0 B9R1.1 FC1=CC=C(CBr)C=C1 102290 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.1 NC1=CC=C(C=O)C=C1 15833 [0,0,0,0,0,0|1,0,2]=3 2 B9R1.1 O=CC1=CC=C(O)C=C1 15844 [0,0,0,0,0,0|0,0,2]=2 3 B9R1.1 O=NC1=CC=C(Br)C=C1 18679 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.2 NCC1=NC=CC=C1 21601 [1,0,0,0,0,0|2,0,0]=3 5 B8R1.3 BrC1=CC=C(Br)C=C1 19131 [1,0,0,0,0,0|2,0,0]=3 6 B8R1.3 ClC1=CC=C(I)N=C1 101633 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.3 FC1=CN=C(F)C=C1 102007 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.1 CCOC1=CC=C(Br)C=C1 100870 [0,1,0,0,0,0|2,0,0]=3 9 B10R1.1 NCCC1=CC=C(O)C=C1 15431 [0,1,0,0,0,0|1,0,0]=2 10 B10R1.1 NCCC1=CC=C(O)C=C1 17135 [0,1,0,0,0,0|1,0,0]=2 11 B10R1.1 O\N=CC1=CC=C(Br)C=C1 20648 [0,1,0,0,0,0|1,0,1]=3 12 B10R1.1 O\N=CC1=CC=C(C)C=C1 20713 [0,1,0,0,0,0|1,0,1]=3 13 B10R1.1 O\N=C\C1=CC=C(Cl)C=C1 19845 [0,1,0,0,0,0|1,0,1]=3 14 B10R1.1 O\N=C\C1=CC=C(O)C=C1 15709 [0,1,0,0,0,0|0,0,1]=2 15 B10R1.1 [N-]=[N+]=NC1=CC=C(Br)C=C1 22278 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.3 BrCC1=CC=C(CBr)C=C1 11611 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.3 COC1=CC=C(C=O)C=C1 15415 [0,1,0,0,0,0|0,0,2]=3 18 B10R1.3 COC1=CC=C(CN)C=C1 13748 [0,1,0,0,0,0|1,0,0]=2 19 B10R1.3 O=CC1=CC=C(C=O)C=C1 15842 [0,1,0,0,0,0|0,0,3]=4 20 B10R1.3 O=CC1=CC=C(CBr)C=C1 22181 [0,1,0,0,0,0|1,0,1]=3 21 B10R1.13 CC1=CC=C(C(=O)O)C=C1 15778 [0,1,0,0,0,0|1,0,1]=3 22 B10R1.13 CN(C)C1=CC=C(F)C=C1 102911 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.13 O=C(O)C1=CC=C(F)C=C1 101191 [0,1,0,0,0,0|1,0,1]=3 24 B10R1.13 O=C(O)C1=CC=C(F)C=N1 100749 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.13 O=C(O)C1=CC=C(O)C=C1 15302 [0,1,0,0,0,0|0,0,1]=2 26 B10R1.13 O=C(O)C1=CN=C(F)C=C1 100678 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 101615 [0,1,0,0,0,0|2,0,1]=4 28 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 20068 [0,1,0,0,0,0|1,0,1]=3 29 B10R1.25 CC1=CC=C(CCl)C(C)=C1 16098 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.25 O=CC1=C(O)C=C(O)C=C1 15667 [0,1,0,0,0,0|0,0,2]=3 31 B10R1.176 COC1=CC=C(Br)C(C)=C1 16780 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.176 COC1=CC=C(Cl)C(C)=C1 16021 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.176 NCC1=CC(O)=C(O)C=C1 20755 [0,1,0,0,0,0|1,0,0]=2 34 B10R1.176 O=CC1=CC=C(Cl)C(Cl)=C1 15845 [0,1,0,0,0,0|1,0,2]=4 35 B8R1.1 CC1=CC(CO)=NN1 19867 [0,0,0,0,1,0|3,0,0]=4 36 B7R0.6 O=C(O)\C=C\C(=O)O 20756 [1,0,1,0,0,0|2,0,0]=4 37 B7R1.3 IC1=CC=CC=C1 102614 [2,0,0,0,0,0|1,0,0]=3 38 B7R1.3 [NH+]1=CC=C(Cl)C=C1 101445 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.2 NCC1=CC=CC(Cl)=C1 102537 [1,1,0,0,0,0|1,0,0]=3 40 B9R1.2 NCC1=CC=CC(N)=C1 102876 [1,1,0,0,0,0|1,0,0]=3 41 B9R1.2 [NH3+]CC1=CC=CC(Cl)=C1 102479 [1,1,0,0,0,0|1,0,0]=3 42 B9R1.2 [NH3+]CC1=CC=CC(O)=C1 102221 [1,1,0,0,0,0|1,0,0]=3 43 B9R1.6 O=C(O)C1=CC=CC=C1 15736 [1,1,0,0,0,0|0,0,1]=3 44 B9R1.6 O=C(O)C1=CC=CN=C1 20778 [1,1,0,0,0,0|1,0,1]=4 45 B9R1.8 Br\C=C/C1=CC=CC=C1 102665 [1,1,0,0,0,0|1,0,1]=4 46 B9R1.8 COCC1=CC=CC=C1 102522 [1,1,0,0,0,0|0,0,0]=2 47 B9R1.8 C\C=C/C1=CC=CC=C1 103008 [1,1,0,0,0,0|1,0,1]=4 48 B9R1.8 F\C=C\C1=CC=CC=C1 102664 [1,1,0,0,0,0|1,0,1]=4 49 B9R1.8 I\C=C\C1=CC=CC=C1 103084 [1,1,0,0,0,0|1,0,1]=4 50 B9R1.8 NCCC1=CC=CC=C1 11614 [1,1,0,0,0,0|1,0,0]=3 51 B9R1.8 NCCC1=CC=CC=C1 12328 [1,1,0,0,0,0|1,0,0]=3 52 B9R1.8 [N-]=[N+]=NC1=CC=CC=C1 22277 [1,1,0,0,0,0|2,0,0]=4 53 B9R1.8 [NH3+]CCC1=CC=CC=C1 12322 [1,1,0,0,0,0|1,0,0]=3 54 B9R1.15 CC1=C(CO)C=NC=C1 15752 [1,1,0,0,0,0|1,0,0]=3 55 B9R1.15 CC1=CC=CC=C1CCl 16097 [1,1,0,0,0,0|1,0,0]=3 56 B9R1.15 NCC1=C(O)C=CC=C1 103068 [1,1,0,0,0,0|1,0,0]=3 57 B9R1.15 O=CC1=C(Cl)C=CC=C1 15855 [1,1,0,0,0,0|0,0,2]=4 58 B9R1.15 O=CC1=CC=CC=C1O 20957 [1,1,0,0,0,0|0,0,2]=4 59 B9R1.69 CC1=CC(O)=CC=C1Br 16031 [1,1,0,0,0,0|1,0,0]=3 60 B9R1.69 FC1=CC(I)=CC=C1I 102040 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.69 NC1=C(S)C=CC(Cl)=C1 519 [1,1,0,0,0,0|1,1,0]=4 62 B9R1.69 OC1=CC=C(F)N=C1F 100255 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.1 CC1=CC=C(C[Se]C#N)C=C1 20013 [0,2,0,0,0,0|1,1,0]=4 64 B11R1.1 CCCCC1=CC=C(O)C=C1 17214 [0,2,0,0,0,0|1,0,0]=3 65 B11R1.1 CCCOC1=CC=C(O)C=C1 17213 [0,2,0,0,0,0|1,0,0]=3 66 B11R1.1 COCOC1=CC=C(Cl)C=C1 102904 [0,2,0,0,0,0|1,0,0]=3 67 B11R1.1 COCOC1=CC=C(F)C=C1 100828 [0,2,0,0,0,0|1,0,0]=3 68 B11R1.1 N#C[Se]CC1=CC=C(Br)C=C1 20022 [0,2,0,0,0,0|1,1,0]=4 69 B11R1.1 N#C[Se]CC1=CC=C(F)C=C1 20018 [0,2,0,0,0,0|1,1,0]=4 70 B11R1.20 CC(C)CC1=CC=C(O)C=C1 17197 [0,2,0,0,0,0|1,0,0]=3 71 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 102171 [0,2,0,0,0,0|1,0,0]=3 72 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 20773 [0,2,0,0,0,0|0,0,0]=2 73 B11R1.22 CC1=CC=C(C(C)CBr)C=C1 102694 [0,2,0,0,0,0|2,0,0]=4 74 B11R1.22 FC(CBr)C1=CC=C(Cl)C=C1 100184 [0,2,0,0,0,0|2,0,0]=4 75 B11R1.22 ON=C(Cl)C1=CC=C(Cl)C=C1 20114 [0,2,0,0,0,0|1,0,1]=4 76 B11R1.81 CNCC1=CC=C(Cl)C=C1O 19425 [0,2,0,0,0,0|2,0,0]=4 77 B11R1.83 O\N=C/C1=CC=C(OC)C=C1 20664 [0,2,0,0,0,0|0,0,1]=3 78 B11R1.192 O\N=C/C1=CC(Cl)=C(Cl)C=C1 10903 [0,2,0,0,0,0|1,0,1]=4 79 B11R1.3 BrCC1=CC=C(C(Br)Br)C=C1 12022 [0,2,0,0,0,0|2,0,0]=4 80 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 17245 [0,2,0,0,0,0|1,0,1]=4 81 B11R1.3 O=C(Cl)C1=CC=C(CBr)C=C1 22026 [0,2,0,0,0,0|1,0,1]=4 82 B11R1.3 O=C(O)C1=CC=C([Hg]Cl)C=C1 20772 [0,2,0,0,0,0|1,0,1]=4 83 B11R1.279 C(=O)C1=CC(Cl)=C(OC)C=C1 21820 [0,2,0,0,0,0|0,0,2]=4 84 B11R1.279 COC1=CC=C(C=O)C=C1O 15839 [0,2,0,0,0,0|0,0,2]=4 85 B11R1.19 [2H]C1=CC=C(C(F)(F)F)C=C1 100207 [0,2,0,0,0,0|2,0,0]=4 86 B11R1.21 O=C(O)C1=CC=C(O)C(O)=C1 21496 [0,2,0,0,0,0|0,0,1]=3 87 B11R1.166 CC1=CC(F)=C(C(=O)O)C=C1 102172 [0,2,0,0,0,0|1,0,1]=4 88 B11R1.166 CC1=CC=C(B(O)O)C(F)=C1 101910 [0,2,0,0,0,0|2,0,0]=4 89 B11R1.166 CC1=CC=C(C(=O)O)C(C)=C1 15222 [0,2,0,0,0,0|1,0,1]=4 90 B11R1.166 O=C(O)C1=C(F)C=C(Br)C=C1 101300 [0,2,0,0,0,0|1,0,1]=4 91 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 101178 [0,2,0,0,0,0|1,0,1]=4 92 B11R1.166 O=C(O)C1=CC=C(Cl)C=C1O 101171 [0,2,0,0,0,0|1,0,1]=4 93 B11R1.166 O=C(O)C1=CC=C(F)C=C1F 102048 [0,2,0,0,0,0|1,0,1]=4 94 B11R1.166 O=C(O)C1=CC=C(I)C=C1F 102972 [0,2,0,0,0,0|1,0,1]=4 95 B11R1.166 O=C(O)C1=CC=C(O)C=C1Cl 101155 [0,2,0,0,0,0|0,0,1]=3 96 B11R1.166 O=C(O)C1=CC=C(O)C=C1F 101158 [0,2,0,0,0,0|0,0,1]=3 97 B11R1.278 CC1=C(O)C=CC(N=O)=C1O 897 [0,2,0,0,0,0|1,0,1]=4 98 B11R1.278 O=CC1=C(O)C(O)=C(O)C=C1 15492 [0,2,0,0,0,0|0,0,2]=4 99 B11R1.14 O=CC1=CC(Br)=C(O)C(Br)=C1 15694 [0,2,0,0,0,0|0,0,2]=4 100 B11R1.280 COC1=CC(CN)=CC=C1O 15578 [0,2,0,0,0,0|1,0,0]=3 101 B9R2.50 C1=CC=C2CCC2=C1 16437 [1,0,0,1,0,0|1,0,0]=3 102 B11R2.36 BrC1=CC=C2CC=CC2=C1 19937 [0,1,0,1,0,0|2,0,0]=4 103 B11R2.117 CC1=CC=C2CC(=O)C2=C1 16222 [0,1,0,1,0,0|1,0,1]=4 104 B11R2.190 COC1=CC=C2CCC2=C1 16570 [0,1,0,1,0,0|1,0,0]=3 105 B11R2.610 CC1=CC(C)=C2CCC2=C1 16692 [0,1,0,1,0,0|2,0,0]=4