0 B13R2.57 BrCC1=CC=C2C=CC=CC2=C1 SBB096089 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.57 C(=O)C1=CC2=C(C=CC=C2)C=C1 SBB058891 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.57 CCC1=CC=C2C=CC=CC2=C1 SBB061449 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.57 COC1=CC2=C(C=C1)CNCC2 SBB019152 [0,0,0,0,0,0|2,0,2]=4 4 B13R2.57 COC1=CC2=C(C=C1)N=CC=C2 SBB008352 [0,0,0,0,0,0|0,0,0]=0 5 B13R2.57 COC1=CC=C2C=CC=CC2=C1 SBB060603 [0,0,0,0,0,0|1,0,0]=1 6 B13R2.57 COC1=CC=C2NCCCC2=C1 SBB002326 [0,0,0,0,0,0|0,0,4]=4 7 B13R2.57 CSC1=CC2=CC=CC=C2C=C1 SBB088950 [0,0,0,0,0,0|1,1,0]=2 8 B13R2.57 ClCC1=CC=C2C=CC=CC2=N1 SBB005573 [0,0,0,0,0,0|4,0,0]=4 9 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 SBB054957 [0,0,0,0,0,0|4,0,0]=4 10 B13R2.57 N#CC1=CC2=C(C=CC=C2)C=C1 SBB059611 [0,0,0,0,0,0|3,0,0]=3 11 B13R2.57 N#CC1=CC2=CC=CC=C2C=N1 SBB056019 [0,0,0,0,0,0|4,0,0]=4 12 B13R2.57 N#CC1=CC2=CC=CC=C2N=C1 SBB056016 [0,0,0,0,0,0|4,0,0]=4 13 B13R2.57 N#CC1=CC=C2C=CC=CC2=N1 SBB002488 [0,0,0,0,0,0|4,0,0]=4 14 B13R2.57 NCC1=CC2=C(C=C1)N=CC=C2 SBB025621 [0,0,0,0,0,0|2,0,0]=2 15 B13R2.57 NCC1=CN=C2C=CC=CC2=C1 SBB010402 [0,0,0,0,0,0|4,0,0]=4 16 B13R2.57 NCC1=NC2=C(C=CC=C2)C=C1 SBB019277 [0,0,0,0,0,0|4,0,0]=4 17 B13R2.57 NNC1=NC2=CC=CC=C2C=C1 SBB015367 [0,0,0,0,0,0|4,0,0]=4 18 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 SBB066349 [0,0,0,0,0,0|4,0,0]=4 19 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 SBB041647 [0,0,0,0,0,0|4,0,0]=4 20 B13R2.57 O=CC1=CC2=CC=CN=C2C=C1 SBB017941 [0,0,0,0,0,0|2,0,0]=2 21 B13R2.57 O=CC1=CC=C2C=CC=NC2=C1 SBB019424 [0,0,0,0,0,0|4,0,0]=4 22 B13R2.57 O=CC1=CC=C2N=CC=NC2=C1 SBB041652 [0,0,0,0,0,0|3,0,0]=3 23 B13R2.57 O=CC1=NC2=C(C=CC=C2)C=C1 SBB004007 [0,0,0,0,0,0|4,0,0]=4 24 B13R2.57 OCC1=CC2=C(C=CC=C2)N=C1 SBB025618 [0,0,0,0,0,0|4,0,0]=4 25 B12R2.24 BrC1=CC2=C(C=C1)N=CC=C2 SBB001559 [1,0,0,0,0,0|1,0,0]=2 26 B12R2.24 BrC1=CC2=C(C=CC=C2)N=C1 SBB059386 [1,0,0,0,0,0|3,0,0]=4 27 B12R2.24 BrC1=CC2=NC=CN=C2C=C1 SBB054603 [1,0,0,0,0,0|2,0,0]=3 28 B12R2.24 BrC1=CC2=NC=CN=C2N=C1 SBB054638 [1,0,0,0,0,0|3,0,0]=4 29 B12R2.24 BrC1=CC=C2C=CC=CC2=N1 SBB093967 [1,0,0,0,0,0|3,0,0]=4 30 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 SBB054600 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.24 BrC1=NC=C2C=CC=CC2=C1 SBB093966 [1,0,0,0,0,0|3,0,0]=4 32 B12R2.24 CC1=CC2=C(C=C1)N=CC=C2 SBB059125 [1,0,0,0,0,0|0,0,0]=1 33 B12R2.24 CC1=CC2=C(C=CC=N2)C=C1 SBB059301 [1,0,0,0,0,0|2,0,0]=3 34 B12R2.24 CC1=CC=C2C=CC=CC2=C1 SBB060085 [1,0,0,0,0,0|1,0,0]=2 35 B12R2.24 CC1=CC=C2N=CC=NC2=C1 SBB086354 [1,0,0,0,0,0|1,0,0]=2 36 B12R2.24 CC1=NC2=C(C=CC=C2)C=C1 SBB008939 [1,0,0,0,0,0|2,0,0]=3 37 B12R2.24 CC1=NC2=NC=CC=C2C=C1 SBB042157 [1,0,0,0,0,0|3,0,0]=4 38 B12R2.24 C[N+]1=CC=C2C=CC=CC2=C1 SBB086356 [1,0,0,0,0,0|2,0,0]=3 39 B12R2.24 ClC1=CC=C2C=CC=CC2=N1 SBB056975 [1,0,0,0,0,0|3,0,0]=4 40 B12R2.24 FC1=CC2=C(C=C1)N=CC=C2 SBB086530 [1,0,0,0,0,0|1,0,0]=2 41 B12R2.24 FC1=CC2=C(C=C1)N=CC=N2 SBB086576 [1,0,0,0,0,0|2,0,0]=3 42 B12R2.24 FC1=CC2=C(C=CC=C2)C=C1 SBB086491 [1,0,0,0,0,0|2,0,0]=3 43 B12R2.24 IC1=CC=C2N=CC=CC2=C1 SBB054593 [1,0,0,0,0,0|1,0,0]=2 44 B12R2.24 NC1=CC2=C(C=C1)N=CC=C2 SBB008124 [1,0,0,0,0,0|1,0,0]=2 45 B12R2.24 NC1=CC2=C(C=C1)N=CC=N2 SBB013496 [1,0,0,0,0,0|2,0,0]=3 46 B12R2.24 NC1=CC2=C(C=CC=C2)N=C1 SBB004125 [1,0,0,0,0,0|3,0,0]=4 47 B12R2.24 NC1=CC2=C(C=CC=C2)N=C1 SBB004128 [1,0,0,0,0,0|3,0,0]=4 48 B12R2.24 NC1=CC2=CC=CC=C2C=N1 SBB051996 [1,0,0,0,0,0|3,0,0]=4 49 B12R2.24 NC1=CC2=CN=CC=C2C=C1 SBB069969 [1,0,0,0,0,0|3,0,0]=4 50 B12R2.24 NC1=CC=C2C=CC=CC2=C1 SBB057506 [1,0,0,0,0,0|2,0,0]=3 51 B12R2.24 NC1=CC=C2N=CC=CC2=C1 SBB004130 [1,0,0,0,0,0|1,0,0]=2 52 B12R2.24 NC1=NC2=C(C=C1)N=CC=C2 SBB086414 [1,0,0,0,0,0|2,0,0]=3 53 B12R2.24 NC1=NC2=CC=CC=C2C=C1 SBB051994 [1,0,0,0,0,0|3,0,0]=4 54 B12R2.24 NC1=NC2=NC=CN=C2C=C1 SBB069995 [1,0,0,0,0,0|3,0,0]=4 55 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 SBB000094 [1,0,0,0,0,0|2,0,1]=4 56 B12R2.24 O=C1C=CC2=CC=CC=C2N1 SBB004119 [1,0,0,0,0,0|2,0,1]=4 57 B12R2.24 OC1=CC2=C(C=CC=C2)N=C1 SBB059635 [1,0,0,0,0,0|2,0,0]=3 58 B12R2.24 OC1=CC2=CC=CC=C2C=C1 SBB040896 [1,0,0,0,0,0|1,0,0]=2 59 B12R2.24 OC1=CC=C2C=CN=CC2=C1 SBB056018 [1,0,0,0,0,0|2,0,0]=3 60 B12R2.24 OC1=CC=C2N=CC=CC2=C1 SBB004117 [1,0,0,0,0,0|0,0,0]=1 61 B12R2.24 OC1=NC2=CC=CC=C2N=C1 SBB056025 [1,0,0,0,0,0|3,0,0]=4 62 B12R2.24 OC1=NC2=NC=CC=C2C=C1 SBB081927 [1,0,0,0,0,0|3,0,0]=4 63 B12R2.24 SC1=CC2=C(C=CC=C2)C=C1 SBB059269 [1,0,0,0,0,0|1,1,0]=3 64 B14R2.92 O=NC1=CC=C2C=CC=CC2=C1O SBB056835 [0,1,0,0,0,0|3,0,0]=4 65 B14R2.112 CCCC1=CC=C2C=CC=CC2=C1 SBB061520 [0,1,0,0,0,0|2,0,0]=3 66 B14R2.112 CCOC1=CC=C2C=CC=CC2=C1 SBB061201 [0,1,0,0,0,0|1,0,0]=2 67 B14R2.112 N#CCC1=CC=C2C=CC=CC2=C1 SBB067059 [0,1,0,0,0,0|2,0,1]=4 68 B14R2.112 O=C=NC1=CC2=CC=CC=C2C=C1 SBB048884 [0,1,0,0,0,0|2,0,1]=4 69 B14R2.134 CC1=CC=C2C=CC(C=O)=CC2=C1 SBB088422 [0,1,0,0,0,0|3,0,0]=4 70 B14R2.134 COC1=CC2=C(C=C1)N=CC(N)=C2 SBB051580 [0,1,0,0,0,0|0,0,0]=1 71 B14R2.134 COC1=CC=C2C=CC(O)=CC2=C1 SBB072750 [0,1,0,0,0,0|1,0,0]=2 72 B14R2.134 COC1=CC=C2CCC(=O)CC2=C1 SBB056290 [0,1,0,0,0,0|1,0,2]=4 73 B14R2.142 COC1=CC2=C(C=C1)CCCC2=O SBB069461 [0,1,0,0,0,0|1,0,2]=4 74 B14R2.142 COC1=CC2=C(C=C1)OCCC2=O SBB068527 [0,1,0,0,0,0|1,0,2]=4 75 B14R2.142 COC1=CC=C2N=CC=C(Cl)C2=C1 SBB091638 [0,1,0,0,0,0|0,0,0]=1 76 B14R2.781 CC(=O)C1=CC2=C(C=CC=C2)C=C1 SBB040253 [0,1,0,0,0,0|2,0,0]=3 77 B14R2.781 CC(C)C1=CC2=C(C=CC=C2)C=C1 SBB007801 [0,1,0,0,0,0|2,0,0]=3 78 B14R2.781 CC(O)C1=CC=C2C=CC=CC2=C1 SBB068441 [0,1,0,0,0,0|2,0,0]=3 79 B14R2.781 NC(=S)C1=CC=C2C=CC=CC2=C1 SBB090620 [0,1,0,0,0,0|3,0,0]=4 80 B14R2.781 O=C(Cl)C1=CC2=NC=CN=C2C=C1 SBB053665 [0,1,0,0,0,0|3,0,0]=4 81 B14R2.781 O=C(O)C1=CC2=C(C=C1)N=CC=N2 SBB000185 [0,1,0,0,0,0|3,0,0]=4 82 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)C=C1 SBB058791 [0,1,0,0,0,0|3,0,0]=4 83 B14R2.781 O=C(O)C1=CC2=CC=CN=C2C=C1 SBB003821 [0,1,0,0,0,0|2,0,0]=3 84 B14R2.781 O=[N+]([O-])C1=CC2=CC=CN=C2C=C1 SBB069204 [0,1,0,0,0,0|2,0,0]=3 85 B14R2.781 O=[N+]([O-])C1=CC=C2C=CC=CC2=C1 SBB061633 [0,1,0,0,0,0|3,0,0]=4 86 B14R2.781 O=[N+]([O-])C1=CC=C2N=CC=NC2=C1 SBB009870 [0,1,0,0,0,0|3,0,0]=4 87 B14R2.781 OB(O)C1=CC2=C(C=CC=C2)C=C1 SBB088564 [0,1,0,0,0,0|3,0,0]=4 88 B14R2.781 OB(O)C1=CC=C2N=CC=CC2=C1 SBB050931 [0,1,0,0,0,0|2,0,0]=3 89 B14R2.781 OB(O)C1=CC=C2N=CC=CC2=C1 SBB071306 [0,1,0,0,0,0|2,0,0]=3 90 B14R2.781 [C@@H](C)(N)C1=CC=C2C=CC=CC2=C1 SBB003846 [0,1,0,0,0,0|2,0,0]=3 91 B14R2.1019 COC1=CC2=C(N=CC=C2)C(N)=C1 SBB014274 [0,1,0,0,0,0|0,0,0]=1 92 B14R2.1128 CCC1=CC2=CC=CC=C2N=C1Cl SBB303375 [0,1,0,0,0,0|3,0,0]=4 93 B14R2.1801 COC1=CC2=C(C=C1)[N+]([O-])=CC=C2 SBB005919 [0,1,0,0,0,0|0,0,1]=2 94 B14R2.2332 CC1=CC=C2C=C(CO)C=CC2=N1 SBB088772 [0,1,0,0,0,0|2,0,0]=3 95 B14R2.2332 CC1=NC2=CC=C(C=O)C=C2C=C1 SBB066318 [0,1,0,0,0,0|2,0,0]=3 96 B14R2.2332 COC1=CC2=C(C=C1)C=C(Br)C=C2 SBB059487 [0,1,0,0,0,0|1,0,0]=2 97 B14R2.2332 COC1=CC2=C(C=C1)N=C(C)C=C2 SBB059281 [0,1,0,0,0,0|0,0,0]=1 98 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)CS2 SBB071471 [0,1,0,0,0,0|1,0,2]=4 99 B14R2.2332 COC1=CC=C2CC(=O)CCC2=C1 SBB056289 [0,1,0,0,0,0|1,0,2]=4 100 B14R2.2332 N#CC1=CC2=C(C=C1)C=C(O)C=C2 SBB059370 [0,1,0,0,0,0|3,0,0]=4 101 B14R2.2332 O=CC1=CC2=CC=C(O)C=C2C=C1 SBB052354 [0,1,0,0,0,0|3,0,0]=4 102 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 SBB058222 [0,0,1,0,0,0|2,0,0]=3 103 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 SBB079292 [0,0,1,0,0,0|3,0,0]=4 104 B12R1.78 COC1=CC=C(OC)C(C=O)=C1 SBB040207 [0,0,1,0,0,0|2,0,1]=4 105 B12R2.32 O=CC1=CC2=CC=CN=C2N1 SBB069694 [0,0,0,0,1,0|3,0,0]=4 106 B12R2.32 O=CC1=CC2=NC=CC=C2N1 SBB069680 [0,0,0,0,1,0|3,0,0]=4 107 B12R2.44 COC1=CC2=NON=C2C=C1 SBB086688 [0,0,0,0,1,0|2,0,0]=3 108 B12R2.44 COC1=CC2=NSN=C2C=C1 SBB088014 [0,0,0,0,1,0|2,0,0]=3 109 B12R2.44 COC1=CC=C2C=CNC2=C1 SBB055970 [0,0,0,0,1,0|1,0,0]=2 110 B12R2.44 COC1=CC=C2NC=NC2=C1 SBB086586 [0,0,0,0,1,0|1,0,1]=3 111 B12R2.44 N#CC1=CC2=C(C=CN2)C=C1 SBB018794 [0,0,0,0,1,0|3,0,0]=4 112 B12R2.44 N#CC1=CN2C=CN=C2C=C1 SBB056291 [0,0,0,0,1,0|3,0,0]=4 113 B12R2.44 N1C=CC2=C1C=CC(C#N)=C2 SBB004148 [0,0,0,0,1,0|2,0,1]=4 114 B12R2.44 N1C=CC2=C1C=CC(OC)=C2 SBB004094 [0,0,0,0,1,0|0,0,1]=2 115 B12R2.44 NCC1=CC2=C(C=C1)NC=C2 SBB019195 [0,0,0,0,1,0|2,0,1]=4 116 B12R2.44 NCC1=CC2=C(C=C1)SC=C2 SBB025642 [0,0,0,0,1,0|3,0,0]=4 117 B12R2.44 O=CC1=CC=C2C=CNC2=C1 SBB047517 [0,0,0,0,1,0|3,0,0]=4 118 B12R2.44 O=CC1=CC=C2NC=CC2=C1 SBB047518 [0,0,0,0,1,0|2,0,1]=4 119 B12R2.44 O=CC1=CN2C=CN=C2C=C1 SBB068640 [0,0,0,0,1,0|3,0,0]=4 120 B12R2.44 OCC1=CC2=C(C=C1)NC=C2 SBB018705 [0,0,0,0,1,0|2,0,1]=4 121 B12R2.44 OCC1=CC2=C(C=CN2)C=C1 SBB018694 [0,0,0,0,1,0|3,0,0]=4 122 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 SBB028745 [1,0,1,0,0,0|2,0,0]=4 123 B11R1.91 O=C(O)\C=C\C1=CC=CC=N1 SBB059539 [1,0,1,0,0,0|1,0,0]=3 124 B11R1.91 O=C(O)\C=C\C1=NC=CN=C1 SBB072995 [1,0,1,0,0,0|2,0,0]=4 125 B11R1.83 COC1=CC=C(CC=O)C=C1 SBB052209 [1,0,1,0,0,0|1,0,1]=4 126 B11R1.83 COC1=CC=C(N=C=O)C=C1 SBB048851 [1,0,1,0,0,0|1,0,1]=4 127 B11R1.83 COC1=CC=C(N=C=S)C=C1 SBB006547 [1,0,1,0,0,0|1,0,1]=4 128 B11R1.83 COC1=CC=C(\C=N/O)C=C1 SBB086769 [1,0,1,0,0,0|2,0,0]=4 129 B11R1.279 COC1=CC=C(C=O)C(F)=C1 SBB063771 [1,0,1,0,0,0|2,0,0]=4 130 B11R1.279 COC1=CC=C(C=O)C(O)=C1 SBB063106 [1,0,1,0,0,0|2,0,0]=4 131 B11R1.280 COC1=CC=C(Br)C(C=O)=C1 SBB063083 [1,0,1,0,0,0|2,0,0]=4 132 B11R1.280 COC1=CC=C(F)C(C=O)=C1 SBB063820 [1,0,1,0,0,0|2,0,0]=4 133 B11R1.280 COC1=CC=C(O)C(C=O)=C1 SBB063767 [1,0,1,0,0,0|2,0,0]=4 134 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 SBB040229 [1,0,1,0,0,0|2,0,0]=4 135 B11R1.189 COC1=CC=CC(CC=O)=C1 SBB052208 [1,0,1,0,0,0|1,0,1]=4 136 B11R2.20 C1=CC2=C(C=C1)N=CC=N2 SBB085760 [2,0,0,0,0,0|1,0,0]=3 137 B11R2.20 C1=CC2=C(C=CC=N2)N=C1 SBB059694 [2,0,0,0,0,0|1,0,0]=3 138 B11R2.20 C1=CC2=CC=NC=C2C=C1 SBB060380 [2,0,0,0,0,0|2,0,0]=4 139 B11R2.20 C1=CC2=CN=CC=C2N=C1 SBB056301 [2,0,0,0,0,0|1,0,0]=3 140 B11R2.20 C1=CC2=CN=CN=C2C=C1 SBB085761 [2,0,0,0,0,0|1,0,0]=3 141 B11R2.20 C1=CC2=NC=CN=C2N=C1 SBB056351 [2,0,0,0,0,0|2,0,0]=4 142 B11R2.20 C1=CN=C2C=CC=CC2=C1 SBB060379 [2,0,0,0,0,0|0,0,0]=2 143 B13R1.14 COC(=O)\C=C\C1=CC=C(Br)C=C1 SBB099373 [0,1,1,0,0,0|2,0,0]=4 144 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 SBB002393 [0,1,1,0,0,0|2,0,0]=4 145 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 SBB060754 [0,1,1,0,0,0|2,0,0]=4 146 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 SBB005717 [0,1,1,0,0,0|2,0,0]=4 147 B13R1.3 COC1=CC=C(\C=C\C(C)=O)C=C1 SBB017375 [0,1,1,0,0,0|1,0,1]=4 148 B13R1.418 CO\C(=C/C1=CC=CC=C1)C(=O)O SBB021719 [0,1,1,0,0,0|2,0,0]=4 149 B13R1.643 COC1=CC(OCC(=N)N)=CC=C1 SBB010654 [0,1,1,0,0,0|1,0,1]=4 150 B13R1.643 COC1=CC=CC(\C=C\C(=O)O)=C1 SBB042486 [0,1,1,0,0,0|1,0,0]=3 151 B13R1.643 COC1=CC=CC(\C=C\[N+](=O)[O-])=C1 SBB055154 [0,1,1,0,0,0|2,0,0]=4 152 B13R2.32 CC1=C(N)C2=CC=CN=C2C=C1 SBB027255 [1,1,0,0,0,0|0,0,0]=2 153 B13R2.32 CC1=CC=C2C=CC=NC2=C1N SBB041662 [1,1,0,0,0,0|2,0,0]=4 154 B13R2.32 NC1=C(O)C=CC2=C1C=CC=C2 SBB000347 [1,1,0,0,0,0|1,0,0]=3 155 B13R2.32 NC1=C2C=CC=CC2=CC=C1O SBB013739 [1,1,0,0,0,0|1,0,0]=3 156 B13R2.32 NC1=CC=C2N=CC=NC2=C1Br SBB054605 [1,1,0,0,0,0|2,0,0]=4 157 B13R2.32 O=C1C=CC2=C(C=CC=C2)C1=O SBB069545 [1,1,0,0,0,0|1,0,1]=4 158 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 SBB080000 [1,1,0,0,0,0|1,0,0]=3 159 B13R2.32 OC1=C(I)C2=CC=CC=C2C=C1 SBB054689 [1,1,0,0,0,0|1,0,0]=3 160 B13R2.155 CC1=NC2=C(C=CC(F)=C2)C=C1 SBB087524 [1,1,0,0,0,0|2,0,0]=4 161 B13R2.155 CC1=NC2=CC(Cl)=CC=C2C=C1 SBB054589 [1,1,0,0,0,0|2,0,0]=4 162 B13R2.155 ClC1=NC2=C(C=CC(Br)=C2)N=C1 SBB014165 [1,1,0,0,0,0|2,0,0]=4 163 B13R2.155 NC1=CC2=C(C=C1)N=CC(=O)N2 SBB014164 [1,1,0,0,0,0|2,0,0]=4 164 B13R2.155 NC1=CC2=C(C=C1)N=CC(Br)=C2 SBB012832 [1,1,0,0,0,0|1,0,0]=3 165 B13R2.155 NC1=CC=C2C=CC(O)=CC2=C1 SBB047734 [1,1,0,0,0,0|1,0,0]=3 166 B13R2.155 O=C1C=NC2=C(C=C(Br)C=C2)N1 SBB014181 [1,1,0,0,0,0|2,0,0]=4 167 B13R2.155 OC1=CC=C2C=CC(O)=CC2=C1 SBB061307 [1,1,0,0,0,0|1,0,0]=3 168 B13R2.162 CC1=CC2=C(C=C1)N=CC=C2C SBB006296 [1,1,0,0,0,0|0,0,0]=2 169 B13R2.162 CC1=CC=C2C=CC=C(C)C2=N1 SBB087220 [1,1,0,0,0,0|2,0,0]=4 170 B13R2.162 CC1=CC=C2C=CC=C(N)C2=N1 SBB010401 [1,1,0,0,0,0|2,0,0]=4 171 B13R2.162 CC1=CC=C2OC=CC(=O)C2=C1 SBB081177 [1,1,0,0,0,0|1,0,0]=3 172 B13R2.162 CC1=NC2=C(Cl)C=CC=C2C=C1 SBB089338 [1,1,0,0,0,0|2,0,0]=4 173 B13R2.162 CC1=NC2=C(O)C=CC=C2C=C1 SBB009099 [1,1,0,0,0,0|2,0,0]=4 174 B13R2.162 ClC1=C2C=C(Br)C=CC2=NC=C1 SBB099614 [1,1,0,0,0,0|1,0,0]=3 175 B13R2.162 ClC1=CC=C2N=CC=C(Cl)C2=C1 SBB018959 [1,1,0,0,0,0|1,0,0]=3 176 B13R2.162 ClC1=CC=C2N=CN=C(Cl)C2=C1 SBB079177 [1,1,0,0,0,0|2,0,0]=4 177 B13R2.162 FC1=CC=C2N=CC=C(Cl)C2=C1 SBB079127 [1,1,0,0,0,0|1,0,0]=3 178 B13R2.162 NC1=CC2=C(C=C1)N=CNC2=O SBB027561 [1,1,0,0,0,0|2,0,0]=4 179 B13R2.162 NC1=CC=NC2=CC=C(Cl)C=C12 SBB018960 [1,1,0,0,0,0|1,0,0]=3 180 B13R2.162 NC1=CC=NC2=CC=C(F)C=C12 SBB018964 [1,1,0,0,0,0|1,0,0]=3 181 B13R2.162 NC1=NC=NC2=CC=C(Br)C=C21 SBB051169 [1,1,0,0,0,0|2,0,0]=4 182 B13R2.162 O=C1C=COC2=CC=C(Br)C=C12 SBB081179 [1,1,0,0,0,0|2,0,0]=4 183 B13R2.162 O=C1C=COC2=CC=C(Cl)C=C12 SBB081178 [1,1,0,0,0,0|2,0,0]=4 184 B13R2.162 O=C1C=COC2=CC=C(F)C=C12 SBB087765 [1,1,0,0,0,0|2,0,0]=4 185 B13R2.162 O=C1NC=NC2=C1C=C(Cl)C=C2 SBB078189 [1,1,0,0,0,0|2,0,0]=4 186 B13R2.162 O=C1NC=NC2=CC=C(I)C=C12 SBB005376 [1,1,0,0,0,0|2,0,0]=4 187 B13R2.162 OC1=C2C=C(Br)C=CC2=NC=C1 SBB096592 [1,1,0,0,0,0|1,0,0]=3 188 B13R2.162 OC1=CC=C2C=CC=C(Br)C2=C1 SBB054650 [1,1,0,0,0,0|1,0,0]=3 189 B13R2.162 OC1=CC=NC2=CC=C(Cl)C=C12 SBB018958 [1,1,0,0,0,0|1,0,0]=3 190 B13R2.162 OC1=CC=NC2=CC=C(F)C=C12 SBB018961 [1,1,0,0,0,0|1,0,0]=3 191 B13R2.162 OC1=NC=NC2=CC=C(Br)C=C21 SBB054720 [1,1,0,0,0,0|2,0,0]=4 192 B13R2.328 CC1=CC(N)=C2N=CC=CC2=C1 SBB010403 [1,1,0,0,0,0|0,0,0]=2 193 B13R2.328 CC1=NC2=C(C=CC=C2)C(N)=C1 SBB003992 [1,1,0,0,0,0|2,0,0]=4 194 B13R2.328 CC1=NC2=CC=CC=C2C(Cl)=C1 SBB005362 [1,1,0,0,0,0|2,0,0]=4 195 B13R2.328 NC1=CC(Br)=CC2=CC=CN=C12 SBB000618 [1,1,0,0,0,0|1,0,0]=3 196 B13R2.328 NC1=CC(Cl)=CC2=C1N=CC=C2 SBB015010 [1,1,0,0,0,0|1,0,0]=3 197 B13R2.328 OC1=C2C=CC=CC2=NC(C)=C1 SBB003979 [1,1,0,0,0,0|2,0,0]=4 198 B13R2.328 OC1=CC(C)=C2C=CC=CC2=N1 SBB003978 [1,1,0,0,0,0|2,0,0]=4 199 B13R2.328 [NH+]1=C2C=CC=CC2=C(Cl)C=C1C SBB061547 [1,1,0,0,0,0|2,0,0]=4 200 B13R2.369 CC1=C(C)C=C2C=CC=CC2=C1 SBB060955 [1,1,0,0,0,0|1,0,0]=3 201 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl SBB041011 [1,1,0,0,0,0|2,0,0]=4 202 B13R2.369 CC1=CC2=NC=CC=C2N=C1N SBB045940 [1,1,0,0,0,0|2,0,0]=4 203 B13R2.369 NC1=C(O)C=C2C=CC=CC2=C1 SBB056891 [1,1,0,0,0,0|1,0,0]=3 204 B13R2.369 NC1=CC2=C(C=CC=C2)C=C1N SBB000127 [1,1,0,0,0,0|2,0,0]=4 205 B13R2.369 O=C1OC2=CC=CC=C2C=C1O SBB056328 [1,1,0,0,0,0|2,0,0]=4 206 B13R2.369 OC1=CC2=C(C=CC=C2)C=C1O SBB059330 [1,1,0,0,0,0|1,0,0]=3 207 B13R2.3683 CC1=CC=C2C=C(C)C=CC2=C1 SBB061146 [1,1,0,0,0,0|1,0,0]=3 208 B13R2.3683 CC1=NC2=C(C=C1)C=C(F)C=C2 SBB087523 [1,1,0,0,0,0|1,0,0]=3 209 B13R2.3683 CC1=NC2=C(C=C1)C=C(N)C=C2 SBB001638 [1,1,0,0,0,0|1,0,0]=3 210 B13R2.3683 CC1=NC2=CC=C(Br)C=C2C=C1 SBB062910 [1,1,0,0,0,0|1,0,0]=3 211 B13R2.3683 NC1=CC=C2C=C(N)C=CC2=C1 SBB072565 [1,1,0,0,0,0|2,0,0]=4 212 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 SBB071793 [1,1,0,0,0,0|2,0,0]=4 213 B13R2.3683 O=C1C=CC2=CC(O)=CC=C2O1 SBB056309 [1,1,0,0,0,0|1,0,0]=3 214 B13R2.3683 OC1=CC2=C(C=C1)C=C(O)C=C2 SBB000129 [1,1,0,0,0,0|1,0,0]=3 215 B13R2.3683 OC1=CC2=CC=C(Br)C=C2C=C1 SBB054639 [1,1,0,0,0,0|1,0,0]=3 216 B13R2.5179 OC1=CC2=CC=CC(O)=C2C=C1 SBB060481 [1,1,0,0,0,0|1,0,0]=3 217 B13R2.669 COC1=CC2=C(C=C1)CCC2=O SBB066968 [0,1,0,0,1,0|0,0,2]=4 218 B13R2.669 COC1=CC2=[N+]([O-])ON=C2C=C1 SBB057081 [0,1,0,0,1,0|2,0,0]=4 219 B13R2.669 COC1=CC=C2COC(=O)C2=C1 SBB067807 [0,1,0,0,1,0|1,0,1]=4 220 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)N2 SBB059283 [0,1,0,0,1,0|1,0,1]=4 221 B13R2.2121 COC1=CC2=C(C=C1)NC(C)=C2 SBB048388 [0,1,0,0,1,0|0,0,1]=3 222 B13R2.2121 COC1=CC2=C(C=C1)NC(S)=N2 SBB000219 [0,1,0,0,1,0|1,0,1]=4 223 B13R2.2121 COC1=CC2=C(C=C1)SC(C)=N2 SBB059122 [0,1,0,0,1,0|2,0,0]=4 224 B13R2.2121 COC1=CC2=C(C=C1)[Se]C(C)=N2 SBB057619 [0,1,0,0,1,0|2,0,0]=4 225 B13R2.2121 COC1=CC=C2N=C(N)SC2=N1 SBB052110 [0,1,0,0,1,0|2,0,0]=4 226 B13R2.2121 COC1=CC=C2NC(C)=NC2=C1 SBB056010 [0,1,0,0,1,0|1,0,1]=4 227 B13R2.2121 COC1=CC=C2NC(N)=NC2=C1 SBB051993 [0,1,0,0,1,0|1,0,1]=4 228 B13R2.2121 COC1=CC=C2OC(S)=NC2=C1 SBB046565 [0,1,0,0,1,0|2,0,0]=4 229 B13R2.2121 COC1=CC=C2SC(N)=NC2=C1 SBB051982 [0,1,0,0,1,0|2,0,0]=4 230 B13R2.2121 NC1=NC2=C(C=C(OC)C=C2)S1 SBB003746 [0,1,0,0,1,0|1,0,0]=3 231 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CC2 SBB066990 [0,1,0,0,1,0|0,0,2]=4 232 B13R2.2130 COC1=CC=C2C(=O)COC2=C1 SBB038186 [0,1,0,0,1,0|1,0,1]=4 233 B15R2.627 NC1=C([N+](=O)[O-])C=CC2=C1C=CC=N2 SBB000273 [0,2,0,0,0,0|2,0,0]=4 234 B15R2.627 OC1=C2C=CC=CC2=CC=C1C(C)=O SBB010063 [0,2,0,0,0,0|2,0,0]=4 235 B15R2.2115 COC1=CC=C2C=CC=CC2=C1C#N SBB056340 [0,2,0,0,0,0|1,0,0]=3 236 B15R2.2115 COC1=CC=C2C=CC=CC2=C1C=O SBB016660 [0,2,0,0,0,0|1,0,0]=3 237 B15R2.2115 COC1=CC=C2C=CC=CC2=C1CN SBB017993 [0,2,0,0,0,0|1,0,0]=3 238 B15R2.19973 COC1=CC(=O)C2=C(C=CC=C2)C1=O SBB069569 [0,2,0,0,0,0|1,0,0]=3 239 B15R2.352 CCCCC1=CC=C2C=CC=CC2=C1 SBB061521 [0,2,0,0,0,0|2,0,0]=4 240 B15R2.352 N#CCOC1=CC2=CC=CC=C2C=C1 SBB015550 [0,2,0,0,0,0|1,0,0]=3 241 B15R2.352 NCCOC1=CC2=CC=CC=C2C=C1 SBB018389 [0,2,0,0,0,0|1,0,0]=3 242 B15R2.352 OCCOC1=CC2=C(C=CC=C2)C=C1 SBB049570 [0,2,0,0,0,0|1,0,0]=3 243 B15R2.1601 CNC(C)C1=CC2=CC=CC=C2C=C1 SBB080478 [0,2,0,0,0,0|2,0,0]=4 244 B15R2.1601 COC(=O)C1=CC2=C(C=C1)N=CC=N2 SBB090747 [0,2,0,0,0,0|1,0,0]=3 245 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2C=N1 SBB053994 [0,2,0,0,0,0|2,0,0]=4 246 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2N=C1 SBB053992 [0,2,0,0,0,0|2,0,0]=4 247 B15R2.1601 COC(=O)C1=NC2=CC=CC=C2C=C1 SBB000263 [0,2,0,0,0,0|2,0,0]=4 248 B15R2.1601 NCC(O)C1=CC2=CC=CC=C2C=C1 SBB054880 [0,2,0,0,0,0|2,0,0]=4 249 B15R2.1601 O=C(CBr)C1=CC2=C(C=CC=C2)C=C1 SBB000883 [0,2,0,0,0,0|2,0,0]=4 250 B15R2.10252 CCCC1=CC2=C(C=C1)C=C(O)C=C2 SBB008630 [0,2,0,0,0,0|2,0,0]=4 251 B15R2.10252 CCOC1=CC2=C(C=C1)N=C(C)C=C2 SBB059377 [0,2,0,0,0,0|0,0,0]=2 252 B15R2.10252 CCOC1=CC2=CC=C(Br)C=C2C=C1 SBB039973 [0,2,0,0,0,0|1,0,0]=3 253 B15R2.21336 COC1=CC2=C(C=C1)N=C(O)C(O)=N2 SBB000304 [0,2,0,0,0,0|1,0,0]=3 254 B15R2.89396 COC1=CC=C2C(C)=CC(=O)OC2=C1 SBB010006 [0,2,0,0,0,0|2,0,0]=4 255 B15R2.89396 OC1=CC(=O)OC2=CC(OC)=CC=C12 SBB017005 [0,2,0,0,0,0|2,0,0]=4 256 B15R2.21329 CCC1=CC=C2N=C(Cl)C=C(C)C2=C1 SBB017870 [0,2,0,0,0,0|1,0,0]=3 257 B15R2.21329 CCC1=CC=C2NC(=O)C=C(C)C2=C1 SBB017863 [0,2,0,0,0,0|1,0,1]=4 258 B15R2.21329 COC1=CC=C2N=C(C)C=C(Cl)C2=C1 SBB010126 [0,2,0,0,0,0|0,0,0]=2 259 B15R2.61353 CC1=C2C=C(C(N)=O)C=CC2=NC=C1 SBB038176 [0,2,0,0,0,0|2,0,0]=4 260 B15R2.7180 CC1=CC=C2C=C(C(=O)O)C=CC2=N1 SBB053291 [0,2,0,0,0,0|2,0,0]=4 261 B15R2.7180 CC1=NC2=C(C=C1)C=C([N+](=O)[O-])C=C2 SBB040187 [0,2,0,0,0,0|2,0,0]=4 262 B15R2.14951 O=[N+]([O-])C1=CC2=CC=CN=C2C(O)=C1 SBB001523 [0,2,0,0,0,0|2,0,0]=4 263 B15R2.117 COC1=NC2=CC=CC=C2C=C1C=O SBB041656 [0,2,0,0,0,0|2,0,0]=4 264 B15R2.4780 C(=O)C1=CC2=CC=C(OC)C=C2C=C1 SBB010060 [0,2,0,0,0,0|1,0,0]=3 265 B11R1.25 COC(=O)\C=C\C1=CC=CS1 SBB088191 [0,0,1,0,1,0|2,0,0]=4 266 B11R1.222 COC(=O)C1=C(C)N=CC=C1 SBB065253 [0,0,1,0,1,0|1,0,1]=4 267 B11R1.222 COC(=O)C1=CC=CN=C1N SBB053869 [0,0,1,0,1,0|2,0,0]=4 268 B11R1.222 COC(=O)C1=CC=CN=C1O SBB053833 [0,0,1,0,1,0|2,0,0]=4 269 B11R1.222 COC(=O)C1=CC=CN=C1S SBB073627 [0,0,1,0,1,0|2,0,0]=4 270 B11R2.1 BrC1=CNC2=NC=CC=C12 SBB054700 [1,0,0,0,1,0|2,0,0]=4 271 B11R2.1 CC1=CNC2=CC=CC=C12 SBB055975 [1,0,0,0,1,0|2,0,0]=4 272 B11R2.1 CC1=CSC2=CC=CC=C12 SBB086600 [1,0,0,0,1,0|2,0,0]=4 273 B11R2.1 N1N=C(C)C2=CC=CN=C21 SBB085837 [1,0,0,0,1,0|2,0,0]=4 274 B11R2.1 NC1=CNC2=NC=CC=C12 SBB106824 [1,0,0,0,1,0|2,0,0]=4 275 B11R2.1 NC1=CSC2=C1C=CC=N2 SBB086727 [1,0,0,0,1,0|2,0,0]=4 276 B11R2.10 CC1=CC2=C(C=CC=C2)N1 SBB058480 [1,0,0,0,1,0|2,0,0]=4 277 B11R2.10 CC1=NC2=CC=CN=C2N1 SBB111724 [1,0,0,0,1,0|2,0,0]=4 278 B11R2.10 CC1=NC2=NC=CC=C2O1 SBB056403 [1,0,0,0,1,0|2,0,0]=4 279 B11R2.36 BrC1=CC=C2C=CNC2=C1 SBB054567 [1,0,0,0,1,0|2,0,0]=4 280 B11R2.36 BrC1=CC=C2N=CSC2=C1 SBB054570 [1,0,0,0,1,0|2,0,0]=4 281 B11R2.36 BrC1=CC=C2NC=CC2=C1 SBB054557 [1,0,0,0,1,0|1,0,1]=4 282 B11R2.36 BrC1=CC=C2SC=CC2=C1 SBB054552 [1,0,0,0,1,0|2,0,0]=4 283 B11R2.36 BrC1=CN2C=CN=C2C=C1 SBB092100 [1,0,0,0,1,0|2,0,0]=4 284 B11R2.36 CC1=CC2=C(C=CN2)C=C1 SBB047999 [1,0,0,0,1,0|1,0,0]=3 285 B11R2.36 CC1=CC2=CNN=C2N=C1 SBB026822 [1,0,0,0,1,0|2,0,0]=4 286 B11R2.36 CC1=CC2=NSN=C2C=C1 SBB059016 [1,0,0,0,1,0|2,0,0]=4 287 B11R2.36 CC1=CC=C2NC=CC2=C1 SBB055972 [1,0,0,0,1,0|0,0,1]=3 288 B11R2.36 CC1=CC=C2NC=NC2=C1 SBB046249 [1,0,0,0,1,0|1,0,1]=4 289 B11R2.36 CC1=CC=C2NN=CC2=C1 SBB046271 [1,0,0,0,1,0|1,0,1]=4 290 B11R2.36 CC1=CC=C2OC=NC2=C1 SBB055992 [1,0,0,0,1,0|2,0,0]=4 291 B11R2.36 CC1=CC=C2SC=CC2=C1 SBB055960 [1,0,0,0,1,0|1,0,0]=3 292 B11R2.36 ClC1=CC2=C(C=C1)NC=C2 SBB048045 [1,0,0,0,1,0|1,0,1]=4 293 B11R2.36 ClC1=CN2C=CN=C2C=C1 SBB086873 [1,0,0,0,1,0|2,0,0]=4 294 B11R2.36 FC1=CC2=C(C=CN2)C=C1 SBB054568 [1,0,0,0,1,0|2,0,0]=4 295 B11R2.36 FC1=CC=C2NC=CC2=C1 SBB085893 [1,0,0,0,1,0|1,0,1]=4 296 B11R2.36 IC1=CC=C2NC=CC2=C1 SBB054565 [1,0,0,0,1,0|1,0,1]=4 297 B11R2.36 N1C=CC2=C1C=C(Cl)C=C2 SBB004059 [1,0,0,0,1,0|2,0,0]=4 298 B11R2.36 NC1=CC2=C(C=C1)N=CS2 SBB028294 [1,0,0,0,1,0|2,0,0]=4 299 B11R2.36 NC1=CC2=C(C=C1)NC=C2 SBB004219 [1,0,0,0,1,0|1,0,1]=4 300 B11R2.36 NC1=CC2=C(C=CN2)C=C1 SBB014556 [1,0,0,0,1,0|2,0,0]=4 301 B11R2.36 NC1=CC=C2N=CNC2=C1 SBB010145 [1,0,0,0,1,0|2,0,0]=4 302 B11R2.36 NC1=CC=C2N=COC2=C1 SBB085856 [1,0,0,0,1,0|2,0,0]=4 303 B11R2.36 NC1=CN2C=CN=C2C=C1 SBB052096 [1,0,0,0,1,0|2,0,0]=4 304 B11R2.36 OC1=CC2=C(C=C1)C=NO2 SBB074225 [1,0,0,0,1,0|2,0,0]=4 305 B11R2.36 OC1=CC2=C(C=C1)NC=C2 SBB004214 [1,0,0,0,1,0|0,0,1]=3 306 B11R2.36 OC1=CC=C2C=CNC2=C1 SBB085833 [1,0,0,0,1,0|1,0,0]=3