0 B10R1.4 CNCC1=CC=CC=C1Cl 060304 [0,0,0,0,0,0|2,1,0]=3 1 B10R1.4 N#CSC1=C(Br)C=CC=C1 005336 [0,0,0,0,0,0|1,1,2]=4 2 B10R1.4 [O-][N+]1=CC=CC=C1CCO 180119 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.8 CCC[N+]1=CC=CC=C1 243010 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.8 CCOC1=CC=CN=C1 180053 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.8 N#CC[N+]1=CC=CC=C1 181003 [1,0,0,0,0,0|1,0,2]=4 6 B9R1.15 C#CC1=CC=CC=C1O 222906 [1,0,0,0,0,0|1,0,2]=4 7 B9R1.15 CCC1=C(F)C=CC=C1 037698 [1,0,0,0,0,0|0,0,0]=1 8 B9R1.15 NCC1=CC=CC=C1Cl 209763 [1,0,0,0,0,0|0,1,0]=2 9 B11R1.13 CC1=CC=CC(N=C=O)=C1F 102259 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.13 O=C=NC1=CC=CC(F)=C1F 102269 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.17 CC1=C(CCCO)C=CN=C1 180193 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.17 CC1=CC=CC=C1OCCN 057697 [0,1,0,0,0,0|1,0,0]=2 13 B11R1.17 CCCSC1=C(Cl)C=CC=C1 094634 [0,1,0,0,0,0|1,1,0]=3 14 B11R1.17 COCCC1=[N+]([O-])C=CC=C1 180207 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.17 N#CCSC1=C(Cl)C=CC=C1 097737 [0,1,0,0,0,0|0,1,2]=4 16 B11R1.41 CCSC1=C(CC)C=CC=C1 094764 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.41 CCSC1=C(OC)C=CC=C1 094905 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.41 N#CC1=CC=CC=C1CCO 043962 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.81 CC1=CC(F)=C(N=C=O)C=C1 102266 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.81 CCNC1=CC=C(Cl)C=C1N 017139 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.81 CCOC1=C(F)C=C(Br)C=C1 070618 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.81 CCOC1=C(F)C=C(I)C=C1 038780 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.81 CCOC1=C(F)C=C(N)C=C1 038781 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.182 CCOC1=C(I)C=CC(Br)=C1 038699 [0,1,0,0,0,0|2,1,0]=4 25 B11R1.182 CCSC1=C(C)C=CC(C)=C1 094808 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.182 CCSC1=C(Cl)C=CC(Cl)=C1 095076 [0,1,0,0,0,0|2,1,0]=4 27 B11R1.605 CC1=CC=CC(F)=C1N=C=O 102267 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.605 CC1=CC=CC(F)=C1N=C=S 102430 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.605 OCCC1=C(F)C=CC=C1F 233833 [0,1,0,0,0,0|1,0,0]=2 30 B11R2.106 CC1=CC=CC2=C1N=NN2 043047 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.33 CN1C=CN=C1CCN 311105 [0,0,0,0,1,0|3,0,0]=4 32 B10R1.1 CC1=CN=C(CCO)C=C1 032578 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.10 C=CCC1=CC(Br)=CC=C1 200068 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.10 CC1=CC=CC(CCBr)=C1 020899 [1,1,0,0,0,0|1,0,0]=3 35 B10R1.10 CCCC1=CC(N)=NC=C1 024686 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.10 CCSC1=CC(C)=CC=C1 094840 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.10 CCSC1=CC(Cl)=CC=C1 095029 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.10 CNCC1=CC=CC(Cl)=C1 222557 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.10 [C-]#[N+]CC1=CC=CC(Cl)=C1 021061 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.15 CCC(C)C1=NC=CC=C1 102205 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.15 OC(CF)c1ccccc1 195755 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.15 [C-]#[N+][C@@H](C)C1=CC=CC=C1 021085 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.17 CCCCC1=CC=CC=N1 180367 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.17 N#CCCC1=CC=NC=C1 024695 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.17 NCCOC1=CN=CC=C1 044845 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.17 O\N=C\CC1=CC=CC=C1 180100 [1,1,0,0,0,0|0,0,2]=4 47 B10R1.2 CC1=C(F)C=CC=C1CBr 342591 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.2 CCC1=CC=CC(C)=C1I 038641 [1,1,0,0,0,0|0,1,0]=3 49 B10R1.2 CNC1=CC=CC(F)=C1F 045885 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.2 COC1=C(Cl)C(F)=CC=C1 038293 [1,1,0,0,0,0|1,1,0]=4 51 B10R1.2 COC1=CC=CC(F)=C1S 043182 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.20 CCC1=CC=CC=C1CBr 246564 [1,1,0,0,0,0|0,1,0]=3 53 B10R1.25 C#CC1=CC=C(Cl)C=C1F 046009 [1,1,0,0,0,0|0,0,2]=4 54 B10R1.25 C#CC1=CC=C(N)C=C1F 045991 [1,1,0,0,0,0|0,0,2]=4 55 B10R1.25 COC1=C(Br)C=C(S)C=C1 038040 [1,1,0,0,0,0|1,1,0]=4 56 B10R1.25 COC1=C(Cl)C=C(S)C=C1 038033 [1,1,0,0,0,0|1,1,0]=4 57 B10R1.25 COC1=C(S)C=C(Br)C=C1 038041 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.25 COC1=CC=C(F)C=C1I 075745 [1,1,0,0,0,0|1,1,0]=4 59 B10R1.25 COC1=CC=C(S)C=C1C 038027 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.25 COC1=CC=C(S)C=C1F 023073 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.25 CSC1=C(Cl)C=C(Cl)C=C1 019344 [1,1,0,0,0,0|1,1,0]=4 62 B10R1.25 FC1=CC(F)=C(CS)C=C1 024358 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.30 C#CC1=CC(F)=CC=C1F 046033 [1,1,0,0,0,0|0,0,2]=4 64 B10R1.30 CC1=C(CO)C=C(Br)C=C1 403122 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.30 CCC1=C(F)C=CC(F)=C1 105468 [1,1,0,0,0,0|0,0,0]=2 66 B10R1.30 COC1=CC(C)=CC=C1I 038666 [1,1,0,0,0,0|1,1,0]=4 67 B10R1.30 FC1=CC(CS)=C(F)C=C1 024359 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.30 OCC1=CC(Br)=CC=C1Br 229556 [1,1,0,0,0,0|1,1,0]=4 69 B10R1.30 OCC1=CC(F)=NC=C1F 103449 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.61 FC1=CC=CN=C1C(F)F 099827 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.245 COC1=C(I)C=CC=C1C 038816 [1,1,0,0,0,0|1,1,0]=4 72 B12R1.25 CC1=CC=CC(OCCN)=C1C 059191 [0,2,0,0,0,0|1,0,0]=3 73 B12R1.69 CC1=CC(C)=C(OCCN)C=C1 060050 [0,2,0,0,0,0|1,0,0]=3 74 B12R1.69 CCCSC1=C(Cl)C=C(Cl)C=C1 094718 [0,2,0,0,0,0|1,1,0]=4 75 B12R1.69 FC1=CC(F)=C(CN=C=S)C=C1 034874 [0,2,0,0,0,0|1,0,1]=4 76 B12R1.69 N#CCSC1=C(F)C=C(F)C=C1 004865 [0,2,0,0,0,0|0,0,2]=4 77 B12R1.69 NNCCC1=C(Cl)C=C(Cl)C=C1 034573 [0,2,0,0,0,0|0,1,0]=3 78 B12R1.69 O=CNCC1=C(F)C=C(F)C=C1 104499 [0,2,0,0,0,0|1,0,1]=4 79 B12R1.121 CCCSC1=C(OC)C=CC=C1 094827 [0,2,0,0,0,0|2,0,0]=4 80 B12R1.267 CCCNCC1=CC=CC=C1C 042936 [0,2,0,0,0,0|2,0,0]=4 81 B12R1.371 CNC(=O)CC1=C(Cl)C=CC=C1 505690 [0,2,0,0,0,0|0,1,1]=4 82 B12R1.1631 FC1=C(CN=C=S)C(Cl)=CC=C1 037312 [0,2,0,0,0,0|1,0,1]=4 83 B12R1.1631 NNCCC1=C(Cl)C=CC=C1Cl 034527 [0,2,0,0,0,0|0,1,0]=3 84 B12R1.1631 [C-]#[N+]CCC1=C(Cl)C=CC=C1Cl 021101 [0,2,0,0,0,0|0,1,1]=4 85 B12R1.233 CC(C)OC1=C(F)C=C(N)C=C1 038778 [0,2,0,0,0,0|2,0,0]=4 86 B12R1.233 NC(=O)CC1=C(F)C=C(Cl)C=C1 102743 [0,2,0,0,0,0|0,0,1]=3 87 B12R1.233 NC(=O)NC1=C(F)C=C(Br)C=C1 432428 [0,2,0,0,0,0|1,0,1]=4 88 B12R1.233 O=C(Cl)CC1=CC=C(Cl)C=C1F 070168 [0,2,0,0,0,0|1,0,1]=4 89 B12R1.1095 CCOC1=C(Cl)C=C(Br)C=C1F 098480 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.1123 NCCC1=C(O)C=C(O)C(O)=C1 242528 [0,2,0,0,0,0|1,0,0]=3 91 B12R1.127 CC(C)OC1=C(F)C=CC(Br)=C1 095150 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.127 CC(C)OC1=C(F)C=CC(Cl)=C1 097736 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.127 O=C(Cl)CC1=CC(F)=CC=C1F 014716 [0,2,0,0,0,0|1,0,1]=4 94 B12R1.151 NS(=O)(=O)CC1=C(Br)C=CC=C1 034684 [0,2,0,0,0,0|1,1,0]=4 95 B10R2.6 C1=CC(C2CC2)=CC=N1 024707 [1,0,0,1,0,0|2,0,0]=4 96 B12R2.82 OC1=C(F)C2=C(C=C1)NC=C2 209060 [0,1,0,1,0,0|0,0,2]=4 97 B12R2.1081 CC1CCNC2=C1C=CC=C2 320047 [0,1,0,1,0,0|2,0,0]=4 98 B12R2.24 CC1COC2=CC=CC=C2N1 068859 [0,1,0,1,0,0|2,0,0]=4 99 B12R2.203 OC1=NNC2=CC=CC(F)=C21 075034 [0,1,0,1,0,0|1,0,1]=4