)C=C1 1778712 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.8 BrCCC1=CC=CC=C1 2889217 [1,0,0,0,0,0|1,0,0]=2 60 B9R1.8 CCCC1=CC=CC=C1 2826136 [1,0,0,0,0,0|1,0,0]=2 61 B9R1.8 CCNC1=CC=CC=C1 1220427 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.8 CCOC1=CC=CC=C1 2826174 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.8 CNCC1=CC=CC=C1 1268163 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.8 ClCCC1=CC=CC=C1 2827551 [1,0,0,0,0,0|1,0,0]=2 65 B9R1.8 N#CCC1=CC=CC=C1 1519434 [1,0,0,0,0,0|0,0,2]=3 66 B9R1.8 N#CCC1=NC=CC=C1 1287098 [1,0,0,0,0,0|1,0,2]=4 67 B9R1.8 NCCC1=CC=CC=C1 1038619 [1,0,0,0,0,0|0,0,0]=1 68 B9R1.8 NNCC1=CC=CC=C1 1972969 [1,0,0,0,0,0|1,0,0]=2 69 B9R1.8 O=C=NC1=CC=CC=C1 1051736 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.8 O=CCC1=CC=CC=C1 1204419 [1,0,0,0,0,0|1,0,1]=3 71 B9R1.8 O=CNC1=CC=CC=C1 2826151 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.8 OCCC1=CC=CC=C1 1204382 [1,0,0,0,0,0|1,0,0]=2 73 B9R1.8 OCCC1=CC=CC=N1 1204379 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.8 [C]=NCC1=CC=CC=C1 5679156 [1,0,0,0,0,0|2,0,0]=3 75 B11R1.1 CC1=CC=C(CCCO)C=C1 1204348 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.1 CC1=CC=C(CN=C=O)C=C1 1055533 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.1 CC1=CC=C(OCC#N)C=C1 7020687413 [0,1,0,0,0,0|1,0,2]=4 78 B11R1.1 CC1=CC=C(OCCBr)C=C1 7110952511 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.1 CC1=CC=C(OCCN)C=C1 7020330475 [0,1,0,0,0,0|1,0,0]=2 80 B11R1.1 CCCCC1=CC=C(N)C=C1 2829025 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.1 CCCOC1=CC=C(N)C=C1 1232813 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.1 ClC1=CC=C(OCCBr)C=C1 7110952514 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.1 ClCCCC1=CC=C(Br)C=C1 1275149 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.1 N#CCOC1=CC=C(Cl)C=C1 7020687450 [0,1,0,0,0,0|1,0,2]=4 85 B11R1.1 NC1=CC=C(OCCO)C=C1 11185964 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.1 NC1=CC=C(OCCO)C=C1 2266781 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.1 NCCCC1=CC=C(O)C=C1 1271093 [0,1,0,0,0,0|0,0,0]=1 88 B11R1.1 NCCNC1=CC=C(O)C=C1 15380575 [0,1,0,0,0,0|0,0,0]=1 89 B11R1.1 NCCSC1=CC=C(Cl)C=C1 12486992 [0,1,0,0,0,0|1,0,0]=2 90 B11R1.1 NCCSC1=CC=C(F)C=C1 1193092 [0,1,0,0,0,0|1,0,0]=2 91 B11R1.1 OCCOC1=CC=C(F)C=C1 1275765 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 2084123 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 0125160280 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.20 CC(C)OC1=CC=C(N)C=C1 1232804 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 7020330563 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 0112150026 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.20 FC(F)SC1=CC=C(Br)C=C1 1806988 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.20 N=C(N)NC1=CC=C(O)C=C1 12405421 [0,1,0,0,0,0|1,0,1]=3 99 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 1060383 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.20 NC(=S)CC1=CC=C(Cl)C=C1 1782632 [0,1,0,0,0,0|1,0,1]=3 101 B11R1.20 NC(=S)NC1=CC=C(F)C=C1 7110950115 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 1509952 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.20 NC1=CC=C(SC(F)F)C=C1 1218428 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.20 O=C(Cl)CC1=CC=C(Cl)C=C1 1051730 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 1287087 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 1113743 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 7020330564 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 2630838 [0,1,0,0,0,0|1,0,1]=3 109 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 3026336 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 0109160035 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.22 CC1=CC=C(C(C)CO)C=C1 1779249 [0,1,0,0,0,0|2,0,0]=3 112 B11R1.22 CC1=CC=C(C(N)C#N)C=C1 1124145 [0,1,0,0,0,0|1,0,2]=4 113 B11R1.22 CC1=CC=C(C(O)CN)C=C1 1055862 [0,1,0,0,0,0|1,0,0]=2 114 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 1043826 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 1043817 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 1043824 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 1271489 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 7210540047 [0,1,0,0,0,0|1,0,1]=3 119 B11R1.22 COC(=O)C1=CC=C(O)C=C1 1310956 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.22 COC(C)C1=CC=C(F)C=C1 3644488 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.22 N#CC(N)C1=CC=C(Cl)C=C1 1124591 [0,1,0,0,0,0|1,0,2]=4 122 B11R1.22 NC(CO)C1=CC=C(Cl)C=C1 1780587 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 4788108 [0,1,0,0,0,0|1,0,1]=3 124 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 1042955 [0,1,0,0,0,0|1,0,1]=3 125 B11R1.22 NCC(O)C1=CC=C(Br)C=C1 1909733 [0,1,0,0,0,0|1,0,0]=2 126 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 1055871 [0,1,0,0,0,0|1,0,0]=2 127 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 22430310 [0,1,0,0,0,0|1,0,0]=2 128 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 7115241108 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 7119842867 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 7119846924 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 1106005 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 1106004 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 2125403 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.22 O=C(CCl)C1=CC=C(Cl)C=C1 1313074 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 1312995 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.22 O=C(CO)C1=CC=C(F)C=C1 2829713 [0,1,0,0,0,0|2,0,1]=4 137 B11R1.22 [NH3+]CC(=O)C1=CC=C(F)C=C1 0125210483 [0,1,0,0,0,0|1,0,2]=4 138 B11R1.81 N#CCC1=C(Cl)C=C(Cl)C=C1 1519439 [0,1,0,0,0,0|1,0,2]=4 139 B11R1.81 N#CCC1=CC=C(Cl)C=C1F 3674004 [0,1,0,0,0,0|1,0,2]=4 140 B11R1.83 CCOC1=CC=C(C=O)C=C1 7020401735 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.83 CCOC1=CC=C(CN)C=C1 7020330639 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.83 COC1=CC=C(CC#N)C=C1 1779154 [0,1,0,0,0,0|0,0,2]=3 143 B11R1.83 COC1=CC=C(CCCl)C=C1 1277181 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.83 COC1=CC=C(CCN)C=C1 1038628 [0,1,0,0,0,0|0,0,0]=1 145 B11R1.192 N#CCC1=CC(O)=C(O)C=C1 3353953 [0,1,0,0,0,0|0,0,2]=3 146 B11R1.192 N#CCC1=CC=C(N)C(N)=C1 15296962 [0,1,0,0,0,0|1,0,2]=4 147 B11R1.192 NCCC1=CC=C(N)C(N)=C1 1510025 [0,1,0,0,0,0|1,0,0]=2 148 B11R2.36 BrC1=CC2=C(C=C1)NCC2 1362067 [0,0,0,1,0,0|3,0,0]=4 149 B11R2.36 CC1=CC2=C(C=C1)C=NN2 5972850 [0,0,0,1,0,0|2,0,1]=4 150 B11R2.36 NC1=CC2=C(C=C1)C=NN2 7020700947 [0,0,0,1,0,0|2,0,1]=4 151 B11R2.36 NC1=CC=C2C=CNC2=C1 15386187 [0,0,0,1,0,0|1,0,2]=4 152 B11R2.36 NC1=CC=C2N=CNC2=C1 1232818 [0,0,0,1,0,0|2,0,1]=4 153 B11R2.36 NC1=CC=C2N=CNC2=C1 15386165 [0,0,0,1,0,0|2,0,1]=4 154 B11R2.36 NC1=CC=C2OCOC2=C1 1507627 [0,0,0,1,0,0|3,0,0]=4 155 B11R2.36 OC1=CC=C2N=CNC2=C1 1088557 [0,0,0,1,0,0|1,0,1]=3 156 B11R2.36 OC1=CC=C2NC=NC2=C1 1088558 [0,0,0,1,0,0|1,0,2]=4 157 B11R2.36 OC1=CC=C2OC=NC2=C1 2085770 [0,0,0,1,0,0|1,0,2]=4 158 B11R2.36 OC1=CC=C2OCOC2=C1 1507629 [0,0,0,1,0,0|2,0,0]=3 159 B9R1.7 CC1=CC(CCN)=NO1 1150833 [0,0,0,0,1,0|3,0,0]=4 160 B9R1.7 CC1=CN=C(CCN)O1 1036144 [0,0,0,0,1,0|3,0,0]=4 161 B9R1.7 CC1=CN=C(CCN)S1 7020542828 [0,0,0,0,1,0|3,0,0]=4 162 B9R1.7 CC1=CSC(CCN)=N1 15298383 [0,0,0,0,1,0|3,0,0]=4 163 B9R1.7 CC1=CSC(CCN)=N1 7018890479 [0,0,0,0,1,0|3,0,0]=4 164 B9R1.7 CC1=CSC(CCN)=N1 7110952733 [0,0,0,0,1,0|3,0,0]=4 165 B9R1.7 CC1=NC(CCN)=CN1 1202296 [0,0,0,0,1,0|3,0,0]=4 166 B9R1.7 CC1=NC(CCN)=CS1 7020410123 [0,0,0,0,1,0|3,0,0]=4 167 B9R1.7 CC1=NC(CCN)=CS1 7110950887 [0,0,0,0,1,0|3,0,0]=4 168 B9R1.7 CN1C=NC(CCN)=C1 3514215 [0,0,0,0,1,0|3,0,0]=4 169 B9R1.7 NCCC1=CC(Cl)=CS1 11639058 [0,0,0,0,1,0|2,0,0]=3 170 B8R1.2 BrCC1=CC=CC=C1 2844339 [2,0,0,0,0,0|1,0,0]=3 171 B8R1.2 CCC1=CC=CC=C1 2825676 [2,0,0,0,0,0|0,0,0]=2 172 B8R1.2 CNC1=CC=CC=C1 1366528 [2,0,0,0,0,0|1,0,0]=3 173 B8R1.2 COC1=CC=CC=C1 2825706 [2,0,0,0,0,0|1,0,0]=3 174 B8R1.2 CSC1=CC=CC=C1 2826254 [2,0,0,0,0,0|1,0,0]=3 175 B8R1.2 ClCC1=CC=CC=C1 1778716 [2,0,0,0,0,0|1,0,0]=3 176 B8R1.2 N#CC1=CC=CC=C1 1778585 [2,0,0,0,0,0|0,0,2]=4 177 B8R1.2 NCC1=CC=CC=C1 1038608 [2,0,0,0,0,0|0,0,0]=2 178 B8R1.2 NCC1=CC=CC=C1 6057147 [2,0,0,0,0,0|0,0,0]=2 179 B8R1.2 NCC1=CC=CN=C1 1038606 [2,0,0,0,0,0|1,0,0]=3 180 B8R1.2 NCC1=CC=NC=C1 1038607 [2,0,0,0,0,0|1,0,0]=3 181 B8R1.2 NNC1=CC=CC=C1 1156632 [2,0,0,0,0,0|1,0,0]=3 182 B8R1.2 NNC1=CC=CC=C1 6057168 [2,0,0,0,0,0|1,0,0]=3 183 B8R1.2 NNC1=NC=CC=C1 1060375 [2,0,0,0,0,0|2,0,0]=4 184 B8R1.2 O=CC1=CC=CC=C1 988591 [2,0,0,0,0,0|1,0,1]=4 185 B8R1.2 OCC1=CC=CC=C1 1778593 [2,0,0,0,0,0|1,0,0]=3 186 B8R1.2 SCC1=CC=CC=C1 1972971 [2,0,0,0,0,0|1,0,0]=3 187 B8R1.3 BrC1=CC=C(Br)C=C1 1362076 [2,0,0,0,0,0|2,0,0]=4 188 B8R1.3 CC1=CC=C(Br)C=C1 1287407 [2,0,0,0,0,0|1,0,0]=3 189 B8R1.3 CC1=CC=C(C)C=C1 2825678 [2,0,0,0,0,0|1,0,0]=3 190 B8R1.3 CC1=CC=C(F)C=C1 2825753 [2,0,0,0,0,0|1,0,0]=3 191 B8R1.3 CC1=CC=C(N)C=C1 2825688 [2,0,0,0,0,0|1,0,0]=3 192 B8R1.3 CC1=CC=C(N)C=N1 3488451 [2,0,0,0,0,0|2,0,0]=4 193 B8R1.3 CC1=CC=C(O)C=C1 2825707 [2,0,0,0,0,0|0,0,0]=2 194 B8R1.3 CC1=CC=C(S)C=C1 2826253 [2,0,0,0,0,0|0,1,0]=3 195 B8R1.3 CC1=CN=C(Br)C=C1 2835836 [2,0,0,0,0,0|2,0,0]=4 196 B8R1.3 CC1=CN=C(N)C=C1 2825716 [2,0,0,0,0,0|2,0,0]=4 197 B8R1.3 CC1=CNC(=O)C=C1 2024673 [2,0,0,0,0,0|1,0,1]=4 198 B8R1.3 CC1=NC=C(O)C=C1 2816909 [2,0,0,0,0,0|1,0,0]=3 199 B8R1.3 ClC1=CC=C(Br)C=C1 1287419 [2,0,0,0,0,0|2,0,0]=4 200 B8R1.3 ClC1=CC=C(Cl)C=C1 2828764 [2,0,0,0,0,0|2,0,0]=4 201 B8R1.3 FC1=CC=C(Br)C=C1 1287410 [2,0,0,0,0,0|2,0,0]=4 202 B8R1.3 FC1=CC=C(F)C=C1 2825887 [2,0,0,0,0,0|2,0,0]=4 203 B8R1.3 NC1=CC=C(Br)C=C1 1362074 [2,0,0,0,0,0|1,0,0]=3 204 B8R1.3 NC1=CC=C(Br)C=N1 7018959928 [2,0,0,0,0,0|2,0,0]=4 205 B8R1.3 NC1=CC=C(Cl)C=C1 1506171 [2,0,0,0,0,0|1,0,0]=3 206 B8R1.3 NC1=CC=C(Cl)C=N1 7119850610 [2,0,0,0,0,0|2,0,0]=4 207 B8R1.3 NC1=CC=C(F)C=C1 1506428 [2,0,0,0,0,0|1,0,0]=3 208 B8R1.3 NC1=CC=C(I)C=C1 2977826 [2,0,0,0,0,0|1,0,0]=3 209 B8R1.3 NC1=CC=C(I)C=N1 0111070071 [2,0,0,0,0,0|2,0,0]=4 210 B8R1.3 NC1=CC=C(N)C=C1 1509975 [2,0,0,0,0,0|1,0,0]=3 211 B8R1.3 NC1=CC=C(O)C=C1 1509977 [2,0,0,0,0,0|0,0,0]=2 212 B8R1.3 NC1=CN=C(Br)C=C1 2205036 [2,0,0,0,0,0|2,0,0]=4 213 B8R1.3 NC1=CN=C(Cl)C=C1 1513452 [2,0,0,0,0,0|2,0,0]=4 214 B8R1.3 NC1=NC=C(Br)C=C1 3585769 [2,0,0,0,0,0|2,0,0]=4 215 B8R1.3 NC1=NC=C(F)C=C1 1218806 [2,0,0,0,0,0|2,0,0]=4 216 B8R1.3 O=C1C=CC(=O)C=C1 2825700 [2,0,0,0,0,0|1,0,1]=4 217 B8R1.3 OC1=CC=C(Br)C=C1 1506353 [2,0,0,0,0,0|1,0,0]=3 218 B8R1.3 OC1=CC=C(Br)N=C1 5005426 [2,0,0,0,0,0|2,0,0]=4 219 B8R1.3 OC1=CC=C(Cl)C=C1 1506172 [2,0,0,0,0,0|1,0,0]=3 220 B8R1.3 OC1=CC=C(F)C=C1 1506430 [2,0,0,0,0,0|1,0,0]=3 221 B8R1.3 OC1=CC=C(O)C=C1 1194834 [2,0,0,0,0,0|1,0,0]=3 222 B8R1.3 SC1=CC=C(Br)C=C1 2932610 [2,0,0,0,0,0|1,1,0]=4 223 B8R1.3 SC1=CC=C(Cl)C=C1 2828318 [2,0,0,0,0,0|1,1,0]=4 224 B8R1.3 [NH3+]C1=CC=C([NH3+])C=C1 22430635 [2,0,0,0,0,0|1,0,1]=4 225 B10R1.3 CCC1=CC=C(C#N)C=C1 1506640 [1,1,0,0,0,0|1,0,0]=3 226 B10R1.3 CCC1=CC=C(C=O)C=C1 1901843 [1,1,0,0,0,0|0,0,1]=3 227 B10R1.3 CCC1=CC=C(CCl)C=C1 1779392 [1,1,0,0,0,0|1,0,0]=3 228 B10R1.3 COC1=CC=C(C#N)C=C1 1778844 [1,1,0,0,0,0|0,0,2]=4 229 B10R1.3 COC1=CC=C(C=O)C=C1 1180629 [1,1,0,0,0,0|1,0,1]=4 230 B10R1.3 COC1=CC=C(CN)C=C1 1038612 [1,1,0,0,0,0|0,0,0]=2 231 B10R1.3 COC1=CC=C(CO)C=C1 1778902 [1,1,0,0,0,0|1,0,0]=3 232 B10R1.3 COC1=CC=C(NN)C=C1 1156635 [1,1,0,0,0,0|1,0,0]=3 233 B10R1.3 COC1=CC=C(NN)C=C1 5482168 [1,1,0,0,0,0|1,0,0]=3 234 B10R1.3 COC1=CC=C(OC)C=C1 2827241 [1,1,0,0,0,0|1,0,0]=3 235 B10R1.3 COC1=NC=C(CN)C=C1 2228885 [1,1,0,0,0,0|1,0,0]=3 236 B10R1.3 N#CC1=CC=C(CBr)C=C1 1369355 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.3 N#CC1=CC=C(CCl)C=C1 2829303 [1,1,0,0,0,0|2,0,0]=4 238 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 1043807 [1,1,0,0,0,0|1,0,1]=4 239 B10R1.13 CC(=O)C1=CC=C(C)C=C1 1043798 [1,1,0,0,0,0|1,0,1]=4 240 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 1043806 [1,1,0,0,0,0|1,0,1]=4 241 B10R1.13 CC(=O)C1=CC=C(F)C=C1 1043805 [1,1,0,0,0,0|1,0,1]=4 242 B10R1.13 CC(=O)C1=CC=C(N)C=C1 7119850616 [1,1,0,0,0,0|1,0,1]=4 243 B10R1.13 CC(=O)C1=CC=C(O)C=C1 1778865 [1,1,0,0,0,0|0,0,1]=3 244 B10R1.13 CC(C)C1=CC=C(N)C=C1 2827066 [1,1,0,0,0,0|1,0,0]=3 245 B10R1.13 CC(C)C1=CC=C(N)C=C1 3585954 [1,1,0,0,0,0|1,0,0]=3 246 B10R1.13 CC(C)C1=CC=C(O)C=C1 2827119 [1,1,0,0,0,0|0,0,0]=2 247 B10R1.13 CC(Cl)C1=CC=C(F)C=C1 1366992 [1,1,0,0,0,0|1,0,0]=3 248 B10R1.13 CC1=CC=C(C(C)Br)C=C1 2024134 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.13 CC1=CC=C(C(C)C)C=C1 2827025 [1,1,0,0,0,0|1,0,0]=3 250 B10R1.13 CC1=CC=C(C(C)O)C=C1 1366658 [1,1,0,0,0,0|1,0,0]=3 251 B10R1.13 CC1=CC=C(C(N)=O)C=C1 1106851 [1,1,0,0,0,0|1,0,1]=4 252 B10R1.13 CC1=CC=C(C(N)=S)C=C1 7020331312 [1,1,0,0,0,0|1,0,1]=4 253 B10R1.13 CN(C)C1=CC=C(Br)C=C1 1362066 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.13 CN(C)C1=CC=C(N)C=C1 1512285 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.13 CN(N)C1=CC=C(F)C=C1 1778934 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 22588257 [1,1,0,0,0,0|1,0,1]=4 257 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 6057545 [1,1,0,0,0,0|1,0,1]=4 258 B10R1.13 N=C(N)C1=CC=C(F)C=C1 22588245 [1,1,0,0,0,0|1,0,1]=4 259 B10R1.13 N=C(N)C1=CC=C(N)C=C1 6300646 [1,1,0,0,0,0|1,0,1]=4 260 B10R1.13 N=C(N)C1=CC=C(O)C=C1 2827095 [1,1,0,0,0,0|0,0,1]=3 261 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 1375914 [1,1,0,0,0,0|1,0,1]=4 262 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 1375258 [1,1,0,0,0,0|1,0,1]=4 263 B10R1.13 NC(=O)C1=CC=C(F)C=C1 1375215 [1,1,0,0,0,0|1,0,1]=4 264 B10R1.13 NC(=O)C1=CC=C(I)C=C1 1445657 [1,1,0,0,0,0|1,0,1]=4 265 B10R1.13 NC(=O)C1=CC=C(N)C=C1 1375210 [1,1,0,0,0,0|1,0,1]=4 266 B10R1.13 NC(=O)C1=CC=C(O)C=C1 1375211 [1,1,0,0,0,0|0,0,1]=3 267 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 1792547 [1,1,0,0,0,0|1,0,1]=4 268 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 7020331320 [1,1,0,0,0,0|1,0,1]=4 269 B10R1.13 NC(=S)C1=CC=C(F)C=C1 7020331313 [1,1,0,0,0,0|1,0,1]=4 270 B10R1.13 O=C(O)C1=CC=C(O)C=C1 1195424 [1,1,0,0,0,0|1,0,1]=4 271 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 2827327 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.25 CC1=CC(C)=C(CBr)C=C1 2413490 [1,1,0,0,0,0|2,0,0]=4 273 B10R1.25 CC1=CC(C)=C(CO)C=C1 1778879 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.25 CC1=CC(O)=CC=C1N=O 1023283 [1,1,0,0,0,0|2,0,0]=4 275 B10R1.25 COC1=C(Cl)C=C(N)C=C1 1366978 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.25 COC1=C(N)C=C(C)C=C1 1366672 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.25 COC1=C(N)C=C(Cl)C=C1 1366976 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.25 COC1=CC=C(I)C=C1O 3479995 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.25 ClCC1=C(Cl)C=C(Cl)C=C1 2049523 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.25 O=CC1=C(O)C=C(O)C=C1 2827224 [1,1,0,0,0,0|1,0,1]=4 281 B10R1.176 CC1=CC(N=O)=CC=C1O 1023286 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.176 CCC1=CC=C(C)C(N)=C1 1366642 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.176 COC1=CC(Br)=C(O)C=C1 7020688436 [1,1,0,0,0,0|1,0,0]=3 284 B10R1.176 COC1=CC(C)=C(C)C=C1 6849604 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.176 COC1=CC(C)=C(N)C=C1 6923470 [1,1,0,0,0,0|2,0,0]=4 286 B10R1.176 COC1=CC(N)=C(C)C=C1 6923476 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.176 COC1=CC=C(N)C(C)=C1 1366675 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.176 COC1=CC=C(N)C(N)=C1 1197694 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.176 ClCC1=CC(Cl)=C(Cl)C=C1 2049522 [1,1,0,0,0,0|2,0,0]=4 290 B10R1.176 NCC1=CC(F)=C(F)C=C1 2048759 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.176 NNC1=CC(Cl)=C(Cl)C=C1 3676282 [1,1,0,0,0,0|2,0,0]=4 292 B10R1.176 O=C1C=C(CCl)OC=C1O 1218469 [1,1,0,0,0,0|2,0,0]=4 293 B10R1.176 O=C1C=C(CO)OC=C1O 2827707 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.176 O=CC1=CC=C(O)C(Cl)=C1 7116564493 [1,1,0,0,0,0|1,0,1]=4 295 B10R1.176 O=CC1=CC=C(O)C(O)=C1 7015151002 [1,1,0,0,0,0|1,0,1]=4 296 B10R1.4 C=CCC1=C(O)C=CC=C1 2827010 [1,1,0,0,0,0|1,0,1]=4 297 B10R1.4 CC1=CC=CC=C1CC#N 1287073 [1,1,0,0,0,0|0,0,2]=4 298 B10R1.4 CCOC1=C(O)C=CC=C1 2827244 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.4 CCOC1=CC=CC=C1N 1314577 [1,1,0,0,0,0|2,0,0]=4 300 B10R1.4 N#CCC1=C(F)C=CC=C1 1519443 [1,1,0,0,0,0|0,0,2]=4 301 B10R1.4 NCCC1=C(O)C=CC=C1 2227237 [1,1,0,0,0,0|0,0,0]=2 302 B10R1.4 NCCC1=CC=CC=C1F 6051017 [1,1,0,0,0,0|0,0,0]=2 303 B10R1.10 CC1=CC=CC(CC#N)=C1 1287074 [1,1,0,0,0,0|0,0,2]=4 304 B10R1.10 CC1=CC=CC(CCN)=C1 1038621 [1,1,0,0,0,0|0,0,0]=2 305 B10R1.10 CCNC1=CC=CC(C)=C1 1220439 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.10 CNCC1=CC(O)=CC=C1 1268164 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.10 CNCC1=CC=CC(O)=C1 3644490 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.10 CSCC1=CC(O)=CC=C1 7575917 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.10 N#CCC1=CC=CC(Cl)=C1 1519438 [1,1,0,0,0,0|0,0,2]=4 310 B10R1.10 NCCC1=CC(Br)=CC=C1 1786240 [1,1,0,0,0,0|0,0,0]=2 311 B10R1.10 NCCC1=CC(Cl)=CC=C1 1038630 [1,1,0,0,0,0|0,0,0]=2 312 B10R1.15 CC(C#N)C1=CC=CC=C1 1204062 [1,1,0,0,0,0|0,0,2]=4 313 B10R1.15 CC(CN)C1=NC=CC=C1 1883428 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.15 CC(NO)C1=CC=CC=C1 1204024 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.15 CCC(=O)C1=CC=CC=C1 1043816 [1,1,0,0,0,0|1,0,1]=4 316 B10R1.15 CCC(C)C1=CC=CC=C1 2827022 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.15 CCC(N)C1=CC=CC=C1 1146635 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.15 NCC(=O)C1=CC=CC=C1 1042947 [1,1,0,0,0,0|0,0,1]=3 319 B10R1.15 NNC(=O)C1=CC=CC=C1 1778868 [1,1,0,0,0,0|1,0,1]=4 320 B10R1.15 O=C(CBr)C1=CC=CC=C1 2125402 [1,1,0,0,0,0|1,0,1]=4 321 B10R1.15 OC(CCl)C1=CC=CC=C1 1500436 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.17 BrCCCC1=CC=CC=C1 1275152 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.17 BrCCOC1=CC=CC=C1 7110952510 [1,1,0,0,0,0|1,0,0]=3 324 B10R1.17 CCCCC1=CC=CC=C1 2827024 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.17 CCNCC1=CC=CC=C1 1366645 [1,1,0,0,0,0|1,0,0]=3 326 B10R1.17 CNCCC1=CC=NC=C1 7020420399 [1,1,0,0,0,0|1,0,0]=3 327 B10R1.17 CNCCC1=NC=CC=C1 4347309 [1,1,0,0,0,0|1,0,0]=3 328 B10R1.17 ClC\C=C\C1=CC=CC=C1 5970146 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.17 N#CCCC1=CC=CC=C1 1512383 [1,1,0,0,0,0|0,0,1]=3 330 B10R1.17 N#CCCC1=NC=CC=C1 1973037 [1,1,0,0,0,0|1,0,1]=4 331 B10R1.17 N#CCOC1=CC=CC=C1 7020402308 [1,1,0,0,0,0|0,0,2]=4 332 B10R1.17 N=C=[SH]CC1=CC=CC=C1 22430371 [1,1,0,0,0,0|0,0,2]=4 333 B10R1.17 NCCCC1=CC=CN=C1 1038705 [1,1,0,0,0,0|1,0,0]=3 334 B10R1.17 NCCNC1=NC=CC=N1 15298417 [1,1,0,0,0,0|2,0,0]=4 335 B10R1.17 NCCOC1=CC=CC=C1 7020330514 [1,1,0,0,0,0|0,0,0]=2 336 B10R1.17 NCCSC1=CC=CC=C1 6137840 [1,1,0,0,0,0|0,0,0]=2 337 B10R1.17 NNCCC1=CC=CC=C1 9080668 [1,1,0,0,0,0|0,0,0]=2 338 B10R1.17 O=C=NCC1=CC=CC=C1 1055530 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.17 O=CCCC1=CC=CC=C1 1191525 [1,1,0,0,0,0|1,0,0]=3 340 B10R1.17 OCCNC1=CC=CC=C1 1866520 [1,1,0,0,0,0|1,0,0]=3 341 B10R1.17 OCCOC1=CC=CC=C1 1275759 [1,1,0,0,0,0|1,0,0]=3 342 B10R1.17 SCCOC1=CC=CC=C1 1310591 [1,1,0,0,0,0|1,0,0]=3 343 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 2818083 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.18 CC(C)NC1=CC=CC=C1 1220423 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.18 CN(C)CC1=CC=CC=C1 2827061 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.18 FC(F)SC1=CC=CC=C1 1779696 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.18 NC(=O)NC1=CC=CC=C1 1778870 [1,1,0,0,0,0|1,0,1]=4 348 B10R1.18 NC(=S)CC1=CC=CC=C1 7018890438 [1,1,0,0,0,0|0,0,1]=3 349 B10R1.18 NC(=S)NC1=CC=CC=C1 1001333 [1,1,0,0,0,0|1,0,1]=4 350 B10R1.18 O=C(Cl)CC1=CC=CC=C1 1051728 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.18 O=C(O)CC1=CC=CC=C1 1500423 [1,1,0,0,0,0|1,0,1]=4 352 B12R1.1 CC1=CC=C(CCCCN)C=C1 1038741 [0,2,0,0,0,0|1,0,0]=3 353 B12R1.1 CC1=CC=C(OCCCBr)C=C1 7110952517 [0,2,0,0,0,0|2,0,0]=4 354 B12R1.1 CCCCOC1=CC=C(N)C=C1 1232812 [0,2,0,0,0,0|2,0,0]=4 355 B12R1.1 ClC1=CC=C(OCCCBr)C=C1 7110952509 [0,2,0,0,0,0|2,0,0]=4 356 B12R1.1 NCCCCC1=CC=C(Cl)C=C1 1038750 [0,2,0,0,0,0|1,0,0]=3 357 B12R1.1 NCCCCC1=CC=C(F)C=C1 1038743 [0,2,0,0,0,0|1,0,0]=3 358 B12R1.1 NCCCOC1=CC=C(F)C=C1 1034752 [0,2,0,0,0,0|1,0,0]=3 359 B12R1.1 O=CCCCC1=CC=C(F)C=C1 1203994 [0,2,0,0,0,0|2,0,0]=4 360 B12R1.1 OCCCCC1=CC=C(Br)C=C1 1203977 [0,2,0,0,0,0|2,0,0]=4 361 B12R1.16 CC(CCBr)C1=CC=C(F)C=C1 1800936 [0,2,0,0,0,0|2,0,0]=4 362 B12R1.16 CC(CCN)C1=CC=C(Cl)C=C1 1042427 [0,2,0,0,0,0|1,0,0]=3 363 B12R1.16 CC(CCO)C1=CC=C(Br)C=C1 1799909 [0,2,0,0,0,0|2,0,0]=4 364 B12R1.16 CC(CCO)C1=CC=C(F)C=C1 1780306 [0,2,0,0,0,0|2,0,0]=4 365 B12R1.16 CCCC(=O)C1=CC=C(Cl)C=C1 1313072 [0,2,0,0,0,0|2,0,0]=4 366 B12R1.16 CCCC(=O)C1=CC=C(F)C=C1 1312993 [0,2,0,0,0,0|2,0,0]=4 367 B12R1.16 CCCC(C)C1=CC=C(O)C=C1 3355675 [0,2,0,0,0,0|1,0,0]=3 368 B12R1.16 CN(CCN)C1=CC=C(Cl)C=C1 1144846 [0,2,0,0,0,0|1,0,0]=3 369 B12R1.16 CNCC(O)C1=CC=C(Cl)C=C1 1055899 [0,2,0,0,0,0|1,0,0]=3 370 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 15386114 [0,2,0,0,0,0|0,0,0]=2 371 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 1274435 [0,2,0,0,0,0|2,0,0]=4 372 B12R1.16 NCCC(O)C1=CC=C(Br)C=C1 1188445 [0,2,0,0,0,0|1,0,0]=3 373 B12R1.16 NCCC(O)C1=CC=C(F)C=C1 1188443 [0,2,0,0,0,0|1,0,0]=3 374 B12R1.16 O=C(CCBr)C1=CC=C(Br)C=C1 2014884 [0,2,0,0,0,0|2,0,0]=4 375 B12R1.21 CC(=O)CCC1=CC=C(Br)C=C1 1043599 [0,2,0,0,0,0|2,0,0]=4 376 B12R1.21 CC(C)COC1=CC=C(N)C=C1 1232803 [0,2,0,0,0,0|2,0,0]=4 377 B12R1.21 CC(N)CCC1=CC=C(Br)C=C1 1043659 [0,2,0,0,0,0|1,0,0]=3 378 B12R1.21 CC(N)COC1=CC=C(Cl)C=C1 7020610568 [0,2,0,0,0,0|1,0,0]=3 379 B12R1.21 CC1=CC=C(CCC(=O)Cl)C=C1 1375493 [0,2,0,0,0,0|2,0,0]=4 380 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 7018760318 [0,2,0,0,0,0|2,0,0]=4 381 B12R1.21 CC1=CC=C(OCC(N)=S)C=C1 7020331556 [0,2,0,0,0,0|1,0,1]=4 382 B12R1.21 CN(C)\C=N\C1=CC=C(O)C=C1 14900810 [0,2,0,0,0,0|1,0,1]=4 383 B12R1.21 N=C(N)COC1=CC=C(Cl)C=C1 2125332 [0,2,0,0,0,0|1,0,1]=4 384 B12R1.21 N=C(N)SCC1=CC=C(F)C=C1 11186103 [0,2,0,0,0,0|1,0,1]=4 385 B12R1.21 NC(=O)CSC1=CC=C(Cl)C=C1 1375972 [0,2,0,0,0,0|1,0,1]=4 386 B12R1.21 NC(=O)\C=C\C1=CC=C(O)C=C1 2426235 [0,2,0,0,0,0|0,0,2]=4 387 B12R1.21 NC(=S)COC1=CC=C(Cl)C=C1 7020331589 [0,2,0,0,0,0|1,0,1]=4 388 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 1509953 [0,2,0,0,0,0|2,0,0]=4 389 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 7018930011 [0,2,0,0,0,0|2,0,0]=4 390 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 7020400396 [0,2,0,0,0,0|2,0,0]=4 391 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 0110520182 [0,2,0,0,0,0|1,0,0]=3 392 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 7119850499 [0,2,0,0,0,0|1,0,1]=4 393 B12R1.49 CC1=CC=C(OC(=O)CN)C=C1 1902649 [0,2,0,0,0,0|1,0,1]=4 394 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 0104820394 [0,2,0,0,0,0|1,0,1]=4 395 B12R1.69 CC1=C(OCCN)C=CC(Cl)=C1 7020330491 [0,2,0,0,0,0|1,0,0]=3 396 B12R1.69 CC1=CC(=O)N(CCCN)C=C1 1324657 [0,2,0,0,0,0|2,0,0]=4 397 B12R1.69 CCCOC1=CC=C(C)C=C1N 1367265 [0,2,0,0,0,0|2,0,0]=4 398 B12R1.71 CCC1=CC=C(OCCBr)C=C1 7119720018 [0,2,0,0,0,0|2,0,0]=4 399 B12R1.71 CCCOC1=CC=C(C=O)C=C1 7020401736 [0,2,0,0,0,0|1,0,1]=4 400 B12R1.71 CNCCC1=CC=C(OC)C=C1 7020694235 [0,2,0,0,0,0|0,0,0]=2 401 B12R1.71 COC1=CC=C(CCC#N)C=C1 1512398 [0,2,0,0,0,0|0,0,1]=3 402 B12R1.71 COC1=CC=C(CCCN)C=C1 1038716 [0,2,0,0,0,0|0,0,0]=2 403 B12R1.71 COC1=CC=C(CN=[N+]=[N-])C=C1 7138601 [0,2,0,0,0,0|1,0,1]=4 404 B12R1.71 COC1=CC=C(OCC#N)C=C1 7020687421 [0,2,0,0,0,0|0,0,2]=4 405 B12R1.71 COC1=CC=C(OCCBr)C=C1 7020390482 [0,2,0,0,0,0|1,0,0]=3 406 B12R1.71 COC1=CC=C(OCCN)C=C1 7020330482 [0,2,0,0,0,0|0,0,0]=2 407 B12R1.71 COC1=CC=C(SCCN)C=C1 1193094 [0,2,0,0,0,0|0,0,0]=2 408 B12R1.385 NCCNC1=CC(Cl)=C(F)C=C1 1142667 [0,2,0,0,0,0|1,0,0]=3 409 B12R1.4 CC(C)CC1=CC=C(C#N)C=C1 1779672 [0,2,0,0,0,0|2,0,0]=4 410 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 6871423 [0,2,0,0,0,0|0,0,1]=3 411 B12R1.4 COC1=CC=C(CC(=O)Cl)C=C1 1375536 [0,2,0,0,0,0|1,0,1]=4 412 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 7119860207 [0,2,0,0,0,0|1,0,1]=4 413 B12R1.4 COC1=CC=C(CC(N)=O)C=C1 1375313 [0,2,0,0,0,0|0,0,1]=3 414 B12R1.4 COC1=CC=C(CC(N)=S)C=C1 1782040 [0,2,0,0,0,0|0,0,1]=3 415 B12R1.4 COC1=CC=C(NC(N)=S)C=C1 1321468 [0,2,0,0,0,0|1,0,1]=4 416 B12R1.19 NC1=C(O)C=CC(CC(=O)O)=C1 3673138 [0,2,0,0,0,0|1,0,1]=4 417 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 12482597 [0,2,0,0,0,0|1,0,1]=4 418 B12R1.106 CC(C)(C)CC1=CC=C(O)C=C1 22430419 [0,2,0,0,0,0|1,0,0]=3 419 B12R1.106 CC1=CC=C(CC(C)(C)N)C=C1 1040868 [0,2,0,0,0,0|1,0,0]=3 420 B12R1.106 NC1=CC=C(CS(N)(=O)=O)C=C1 2226512 [0,2,0,0,0,0|2,0,0]=4 421 B12R1.106 OC1=CC=C(OC(F)(F)F)C=C1 6849706 [0,2,0,0,0,0|2,0,0]=4 422 B12R1.5 CCC(=O)C1=CC=C(OC)C=C1 1043827 [0,2,0,0,0,0|1,0,1]=4 423 B12R1.5 CCC(C)C1=CC=C(C#N)C=C1 1779673 [0,2,0,0,0,0|2,0,0]=4 424 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 1106003 [0,2,0,0,0,0|1,0,1]=4 425 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 1313000 [0,2,0,0,0,0|1,0,1]=4 426 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 4435230 [0,2,0,0,0,0|0,0,1]=3 427 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 7210740504 [0,2,0,0,0,0|1,0,1]=4 428 B12R1.5 COC1=CC=C(C(N)C#N)C=C1 1124452 [0,2,0,0,0,0|0,0,2]=4 429 B12R1.5 COC1=CC=C(C(O)CN)C=C1 1055868 [0,2,0,0,0,0|0,0,0]=2 430 B12R1.9 CC(C)(CN)C1=CC=C(Cl)C=C1 1059201 [0,2,0,0,0,0|1,0,0]=3 431 B12R1.9 CC(C)(CN)C1=CC=C(F)C=C1 1059572 [0,2,0,0,0,0|1,0,0]=3 432 B12R1.9 CC(C)(CO)C1=CC=C(F)C=C1 1367387 [0,2,0,0,0,0|2,0,0]=4 433 B12R1.9 CC(O)(CN)C1=CC=C(Br)C=C1 1056091 [0,2,0,0,0,0|1,0,0]=3 434 B12R1.9 CC(O)(CN)C1=CC=C(Cl)C=C1 1056090 [0,2,0,0,0,0|1,0,0]=3 435 B12R1.9 CC(O)(CN)C1=CC=C(F)C=C1 1056089 [0,2,0,0,0,0|1,0,0]=3 436 B12R1.9 CCC(C)(C)C1=CC=C(O)C=C1 2833028 [0,2,0,0,0,0|1,0,0]=3 437 B12R1.12 CCC(CC)C1=CC=C(O)C=C1 3355676 [0,2,0,0,0,0|1,0,0]=3 438 B12R1.12 CCC(CN)C1=CC=C(F)C=C1 1201831 [0,2,0,0,0,0|1,0,0]=3 439 B12R1.12 CCC(NC)C1=CC=C(Br)C=C1 7110952703 [0,2,0,0,0,0|2,0,0]=4 440 B12R1.367 NCC(=O)C1=CC(Cl)=C(Cl)C=C1 6595014 [0,2,0,0,0,0|1,0,1]=4 441 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 2930095 [0,2,0,0,0,0|1,0,1]=4 442 B12R1.1703 O=C(CCl)C1=CC=C(O)C=C1O 1089662 [0,2,0,0,0,0|1,0,1]=4 443 B12R1.1123 CC1=CC(O)=C(O)C=C1CCN 4675078 [0,2,0,0,0,0|0,0,0]=2 444 B12R1.113 CC(C)C1=CC=C(CCN)C=C1 1038632 [0,2,0,0,0,0|1,0,0]=3 445 B12R1.113 CCOC1=CC=C(C(=O)O)C=C1 0109160022 [0,2,0,0,0,0|2,0,0]=4 446 B12R1.113 CN(C)C1=CC=C(CCN)C=C1 7020694273 [0,2,0,0,0,0|1,0,0]=3 447 B12R1.113 CSCC1=CC=C(C(=O)O)C=C1 2116748 [0,2,0,0,0,0|2,0,0]=4 448 B12R1.113 NCCC1=CC=C([N+](=O)[O-])C=C1 1202458 [0,2,0,0,0,0|0,0,1]=3 449 B12R1.116 CCOC1=CC=C(OCC)C=C1 2833438 [0,2,0,0,0,0|2,0,0]=4 450 B12R1.288 COC1=C(F)C=C(CCO)C=C1 1780413 [0,2,0,0,0,0|1,0,0]=3 451 B12R1.44 CNCC1=CC(Cl)=C(O)C(Cl)=C1 4341866 [0,2,0,0,0,0|2,0,0]=4 452 B12R1.286 CCOC1=CC(C=O)=C(O)C=C1 2833348 [0,2,0,0,0,0|2,0,0]=4 453 B12R1.286 CCOC1=CC=C(O)C(C#N)=C1 3477815 [0,2,0,0,0,0|2,0,0]=4 454 B10R2.6 C1=CC=C(C2CN2)C=C1 4194135 [1,0,0,1,0,0|0,0,0]=2 455 B10R2.6 C1=CC=C(C2CO2)C=C1 1205184 [1,0,0,1,0,0|1,0,0]=3 456 B10R2.7 C1=CC2=C(C=C1)NCC2 2826118 [1,0,0,1,0,0|0,0,0]=2 457 B10R2.7 C1=CC2=C(C=C1)OCC2 2826125 [1,0,0,1,0,0|1,0,0]=3 458 B10R2.7 C1=CC=C2CCCC2=C1 1778681 [1,0,0,1,0,0|1,0,0]=3 459 B10R2.7 C1=CC=C2CNCC2=C1 2087229 [1,0,0,1,0,0|2,0,0]=4 460 B10R2.7 C1=CC=C2NC=CC2=C1 2826038 [1,0,0,1,0,0|0,0,2]=4 461 B10R2.7 C1=CC=C2NC=NC2=C1 1234652 [1,0,0,1,0,0|1,0,1]=4 462 B10R2.7 C1=CC=C2NN=CC2=C1 1435639 [1,0,0,1,0,0|1,0,1]=4 463 B10R2.7 C1=CC=C2NN=NC2=C1 2030889 [1,0,0,1,0,0|2,0,0]=4 464 B10R2.7 C1=CC=C2OCOC2=C1 2826166 [1,0,0,1,0,0|2,0,0]=4 465 B12R2.24 CC1=CC=C2OCCOC2=C1 7139388 [0,1,0,1,0,0|2,0,0]=4 466 B12R2.24 FC1=CC2=C(C=C1)OCCO2 6641921 [0,1,0,1,0,0|2,0,0]=4 467 B12R2.24 NC1=CC=C2CCCNC2=C1 1202146 [0,1,0,1,0,0|1,0,0]=3 468 B12R2.24 NC1=CC=C2CCNCC2=C1 6641961 [0,1,0,1,0,0|1,0,0]=3 469 B12R2.24 NC1=CC=C2NCCCC2=C1 1202147 [0,1,0,1,0,0|2,0,0]=4 470 B12R2.24 OC1=CC=C2CCCCC2=C1 1507475 [0,1,0,1,0,0|1,0,0]=3 471 B12R2.79 NC1CC1C2=CC=C(O)C=C2 2202859 [0,1,0,1,0,0|0,0,0]=2 472 B12R2.132 O=C1CCC2=CC=C(Cl)C=C12 1202555 [0,1,0,1,0,0|2,0,0]=4 473 B12R2.132 OC1CCC2=CC=C(Cl)C=C21 1202612 [0,1,0,1,0,0|2,0,0]=4 474 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 1059269 [0,1,0,1,0,0|2,0,0]=4 475 B12R2.290 NC1(C2=CC=C(F)C=C2)CC1 1059644 [0,1,0,1,0,0|2,0,0]=4 476 B12R2.290 NC1(C2=CC=C(F)C=C2)CC1 2630865 [0,1,0,1,0,0|2,0,0]=4 477 B12R2.612 O=C1COC2=CC(O)=CC=C12 7014000096 [0,1,0,1,0,0|1,0,1]=4 478 B12R2.9 COC1=CC=C(C2CO2)C=C1 1205193 [0,1,0,1,0,0|1,0,0]=3 479 B12R2.44 COC1=CC=C2N=CNC2=C1 1088555 [0,1,0,1,0,0|1,0,1]=4 480 B12R2.44 O=CC1=CC2=C(C=C1)CCC2 2653591 [0,1,0,1,0,0|1,0,1]=4 481 B12R2.44 OCC1=CC2=C(C=C1)OCO2 1779306 [0,1,0,1,0,0|2,0,0]=4 482 B8R1.1 NCC1=CC(Cl)=CS1 11639171 [1,0,0,0,1,0|2,0,0]=4 483 B8R1.8 NCCC1=CN=CN1 2816948 [1,0,0,0,1,0|2,0,0]=4 484 B8R1.8 NCCC1=CN=CN1 5662517 [1,0,0,0,1,0|2,0,0]=4 485 B8R1.8 NCCC1=CNC=N1 3354315 [1,0,0,0,1,0|2,0,0]=4 486 B8R1.8 NCCC1=CNC=N1 4434673 [1,0,0,0,1,0|2,0,0]=4 487 B8R1.8 NCCC1=CSC=N1 7020691339 [1,0,0,0,1,0|2,0,0]=4 488 B8R1.8 NCCC1=NC=CS1 1059793 [1,0,0,0,1,0|2,0,0]=4 489 B8R1.8 NCCC1=NC=CS1 3851317 [1,0,0,0,1,0|2,0,0]=4 490 B8R1.8 NCCN1C=CC=C1 1048773 [1,0,0,0,1,0|1,0,0]=3 491 B8R1.8 NCCN1C=CC=C1 8916334 [1,0,0,0,1,0|1,0,0]=3 492 B8R1.8 NCCN1C=CC=N1 7138650 [1,0,0,0,1,0|2,0,0]=4 493 B8R1.8 NCCN1C=CN=C1 7138652 [1,0,0,0,1,0|2,0,0]=4 494 B8R1.8 OCCC1=CC=CS1 22430596 [1,0,0,0,1,0|2,0,0]=4