0 B11R1.22 ON=C(Cl)C1=CC=C(Cl)C=C1 20114 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.1 CCOC1=CC=C(Br)C=C1 100870 [1,0,0,0,0,0|3,0,0]=4 2 B10R1.1 NCCC1=CC=C(O)C=C1 15431 [1,0,0,0,0,0|2,0,1]=4 3 B10R1.1 NCCC1=CC=C(O)C=C1 17135 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.1 O\N=CC1=CC=C(Br)C=C1 20648 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.1 O\N=CC1=CC=C(C)C=C1 20713 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.1 O\N=C\C1=CC=C(Cl)C=C1 19845 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.1 O\N=C\C1=CC=C(O)C=C1 15709 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.13 CC1=CC=C(C(=O)O)C=C1 15778 [1,0,0,0,0,0|1,0,0]=2 9 B10R1.13 CN(C)C1=CC=C(F)C=C1 102911 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.13 NC(=O)C1=CC=C(Cl)N=C1 20768 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.13 O=C(O)C1=CC=C(F)C=C1 101191 [1,0,0,0,0,0|1,0,0]=2 12 B10R1.13 O=C(O)C1=CC=C(F)C=N1 100749 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.13 O=C(O)C1=CC=C(O)C=C1 15302 [1,0,0,0,0,0|0,0,0]=1 14 B10R1.13 O=C(O)C1=CN=C(F)C=C1 100678 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 101615 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 20068 [1,0,0,0,0,0|1,0,1]=3 17 B10R1.15 C#CC(=O)C1=CC=CC=C1 20316 [1,0,0,0,0,0|1,0,1]=3 18 B10R1.15 CNC(=O)C1=CC=CC=C1 20760 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.15 C\C(=C/Cl)C1=CC=CC=C1 103092 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.15 C\C(=N/O)C1=CC=CC=C1 16747 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.15 C\C=C(\C)C1=CC=CC=C1 103072 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.15 N\C(=N\O)C1=CC=CC=C1 12254 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.15 O=C(CBr)C1=CC=CC=C1 18427 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.15 O\N=C(\O)C1=CC=CC=C1 12250 [1,0,0,0,0,0|2,0,1]=4 25 B12R1.5 COC(=O)C1=CC=C(C#N)C=C1 11835 [0,1,0,0,0,0|1,0,0]=2 26 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 15303 [0,1,0,0,0,0|0,0,0]=1 27 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 100166 [0,1,0,0,0,0|2,0,0]=3 28 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 20913 [0,1,0,0,0,0|2,0,0]=3 29 B12R1.5 NNC(=O)C1=CC=C(CBr)C=C1 17357 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.5 O\N=C(\C)C1=CC=C(OC)C=C1 20505 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 523 [0,1,0,0,0,0|1,0,0]=2 32 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 15716 [0,1,0,0,0,0|0,0,0]=1 33 B10R1.14 COC(=O)C1=CC(C)=NN1 16675 [0,0,0,0,1,0|3,0,0]=4 34 B10R1.14 COC(=O)C1=NNC(C)=C1 19851 [0,0,0,0,1,0|3,0,0]=4 35 B10R1.14 COC(=O)N1=CC=C(C)N1 16785 [0,0,0,0,1,0|3,0,0]=4 36 B10R1.14 COC(=O)N1C=CC(C)=N1 16687 [0,0,0,0,1,0|3,0,0]=4 37 B12R1.49 CSC(S)=NC1=CC=C(Br)C=C1 21460 [0,0,0,0,0,1|1,2,0]=4 38 B12R1.49 CSC(S)=NC1=CC=C(C)C=C1 21456 [0,0,0,0,0,1|1,2,0]=4 39 B12R1.49 CSC(S)=NC1=CC=C(Cl)C=C1 21455 [0,0,0,0,0,1|1,2,0]=4 40 B12R1.49 CSC(S)=NC1=CC=C(N)C=C1 21457 [0,0,0,0,0,1|1,2,0]=4 41 B9R1.1 NC1=CC=C(C=O)C=C1 15833 [2,0,0,0,0,0|1,0,0]=3 42 B9R1.1 O=CC1=CC=C(O)C=C1 15844 [2,0,0,0,0,0|0,0,0]=2 43 B9R1.1 O=NC1=CC=C(Br)C=C1 18679 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.8 Br\C=C/C1=CC=CC=C1 102665 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.8 COCC1=CC=CC=C1 102522 [2,0,0,0,0,0|0,0,1]=3 46 B9R1.8 C\C=C/C1=CC=CC=C1 103008 [2,0,0,0,0,0|1,0,0]=3 47 B9R1.8 F\C=C\C1=CC=CC=C1 102664 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.8 I\C=C\C1=CC=CC=C1 103084 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.6 O=C(O)C1=CC=CC=C1 15736 [2,0,0,0,0,0|0,0,0]=2 50 B9R1.6 O=C(O)C1=CC=CN=C1 20778 [2,0,0,0,0,0|1,0,0]=3 51 B11R1.1 CCCCC1=CC=C(O)C=C1 17214 [1,1,0,0,0,0|1,0,1]=4 52 B11R1.1 CCCOC1=CC=C(O)C=C1 17213 [1,1,0,0,0,0|1,0,1]=4 53 B11R1.1 COCOC1=CC=C(Cl)C=C1 102904 [1,1,0,0,0,0|1,0,1]=4 54 B11R1.1 COCOC1=CC=C(F)C=C1 100828 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.20 CC(C)CC1=CC=C(O)C=C1 17197 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.83 O\N=C/C1=CC=C(OC)C=C1 20664 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 17245 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.3 O=C(Cl)C1=CC=C(CBr)C=C1 22026 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.3 O=C(O)C1=CC=C([Hg]Cl)C=C1 20772 [1,1,0,0,0,0|1,0,0]=3 60 B11R1.21 O=C(O)C1=CC=C(Cl)C(F)=N1 100669 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=N1 100748 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.21 O=C(O)C1=CC=C(F)C(F)=N1 100666 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.21 O=C(O)C1=CC=C(O)C(O)=C1 21496 [1,1,0,0,0,0|0,0,0]=2 64 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 100661 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.166 CC1=CC(F)=C(C(=O)O)C=C1 102172 [1,1,0,0,0,0|1,0,0]=3 66 B11R1.166 CC1=CC=C(C(=O)Cl)C(C)=C1 16799 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.166 CC1=CC=C(C(=O)O)C(C)=C1 15222 [1,1,0,0,0,0|1,0,0]=3 68 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=N1 100668 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.166 O=C(O)C1=C(F)C=C(Br)C=C1 101300 [1,1,0,0,0,0|1,0,0]=3 70 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=N1 100667 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 101178 [1,1,0,0,0,0|1,0,0]=3 72 B11R1.166 O=C(O)C1=CC=C(Cl)C=C1O 101171 [1,1,0,0,0,0|1,0,0]=3 73 B11R1.166 O=C(O)C1=CC=C(F)C=C1F 102048 [1,1,0,0,0,0|1,0,0]=3 74 B11R1.166 O=C(O)C1=CC=C(F)N=C1F 100238 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.166 O=C(O)C1=CC=C(I)C=C1F 102972 [1,1,0,0,0,0|1,0,0]=3 76 B11R1.166 O=C(O)C1=CC=C(O)C=C1Cl 101155 [1,1,0,0,0,0|0,0,0]=2 77 B11R1.166 O=C(O)C1=CC=C(O)C=C1F 101158 [1,1,0,0,0,0|0,0,0]=2 78 B11R1.166 O=C(O)C1=CN=C(F)C=C1F 100664 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Cl 100084 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.16 N#CCC(=O)C1=CC=CC=C1 502 [1,1,0,0,0,0|1,0,1]=4 81 B11R1.16 O=C(\C=C/[O-])C1=CC=CC=C1 12193 [1,1,0,0,0,0|1,0,1]=4 82 B11R1.16 O=C(\C=C/[O-])C1=CC=CC=C1 12194 [1,1,0,0,0,0|1,0,1]=4 83 B11R1.222 COC(=O)C1=NC=CC=C1F 100739 [1,1,0,0,0,0|1,0,0]=3 84 B13R1.5 COC1=CC=C(\N=C(\S)SC)C=C1 21462 [0,1,0,0,0,1|0,2,0]=4 85 B13R1.133 CC(=O)C(=O)NC1=CC=C(Br)C=C1 545 [0,1,0,0,0,1|2,0,0]=4 86 B13R1.133 CC(=O)C(=O)NC1=CC=C(C)C=C1 1364 [0,1,0,0,0,1|2,0,0]=4 87 B13R1.133 CC(=O)C(=O)NC1=CC=C(Cl)C=C1 1362 [0,1,0,0,0,1|2,0,0]=4 88 B13R1.133 CC(=O)C(=O)NC1=CC=C(I)C=C1 1363 [0,1,0,0,0,1|2,0,0]=4 89 B13R1.452 CCOC(=O)C1=NC=C(OC)C=C1 13744 [0,2,0,0,0,0|1,0,0]=3 90 B13R1.537 COC(=O)C1=CC=C(C(C)=O)C=C1 101217 [0,2,0,0,0,0|0,0,1]=3 91 B13R1.537 COC(=O)C1=CC=C([N+](=O)[O-])C=C1 17205 [0,2,0,0,0,0|0,0,1]=3 92 B13R1.537 O=C(O)C1=CC=C(C(=O)CBr)C=C1 22031 [0,2,0,0,0,0|2,0,0]=4 93 B13R1.1807 COC(=O)C1=C(Cl)C=C(F)C(Br)=N1 100677 [0,2,0,0,0,0|2,0,0]=4 94 B13R1.1808 COC(=O)C1=CC=C(I)C(I)=C1F 102060 [0,2,0,0,0,0|1,0,0]=3 95 B11R2.363 CC1=CC=C2C(=O)CC2=C1 16221 [1,0,0,1,0,0|1,0,0]=3 96 B11R2.1 CC1=CCC2=CC=CC=C12 16664 [1,0,0,1,0,0|2,0,0]=4 97 B11R2.54 O=C1C(=O)C2=CC=CC=C12 16264 [1,0,0,1,0,0|2,0,0]=4 98 B11R2.54 O=C1C2=CC=CC=C2C1Cl 16693 [1,0,0,1,0,0|2,0,0]=4 99 B13R2.2112 COC1=CC=C2C(=O)C(=O)C2=C1 16298 [0,1,0,1,0,0|2,0,0]=4 100 B11R1.40 CC\C(C)=C/C1=CC=CC=C1 100800 [1,0,0,0,0,1|2,0,0]=4 101 B11R1.40 CC\C(I)=C/C1=CC=CC=C1 102669 [1,0,0,0,0,1|2,0,0]=4 102 B11R1.40 COC(=S)NC1=CC=CC=C1 10045 [1,0,0,0,0,1|0,1,0]=3 103 B13R1.14 CCC(=O)CCC1=CC=C(O)C=C1 102151 [0,0,0,0,0,2|1,0,0]=3 104 B13R1.14 COC(=O)\C=C\C1=CC=C(C)C=C1 20344 [0,0,0,0,0,2|1,0,0]=3