0 B13R2.57 COC1=CC=C2CCNCC2=C1 15466 [0,0,0,0,0,0|1,0,3]=4 1 B13R2.57 COC1=CC=C2CCNCC2=C1 15469 [0,0,0,0,0,0|1,0,3]=4 2 B13R2.57 N#CC1=CC2=C(C=CC=C2)N=C1 20712 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.57 OCC1=CC2=C(C=CC=C2)C=C1 20619 [0,0,0,0,0,0|2,0,0]=2 4 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 101960 [1,0,0,0,0,0|2,0,0]=3 5 B12R2.24 CC1=CC2=CC=CC=C2C=N1 16471 [1,0,0,0,0,0|1,0,0]=2 6 B12R2.24 C[N+]1=CC2=CC=CC=C2C=C1 15360 [1,0,0,0,0,0|1,0,0]=2 7 B12R2.24 FC1=CC2=C(C=CC=C2)N=C1 100817 [1,0,0,0,0,0|2,0,0]=3 8 B12R2.24 O=C1C=CC2=CC=CC=C2N1 101464 [1,0,0,0,0,0|1,0,1]=3 9 B14R2.92 COC1=C(C)C2=CC=CC=C2C=C1 10742 [0,1,0,0,0,0|0,0,0]=1 10 B14R2.112 OCC[N+]1=CC2=CC=CC=C2C=C1 21880 [0,1,0,0,0,0|2,0,0]=3 11 B14R2.112 O\N=CC1=CC2=C(C=CC=C2)C=C1 20653 [0,1,0,0,0,0|2,0,0]=3 12 B14R2.134 COC1=CC=C2C=NC(C)=CC2=C1 16474 [0,1,0,0,0,0|1,0,0]=2 13 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 18204 [0,1,0,0,0,0|1,0,0]=2 14 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=C1 11179 [0,1,0,0,0,0|2,0,0]=3 15 B14R2.781 O=C(O)C1=CC=C2N=CC=CC2=C1 101814 [0,1,0,0,0,0|3,0,0]=4 16 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=C1 101815 [0,1,0,0,0,0|3,0,0]=4 17 B14R2.1128 CC1=CC2=CC=CC=C2C=C1CBr 16696 [0,1,0,0,0,0|2,0,0]=3 18 B14R2.1128 CC1=CC2=CC=CC=C2C=C1CCl 16695 [0,1,0,0,0,0|2,0,0]=3 19 B14R2.1128 COC1=C(O)C=C2C=NC=CC2=C1 15459 [0,1,0,0,0,0|1,0,0]=2 20 B14R2.1128 N#CC1=CC2=C(C=CC=C2)OC1=N 18903 [0,1,0,0,0,0|3,0,0]=4 21 B14R2.1128 N#CC1=CC2=C(C=CC=C2)OC1=O 18904 [0,1,0,0,0,0|3,0,0]=4 22 B14R2.1128 O=CC1=NC2=CC=CC=C2C=C1F 101647 [0,1,0,0,0,0|3,0,0]=4 23 B14R2.1801 COC1=CC=C2C(=O)C=CCC2=C1 18216 [0,1,0,0,0,0|0,0,1]=2 24 B14R2.1801 COC1=CC=C2C(=O)CCCC2=C1 18374 [0,1,0,0,0,0|0,0,3]=4 25 B14R2.1801 NCC1=CC2=CC=CC(Br)=C2C=C1 12122 [0,1,0,0,0,0|2,0,0]=3 26 B14R2.1801 NCC1=CC2=CC=CC(Br)=C2C=C1 12123 [0,1,0,0,0,0|2,0,0]=3 27 B14R2.1801 O=CC1=CC2=CC=CC(Br)=C2C=C1 12117 [0,1,0,0,0,0|2,0,0]=3 28 B12R1.27 CCC(O)\C=C\C1=CC=CC=C1 100526 [0,0,1,0,0,0|2,0,1]=4 29 B12R1.27 COC(=O)CCC1=CC=CC=C1 19761 [0,0,1,0,0,0|1,0,2]=4 30 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 103161 [0,0,1,0,0,0|1,0,0]=2 31 B12R1.27 COC(=O)\C=C\C1=CC=CN=C1 19785 [0,0,1,0,0,0|2,0,0]=3 32 B12R1.71 C=C\C=C/C1=CC=C(C#N)C=C1 100545 [0,0,1,0,0,0|2,0,0]=3 33 B12R1.71 C=C\C=C\C1=CC=C(OC)C=C1 100513 [0,0,1,0,0,0|0,0,0]=1 34 B12R2.1 COC1=CCC2=CC=CC=C21 16665 [0,0,0,0,1,0|0,0,1]=2 35 B12R2.32 N#CC1=CC2=CC=CC=C2C1 16646 [0,0,0,0,1,0|2,0,1]=4 36 B11R1.28 CCC\C=C\C1=CC=CC=C1 100517 [1,0,1,0,0,0|1,0,1]=4 37 B11R1.28 C\C=C\C=C/C1=CC=CC=C1 100530 [1,0,1,0,0,0|1,0,0]=3 38 B11R1.91 C=C(C)\C=C/C1=CC=CC=C1 100560 [1,0,1,0,0,0|0,0,0]=2 39 B11R1.91 C=C(C)\C=C\C1=CC=CC=C1 100556 [1,0,1,0,0,0|0,0,0]=2 40 B11R1.91 CC(C)\C=C/C1=CC=CC=C1 100514 [1,0,1,0,0,0|0,0,2]=4 41 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 12253 [1,0,1,0,0,0|1,0,0]=3 42 B11R1.83 O\N=C/C1=CC=C(OC)C=C1 20664 [1,0,1,0,0,0|2,0,0]=4 43 B11R1.40 CC\C(C)=C/C1=CC=CC=C1 100800 [1,0,1,0,0,0|0,0,2]=4 44 B11R1.40 CC\C(I)=C/C1=CC=CC=C1 102669 [1,0,1,0,0,0|2,0,0]=4 45 B11R1.40 COC(=S)NC1=CC=CC=C1 10045 [1,0,1,0,0,0|2,0,0]=4 46 B11R2.20 C1=CC=C2C=NC=CC2=C1 101921 [2,0,0,0,0,0|1,0,0]=3 47 B11R2.20 C1=CC=C2N=CC=CC2=C1 101934 [2,0,0,0,0,0|1,0,0]=3 48 B11R2.20 C1=CC=C2OCC=CC2=C1 16689 [2,0,0,0,0,0|1,0,1]=4 49 B13R1.14 COC(=O)\C=C\C1=CC=C(C)C=C1 20344 [0,1,1,0,0,0|1,0,0]=3 50 B13R1.15 COC(=O)\C=C\C1=CC=CC(Cl)=C1 20343 [0,1,1,0,0,0|1,0,0]=3 51 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 100971 [0,1,1,0,0,0|1,0,0]=3 52 B13R1.417 COC(=CCC1=CC=CC=C1)OC 100955 [0,1,1,0,0,0|0,0,2]=4 53 B13R1.3 COC1=CC=C(C=CC(=O)O)C=C1 13413 [0,1,1,0,0,0|1,0,0]=3 54 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 17095 [0,1,1,0,0,0|1,0,0]=3 55 B13R1.371 C\C=C\C=C\C1=CC=C(C#N)C=C1 100550 [0,1,1,0,0,0|2,0,0]=4 56 B13R1.79 CCO\C(C=O)=C/C1=CC=CC=C1 100958 [0,1,1,0,0,0|1,0,0]=3 57 B13R1.158 CC(C)=C\C=C/C1=C(Cl)C=CC=C1 100539 [0,1,1,0,0,0|2,0,0]=4 58 B13R1.158 CC(C)=C\C=C/C1=C(F)C=CC=C1 100791 [0,1,1,0,0,0|2,0,0]=4 59 B13R1.158 CC(C)=C\C=C/C1=CC=CC=C1Br 100520 [0,1,1,0,0,0|2,0,0]=4 60 B13R1.158 CC(C)=C\C=C/C1=CC=CC=C1C 100516 [0,1,1,0,0,0|1,0,1]=4 61 B13R2.32 CC1=[N+](C)C2=CC=CC=C2C=C1 12227 [1,1,0,0,0,0|1,0,0]=3 62 B13R2.32 CC1=[N+](C)C2=CC=CC=C2C=C1 12229 [1,1,0,0,0,0|1,0,0]=3 63 B13R2.32 FC1=C(Br)C2=CC=CC=C2N=C1 101669 [1,1,0,0,0,0|2,0,0]=4 64 B13R2.32 FC1=C(I)C=CC2=CC=CC=C21 102037 [1,1,0,0,0,0|1,0,0]=3 65 B13R2.162 ClC1=NC2=C(Br)C=CC=C2C=C1 102068 [1,1,0,0,0,0|2,0,0]=4 66 B13R2.162 NC1=CC=CC2=CC=C(O)C=C12 10608 [1,1,0,0,0,0|0,0,0]=2 67 B13R2.162 O=C1C=CC2=CC=CC(Br)=C2N1 101529 [1,1,0,0,0,0|1,0,1]=4 68 B13R2.328 FC1=CC(I)=CC2=CC=CC=C12 102038 [1,1,0,0,0,0|1,0,0]=3 69 B13R2.328 NC1=CC(=O)OC2=CC=CC=C12 18942 [1,1,0,0,0,0|1,0,1]=4 70 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 20203 [1,1,0,0,0,0|1,0,1]=4 71 B13R2.369 CC1=NC2=CC=CC=C2NC1=O 20935 [1,1,0,0,0,0|2,0,0]=4 72 B13R2.369 FC1=CC2=CC=CC=C2N=C1Br 101673 [1,1,0,0,0,0|2,0,0]=4 73 B13R2.369 O=C1NC2=CC=CC=C2C=C1F 101471 [1,1,0,0,0,0|1,0,1]=4 74 B13R2.369 O=C1OC2=CC=CC=C2C=C1F 101385 [1,1,0,0,0,0|1,0,1]=4 75 B13R2.369 O=C1SC2=CC=CC=C2C=C1F 102676 [1,1,0,0,0,0|1,0,1]=4 76 B13R2.3683 BrC1=CC=C2N=C(Br)C=CC2=C1 101288 [1,1,0,0,0,0|2,0,0]=4 77 B13R2.3683 ClC1=NC2=CC=C(Br)C=C2C=C1 101286 [1,1,0,0,0,0|2,0,0]=4 78 B13R2.3683 NC1=CC=C2C=C(N)C=CC2=C1 10795 [1,1,0,0,0,0|1,0,0]=3 79 B13R2.3683 NC1=CC=C2C=C(O)C=CC2=C1 10794 [1,1,0,0,0,0|0,0,0]=2 80 B13R2.3683 O=C1C=CC2=CC(=O)C=CC2=C1 15145 [1,1,0,0,0,0|0,0,1]=3 81 B13R2.3683 O=C1C=CC2=CC(Br)=CC=C2N1 101291 [1,1,0,0,0,0|1,0,1]=4 82 B13R2.3683 OC1=CC2=CC=C(Cl)C=C2C=C1 10896 [1,1,0,0,0,0|0,0,0]=2 83 B13R2.5179 FC1=CC2=CC=CC(Br)=C2N=C1 101644 [1,1,0,0,0,0|2,0,0]=4 84 B13R2.1 NCCC1=CNC2=CC=CC=C12 20782 [0,1,0,0,1,0|2,0,0]=4 85 B13R2.72 CC(=O)C1=CNC2=CC=CC=C21 16091 [0,1,0,0,1,0|2,0,0]=4 86 B13R2.135 CCC1=C(C)NC2=CC=CC=C21 16096 [0,1,0,0,1,0|2,0,0]=4 87 B13R2.2931 COC1=CC(C)C2=CC=CC=C12 16639 [0,1,0,0,1,0|0,0,1]=3 88 B13R2.2931 COC1C=C(C)C2=CC=CC=C21 16647 [0,1,0,0,1,0|0,0,1]=3 89 B13R2.2931 COC1OC(=O)C2=CC=CC=C21 16017 [0,1,0,0,1,0|1,0,1]=4 90 B13R2.45 CCC1=C(C)C2=CC=CC=C2N1 16059 [0,1,0,0,1,0|2,0,0]=4 91 B13R2.435 CC(=O)C1=CC2=CC=CC=C2C1 12203 [0,1,0,0,1,0|1,0,1]=4 92 B15R2.1846 CCC1=CC2=CC=CC=C2C=CC1=O 15119 [0,1,0,0,0,1|1,0,0]=3 93 B15R2.627 CC1=C(C(=O)O)C=CC2=CC=CC=C21 15250 [0,2,0,0,0,0|2,0,0]=4 94 B15R2.627 O=C(O)C1=C(F)C2=CC=CC=C2C=C1 101267 [0,2,0,0,0,0|2,0,0]=4 95 B15R2.19973 CNC1=CC(=O)C2=C(C=CC=C2)C1=O 20725 [0,2,0,0,0,0|1,0,0]=3 96 B15R2.1668 O=C(O)CC1=CC2=CC=CC=C2C=C1 18224 [0,2,0,0,0,0|1,0,1]=4 97 B15R2.54379 O\N=C/C1=CC2=CC=CC(Br)=C2C=C1 12119 [0,2,0,0,0,0|2,0,0]=4 98 B15R2.21336 COC1=CC2=C(C=C1)NC(=O)C(F)=C2 102561 [0,2,0,0,0,0|1,0,0]=3 99 B15R2.21336 COC1=CC=C2C=C(F)C(Br)=NC2=C1 101662 [0,2,0,0,0,0|1,0,0]=3 100 B15R2.2393 COC1=NC2=C(F)C=CC=C2C=C1F 101468 [0,2,0,0,0,0|1,0,0]=3 101 B15R2.984 CC(=O)C1=CC2=CC=CC=C2OC1=O 14603 [0,2,0,0,0,0|2,0,0]=4 102 B15R2.4441 FC(F)(F)C1=CC2=CC=CC=C2C=C1 101062 [0,2,0,0,0,0|2,0,0]=4 103 B15R2.14951 O=C(O)C1=CC2=CC=CC=C2C(F)=C1 102049 [0,2,0,0,0,0|2,0,0]=4 104 B15R2.2039 COC1=C(O)C=C2C(=C1)C=CN=C2C 15371 [0,2,0,0,0,0|1,0,0]=3 105 B15R2.4780 COC1=CC=C2C=C(C=O)C=CC2=C1 18223 [0,2,0,0,0,0|0,0,0]=2 106 B15R2.4780 COC1=CC=C2C=C(OC)C=CC2=C1 10891 [0,2,0,0,0,0|0,0,0]=2 107 B13R2.2112 COC1=CC=C2C(=O)C(=O)C2=C1 16298 [0,0,1,1,0,0|2,0,0]=4 108 B13R2.3893 BrC1C2=CC=CC=C1C=CC=C2 15160 [0,0,1,1,0,0|2,0,0]=4 109 B13R2.3893 FC1C2=CC=CC=C1C=CC=C2 15150 [0,0,1,1,0,0|2,0,0]=4 110 B13R3.2262 C1=CC=C2C(=C1)C=CC23CC3 19940 [0,0,0,1,1,0|1,0,1]=4 111 B15R3.485 O=C1CC2=C3C=CC=CC3=CC=C12 16229 [0,1,0,1,0,0|1,0,0]=3 112 B15R3.15114 O=C1CC2=CC=C3C=CC=CC3=C12 16228 [0,1,0,1,0,0|1,0,1]=4 113 B11R2.1 CC1=CCC2=CC=CC=C12 16664 [1,0,0,0,1,0|0,0,1]=3 114 B11R2.1 CC1C=CC2=CC=CC=C21 16652 [1,0,0,0,1,0|0,0,1]=3 115 B11R2.10 CC1=NC2=CC=CC=C2N1 11720 [1,0,0,0,1,0|2,0,0]=4 116 B11R2.36 BrC1=CC=C2CC=CC2=C1 19937 [1,0,0,0,1,0|1,0,1]=4 117 B11R2.190 COC1=CC=C2CCC2=C1 16570 [0,0,0,0,2,0|0,0,2]=4 118 B13R1.718 COC(=O)\C=C\NC1=CC=CC=C1 13317 [0,0,1,0,0,1|1,0,0]=3