0 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 SBB040244 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 SBB055637 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.13 CC(=O)C1=CC=C(C)C=C1 SBB058845 [0,0,0,0,0,0|0,0,2]=2 3 B10R1.13 CC(=O)C1=CC=C(C)N=C1 SBB055610 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 SBB040243 [0,0,0,0,0,0|1,0,2]=3 5 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 SBB055593 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.13 CC(=O)C1=CC=C(F)C=C1 SBB040257 [0,0,0,0,0,0|1,0,2]=3 7 B10R1.13 CC(=O)C1=CC=C(I)C=C1 SBB058956 [0,0,0,0,0,0|1,0,2]=3 8 B10R1.13 CC(=O)C1=CC=C(N)C=C1 SBB040278 [0,0,0,0,0,0|1,0,2]=3 9 B10R1.13 CC(=O)C1=CC=C(O)C=C1 SBB040251 [0,0,0,0,0,0|1,0,2]=3 10 B10R1.13 CC(C)C1=CC=C(N)C=C1 SBB040447 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.13 CC(N)C1=CC=C(F)C=C1 SBB046789 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.13 CC(N)C1=CC=C(O)C=C1 SBB008453 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.13 CC(N)C1=CC=C(O)C=C1 SBB080372 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 SBB063808 [0,0,0,0,0,0|1,0,0]=1 15 B10R1.13 CC(O)C1=CC=C(N)C=C1 SBB048111 [0,0,0,0,0,0|1,0,0]=1 16 B10R1.13 CC1=CC=C(B(O)O)C=C1 SBB048068 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.13 CC1=CC=C(B(O)O)C=N1 SBB052580 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.13 CC1=CC=C(C(=N)N)C=C1 SBB088463 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 SBB058746 [0,0,0,0,0,0|1,0,2]=3 20 B10R1.13 CC1=CC=C(C(=O)O)C=C1 SBB040516 [0,0,0,0,0,0|1,0,1]=2 21 B10R1.13 CC1=CC=C(C(=O)O)C=N1 SBB006666 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.13 CC1=CC=C(C(C)C)C=C1 SBB060399 [0,0,0,0,0,0|1,0,0]=1 23 B10R1.13 CC1=CC=C(C(C)N)C=C1 SBB010017 [0,0,0,0,0,0|1,0,0]=1 24 B10R1.13 CC1=CC=C(C(C)O)C=C1 SBB061733 [0,0,0,0,0,0|0,0,0]=0 25 B10R1.13 CC1=CC=C(C(N)=O)C=C1 SBB007862 [0,0,0,0,0,0|1,0,2]=3 26 B10R1.13 CC1=CC=C(C(N)=S)C=C1 SBB016502 [0,0,0,0,0,0|1,1,1]=3 27 B10R1.13 CC1=CC=C(C(N)=S)C=N1 SBB055742 [0,0,0,0,0,0|2,1,1]=4 28 B10R1.13 CC1=CN=C(B(O)O)C=C1 SBB071136 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.13 CC1=CN=C(C(=O)O)C=C1 SBB052876 [0,0,0,0,0,0|2,0,1]=3 30 B10R1.13 CC1=NC=C(C(=O)O)C=N1 SBB053220 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.13 CC1=NC=C(C(=O)O)N=C1 SBB006622 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.13 CC1=NC=C(C(N)=O)C=C1 SBB028251 [0,0,0,0,0,0|2,0,2]=4 33 B10R1.13 CN(C)C1=CC=C(Br)C=C1 SBB058575 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.13 CN(C)C1=CC=C(N)C=C1 SBB058715 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.13 CN(C)C1=CC=[N+]([O-])C=C1 SBB008470 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 SBB064275 [0,0,0,0,0,0|1,0,0]=1 37 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 SBB064274 [0,0,0,0,0,0|1,0,0]=1 38 B10R1.13 ClC1=CC=C(C(Cl)Cl)C=N1 SBB054302 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.13 FC1=CC=C(C(Cl)Cl)C=C1 SBB089501 [0,0,0,0,0,0|3,0,0]=3 40 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 SBB091235 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.13 N=C(N)C1=CC=C(F)C=C1 SBB073154 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.13 N=C(N)C1=CC=C(F)C=C1 SBB088979 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.13 N=C(N)C1=CC=C(N)C=C1 SBB003838 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.13 N=C(N)C1=CC=C(N)C=C1 SBB063615 [0,0,0,0,0,0|3,0,1]=4 45 B10R1.13 N=C(\C1=CC=C(N)C=C1)N SBB005770 [0,0,0,0,0,0|3,0,1]=4 46 B10R1.13 NC(=O)C1=CC=C(F)C=C1 SBB086057 [0,0,0,0,0,0|2,0,2]=4 47 B10R1.13 NC(=O)C1=CC=C(N)C=C1 SBB028159 [0,0,0,0,0,0|2,0,2]=4 48 B10R1.13 NC(=O)C1=CC=C(O)C=C1 SBB058350 [0,0,0,0,0,0|2,0,2]=4 49 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 SBB095205 [0,0,0,0,0,0|2,1,1]=4 50 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 SBB016508 [0,0,0,0,0,0|2,1,1]=4 51 B10R1.13 NC(=S)C1=CC=C(F)C=C1 SBB016503 [0,0,0,0,0,0|2,1,1]=4 52 B10R1.13 NC(=S)C1=CC=C(O)C=C1 SBB066605 [0,0,0,0,0,0|2,1,1]=4 53 B10R1.13 NC(C)C1=CC=C(Br)C=C1 SBB006746 [0,0,0,0,0,0|2,0,0]=2 54 B10R1.13 NC(C)C1=CC=C(Cl)C=C1 SBB004019 [0,0,0,0,0,0|2,0,0]=2 55 B10R1.13 NC1=CC=C(B(O)O)C=C1 SBB070184 [0,0,0,0,0,0|3,0,0]=3 56 B10R1.13 NC1=CC=C(C(=O)O)C=C1 SBB058665 [0,0,0,0,0,0|2,0,1]=3 57 B10R1.13 NC1=CC=C(C(=O)O)C=N1 SBB004186 [0,0,0,0,0,0|3,0,1]=4 58 B10R1.13 NC1=CC=C(C(=O)O)N=C1 SBB028257 [0,0,0,0,0,0|3,0,1]=4 59 B10R1.13 NC1=CC=C(S(=O)O)C=C1 SBB072620 [0,0,0,0,0,0|3,0,0]=3 60 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 SBB059787 [0,0,0,0,0,0|3,0,1]=4 61 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 SBB058718 [0,0,0,0,0,0|2,0,2]=4 62 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 SBB058751 [0,0,0,0,0,0|2,0,2]=4 63 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 SBB040628 [0,0,0,0,0,0|2,0,2]=4 64 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 SBB040519 [0,0,0,0,0,0|2,0,1]=3 65 B10R1.13 O=C(O)C1=CC=C(Br)C=N1 SBB028529 [0,0,0,0,0,0|3,0,1]=4 66 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 SBB040517 [0,0,0,0,0,0|2,0,1]=3 67 B10R1.13 O=C(O)C1=CC=C(Cl)C=N1 SBB062819 [0,0,0,0,0,0|3,0,1]=4 68 B10R1.13 O=C(O)C1=CC=C(Cl)N=C1 SBB004004 [0,0,0,0,0,0|3,0,1]=4 69 B10R1.13 O=C(O)C1=CC=C(F)C=C1 SBB008568 [0,0,0,0,0,0|2,0,1]=3 70 B10R1.13 O=C(O)C1=CC=C(F)N=C1 SBB065228 [0,0,0,0,0,0|3,0,1]=4 71 B10R1.13 O=C(O)C1=CC=C(I)C=C1 SBB063146 [0,0,0,0,0,0|2,0,1]=3 72 B10R1.13 O=C(O)C1=CC=C(O)N=C1 SBB004181 [0,0,0,0,0,0|3,0,1]=4 73 B10R1.13 O=C(O)C1=CC=[N+]([O-])C=C1 SBB052968 [0,0,0,0,0,0|3,0,1]=4 74 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 SBB028530 [0,0,0,0,0,0|3,0,1]=4 75 B10R1.13 O=C(O)C1=CN=C(S)C=C1 SBB004027 [0,0,0,0,0,0|3,0,1]=4 76 B10R1.13 O=C(O)C1=NC=C(F)C=C1 SBB065401 [0,0,0,0,0,0|3,0,1]=4 77 B10R1.13 O=C(O)C1=NC=C(O)C=C1 SBB052998 [0,0,0,0,0,0|3,0,1]=4 78 B10R1.13 O=[N+]([O-])C1=CC=C(Br)C=C1 SBB060983 [0,0,0,0,0,0|3,0,1]=4 79 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 SBB054149 [0,0,0,0,0,0|3,0,1]=4 80 B10R1.13 O=[N+]([O-])C1=CC=C(I)C=C1 SBB064696 [0,0,0,0,0,0|3,0,1]=4 81 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 SBB040875 [0,0,0,0,0,0|3,0,1]=4 82 B10R1.13 O=[N+]([O-])C1=CC=C(S)C=C1 SBB058973 [0,0,0,0,0,0|3,0,1]=4 83 B10R1.13 OB(O)C1=CC=C(Br)C=C1 SBB092695 [0,0,0,0,0,0|3,0,0]=3 84 B10R1.13 OB(O)C1=CC=C(Br)N=C1 SBB052564 [0,0,0,0,0,0|4,0,0]=4 85 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 SBB048060 [0,0,0,0,0,0|3,0,0]=3 86 B10R1.13 OB(O)C1=CC=C(Cl)N=C1 SBB052560 [0,0,0,0,0,0|4,0,0]=4 87 B10R1.13 OB(O)C1=CC=C(F)C=C1 SBB048067 [0,0,0,0,0,0|3,0,0]=3 88 B10R1.13 OB(O)C1=CC=C(F)N=C1 SBB052562 [0,0,0,0,0,0|4,0,0]=4 89 B10R1.13 OB(O)C1=CC=C(I)C=C1 SBB071088 [0,0,0,0,0,0|3,0,0]=3 90 B10R1.13 OB(O)C1=NC=C(Cl)C=C1 SBB071116 [0,0,0,0,0,0|4,0,0]=4 91 B10R1.13 OC(=O)C1=COC(=O)C=C1 SBB004170 [0,0,0,0,0,0|3,0,1]=4 92 B10R1.13 [NH3+]C1=CC=C(N(C)C)C=C1 SBB059799 [0,0,0,0,0,0|3,0,0]=3 93 B9R1.1 BrCC1=CC=C(Br)C=C1 SBB040668 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.1 BrCC1=CC=C(I)C=C1 SBB054901 [1,0,0,0,0,0|2,0,0]=3 95 B9R1.1 C#CC1=CC=C(Br)C=C1 SBB064530 [1,0,0,0,0,0|1,0,2]=4 96 B9R1.1 C#CC1=CC=C(F)C=C1 SBB064531 [1,0,0,0,0,0|1,0,2]=4 97 B9R1.1 CC1=CC=C(C#N)C=C1 SBB055483 [1,0,0,0,0,0|1,0,1]=3 98 B9R1.1 CC1=CC=C(CCl)C=C1 SBB040648 [1,0,0,0,0,0|1,0,0]=2 99 B9R1.1 CC1=CC=C(CN)C=C1 SBB040468 [1,0,0,0,0,0|1,0,0]=2 100 B9R1.1 CC1=CC=C(CO)C=C1 SBB063354 [1,0,0,0,0,0|0,0,0]=1 101 B9R1.1 CC1=CC=C(CS)C=C1 SBB086032 [1,0,0,0,0,0|0,1,0]=2 102 B9R1.1 CC1=CN=C(C#N)C=C1 SBB055740 [1,0,0,0,0,0|2,0,1]=4 103 B9R1.1 CC1=CN=C(C=O)C=C1 SBB065436 [1,0,0,0,0,0|1,0,2]=4 104 B9R1.1 CC1=CN=C(CN)C=N1 SBB052489 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.1 CC1=NC=C(C#N)C=C1 SBB065528 [1,0,0,0,0,0|2,0,1]=4 106 B9R1.1 CC1=NC=C(C=O)C=C1 SBB065430 [1,0,0,0,0,0|1,0,2]=4 107 B9R1.1 CC1=NC=C(CO)C=N1 SBB054825 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.1 CCC1=CC=C(Br)C=C1 SBB054183 [1,0,0,0,0,0|1,0,0]=2 109 B9R1.1 CCC1=CC=C(Br)C=C1 SBB060979 [1,0,0,0,0,0|1,0,0]=2 110 B9R1.1 CCC1=CC=C(C)N=C1 SBB060375 [1,0,0,0,0,0|1,0,0]=2 111 B9R1.1 CCC1=CC=C(F)C=C1 SBB085565 [1,0,0,0,0,0|1,0,0]=2 112 B9R1.1 CCC1=CC=C(N)C=C1 SBB040445 [1,0,0,0,0,0|1,0,0]=2 113 B9R1.1 CCC1=CC=C(O)C=C1 SBB057513 [1,0,0,0,0,0|1,0,0]=2 114 B9R1.1 CNC1=CC=C(N)C=C1 SBB003597 [1,0,0,0,0,0|2,0,0]=3 115 B9R1.1 COC1=CC=C(Br)C=C1 SBB060208 [1,0,0,0,0,0|2,0,0]=3 116 B9R1.1 COC1=CC=C(Br)C=N1 SBB059393 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.1 COC1=CC=C(C)C=C1 SBB060064 [1,0,0,0,0,0|1,0,0]=2 118 B9R1.1 COC1=CC=C(Cl)C=C1 SBB061022 [1,0,0,0,0,0|2,0,0]=3 119 B9R1.1 COC1=CC=C(F)C=C1 SBB085645 [1,0,0,0,0,0|2,0,0]=3 120 B9R1.1 COC1=CC=C(N)C=C1 SBB040441 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.1 COC1=CC=C(O)C=C1 SBB060425 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.1 COC1=NC=C(F)C=C1 SBB085672 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.1 COC1=NC=C(N)C=C1 SBB016584 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.1 CSC1=CC=C(F)C=C1 SBB086252 [1,0,0,0,0,0|2,0,0]=3 125 B9R1.1 CSC1=CC=C(O)C=C1 SBB071908 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.1 ClCC1=CC=C(Cl)C=C1 SBB058606 [1,0,0,0,0,0|2,0,0]=3 127 B9R1.1 ClCC1=CN=C(Cl)C=C1 SBB003948 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.1 FC1=CC=C(CBr)C=C1 SBB058857 [1,0,0,0,0,0|2,0,0]=3 129 B9R1.1 FC1=CC=C(CCl)C=C1 SBB040604 [1,0,0,0,0,0|2,0,0]=3 130 B9R1.1 FC1=CC=C([Zn]Br)C=C1 SBB099307 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.1 N#CC1=CC=C(Br)C=C1 SBB054163 [1,0,0,0,0,0|2,0,1]=4 132 B9R1.1 N#CC1=CC=C(Cl)C=C1 SBB028659 [1,0,0,0,0,0|2,0,1]=4 133 B9R1.1 N#CC1=CC=C(F)C=C1 SBB059276 [1,0,0,0,0,0|2,0,1]=4 134 B9R1.1 N#CC1=CC=C(I)C=C1 SBB017618 [1,0,0,0,0,0|2,0,1]=4 135 B9R1.1 N#CC1=CC=C(N)C=C1 SBB008363 [1,0,0,0,0,0|2,0,1]=4 136 B9R1.1 N#CC1=CC=C(O)C=C1 SBB008054 [1,0,0,0,0,0|2,0,1]=4 137 B9R1.1 NC1=CC=C(CO)C=C1 SBB063021 [1,0,0,0,0,0|1,0,0]=2 138 B9R1.1 NC1=CC=C(CO)C=N1 SBB085554 [1,0,0,0,0,0|2,0,0]=3 139 B9R1.1 NC1=CC=C(SC)C=C1 SBB006658 [1,0,0,0,0,0|2,0,0]=3 140 B9R1.1 NCC1=CC=C(Br)C=C1 SBB090347 [1,0,0,0,0,0|2,0,0]=3 141 B9R1.1 NCC1=CC=C(Cl)C=C1 SBB004154 [1,0,0,0,0,0|2,0,0]=3 142 B9R1.1 NCC1=CC=C(Cl)N=C1 SBB049618 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.1 NCC1=CC=C(F)C=C1 SBB017547 [1,0,0,0,0,0|2,0,0]=3 144 B9R1.1 NCC1=CC=C(F)C=C1 SBB028215 [1,0,0,0,0,0|2,0,0]=3 145 B9R1.1 NCC1=CC=C(I)C=C1 SBB052373 [1,0,0,0,0,0|2,0,0]=3 146 B9R1.1 NCC1=CC=C(N)C=C1 SBB002565 [1,0,0,0,0,0|2,0,0]=3 147 B9R1.1 NCC1=CC=C(N)N=C1 SBB052464 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.1 NCC1=CC=C(O)C=C1 SBB046561 [1,0,0,0,0,0|2,0,0]=3 149 B9R1.1 NNC1=CC=C(Br)C=C1 SBB017153 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.1 NNC1=CC=C(Cl)C=C1 SBB017155 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.1 NNC1=CC=C(F)C=C1 SBB012626 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.1 NNC1=CC=C(F)C=C1 SBB063152 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.1 NNC1=CC=C(I)C=C1 SBB017151 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.1 O=CC1=CC=C(Br)C=C1 SBB007609 [1,0,0,0,0,0|1,0,2]=4 155 B9R1.1 O=CC1=CC=C(Cl)C=C1 SBB040227 [1,0,0,0,0,0|1,0,2]=4 156 B9R1.1 O=CC1=CC=C(F)C=C1 SBB040209 [1,0,0,0,0,0|1,0,2]=4 157 B9R1.1 O=CC1=CC=C(I)C=C1 SBB062822 [1,0,0,0,0,0|1,0,2]=4 158 B9R1.1 O=CC1=CC=C(O)C=C1 SBB028743 [1,0,0,0,0,0|1,0,2]=4 159 B9R1.1 OCC1=CC=C(Br)C=C1 SBB064717 [1,0,0,0,0,0|1,0,0]=2 160 B9R1.1 OCC1=CC=C(Cl)C=C1 SBB058581 [1,0,0,0,0,0|1,0,0]=2 161 B9R1.1 OCC1=CC=C(F)C=C1 SBB058560 [1,0,0,0,0,0|1,0,0]=2 162 B9R1.1 OCC1=CC=C(F)N=C1 SBB065619 [1,0,0,0,0,0|2,0,0]=3 163 B9R1.1 OCC1=CC=C(I)C=C1 SBB063681 [1,0,0,0,0,0|1,0,0]=2 164 B9R1.1 OCC1=CC=C(O)C=C1 SBB059322 [1,0,0,0,0,0|1,0,0]=2 165 B9R1.1 OCC1=CN=C(Cl)C=C1 SBB054780 [1,0,0,0,0,0|2,0,0]=3 166 B9R1.1 OCC1=NC=C(Br)C=C1 SBB065294 [1,0,0,0,0,0|2,0,0]=3 167 B9R1.1 OCC1=NC=C(Cl)C=C1 SBB086303 [1,0,0,0,0,0|2,0,0]=3 168 B9R1.1 SCC1=CC=C(Br)C=C1 SBB067614 [1,0,0,0,0,0|1,1,0]=3 169 B9R1.1 [NH2+](C)C1=CC=C(O)C=C1 SBB060652 [1,0,0,0,0,0|2,0,0]=3 170 B9R1.1 [NH3+]NC1=CC=C(C)C=C1 SBB058586 [1,0,0,0,0,0|2,0,0]=3 171 B9R1.1 [NH3+]NC1=CC=C(Cl)C=C1 SBB058434 [1,0,0,0,0,0|3,0,0]=4 172 B9R1.6 C=C(C)C1=CC=CC=C1 SBB060154 [1,0,0,0,0,0|1,0,1]=3 173 B9R1.6 CC(=O)C1=CC=CC=C1 SBB040241 [1,0,0,0,0,0|0,0,2]=3 174 B9R1.6 CC(=O)C1=CC=NC=C1 SBB040256 [1,0,0,0,0,0|1,0,2]=4 175 B9R1.6 CC(=O)C1=CN=CC=C1 SBB040255 [1,0,0,0,0,0|1,0,2]=4 176 B9R1.6 CC(=O)C1=NC=CC=C1 SBB058824 [1,0,0,0,0,0|1,0,2]=4 177 B9R1.6 CC(Br)C1=CC=CC=C1 SBB040667 [1,0,0,0,0,0|1,0,0]=2 178 B9R1.6 CC(C)C1=CC=CC=C1 SBB040817 [1,0,0,0,0,0|1,0,0]=2 179 B9R1.6 CC(Cl)C1=CC=CC=C1 SBB007671 [1,0,0,0,0,0|1,0,0]=2 180 B9R1.6 CC(N)C1=CC=CC=C1 SBB040514 [1,0,0,0,0,0|1,0,0]=2 181 B9R1.6 CC(N)C1=CC=NC=C1 SBB007016 [1,0,0,0,0,0|2,0,0]=3 182 B9R1.6 CC(N)C1=CN=CC=C1 SBB027288 [1,0,0,0,0,0|2,0,0]=3 183 B9R1.6 CC(N)C1=NC=CC=C1 SBB018707 [1,0,0,0,0,0|2,0,0]=3 184 B9R1.6 CC(O)C1=CC=CC=C1 SBB058702 [1,0,0,0,0,0|0,0,0]=1 185 B9R1.6 CN(C)C1=CC=CC=C1 SBB040814 [1,0,0,0,0,0|2,0,0]=3 186 B9R1.6 CN(C)C1=CC=NC=C1 SBB008765 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.6 CN(N)C1=CC=CC=C1 SBB060814 [1,0,0,0,0,0|2,0,0]=3 188 B9R1.6 C[C@@H](O)C1=CC=NC=C1 SBB065458 [1,0,0,0,0,0|1,0,0]=2 189 B9R1.6 C[C@H](N)C1=CC=CC=C1 SBB051709 [1,0,0,0,0,0|1,0,0]=2 190 B9R1.6 N=C(N)C1=CC=CC=C1 SBB055093 [1,0,0,0,0,0|2,0,1]=4 191 B9R1.6 NC(=O)C1=CC=CC=C1 SBB058198 [1,0,0,0,0,0|1,0,2]=4 192 B9R1.6 NC(=S)C1=CC=CC=C1 SBB041177 [1,0,0,0,0,0|1,1,1]=4 193 B9R1.6 O=C(Cl)C1=CC=CC=C1 SBB059783 [1,0,0,0,0,0|1,0,2]=4 194 B9R1.6 O=C(F)C1=CC=CC=C1 SBB085547 [1,0,0,0,0,0|1,0,2]=4 195 B9R1.6 O=C(O)C1=CC=CC=C1 SBB040515 [1,0,0,0,0,0|1,0,1]=3 196 B9R1.6 O=C(O)C1=CC=CN=C1 SBB004279 [1,0,0,0,0,0|2,0,1]=4 197 B9R1.6 O=C(O)C1=CC=NC=C1 SBB004278 [1,0,0,0,0,0|2,0,1]=4 198 B9R1.6 O=C(O)C1=NC=CC=C1 SBB004277 [1,0,0,0,0,0|2,0,1]=4 199 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 SBB040911 [1,0,0,0,0,0|2,0,1]=4 200 B9R1.6 OB(O)C1=CC=NC=C1 SBB004280 [1,0,0,0,0,0|3,0,0]=4 201 B9R1.6 OB(O)C1=CN=CC=C1 SBB025625 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.6 OB(O)C1=NC=CC=C1 SBB052574 [1,0,0,0,0,0|3,0,0]=4 203 B11R1.3 C(=O)C1=CC=C(B(O)O)C=C1 SBB004077 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 SBB055505 [0,1,0,0,0,0|1,0,1]=3 205 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 SBB063042 [0,1,0,0,0,0|0,0,3]=4 206 B11R1.3 CC(C)C1=CC=C(C#N)C=C1 SBB086428 [0,1,0,0,0,0|1,0,1]=3 207 B11R1.3 CC(C)C1=CC=C(C=O)C=C1 SBB040237 [0,1,0,0,0,0|1,0,1]=3 208 B11R1.3 CC(C)C1=CC=C(CCl)C=C1 SBB042664 [0,1,0,0,0,0|1,0,0]=2 209 B11R1.3 CC(C)C1=CC=C(CN)C=C1 SBB017646 [0,1,0,0,0,0|1,0,0]=2 210 B11R1.3 CC(C)C1=CC=C(CO)C=C1 SBB065188 [0,1,0,0,0,0|1,0,0]=2 211 B11R1.3 CC(C)C1=CC=C(NN)C=C1 SBB063839 [0,1,0,0,0,0|2,0,0]=3 212 B11R1.3 CCC1=CC=C(B(O)O)C=C1 SBB048066 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.3 CCC1=CC=C(C(=N)N)C=C1 SBB073190 [0,1,0,0,0,0|2,0,1]=4 214 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 SBB006540 [0,1,0,0,0,0|1,0,2]=4 215 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 SBB037877 [0,1,0,0,0,0|1,0,1]=3 216 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 SBB040909 [0,1,0,0,0,0|0,0,2]=3 217 B11R1.3 CCC1=CC=C(C(C)N)C=C1 SBB016483 [0,1,0,0,0,0|1,0,0]=2 218 B11R1.3 CCC1=CC=C(C(N)=O)C=C1 SBB116864 [0,1,0,0,0,0|1,0,2]=4 219 B11R1.3 CCC1=CC=C(C(N)=S)C=C1 SBB016505 [0,1,0,0,0,0|1,1,1]=4 220 B11R1.3 CCC1=CC=C([N+](=O)[O-])C=C1 SBB060635 [0,1,0,0,0,0|2,0,1]=4 221 B11R1.3 CN(C)C1=CC=C(C#N)C=C1 SBB008018 [0,1,0,0,0,0|2,0,1]=4 222 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 SBB008757 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.3 CN(C)C1=CC=C(CO)C=C1 SBB059054 [0,1,0,0,0,0|2,0,0]=3 224 B11R1.3 CN(C)C1=CC=C(N=O)C=C1 SBB058598 [0,1,0,0,0,0|3,0,0]=4 225 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 SBB058256 [0,1,0,0,0,0|1,0,1]=3 226 B11R1.3 COC1=CC=C(B(O)O)C=C1 SBB004055 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.3 COC1=CC=C(B(O)O)C=N1 SBB052568 [0,1,0,0,0,0|3,0,0]=4 228 B11R1.3 COC1=CC=C(C(=N)N)C=C1 SBB048505 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 SBB040620 [0,1,0,0,0,0|1,0,2]=4 230 B11R1.3 COC1=CC=C(C(=O)O)C=C1 SBB037872 [0,1,0,0,0,0|1,0,1]=3 231 B11R1.3 COC1=CC=C(C(C)=O)C=C1 SBB040242 [0,1,0,0,0,0|0,0,2]=3 232 B11R1.3 COC1=CC=C(C(C)N)C=C1 SBB007015 [0,1,0,0,0,0|1,0,0]=2 233 B11R1.3 COC1=CC=C(C(N)=S)C=C1 SBB016507 [0,1,0,0,0,0|1,1,1]=4 234 B11R1.3 COC1=CC=C([N+](=O)[O-])C=C1 SBB058741 [0,1,0,0,0,0|2,0,1]=4 235 B11R1.3 COC1=NC=C(C(=O)O)C=C1 SBB012818 [0,1,0,0,0,0|2,0,1]=4 236 B11R1.3 CSC1=CC=C(B(O)O)C=C1 SBB052536 [0,1,0,0,0,0|2,0,0]=3 237 B11R1.3 CSC1=CC=C(B(O)O)C=N1 SBB071129 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.3 CSC1=CC=C(C(=N)N)C=C1 SBB077444 [0,1,0,0,0,0|2,0,1]=4 239 B11R1.3 CSC1=CC=C(C(=O)O)C=C1 SBB063176 [0,1,0,0,0,0|1,0,1]=3 240 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 SBB088031 [0,1,0,0,0,0|0,0,2]=3 241 B11R1.3 CSC1=CC=C([N+](=O)[O-])C=C1 SBB068783 [0,1,0,0,0,0|2,0,1]=4 242 B11R1.3 N#CC1=CC=C(B(O)O)C=C1 SBB052519 [0,1,0,0,0,0|2,0,1]=4 243 B11R1.3 N#CC1=CC=C(C(=O)O)C=C1 SBB008570 [0,1,0,0,0,0|1,0,2]=4 244 B11R1.3 NCC1=CC=C(B(O)O)C=C1 SBB003689 [0,1,0,0,0,0|2,0,0]=3 245 B11R1.3 NCC1=CC=C(B(O)O)C=C1 SBB047810 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 SBB006704 [0,1,0,0,0,0|1,0,1]=3 247 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 SBB046616 [0,1,0,0,0,0|1,0,2]=4 248 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 SBB017160 [0,1,0,0,0,0|2,0,1]=4 249 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 SBB042644 [0,1,0,0,0,0|1,0,1]=3 250 B11R1.3 O=C(O)C1=CC=C(CCl)C=C1 SBB040672 [0,1,0,0,0,0|1,0,1]=3 251 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 SBB052730 [0,1,0,0,0,0|1,0,1]=3 252 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 SBB040263 [0,1,0,0,0,0|1,0,2]=4 253 B11R1.3 O=[N+]([O-])C1=CC=C(CBr)C=C1 SBB041005 [0,1,0,0,0,0|2,0,1]=4 254 B11R1.3 O=[N+]([O-])C1=CC=C(CCl)C=C1 SBB040643 [0,1,0,0,0,0|2,0,1]=4 255 B11R1.3 O=[N+]([O-])C1=CC=C(CO)C=C1 SBB008259 [0,1,0,0,0,0|2,0,1]=4 256 B11R1.3 OB(O)C1=CC=C(CBr)C=C1 SBB070792 [0,1,0,0,0,0|2,0,0]=3 257 B11R1.3 OC(=O)C1=CC=C(C=C)C=C1 SBB006579 [0,1,0,0,0,0|1,0,2]=4 258 B11R1.3 OCC1=CC=C(B(O)O)C=C1 SBB064159 [0,1,0,0,0,0|2,0,0]=3 259 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 SBB054162 [0,1,0,0,0,0|2,0,0]=3 260 B11R1.19 CC(C)(C)C1=CC=C(N)C=C1 SBB007738 [0,1,0,0,0,0|2,0,0]=3 261 B11R1.19 CC(C)(C)C1=CC=C(O)C=C1 SBB060742 [0,1,0,0,0,0|2,0,0]=3 262 B11R1.19 CC(C)(C)C1=CC=[N+]([O-])C=C1 SBB086788 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.19 CC(C)(N)C1=CC=C(Cl)C=C1 SBB052375 [0,1,0,0,0,0|2,0,0]=3 264 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 SBB052370 [0,1,0,0,0,0|2,0,0]=3 265 B11R1.19 CC(C)(O)C1=CC=C(F)C=C1 SBB087016 [0,1,0,0,0,0|1,0,0]=2 266 B11R1.19 CC1=CC=C(C(C)(C)N)C=C1 SBB052376 [0,1,0,0,0,0|1,0,0]=2 267 B11R1.19 CC1=CC=C(C(C)(C)O)C=C1 SBB063535 [0,1,0,0,0,0|0,0,0]=1 268 B11R1.19 CC1=CC=C(C(F)(F)F)C=C1 SBB087416 [0,1,0,0,0,0|2,0,0]=3 269 B11R1.19 CC1=CC=C(S(=O)(=O)Cl)C=C1 SBB040936 [0,1,0,0,0,0|2,0,1]=4 270 B11R1.19 CC1=CC=C(S(=O)(=O)F)C=C1 SBB088899 [0,1,0,0,0,0|2,0,1]=4 271 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 SBB060818 [0,1,0,0,0,0|2,0,0]=3 272 B11R1.19 CC1=CC=C(S(C)(=O)=O)C=C1 SBB059073 [0,1,0,0,0,0|1,0,1]=3 273 B11R1.19 CC1=CC=C(S(N)(=O)=O)C=C1 SBB058201 [0,1,0,0,0,0|2,0,1]=4 274 B11R1.19 CC1=CC=C([B-](F)(F)F)C=C1 SBB092243 [0,1,0,0,0,0|3,0,0]=4 275 B11R1.19 CS(=O)(=O)C1=CC=C(Br)C=C1 SBB006294 [0,1,0,0,0,0|2,0,1]=4 276 B11R1.19 CS(=O)(=O)C1=CC=C(Cl)C=C1 SBB006326 [0,1,0,0,0,0|2,0,1]=4 277 B11R1.19 CS(=O)(=O)C1=CC=C(F)C=C1 SBB088901 [0,1,0,0,0,0|2,0,1]=4 278 B11R1.19 CS(=O)(=O)C1=CC=C(N)C=C1 SBB048033 [0,1,0,0,0,0|2,0,1]=4 279 B11R1.19 CS(=O)(=O)C1=CC=C(O)C=C1 SBB049566 [0,1,0,0,0,0|2,0,1]=4 280 B11R1.19 FC(F)(F)C1=CC=C(Br)C=C1 SBB096753 [0,1,0,0,0,0|3,0,0]=4 281 B11R1.19 FC(F)(F)C1=CC=C(Cl)C=C1 SBB089721 [0,1,0,0,0,0|3,0,0]=4 282 B11R1.19 FC(F)(F)C1=CC=C(S)C=C1 SBB089395 [0,1,0,0,0,0|3,0,0]=4 283 B11R1.19 FC1=CC=C(C(F)(F)F)C=C1 SBB087758 [0,1,0,0,0,0|3,0,0]=4 284 B11R1.19 NC1=CC=C(C(F)(F)F)C=C1 SBB003956 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.19 NC1=CC=C(C(F)(F)F)C=C1 SBB051729 [0,1,0,0,0,0|3,0,0]=4 286 B11R1.19 NC1=CC=C(S(=O)(=O)O)C=C1 SBB028140 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.19 [NH3+]C1=CC=C(S(C)(=O)=O)C=C1 SBB058965 [0,1,0,0,0,0|2,0,1]=4 288 B11R1.21 CC(=O)C1=CC(C)=C(F)C=C1 SBB055073 [0,1,0,0,0,0|1,0,2]=4 289 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 SBB040254 [0,1,0,0,0,0|1,0,2]=4 290 B11R1.21 CC(=O)C1=CC(N)=C(Cl)C=C1 SBB055484 [0,1,0,0,0,0|1,0,2]=4 291 B11R1.21 CC(=O)C1=CC=C(C)C(C)=C1 SBB063673 [0,1,0,0,0,0|0,0,2]=3 292 B11R1.21 CC(=O)C1=CC=C(C)C(F)=C1 SBB086851 [0,1,0,0,0,0|0,0,2]=3 293 B11R1.21 CC(=O)C1=CC=C(Cl)C(F)=C1 SBB064325 [0,1,0,0,0,0|1,0,2]=4 294 B11R1.21 CC(=O)C1=CC=C(F)C(Br)=C1 SBB063810 [0,1,0,0,0,0|1,0,2]=4 295 B11R1.21 CC(=O)C1=CC=C(F)C(Cl)=C1 SBB063231 [0,1,0,0,0,0|1,0,2]=4 296 B11R1.21 CC(=O)C1=CC=C(F)C(F)=C1 SBB016583 [0,1,0,0,0,0|1,0,2]=4 297 B11R1.21 CC(=O)C1=CC=C(O)C(C)=C1 SBB063472 [0,1,0,0,0,0|1,0,2]=4 298 B11R1.21 CC(=O)C1=CC=C(O)C(Cl)=C1 SBB088451 [0,1,0,0,0,0|1,0,2]=4 299 B11R1.21 CC(=O)C1=CC=C(O)C(F)=C1 SBB086987 [0,1,0,0,0,0|1,0,2]=4 300 B11R1.21 CC(=O)C1=CC=C(O)C(O)=C1 SBB061719 [0,1,0,0,0,0|1,0,2]=4 301 B11R1.21 CC(C)C1=CC(N)=C(O)C=C1 SBB013738 [0,1,0,0,0,0|2,0,0]=3 302 B11R1.21 CC1=C(Br)C=C([N+](=O)[O-])C=C1 SBB007843 [0,1,0,0,0,0|2,0,1]=4 303 B11R1.21 CC1=C(C)C=C(C(=O)Cl)C=C1 SBB053625 [0,1,0,0,0,0|1,0,2]=4 304 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 SBB009345 [0,1,0,0,0,0|1,0,0]=2 305 B11R1.21 CC1=C(C)C=C(C(N)=O)C=C1 SBB086653 [0,1,0,0,0,0|1,0,2]=4 306 B11R1.21 CC1=C(C)C=C([N+](=O)[O-])C=C1 SBB061462 [0,1,0,0,0,0|2,0,1]=4 307 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 SBB064178 [0,1,0,0,0,0|1,0,1]=3 308 B11R1.21 CC1=C(F)C=C(C(=N)N)C=C1 SBB055500 [0,1,0,0,0,0|2,0,1]=4 309 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 SBB004034 [0,1,0,0,0,0|1,0,1]=3 310 B11R1.21 CC1=C(F)C=CC(B(O)O)=C1 SBB086953 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.21 CC1=C(F)C=CC(C(=O)O)=C1 SBB064195 [0,1,0,0,0,0|2,0,1]=4 312 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 SBB003083 [0,1,0,0,0,0|1,0,1]=3 313 B11R1.21 CC1=C(N)C=C(C(N)=O)C=C1 SBB055440 [0,1,0,0,0,0|1,0,2]=4 314 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 SBB060790 [0,1,0,0,0,0|1,0,0]=2 315 B11R1.21 CC1=CC(C(=O)O)=CC=C1Br SBB063174 [0,1,0,0,0,0|2,0,1]=4 316 B11R1.21 CC1=CC(C(=O)O)=CC=C1Cl SBB063175 [0,1,0,0,0,0|2,0,1]=4 317 B11R1.21 CC1=CC(C(=O)O)=CC=C1I SBB064683 [0,1,0,0,0,0|2,0,1]=4 318 B11R1.21 CC1=CC(C(=O)O)=CC=C1N SBB063076 [0,1,0,0,0,0|2,0,1]=4 319 B11R1.21 CC1=CC(C(=O)O)=CC=C1O SBB017625 [0,1,0,0,0,0|2,0,1]=4 320 B11R1.21 CC1=CC=C(B(O)O)C=C1C SBB086672 [0,1,0,0,0,0|2,0,0]=3 321 B11R1.21 CC1=CC=C(B(O)O)C=C1Cl SBB071075 [0,1,0,0,0,0|2,0,0]=3 322 B11R1.21 CC1=CC=C(B(O)O)C=C1F SBB086950 [0,1,0,0,0,0|2,0,0]=3 323 B11R1.21 CC1=CC=C(C(=O)Cl)C=C1F SBB088708 [0,1,0,0,0,0|1,0,2]=4 324 B11R1.21 CC1=CC=C(C(=O)O)C=C1Br SBB064706 [0,1,0,0,0,0|1,0,1]=3 325 B11R1.21 CC1=CC=C(C(=O)O)C=C1C SBB043550 [0,1,0,0,0,0|1,0,1]=3 326 B11R1.21 CC1=CC=C(C(=O)O)C=C1N SBB063163 [0,1,0,0,0,0|1,0,1]=3 327 B11R1.21 CC1=CC=C(C(=O)O)C=C1O SBB063353 [0,1,0,0,0,0|1,0,1]=3 328 B11R1.21 CC1=CC=C(C(N)=O)C=C1Br SBB080447 [0,1,0,0,0,0|1,0,2]=4 329 B11R1.21 CC1=CC=C(C(N)=O)C=C1F SBB086917 [0,1,0,0,0,0|1,0,2]=4 330 B11R1.21 CC1=CC=C(C(N)=S)C=C1F SBB028365 [0,1,0,0,0,0|1,1,1]=4 331 B11R1.21 CC1=CC=C(N(=O)=O)C=C1I SBB005821 [0,1,0,0,0,0|2,0,1]=4 332 B11R1.21 CC1=CC=C([N+](=O)[O-])C=C1Cl SBB061490 [0,1,0,0,0,0|2,0,1]=4 333 B11R1.21 CC1=CC=C([N+](=O)[O-])C=C1F SBB063449 [0,1,0,0,0,0|2,0,1]=4 334 B11R1.21 CC1=CC=C([N+](=O)[O-])C=C1N SBB007597 [0,1,0,0,0,0|2,0,1]=4 335 B11R1.21 CC1=CC=C([N+](=O)[O-])C=C1O SBB066991 [0,1,0,0,0,0|2,0,1]=4 336 B11R1.21 CN1C=CC(C(=O)O)=CC1=O SBB019149 [0,1,0,0,0,0|2,0,1]=4 337 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 SBB003842 [0,1,0,0,0,0|2,0,1]=4 338 B11R1.21 NC1=C(I)C=C(C(=O)O)C=C1 SBB052606 [0,1,0,0,0,0|2,0,1]=4 339 B11R1.21 NC1=C(O)C=C(C(=O)O)C=C1 SBB052678 [0,1,0,0,0,0|2,0,1]=4 340 B11R1.21 NC1=C(O)C=CC(C(=O)O)=C1 SBB006740 [0,1,0,0,0,0|2,0,1]=4 341 B11R1.21 NC1=CC(C(=O)O)=CC=C1Br SBB063465 [0,1,0,0,0,0|2,0,1]=4 342 B11R1.21 NC1=CC(C(=O)O)=CC=C1F SBB063433 [0,1,0,0,0,0|2,0,1]=4 343 B11R1.21 NC1=CC=C(C(=O)O)C=C1Br SBB051432 [0,1,0,0,0,0|2,0,1]=4 344 B11R1.21 NC1=CC=C(C(=O)O)C=C1Cl SBB063972 [0,1,0,0,0,0|2,0,1]=4 345 B11R1.21 NC1=CC=C(C(=O)O)C=C1F SBB028317 [0,1,0,0,0,0|2,0,1]=4 346 B11R1.21 NC1=CC=C(C(=O)O)C=C1N SBB000111 [0,1,0,0,0,0|2,0,1]=4 347 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)C=C1 SBB017622 [0,1,0,0,0,0|2,0,1]=4 348 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=C1 SBB003796 [0,1,0,0,0,0|2,0,1]=4 349 B11R1.21 O=C(O)C1=CC(F)=C(Cl)C=C1 SBB052712 [0,1,0,0,0,0|2,0,1]=4 350 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 SBB006721 [0,1,0,0,0,0|2,0,1]=4 351 B11R1.21 O=C(O)C1=CC=C(Br)C(Cl)=C1 SBB063489 [0,1,0,0,0,0|2,0,1]=4 352 B11R1.21 O=C(O)C1=CC=C(Br)C(F)=C1 SBB063378 [0,1,0,0,0,0|2,0,1]=4 353 B11R1.21 O=C(O)C1=CC=C(Cl)C(Cl)=C1 SBB063116 [0,1,0,0,0,0|2,0,1]=4 354 B11R1.21 O=C(O)C1=CC=C(Cl)C(O)=C1 SBB008503 [0,1,0,0,0,0|2,0,1]=4 355 B11R1.21 O=C(O)C1=CC=C(F)C(Br)=C1 SBB063453 [0,1,0,0,0,0|2,0,1]=4 356 B11R1.21 O=C(O)C1=CC=C(F)C(O)=C1 SBB008505 [0,1,0,0,0,0|2,0,1]=4 357 B11R1.21 O=C(O)C1=CC=C(I)C(F)=C1 SBB064905 [0,1,0,0,0,0|2,0,1]=4 358 B11R1.21 O=C(O)C1=CC=C(I)C(O)=C1 SBB064163 [0,1,0,0,0,0|2,0,1]=4 359 B11R1.21 O=C(O)C1=CC=C(O)C(Br)=C1 SBB065089 [0,1,0,0,0,0|2,0,1]=4 360 B11R1.21 O=C(O)C1=CC=C(O)C(Cl)=C1 SBB008420 [0,1,0,0,0,0|2,0,1]=4 361 B11R1.21 O=C(O)C1=CC=C(O)C(F)=C1 SBB064411 [0,1,0,0,0,0|2,0,1]=4 362 B11R1.21 O=C(O)C1=CC=C(O)C(O)=C1 SBB061371 [0,1,0,0,0,0|2,0,1]=4 363 B11R1.21 OB(O)C1=CC(Cl)=C(F)C=C1 SBB088952 [0,1,0,0,0,0|3,0,0]=4 364 B11R1.21 OB(O)C1=CC(F)=C(Br)C=C1 SBB095681 [0,1,0,0,0,0|3,0,0]=4 365 B11R1.21 OB(O)C1=CC(F)=C(Cl)C=C1 SBB052534 [0,1,0,0,0,0|3,0,0]=4 366 B11R1.21 OB(O)C1=CC(F)=C(F)C=C1 SBB048075 [0,1,0,0,0,0|3,0,0]=4 367 B11R1.21 OB(O)C1=CC(O)=C(F)C=C1 SBB087098 [0,1,0,0,0,0|3,0,0]=4 368 B11R1.21 OB(O)C1=CC=C(O)C(F)=C1 SBB071246 [0,1,0,0,0,0|3,0,0]=4 369 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 SBB038706 [0,1,0,0,0,0|0,0,2]=3 370 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 SBB028287 [0,1,0,0,0,0|1,0,2]=4 371 B11R1.22 CC1=CC=C(C(O)C#N)C=C1 SBB086534 [0,1,0,0,0,0|0,0,1]=2 372 B11R1.22 CC1=CC=C(\C(N)=N\O)C=C1 SBB022612 [0,1,0,0,0,0|1,0,1]=3 373 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 SBB058414 [0,1,0,0,0,0|1,0,2]=4 374 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 SBB056753 [0,1,0,0,0,0|0,0,2]=3 375 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 SBB035779 [0,1,0,0,0,0|1,0,2]=4 376 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 SBB058461 [0,1,0,0,0,0|1,0,2]=4 377 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 SBB040250 [0,1,0,0,0,0|1,0,2]=4 378 B11R1.22 CCC(N)C1=CC=C(C)C=C1 SBB017924 [0,1,0,0,0,0|1,0,0]=2 379 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 SBB046785 [0,1,0,0,0,0|2,0,0]=3 380 B11R1.22 CCC(N)C1=CC=C(F)C=C1 SBB010339 [0,1,0,0,0,0|2,0,0]=3 381 B11R1.22 CCC(N)C1=CC=C(O)C=C1 SBB080407 [0,1,0,0,0,0|2,0,0]=3 382 B11R1.22 CCC(O)C1=CC=C(F)C=C1 SBB087018 [0,1,0,0,0,0|1,0,0]=2 383 B11R1.22 CNC(=O)C1=CC=C(Br)C=C1 SBB051043 [0,1,0,0,0,0|1,0,2]=4 384 B11R1.22 CNC(=O)C1=CC=C(C)C=C1 SBB008263 [0,1,0,0,0,0|0,0,2]=3 385 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 SBB003861 [0,1,0,0,0,0|1,0,2]=4 386 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 SBB000104 [0,1,0,0,0,0|1,0,2]=4 387 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 SBB063144 [0,1,0,0,0,0|1,0,2]=4 388 B11R1.22 COC(=O)C1=CC=C(C)C=C1 SBB064103 [0,1,0,0,0,0|0,0,2]=3 389 B11R1.22 COC(=O)C1=CC=C(C)N=C1 SBB053798 [0,1,0,0,0,0|1,0,2]=4 390 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 SBB063826 [0,1,0,0,0,0|1,0,2]=4 391 B11R1.22 COC(=O)C1=CC=C(F)C=C1 SBB053694 [0,1,0,0,0,0|1,0,2]=4 392 B11R1.22 COC(=O)C1=CC=C(I)C=C1 SBB063273 [0,1,0,0,0,0|1,0,2]=4 393 B11R1.22 COC(=O)C1=CC=C(O)C=C1 SBB040908 [0,1,0,0,0,0|1,0,2]=4 394 B11R1.22 COC(=O)C1=CC=[N+](C)C=C1 SBB086856 [0,1,0,0,0,0|1,0,2]=4 395 B11R1.22 C\C(=N/O)C1=CC=C(Cl)C=C1 SBB029872 [0,1,0,0,0,0|1,0,1]=3 396 B11R1.22 N#C[C@H](O)C1=CC=C(Cl)C=C1 SBB088117 [0,1,0,0,0,0|1,0,1]=3 397 B11R1.22 NC1=CC=C(C(=O)OC)C=C1 SBB004063 [0,1,0,0,0,0|1,0,2]=4 398 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 SBB100801 [0,1,0,0,0,0|1,0,2]=4 399 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 SBB017900 [0,1,0,0,0,0|1,0,2]=4 400 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 SBB093579 [0,1,0,0,0,0|1,0,2]=4 401 B11R1.22 N\C(=N/O)C1=CC=C(Br)C=C1 SBB095052 [0,1,0,0,0,0|2,0,1]=4 402 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 SBB022726 [0,1,0,0,0,0|2,0,1]=4 403 B11R1.22 N\C(=N/O)C1=CC=C(F)C=C1 SBB055393 [0,1,0,0,0,0|2,0,1]=4 404 B11R1.22 N\C(=N\O)C1=CC=C(F)C=C1 SBB024240 [0,1,0,0,0,0|2,0,1]=4 405 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 SBB038654 [0,1,0,0,0,0|1,0,2]=4 406 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 SBB006561 [0,1,0,0,0,0|1,0,2]=4 407 B11R1.22 O\N=C(/Cl)C1=CC=C(Cl)C=C1 SBB091038 [0,1,0,0,0,0|2,0,1]=4 408 B11R1.166 CC(=O)C1=C(C)C=C(F)C=C1 SBB086841 [0,1,0,0,0,0|1,0,2]=4 409 B11R1.166 CC(=O)C1=C(F)C=C(C)C=C1 SBB086842 [0,1,0,0,0,0|0,0,2]=3 410 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 SBB071469 [0,1,0,0,0,0|1,0,2]=4 411 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 SBB040836 [0,1,0,0,0,0|1,0,2]=4 412 B11R1.166 CC(=O)C1=CC=C(C)C=C1C SBB058451 [0,1,0,0,0,0|0,0,2]=3 413 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1Cl SBB063949 [0,1,0,0,0,0|1,0,2]=4 414 B11R1.166 CC(=O)C1=CC=C(F)C=C1Br SBB064291 [0,1,0,0,0,0|1,0,2]=4 415 B11R1.166 CC(=O)C1=CC=C(F)C=C1Cl SBB064482 [0,1,0,0,0,0|1,0,2]=4 416 B11R1.166 CC(=O)C1=CC=C(F)C=C1F SBB063127 [0,1,0,0,0,0|1,0,2]=4 417 B11R1.166 CC(=O)C1=CC=C(F)C=C1O SBB063885 [0,1,0,0,0,0|1,0,2]=4 418 B11R1.166 CC(=O)C1=CC=C(O)C=C1C SBB063800 [0,1,0,0,0,0|1,0,2]=4 419 B11R1.166 CC(N)C1=C(Cl)C=C(Cl)C=C1 SBB046783 [0,1,0,0,0,0|2,0,0]=3 420 B11R1.166 CC1=C(C(C)C)C=CC(N)=C1 SBB059023 [0,1,0,0,0,0|2,0,0]=3 421 B11R1.166 CC1=C(C(C)C)C=CC(N)=C1 SBB073013 [0,1,0,0,0,0|2,0,0]=3 422 B11R1.166 CC1=CC(Br)=C(C(=O)O)C=C1 SBB017616 [0,1,0,0,0,0|1,0,1]=3 423 B11R1.166 CC1=CC(Br)=CC=C1C(=O)O SBB064476 [0,1,0,0,0,0|2,0,1]=4 424 B11R1.166 CC1=CC(Br)=CC=C1N(C)C SBB094912 [0,1,0,0,0,0|3,0,0]=4 425 B11R1.166 CC1=CC(C)=C(C(C)N)C=C1 SBB020377 [0,1,0,0,0,0|1,0,0]=2 426 B11R1.166 CC1=CC(C)=C([N+](=O)[O-])C=C1 SBB061630 [0,1,0,0,0,0|2,0,1]=4 427 B11R1.166 CC1=CC(Cl)=CC=C1C(=O)O SBB052764 [0,1,0,0,0,0|2,0,1]=4 428 B11R1.166 CC1=CC(F)=C(C(=O)Cl)C=C1 SBB088707 [0,1,0,0,0,0|1,0,2]=4 429 B11R1.166 CC1=CC(F)=CC=C1B(O)O SBB052524 [0,1,0,0,0,0|3,0,0]=4 430 B11R1.166 CC1=CC(F)=CC=C1C(=O)O SBB062990 [0,1,0,0,0,0|2,0,1]=4 431 B11R1.166 CC1=CC(N)=C([N+](=O)[O-])C=C1 SBB058806 [0,1,0,0,0,0|2,0,1]=4 432 B11R1.166 CC1=CC(N)=CC=C1C(=O)O SBB063412 [0,1,0,0,0,0|2,0,1]=4 433 B11R1.166 CC1=CC(O)=C(C(=O)O)C=C1 SBB058803 [0,1,0,0,0,0|1,0,1]=3 434 B11R1.166 CC1=CC(O)=C(C(C)C)C=C1 SBB060429 [0,1,0,0,0,0|1,0,0]=2 435 B11R1.166 CC1=CC(O)=C([N+](=O)[O-])C=C1 SBB058773 [0,1,0,0,0,0|2,0,1]=4 436 B11R1.166 CC1=CC(O)=CC=C1B(O)O SBB071265 [0,1,0,0,0,0|3,0,0]=4 437 B11R1.166 CC1=CC(O)=CC=C1C(=O)O SBB064774 [0,1,0,0,0,0|2,0,1]=4 438 B11R1.166 CC1=CC=C(B(O)O)C(F)=C1 SBB071074 [0,1,0,0,0,0|2,0,0]=3 439 B11R1.166 CC1=CC=C(C(=O)Cl)C(C)=C1 SBB088219 [0,1,0,0,0,0|1,0,2]=4 440 B11R1.166 CC1=CC=C(C(=O)O)C(=O)N1 SBB004049 [0,1,0,0,0,0|2,0,1]=4 441 B11R1.166 CC1=CC=C(C(=O)O)C(C)=C1 SBB052762 [0,1,0,0,0,0|1,0,1]=3 442 B11R1.166 CC1=CC=C(C(=O)O)C(C)=N1 SBB053040 [0,1,0,0,0,0|2,0,1]=4 443 B11R1.166 CC1=CC=C(C(=O)O)C(Cl)=N1 SBB003843 [0,1,0,0,0,0|2,0,1]=4 444 B11R1.166 CC1=CC=C(C(=O)O)C(F)=C1 SBB063274 [0,1,0,0,0,0|1,0,1]=3 445 B11R1.166 CC1=CC=C(C(=O)O)C(N)=C1 SBB052651 [0,1,0,0,0,0|1,0,1]=3 446 B11R1.166 CC1=CC=C([N+](=O)[O-])C(Cl)=C1 SBB064201 [0,1,0,0,0,0|2,0,1]=4 447 B11R1.166 CC1=CC=C([N+](=O)[O-])C(F)=C1 SBB063399 [0,1,0,0,0,0|2,0,1]=4 448 B11R1.166 CC1=NC(O)=C(C(=O)O)C=C1 SBB028469 [0,1,0,0,0,0|2,0,1]=4 449 B11R1.166 C[C@H](N)C1=CC=C(F)C=C1F SBB070347 [0,1,0,0,0,0|2,0,0]=3 450 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=C1 SBB028134 [0,1,0,0,0,0|2,0,1]=4 451 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 SBB006590 [0,1,0,0,0,0|2,0,1]=4 452 B11R1.166 NC1=CC(Br)=CC=C1C(=O)O SBB052622 [0,1,0,0,0,0|2,0,1]=4 453 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 SBB008581 [0,1,0,0,0,0|2,0,1]=4 454 B11R1.166 NC1=CC(F)=C(C(=O)O)C=C1 SBB028315 [0,1,0,0,0,0|2,0,1]=4 455 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 SBB056794 [0,1,0,0,0,0|2,0,1]=4 456 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=C1 SBB003795 [0,1,0,0,0,0|2,0,1]=4 457 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=C1 SBB003833 [0,1,0,0,0,0|2,0,1]=4 458 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=C1 SBB003797 [0,1,0,0,0,0|2,0,1]=4 459 B11R1.166 O=C(O)C1=C(F)C=C(O)C=C1 SBB051451 [0,1,0,0,0,0|2,0,1]=4 460 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=C1 SBB058792 [0,1,0,0,0,0|2,0,1]=4 461 B11R1.166 O=C(O)C1=C(O)C=C(O)C=C1 SBB058728 [0,1,0,0,0,0|2,0,1]=4 462 B11R1.166 O=C(O)C1=CC=C(Br)C=C1Br SBB052783 [0,1,0,0,0,0|2,0,1]=4 463 B11R1.166 O=C(O)C1=CC=C(Br)C=C1Cl SBB052614 [0,1,0,0,0,0|2,0,1]=4 464 B11R1.166 O=C(O)C1=CC=C(Br)C=C1F SBB063037 [0,1,0,0,0,0|2,0,1]=4 465 B11R1.166 O=C(O)C1=CC=C(Cl)C=C1Br SBB063375 [0,1,0,0,0,0|2,0,1]=4 466 B11R1.166 O=C(O)C1=CC=C(Cl)C=C1Cl SBB040532 [0,1,0,0,0,0|2,0,1]=4 467 B11R1.166 O=C(O)C1=CC=C(F)C=C1Br SBB063576 [0,1,0,0,0,0|2,0,1]=4 468 B11R1.166 O=C(O)C1=CC=C(F)C=C1F SBB063446 [0,1,0,0,0,0|2,0,1]=4 469 B11R1.166 O=C(O)C1=CC=C(F)C=C1O SBB052701 [0,1,0,0,0,0|2,0,1]=4 470 B11R1.166 OB(O)C1=C(F)C=C(Br)C=C1 SBB095680 [0,1,0,0,0,0|3,0,0]=4 471 B11R1.166 OB(O)C1=C(F)C=C(F)C=C1 SBB048074 [0,1,0,0,0,0|3,0,0]=4 472 B11R1.166 OB(O)C1=C(O)C=C(F)C=C1 SBB087100 [0,1,0,0,0,0|3,0,0]=4 473 B11R1.166 OB(O)C1=CC=C(Cl)C=C1F SBB071071 [0,1,0,0,0,0|3,0,0]=4 474 B11R1.166 OB(O)C1=CC=C(F)C=C1Cl SBB071086 [0,1,0,0,0,0|3,0,0]=4 475 B11R2.34 FC1=CC=C([C@@H]2CO2)C=C1 SBB064278 [0,0,0,1,0,0|1,0,0]=2 476 B9R1.35 CC(=O)C1=CC(C)=CS1 SBB066532 [0,0,0,0,1,0|1,0,2]=4 477 B9R1.35 CC(=O)C1=CC=C(C)O1 SBB046935 [0,0,0,0,1,0|1,0,2]=4 478 B9R1.35 CC(=O)C1=CC=C(C)S1 SBB066533 [0,0,0,0,1,0|1,0,2]=4 479 B9R1.35 CC(N)C1=CN(C)N=C1 SBB026475 [0,0,0,0,1,0|3,0,0]=4 480 B9R1.35 CC(N)C1=NN(C)C=C1 SBB009481 [0,0,0,0,1,0|3,0,0]=4 481 B9R1.35 CC(O)C1=CC=C(F)S1 SBB073298 [0,0,0,0,1,0|2,0,0]=3 482 B9R1.35 CC1=CC(C(=O)O)=CS1 SBB009287 [0,0,0,0,1,0|2,0,1]=4 483 B9R1.35 CC1=CC=C(B(O)O)O1 SBB004261 [0,0,0,0,1,0|3,0,0]=4 484 B9R1.35 CC1=CC=C(B(O)O)S1 SBB004150 [0,0,0,0,1,0|3,0,0]=4 485 B9R1.35 CC1=CC=C(C(=O)O)O1 SBB005609 [0,0,0,0,1,0|2,0,1]=4 486 B9R1.35 CC1=CC=C(C(C)N)O1 SBB010239 [0,0,0,0,1,0|2,0,0]=3 487 B9R1.35 CC1=CSC(C(=O)O)=C1 SBB017915 [0,0,0,0,1,0|2,0,1]=4 488 B9R1.35 CC1=NN(C(C)C)C=C1 SBB024815 [0,0,0,0,1,0|3,0,0]=4 489 B9R1.35 OC(=O)C1=CC=C(C)S1 SBB004146 [0,0,0,0,1,0|2,0,1]=4 490 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 SBB058424 [0,0,0,0,0,1|1,0,2]=4 491 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 SBB086853 [0,0,0,0,0,1|1,0,2]=4 492 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 SBB054161 [0,0,0,0,0,1|1,0,2]=4 493 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 SBB059339 [0,0,0,0,0,1|0,0,2]=3 494 B11R1.20 CC(=O)NC1=CC=C(C)C=N1 SBB086721 [0,0,0,0,0,1|1,0,2]=4 495 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 SBB058218 [0,0,0,0,0,1|1,0,2]=4 496 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 SBB086906 [0,0,0,0,0,1|1,0,2]=4 497 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 SBB028292 [0,0,0,0,0,1|1,0,2]=4 498 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 SBB090514 [0,0,0,0,0,1|1,0,2]=4 499 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 SBB043758 [0,0,0,0,0,1|1,0,2]=4 500 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 SBB060032 [0,0,0,0,0,1|0,0,2]=3 501 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 SBB086983 [0,0,0,0,0,1|1,0,2]=4 502 B11R1.20 CC(C)OC1=CC=C(Br)C=C1 SBB047818 [0,0,0,0,0,1|2,0,0]=3 503 B11R1.20 CC(C)OC1=CC=C(N)C=C1 SBB010330 [0,0,0,0,0,1|2,0,0]=3 504 B11R1.20 CC(N)CC1=CC=C(Cl)C=C1 SBB000454 [0,0,0,0,0,1|2,0,0]=3 505 B11R1.20 CC(N)CC1=CC=C(F)C=C1 SBB052387 [0,0,0,0,0,1|2,0,0]=3 506 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 SBB063734 [0,0,0,0,0,1|1,0,1]=3 507 B11R1.20 CC1=CC=C(CC(N)=S)C=C1 SBB087944 [0,0,0,0,0,1|1,1,1]=4 508 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 SBB028290 [0,0,0,0,0,1|1,0,2]=4 509 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 SBB061970 [0,0,0,0,0,1|1,1,1]=4 510 B11R1.20 CC1=CC=C(OC(F)F)C=C1 SBB087277 [0,0,0,0,0,1|2,0,0]=3 511 B11R1.20 CN(C)CC1=CC=C(Br)C=C1 SBB109890 [0,0,0,0,0,1|3,0,0]=4 512 B11R1.20 FC(F)OC1=CC=C(Br)C=C1 SBB096413 [0,0,0,0,0,1|3,0,0]=4 513 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 SBB028301 [0,0,0,0,0,1|2,0,1]=4 514 B11R1.20 NC1=CC=C(OC(F)F)C=C1 SBB003981 [0,0,0,0,0,1|3,0,0]=4 515 B11R1.20 NC1=CC=C(SC(F)F)C=C1 SBB073004 [0,0,0,0,0,1|3,0,0]=4 516 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 SBB042842 [0,0,0,0,0,1|2,0,1]=4 517 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 SBB008374 [0,0,0,0,0,1|2,0,1]=4 518 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 SBB052671 [0,0,0,0,0,1|2,0,1]=4 519 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 SBB052672 [0,0,0,0,0,1|2,0,1]=4 520 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 SBB059600 [0,0,0,0,0,1|2,0,1]=4 521 B11R1.20 SC1=CC=C(NC(C)=O)C=C1 SBB003881 [0,0,0,0,0,1|1,0,2]=4 522 B8R1.2 BrCC1=CC=NC=C1 SBB054924 [2,0,0,0,0,0|2,0,0]=4 523 B8R1.2 BrCC1=NC=CC=C1 SBB054926 [2,0,0,0,0,0|2,0,0]=4 524 B8R1.2 C#CC1=CC=CC=C1 SBB040919 [2,0,0,0,0,0|0,0,2]=4 525 B8R1.2 CCC1=CC=CC=C1 SBB040891 [2,0,0,0,0,0|0,0,0]=2 526 B8R1.2 CCC1=CC=CC=N1 SBB060373 [2,0,0,0,0,0|1,0,0]=3 527 B8R1.2 CCC1=CC=NC=C1 SBB061128 [2,0,0,0,0,0|1,0,0]=3 528 B8R1.2 CCC1=CN=CC=C1 SBB060374 [2,0,0,0,0,0|1,0,0]=3 529 B8R1.2 CNC1=CC=CC=C1 SBB008162 [2,0,0,0,0,0|1,0,0]=3 530 B8R1.2 CNC1=CC=CC=C1 SBB059778 [2,0,0,0,0,0|1,0,0]=3 531 B8R1.2 ClCC1=CC=NC=C1 SBB003917 [2,0,0,0,0,0|2,0,0]=4 532 B8R1.2 ClCC1=NC=CC=C1 SBB054925 [2,0,0,0,0,0|2,0,0]=4 533 B8R1.2 N#CC1=CC=CC=C1 SBB028746 [2,0,0,0,0,0|1,0,1]=4 534 B8R1.2 NCC1=CC=CC=C1 SBB040473 [2,0,0,0,0,0|1,0,0]=3 535 B8R1.2 NCC1=CC=CN=C1 SBB004351 [2,0,0,0,0,0|2,0,0]=4 536 B8R1.2 NCC1=CC=NC=C1 SBB004350 [2,0,0,0,0,0|2,0,0]=4 537 B8R1.2 NCC1=NC=CC=C1 SBB004352 [2,0,0,0,0,0|2,0,0]=4 538 B8R1.2 NNC1=CC=CC=C1 SBB040886 [2,0,0,0,0,0|2,0,0]=4 539 B8R1.2 OCC1=CC=CC=C1 SBB058558 [2,0,0,0,0,0|0,0,0]=2 540 B8R1.2 OCC1=CC=CN=C1 SBB004344 [2,0,0,0,0,0|1,0,0]=3 541 B8R1.2 OCC1=CC=CN=N1 SBB054829 [2,0,0,0,0,0|2,0,0]=4 542 B8R1.2 OCC1=CC=NC=C1 SBB004347 [2,0,0,0,0,0|1,0,0]=3 543 B8R1.2 OCC1=CN=CN=C1 SBB065691 [2,0,0,0,0,0|2,0,0]=4 544 B8R1.2 OCC1=NC=CC=C1 SBB004348 [2,0,0,0,0,0|1,0,0]=3 545 B8R1.2 OCC1=NC=CN=C1 SBB054824 [2,0,0,0,0,0|2,0,0]=4 546 B8R1.2 OCC1=NC=NC=C1 SBB054828 [2,0,0,0,0,0|2,0,0]=4 547 B8R1.2 ONC1=CC=CC=C1 SBB008413 [2,0,0,0,0,0|1,0,0]=3 548 B8R1.2 [NH+]1=CC=CC(CCl)=C1 SBB061738 [2,0,0,0,0,0|2,0,0]=4 549 B8R1.2 [NH3+]NC1=CC=CC=C1 SBB060000 [2,0,0,0,0,0|2,0,0]=4 550 B8R1.3 CC1=CC=C(Br)C=C1 SBB040884 [2,0,0,0,0,0|1,0,0]=3 551 B8R1.3 CC1=CC=C(Br)C=N1 SBB088566 [2,0,0,0,0,0|2,0,0]=4 552 B8R1.3 CC1=CC=C(C)N=C1 SBB060370 [2,0,0,0,0,0|1,0,0]=3 553 B8R1.3 CC1=CC=C(Cl)C=C1 SBB040887 [2,0,0,0,0,0|1,0,0]=3 554 B8R1.3 CC1=CC=C(N)C=C1 SBB040498 [2,0,0,0,0,0|1,0,0]=3 555 B8R1.3 CC1=CC=C(N)C=C1 SBB073002 [2,0,0,0,0,0|1,0,0]=3 556 B8R1.3 CC1=CC=C(N)C=N1 SBB051894 [2,0,0,0,0,0|2,0,0]=4 557 B8R1.3 CC1=CC=C(O)C=C1 SBB040878 [2,0,0,0,0,0|0,0,0]=2 558 B8R1.3 CC1=CC=C(O)N=N1 SBB051111 [2,0,0,0,0,0|2,0,0]=4 559 B8R1.3 CC1=CN=C(Br)C=C1 SBB054301 [2,0,0,0,0,0|2,0,0]=4 560 B8R1.3 CC1=CN=C(C)C=N1 SBB058647 [2,0,0,0,0,0|2,0,0]=4 561 B8R1.3 CC1=CN=C(Cl)C=C1 SBB085698 [2,0,0,0,0,0|2,0,0]=4 562 B8R1.3 CC1=CN=C(N)C=C1 SBB004353 [2,0,0,0,0,0|2,0,0]=4 563 B8R1.3 CC1=CN=C(O)C=C1 SBB055600 [2,0,0,0,0,0|1,0,0]=3 564 B8R1.3 CC1=CN=C(O)N=C1 SBB026947 [2,0,0,0,0,0|2,0,0]=4 565 B8R1.3 CC1=CN=C(S)C=C1 SBB068990 [2,0,0,0,0,0|1,1,0]=4 566 B8R1.3 CC1=CNC(=O)C=C1 SBB040121 [2,0,0,0,0,0|1,0,1]=4 567 B8R1.3 CC1=NC=C(O)C=C1 SBB004349 [2,0,0,0,0,0|1,0,0]=3 568 B8R1.3 ClC1=CC=C(Br)C=C1 SBB060209 [2,0,0,0,0,0|2,0,0]=4 569 B8R1.3 FC1=CC=C(Br)C=C1 SBB088991 [2,0,0,0,0,0|2,0,0]=4 570 B8R1.3 FC1=CC=C(Cl)C=C1 SBB085775 [2,0,0,0,0,0|2,0,0]=4 571 B8R1.3 FC1=CC=C(I)C=C1 SBB096227 [2,0,0,0,0,0|2,0,0]=4 572 B8R1.3 NC1=CC=C(Br)C=C1 SBB040491 [2,0,0,0,0,0|2,0,0]=4 573 B8R1.3 NC1=CC=C(Cl)C=C1 SBB040490 [2,0,0,0,0,0|2,0,0]=4 574 B8R1.3 NC1=CC=C(F)C=C1 SBB040453 [2,0,0,0,0,0|2,0,0]=4 575 B8R1.3 NC1=CC=C(O)C=C1 SBB059792 [2,0,0,0,0,0|1,0,0]=3 576 B8R1.3 NC1=CC=C(O)N=C1 SBB028187 [2,0,0,0,0,0|2,0,0]=4 577 B8R1.3 NC1=CC=C(S)C=C1 SBB059850 [2,0,0,0,0,0|1,1,0]=4 578 B8R1.3 O=C1C=CC(=O)C=C1 SBB058657 [2,0,0,0,0,0|1,0,1]=4 579 B8R1.3 OC1=CC=C(Br)C=C1 SBB040917 [2,0,0,0,0,0|1,0,0]=3 580 B8R1.3 OC1=CC=C(Cl)C=C1 SBB040864 [2,0,0,0,0,0|1,0,0]=3 581 B8R1.3 OC1=CC=C(F)C=C1 SBB040810 [2,0,0,0,0,0|1,0,0]=3 582 B8R1.3 OC1=CC=C(O)C=C1 SBB060421 [2,0,0,0,0,0|1,0,0]=3 583 B8R1.3 OC1=CN=C(Cl)C=C1 SBB054276 [2,0,0,0,0,0|2,0,0]=4 584 B8R1.3 OC1=NC=C(Br)C=C1 SBB054347 [2,0,0,0,0,0|2,0,0]=4 585 B8R1.3 OC1=NC=C(Cl)C=C1 SBB054352 [2,0,0,0,0,0|2,0,0]=4 586 B8R1.3 OC1=NC=C(I)C=C1 SBB054372 [2,0,0,0,0,0|2,0,0]=4 587 B8R1.3 SC1=CC=C(Br)C=C1 SBB055148 [2,0,0,0,0,0|1,1,0]=4 588 B10R1.1 CC1=CC=C(CC#N)C=C1 SBB063995 [1,1,0,0,0,0|0,0,1]=3 589 B10R1.1 CC1=CC=C(CC=O)C=C1 SBB052212 [1,1,0,0,0,0|0,0,1]=3 590 B10R1.1 CC1=CC=C(CON)C=C1 SBB021738 [1,1,0,0,0,0|0,0,0]=2 591 B10R1.1 CC1=CC=C(N=C=O)C=C1 SBB061737 [1,1,0,0,0,0|0,0,2]=4 592 B10R1.1 CC1=CC=C(N=C=S)C=C1 SBB008290 [1,1,0,0,0,0|0,1,1]=4 593 B10R1.1 CC1=CC=C(NC=O)C=C1 SBB085897 [1,1,0,0,0,0|0,0,2]=4 594 B10R1.1 CCCC1=CC=C(N)C=C1 SBB008337 [1,1,0,0,0,0|1,0,0]=3 595 B10R1.1 CCCC1=CC=C(O)C=C1 SBB055506 [1,1,0,0,0,0|1,0,0]=3 596 B10R1.1 CCOC1=CC=C(Br)C=C1 SBB059353 [1,1,0,0,0,0|1,0,0]=3 597 B10R1.1 CCOC1=CC=C(C)C=C1 SBB060988 [1,1,0,0,0,0|0,0,0]=2 598 B10R1.1 CCOC1=CC=C(Cl)C=C1 SBB040853 [1,1,0,0,0,0|1,0,0]=3 599 B10R1.1 CCOC1=CC=C(F)C=C1 SBB086157 [1,1,0,0,0,0|1,0,0]=3 600 B10R1.1 CCOC1=CC=C(N)C=C1 SBB040442 [1,1,0,0,0,0|1,0,0]=3 601 B10R1.1 CCOC1=CC=C(N)C=C1 SBB073014 [1,1,0,0,0,0|1,0,0]=3 602 B10R1.1 CCOC1=CC=C(O)C=C1 SBB043810 [1,1,0,0,0,0|1,0,0]=3 603 B10R1.1 CCOC1=NC=C(Br)C=C1 SBB054264 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.1 CCSC1=CC=C(N)C=C1 SBB071614 [1,1,0,0,0,0|1,0,0]=3 605 B10R1.1 CNCC1=CC=C(C)C=C1 SBB079252 [1,1,0,0,0,0|0,0,0]=2 606 B10R1.1 CNCC1=CC=C(Cl)C=C1 SBB010371 [1,1,0,0,0,0|1,0,0]=3 607 B10R1.1 CNCC1=CC=C(F)C=C1 SBB005902 [1,1,0,0,0,0|1,0,0]=3 608 B10R1.1 CNCC1=CC=C(O)C=C1 SBB046545 [1,1,0,0,0,0|1,0,0]=3 609 B10R1.1 FC1=CC=C(CCCl)C=C1 SBB087329 [1,1,0,0,0,0|1,0,0]=3 610 B10R1.1 FC1=CC=C(C[Zn]Cl)C=C1 SBB094275 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.1 N#CCC1=CC=C(Br)C=C1 SBB055164 [1,1,0,0,0,0|1,0,1]=4 612 B10R1.1 N#CCC1=CC=C(Cl)C=C1 SBB004060 [1,1,0,0,0,0|1,0,1]=4 613 B10R1.1 N#CCC1=CC=C(F)C=C1 SBB063691 [1,1,0,0,0,0|1,0,1]=4 614 B10R1.1 N#CCC1=CC=C(N)C=C1 SBB004218 [1,1,0,0,0,0|1,0,1]=4 615 B10R1.1 N#CCC1=CC=C(O)C=C1 SBB063205 [1,1,0,0,0,0|1,0,1]=4 616 B10R1.1 NC1=CC=C(CCO)C=C1 SBB042772 [1,1,0,0,0,0|1,0,0]=3 617 B10R1.1 NCCC1=CC=C(F)C=C1 SBB003787 [1,1,0,0,0,0|1,0,0]=3 618 B10R1.1 NCCC1=CC=C(F)C=C1 SBB058811 [1,1,0,0,0,0|1,0,0]=3 619 B10R1.1 NCCC1=CC=C(O)C=C1 SBB003808 [1,1,0,0,0,0|1,0,0]=3 620 B10R1.1 O=CCC1=CC=C(Br)C=C1 SBB052205 [1,1,0,0,0,0|1,0,1]=4 621 B10R1.1 O=CCC1=CC=C(F)C=C1 SBB052206 [1,1,0,0,0,0|1,0,1]=4 622 B10R1.1 OCCC1=CC=C(Br)C=C1 SBB055082 [1,1,0,0,0,0|1,0,0]=3 623 B10R1.1 OCCC1=CC=C(F)C=C1 SBB086156 [1,1,0,0,0,0|1,0,0]=3 624 B10R1.1 OCCC1=CC=C(O)C=C1 SBB086008 [1,1,0,0,0,0|1,0,0]=3 625 B10R1.1 O\N=C\C1=CC=C(Cl)C=C1 SBB028657 [1,1,0,0,0,0|1,0,1]=4 626 B10R1.1 O\N=C\C1=CC=C(F)C=C1 SBB061927 [1,1,0,0,0,0|1,0,1]=4 627 B10R1.1 O\N=C\C1=CC=C(I)C=C1 SBB062104 [1,1,0,0,0,0|1,0,1]=4 628 B10R1.1 O\N=C\C1=CC=C(O)C=C1 SBB080079 [1,1,0,0,0,0|1,0,1]=4 629 B10R1.3 BrCC1=CC=C(CBr)C=C1 SBB038639 [1,1,0,0,0,0|1,0,0]=3 630 B10R1.3 C#CC1=CC=C(OC)C=C1 SBB063612 [1,1,0,0,0,0|0,0,2]=4 631 B10R1.3 CCC1=CC=C(C#N)C=C1 SBB059144 [1,1,0,0,0,0|0,0,1]=3 632 B10R1.3 CCC1=CC=C(C=O)C=C1 SBB040197 [1,1,0,0,0,0|0,0,1]=3 633 B10R1.3 CCC1=CC=C(CC)C=C1 SBB061169 [1,1,0,0,0,0|0,0,0]=2 634 B10R1.3 CCC1=CC=C(CN)C=C1 SBB017636 [1,1,0,0,0,0|0,0,0]=2 635 B10R1.3 CCC1=CC=C(NN)C=C1 SBB001777 [1,1,0,0,0,0|1,0,0]=3 636 B10R1.3 CCC1=CC=C(NN)C=C1 SBB064984 [1,1,0,0,0,0|1,0,0]=3 637 B10R1.3 CCC1=CC=C(OC)C=C1 SBB060457 [1,1,0,0,0,0|0,0,0]=2 638 B10R1.3 CNC1=CC=C(OC)C=C1 SBB072645 [1,1,0,0,0,0|1,0,0]=3 639 B10R1.3 COC1=CC=C(C#N)C=C1 SBB059484 [1,1,0,0,0,0|1,0,1]=4 640 B10R1.3 COC1=CC=C(C=O)C=C1 SBB040224 [1,1,0,0,0,0|0,0,2]=4 641 B10R1.3 COC1=CC=C(CBr)C=C1 SBB054916 [1,1,0,0,0,0|1,0,0]=3 642 B10R1.3 COC1=CC=C(CCl)C=C1 SBB040608 [1,1,0,0,0,0|1,0,0]=3 643 B10R1.3 COC1=CC=C(CN)C=C1 SBB040460 [1,1,0,0,0,0|1,0,0]=3 644 B10R1.3 COC1=CC=C(CO)C=C1 SBB063123 [1,1,0,0,0,0|0,0,0]=2 645 B10R1.3 COC1=CC=C(NN)C=C1 SBB012784 [1,1,0,0,0,0|2,0,0]=4 646 B10R1.3 COC1=CC=C(NN)C=C1 SBB063180 [1,1,0,0,0,0|2,0,0]=4 647 B10R1.3 COC1=CC=C(OC)C=C1 SBB060067 [1,1,0,0,0,0|1,0,0]=3 648 B10R1.3 CSC1=CC=C(C#N)C=C1 SBB058371 [1,1,0,0,0,0|1,0,1]=4 649 B10R1.3 CSC1=CC=C(C=O)C=C1 SBB040212 [1,1,0,0,0,0|0,0,2]=4 650 B10R1.3 CSC1=CC=C(CN)C=C1 SBB017654 [1,1,0,0,0,0|1,0,0]=3 651 B10R1.3 CSC1=CC=C(CO)C=C1 SBB064786 [1,1,0,0,0,0|0,0,0]=2 652 B10R1.3 ClCC1=CC=C(CCl)C=C1 SBB058873 [1,1,0,0,0,0|1,0,0]=3 653 B10R1.3 N#CC1=CC=C(CBr)C=C1 SBB040652 [1,1,0,0,0,0|1,0,1]=4 654 B10R1.3 N#CC1=CC=C(CCl)C=C1 SBB012810 [1,1,0,0,0,0|1,0,1]=4 655 B10R1.3 N#CC1=CC=C(CN)C=C1 SBB051423 [1,1,0,0,0,0|1,0,1]=4 656 B10R1.3 N#CC1=CC=C(CO)C=C1 SBB065161 [1,1,0,0,0,0|0,0,1]=3 657 B10R1.3 NCC1=CC=C(CN)C=C1 SBB069890 [1,1,0,0,0,0|1,0,0]=3 658 B10R1.3 NCC1=CC=C(CO)C=C1 SBB052367 [1,1,0,0,0,0|0,0,0]=2 659 B10R1.3 OCC1=CC=C(CO)C=C1 SBB008468 [1,1,0,0,0,0|0,0,0]=2 660 B10R1.25 CC1=C(CN)C=CC(Cl)=C1 SBB017658 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.25 CC1=C(CN)C=CC(F)=C1 SBB086092 [1,1,0,0,0,0|2,0,0]=4 662 B10R1.25 CC1=C(CO)C=CC(F)=C1 SBB086160 [1,1,0,0,0,0|1,0,0]=3 663 B10R1.25 CC1=CC(C)=C(C=O)C=C1 SBB058778 [1,1,0,0,0,0|0,0,2]=4 664 B10R1.25 CC1=CC(C)=C(CCl)C=C1 SBB005790 [1,1,0,0,0,0|1,0,0]=3 665 B10R1.25 CC1=CC(C)=C(NN)C=C1 SBB017144 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.25 CC1=CC(C)=C(NN)C=C1 SBB028155 [1,1,0,0,0,0|2,0,0]=4 667 B10R1.25 CC1=CC(F)=C(CBr)C=C1 SBB093047 [1,1,0,0,0,0|1,0,0]=3 668 B10R1.25 CC1=CC(F)=C(CN)C=C1 SBB086083 [1,1,0,0,0,0|1,0,0]=3 669 B10R1.25 CC1=CC(F)=C(CO)C=C1 SBB086161 [1,1,0,0,0,0|0,0,0]=2 670 B10R1.25 CC1=CC(N)=C(C#N)C=C1 SBB028138 [1,1,0,0,0,0|1,0,1]=4 671 B10R1.25 CC1=CC=C(C#N)C(C)=C1 SBB085784 [1,1,0,0,0,0|1,0,1]=4 672 B10R1.25 CC1=CC=C(C#N)C(Cl)=C1 SBB064366 [1,1,0,0,0,0|1,0,1]=4 673 B10R1.25 CC1=CC=C(C#N)C(F)=C1 SBB064084 [1,1,0,0,0,0|1,0,1]=4 674 B10R1.25 CC1=CC=C(C=O)C(Br)=C1 SBB064054 [1,1,0,0,0,0|0,0,2]=4 675 B10R1.25 CC1=CC=C(C=O)C(Cl)=C1 SBB052218 [1,1,0,0,0,0|0,0,2]=4 676 B10R1.25 CC1=CC=C(C=O)C(F)=C1 SBB063769 [1,1,0,0,0,0|0,0,2]=4 677 B10R1.25 CC1=CC=C(C=O)C(O)=C1 SBB052148 [1,1,0,0,0,0|0,0,2]=4 678 B10R1.25 CCC1=C(C)C=C(C)C=C1 SBB061315 [1,1,0,0,0,0|0,0,0]=2 679 B10R1.25 CCC1=C(N)N=C(C)C=C1 SBB028253 [1,1,0,0,0,0|1,0,0]=3 680 B10R1.25 CNC1=C(F)C=C(F)C=C1 SBB086276 [1,1,0,0,0,0|2,0,0]=4 681 B10R1.25 COC1=C(Br)C=C(F)C=C1 SBB093396 [1,1,0,0,0,0|2,0,0]=4 682 B10R1.25 COC1=C(C)C=C(F)C=C1 SBB086153 [1,1,0,0,0,0|2,0,0]=4 683 B10R1.25 COC1=C(Cl)C=C(F)C=C1 SBB087483 [1,1,0,0,0,0|2,0,0]=4 684 B10R1.25 COC1=C(Cl)C=C(N)C=C1 SBB004001 [1,1,0,0,0,0|2,0,0]=4 685 B10R1.25 COC1=C(F)C=C(Br)C=C1 SBB093394 [1,1,0,0,0,0|2,0,0]=4 686 B10R1.25 COC1=C(F)C=C(Cl)C=C1 SBB087482 [1,1,0,0,0,0|2,0,0]=4 687 B10R1.25 COC1=C(F)C=C(F)C=C1 SBB086326 [1,1,0,0,0,0|2,0,0]=4 688 B10R1.25 COC1=C(I)C=C(N)C=C1 SBB072089 [1,1,0,0,0,0|2,0,0]=4 689 B10R1.25 COC1=C(O)C=C(C)C=C1 SBB008267 [1,1,0,0,0,0|1,0,0]=3 690 B10R1.25 COC1=C(O)C=C(N)C=C1 SBB007884 [1,1,0,0,0,0|2,0,0]=4 691 B10R1.25 COC1=CC=C(C)C=C1C SBB061025 [1,1,0,0,0,0|1,0,0]=3 692 B10R1.25 COC1=CC=C(C)C=C1N SBB040483 [1,1,0,0,0,0|1,0,0]=3 693 B10R1.25 COC1=CC=C(Cl)C=C1C SBB058911 [1,1,0,0,0,0|2,0,0]=4 694 B10R1.25 COC1=CC=C(Cl)C=C1Cl SBB061030 [1,1,0,0,0,0|2,0,0]=4 695 B10R1.25 COC1=CC=C(Cl)C=C1N SBB040470 [1,1,0,0,0,0|2,0,0]=4 696 B10R1.25 COC1=CC=C(Cl)C=C1O SBB055202 [1,1,0,0,0,0|2,0,0]=4 697 B10R1.25 COC1=CC=C(F)C=C1N SBB051693 [1,1,0,0,0,0|2,0,0]=4 698 B10R1.25 COC1=CC=C(N)C=C1C SBB085975 [1,1,0,0,0,0|2,0,0]=4 699 B10R1.25 COC1=CC=C(N)C=C1F SBB028264 [1,1,0,0,0,0|2,0,0]=4 700 B10R1.25 COC1=CC=C(N)C=C1N SBB061625 [1,1,0,0,0,0|2,0,0]=4 701 B10R1.25 CSC1=C(C)C=C(O)C=C1 SBB071462 [1,1,0,0,0,0|2,0,0]=4 702 B10R1.25 CSC1=C(N)C=C(Cl)C=C1 SBB088828 [1,1,0,0,0,0|2,0,0]=4 703 B10R1.25 ClCC1=C(Cl)C=C(Cl)C=C1 SBB040682 [1,1,0,0,0,0|2,0,0]=4 704 B10R1.25 FC1=C(CCl)C=CC(Br)=C1 SBB048036 [1,1,0,0,0,0|2,0,0]=4 705 B10R1.25 FC1=CC(Cl)=CC=C1CBr SBB070819 [1,1,0,0,0,0|2,0,0]=4 706 B10R1.25 FC1=CC(F)=C(CBr)C=C1 SBB006567 [1,1,0,0,0,0|2,0,0]=4 707 B10R1.25 FC1=CC(F)=C(CCl)C=C1 SBB048038 [1,1,0,0,0,0|2,0,0]=4 708 B10R1.25 FC1=CC=C(CBr)C(Cl)=C1 SBB005762 [1,1,0,0,0,0|2,0,0]=4 709 B10R1.25 FC1=CC=C(CCl)C(Cl)=C1 SBB005760 [1,1,0,0,0,0|2,0,0]=4 710 B10R1.25 NCC1=C(Cl)C=C(Cl)C=C1 SBB040461 [1,1,0,0,0,0|2,0,0]=4 711 B10R1.25 NCC1=C(Cl)C=C(Cl)C=C1 SBB080442 [1,1,0,0,0,0|2,0,0]=4 712 B10R1.25 NCC1=C(F)C=C(Br)C=C1 SBB099311 [1,1,0,0,0,0|2,0,0]=4 713 B10R1.25 NCC1=C(F)C=C(Cl)C=C1 SBB003972 [1,1,0,0,0,0|2,0,0]=4 714 B10R1.25 NCC1=C(F)C=C(F)C=C1 SBB048024 [1,1,0,0,0,0|2,0,0]=4 715 B10R1.25 NCC1=CC=C(F)C=C1Cl SBB028337 [1,1,0,0,0,0|2,0,0]=4 716 B10R1.25 OCC1=C(F)C=C(Br)C=C1 SBB005826 [1,1,0,0,0,0|1,0,0]=3 717 B10R1.25 OCC1=C(F)C=C(Cl)C=C1 SBB087481 [1,1,0,0,0,0|1,0,0]=3 718 B10R1.25 OCC1=C(F)C=C(F)C=C1 SBB064044 [1,1,0,0,0,0|1,0,0]=3 719 B10R1.25 OCC1=CC=C(Cl)C=C1Cl SBB058556 [1,1,0,0,0,0|1,0,0]=3 720 B10R1.25 OCC1=CC=C(Cl)N=C1Cl SBB089352 [1,1,0,0,0,0|2,0,0]=4 721 B10R1.25 OCC1=CC=C(F)C=C1Cl SBB006607 [1,1,0,0,0,0|1,0,0]=3 722 B10R1.176 C(=O)C1=CC=C(C)C(F)=C1 SBB086003 [1,1,0,0,0,0|0,0,2]=4 723 B10R1.176 CC1=C(C)C=C(C#N)C=C1 SBB055432 [1,1,0,0,0,0|1,0,1]=4 724 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 SBB052374 [1,1,0,0,0,0|1,0,0]=3 725 B10R1.176 CC1=C(F)C=C(C#N)C=C1 SBB055119 [1,1,0,0,0,0|1,0,1]=4 726 B10R1.176 CC1=C(N)C=C(CO)C=C1 SBB054776 [1,1,0,0,0,0|0,0,0]=2 727 B10R1.176 CC1=CC(CN)=CC=C1F SBB069920 [1,1,0,0,0,0|2,0,0]=4 728 B10R1.176 CC1=CC=C(C#N)C=C1Br SBB064890 [1,1,0,0,0,0|1,0,1]=4 729 B10R1.176 CC1=CC=C(C=O)C=C1C SBB063355 [1,1,0,0,0,0|0,0,2]=4 730 B10R1.176 CC1=CC=C(CCl)C=C1Cl SBB008275 [1,1,0,0,0,0|1,0,0]=3 731 B10R1.176 CC1=CC=C(CN)C=C1C SBB028250 [1,1,0,0,0,0|1,0,0]=3 732 B10R1.176 CC1=CC=C(CN)C=C1F SBB069916 [1,1,0,0,0,0|1,0,0]=3 733 B10R1.176 CC1=CC=C(CO)C=C1C SBB063329 [1,1,0,0,0,0|0,0,0]=2 734 B10R1.176 CC1=CC=C(CO)C=C1Cl SBB008274 [1,1,0,0,0,0|0,0,0]=2 735 B10R1.176 CC1=CC=C(CO)C=C1F SBB086169 [1,1,0,0,0,0|0,0,0]=2 736 B10R1.176 CC1=CC=C(NN)C=C1C SBB028372 [1,1,0,0,0,0|2,0,0]=4 737 B10R1.176 CC1=CC=C(NN)C=C1Cl SBB017154 [1,1,0,0,0,0|2,0,0]=4 738 B10R1.176 CC1=CC=C(NN)C=C1Cl SBB068778 [1,1,0,0,0,0|2,0,0]=4 739 B10R1.176 CCC1=CC(C)=C(C)C=C1 SBB061288 [1,1,0,0,0,0|0,0,0]=2 740 B10R1.176 CCC1=CC=C(O)C(N)=C1 SBB000071 [1,1,0,0,0,0|1,0,0]=3 741 B10R1.176 CNC1=CC(Cl)=C(Cl)C=C1 SBB051773 [1,1,0,0,0,0|2,0,0]=4 742 B10R1.176 COC1=CC(C)=C(F)C=C1 SBB086166 [1,1,0,0,0,0|2,0,0]=4 743 B10R1.176 COC1=CC(Cl)=C(F)C=C1 SBB087476 [1,1,0,0,0,0|2,0,0]=4 744 B10R1.176 COC1=CC(F)=C(Br)C=C1 SBB055267 [1,1,0,0,0,0|2,0,0]=4 745 B10R1.176 COC1=CC(F)=C(Cl)C=C1 SBB087475 [1,1,0,0,0,0|2,0,0]=4 746 B10R1.176 COC1=CC(F)=C(F)C=C1 SBB086325 [1,1,0,0,0,0|2,0,0]=4 747 B10R1.176 COC1=CC(N)=C(C)C=C1 SBB058810 [1,1,0,0,0,0|1,0,0]=3 748 B10R1.176 COC1=CC(N)=C(O)C=C1 SBB009779 [1,1,0,0,0,0|2,0,0]=4 749 B10R1.176 COC1=CC=C(Br)C(C)=C1 SBB054214 [1,1,0,0,0,0|2,0,0]=4 750 B10R1.176 COC1=CC=C(Br)C(N)=C1 SBB051753 [1,1,0,0,0,0|2,0,0]=4 751 B10R1.176 COC1=CC=C(C)C(F)=C1 SBB086170 [1,1,0,0,0,0|1,0,0]=3 752 B10R1.176 COC1=CC=C(Cl)C(C)=C1 SBB061027 [1,1,0,0,0,0|2,0,0]=4 753 B10R1.176 COC1=CC=C(Cl)C(N)=C1 SBB008038 [1,1,0,0,0,0|2,0,0]=4 754 B10R1.176 COC1=CC=C(N)C(C)=C1 SBB080570 [1,1,0,0,0,0|2,0,0]=4 755 B10R1.176 COC1=CC=C(N)C(F)=C1 SBB071687 [1,1,0,0,0,0|2,0,0]=4 756 B10R1.176 COC1=CC=C(N)C(N)=C1 SBB048084 [1,1,0,0,0,0|2,0,0]=4 757 B10R1.176 ClC1=C(Cl)C=C(CBr)C=C1 SBB005763 [1,1,0,0,0,0|2,0,0]=4 758 B10R1.176 ClCC1=CC(Cl)=C(Cl)C=C1 SBB040647 [1,1,0,0,0,0|2,0,0]=4 759 B10R1.176 FC1=C(F)C=C(CBr)C=C1 SBB006563 [1,1,0,0,0,0|2,0,0]=4 760 B10R1.176 FC1=CC=C(CBr)C=C1Cl SBB070823 [1,1,0,0,0,0|2,0,0]=4 761 B10R1.176 FC1=CC=C(CCl)C=C1F SBB087651 [1,1,0,0,0,0|2,0,0]=4 762 B10R1.176 NCC1=CC(Cl)=C(Cl)C=C1 SBB052429 [1,1,0,0,0,0|2,0,0]=4 763 B10R1.176 NCC1=CC(F)=C(F)C=C1 SBB052378 [1,1,0,0,0,0|2,0,0]=4 764 B10R1.176 NCC1=CC=C(Cl)C(F)=C1 SBB028335 [1,1,0,0,0,0|2,0,0]=4 765 B10R1.176 NCC1=CC=C(F)C(Cl)=C1 SBB028338 [1,1,0,0,0,0|2,0,0]=4 766 B10R1.176 OCC1=CC(=O)C(O)=CO1 SBB005397 [1,1,0,0,0,0|2,0,0]=4 767 B10R1.176 OCC1=CC(Cl)=C(Cl)N=C1 SBB054797 [1,1,0,0,0,0|2,0,0]=4 768 B10R1.176 OCC1=CC=C(Br)C(F)=C1 SBB064812 [1,1,0,0,0,0|1,0,0]=3 769 B10R1.176 OCC1=CC=C(Cl)C(Cl)=C1 SBB058561 [1,1,0,0,0,0|1,0,0]=3 770 B10R1.176 OCC1=CC=C(F)C(Br)=C1 SBB063481 [1,1,0,0,0,0|1,0,0]=3 771 B10R1.176 OCC1=CC=C(F)C(Cl)=C1 SBB087471 [1,1,0,0,0,0|1,0,0]=3 772 B10R1.176 OCC1=CC=C(F)C(F)=C1 SBB064494 [1,1,0,0,0,0|1,0,0]=3 773 B10R1.176 [NH3+]CC1=CC=C(F)C(Br)=C1 SBB058425 [1,1,0,0,0,0|2,0,0]=4 774 B10R1.15 BrCC(Br)C1=CC=CC=C1 SBB058656 [1,1,0,0,0,0|1,0,0]=3 775 B10R1.15 C#CC(O)C1=CC=CC=C1 SBB008986 [1,1,0,0,0,0|0,0,1]=3 776 B10R1.15 C(=O)C(C)C1=CC=CC=C1 SBB007693 [1,1,0,0,0,0|0,0,1]=3 777 B10R1.15 CC(CN)C1=CC=CC=C1 SBB028247 [1,1,0,0,0,0|1,0,0]=3 778 B10R1.15 CC(CO)C1=CC=CC=C1 SBB007853 [1,1,0,0,0,0|0,0,0]=2 779 B10R1.15 CCC(=O)C1=CC=CC=C1 SBB058853 [1,1,0,0,0,0|0,0,2]=4 780 B10R1.15 CCC(Br)C1=CC=CC=C1 SBB060201 [1,1,0,0,0,0|1,0,0]=3 781 B10R1.15 CCC(C)C1=CC=CC=C1 SBB060615 [1,1,0,0,0,0|1,0,0]=3 782 B10R1.15 CCC(N)C1=CC=CC=C1 SBB029878 [1,1,0,0,0,0|1,0,0]=3 783 B10R1.15 CCC(N)C1=CC=CC=C1 SBB080382 [1,1,0,0,0,0|1,0,0]=3 784 B10R1.15 CCC(O)C1=CC=CC=C1 SBB058750 [1,1,0,0,0,0|0,0,0]=2 785 B10R1.15 CN(C=O)C1=CC=CC=C1 SBB056830 [1,1,0,0,0,0|1,0,1]=4 786 B10R1.15 CNC(=O)C1=CC=CC=C1 SBB051421 [1,1,0,0,0,0|0,0,2]=4 787 B10R1.15 COC(=N)C1=CC=CC=C1 SBB055305 [1,1,0,0,0,0|1,0,1]=4 788 B10R1.15 COC(=O)C1=CC=CC=C1 SBB058212 [1,1,0,0,0,0|0,0,2]=4 789 B10R1.15 C[C@H](CN)C1=CC=CC=C1 SBB052360 [1,1,0,0,0,0|1,0,0]=3 790 B10R1.15 C\C(=N/N)C1=CC=CC=C1 SBB069878 [1,1,0,0,0,0|1,0,1]=4 791 B10R1.15 C\C(=N/O)C1=CC=NC=C1 SBB000069 [1,1,0,0,0,0|1,0,1]=4 792 B10R1.15 C\C(=N/O)C1=CN=CC=C1 SBB085929 [1,1,0,0,0,0|1,0,1]=4 793 B10R1.15 C\C(=N\O)C1=CC=CC=C1 SBB085898 [1,1,0,0,0,0|0,0,1]=3 794 B10R1.15 C\C(=N\O)C1=CC=CC=N1 SBB085936 [1,1,0,0,0,0|1,0,1]=4 795 B10R1.15 ClCC(Cl)C1=CC=CC=C1 SBB007931 [1,1,0,0,0,0|1,0,0]=3 796 B10R1.15 N#CC(Br)C1=CC=CC=C1 SBB061313 [1,1,0,0,0,0|1,0,1]=4 797 B10R1.15 N#CC(N)C1=CC=CC=C1 SBB003872 [1,1,0,0,0,0|1,0,1]=4 798 B10R1.15 NCC(=O)C1=CC=CC=C1 SBB063139 [1,1,0,0,0,0|0,0,2]=4 799 B10R1.15 NCC(=O)C1=CC=CC=C1 SBB066026 [1,1,0,0,0,0|0,0,2]=4 800 B10R1.15 NCC(O)C1=CC=CC=C1 SBB063224 [1,1,0,0,0,0|0,0,0]=2 801 B10R1.15 N[C@H](CO)C1=CC=CC=C1 SBB006667 [1,1,0,0,0,0|1,0,0]=3 802 B10R1.15 N\C(=N/O)C1=CC=CC=C1 SBB015043 [1,1,0,0,0,0|1,0,1]=4 803 B10R1.15 N\C(=N/O)C1=CC=CC=C1 SBB055109 [1,1,0,0,0,0|1,0,1]=4 804 B10R1.15 O=C(CO)C1=CC=CC=C1 SBB085926 [1,1,0,0,0,0|0,0,2]=4 805 B10R1.15 O=C(NO)C1=CC=CC=C1 SBB058405 [1,1,0,0,0,0|1,0,1]=4 806 B10R1.15 OCC(O)C1=CC=CC=C1 SBB063119 [1,1,0,0,0,0|0,0,0]=2 807 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 SBB064282 [1,1,0,0,0,0|0,0,0]=2 808 B10R1.15 [NH3+]CC(=O)C1=CC=CC=C1 SBB061439 [1,1,0,0,0,0|0,0,2]=4 809 B10R1.28 CC(C)(C)C1=CC=CC=C1 SBB040882 [1,1,0,0,0,0|1,0,0]=3 810 B10R1.28 CC(C)(C)C1=CC=CC=N1 SBB085909 [1,1,0,0,0,0|2,0,0]=4 811 B10R1.28 CC(C)(N)C1=CC=CC=C1 SBB028249 [1,1,0,0,0,0|1,0,0]=3 812 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 SBB037857 [1,1,0,0,0,0|1,0,1]=4 813 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 SBB040857 [1,1,0,0,0,0|0,0,2]=4 814 B10R1.61 CC(=O)C1=C(N)C=CC=C1 SBB058825 [1,1,0,0,0,0|0,0,2]=4 815 B10R1.61 CC(=O)C1=CC=CC=C1C SBB063140 [1,1,0,0,0,0|0,0,2]=4 816 B10R1.61 CC(=O)C1=CC=CC=C1Cl SBB040259 [1,1,0,0,0,0|0,0,2]=4 817 B10R1.61 CC(=O)C1=CC=CC=C1F SBB058458 [1,1,0,0,0,0|0,0,2]=4 818 B10R1.61 CC(=O)C1=CC=CC=C1I SBB064803 [1,1,0,0,0,0|0,0,2]=4 819 B10R1.61 CC(=O)C1=CC=CC=C1O SBB040261 [1,1,0,0,0,0|0,0,2]=4 820 B10R1.61 CC(C)C1=C(Br)C=CC=C1 SBB092412 [1,1,0,0,0,0|1,0,0]=3 821 B10R1.61 CC(C)C1=C(N)C=CC=C1 SBB040455 [1,1,0,0,0,0|1,0,0]=3 822 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 SBB046790 [1,1,0,0,0,0|1,0,0]=3 823 B10R1.61 CC(O)C1=CC=CC=C1N SBB072985 [1,1,0,0,0,0|0,0,0]=2 824 B10R1.61 CC1=C(C(=O)O)C=CC=C1 SBB040521 [1,1,0,0,0,0|1,0,1]=4 825 B10R1.61 CC1=CC=CC=C1B(O)O SBB052539 [1,1,0,0,0,0|2,0,0]=4 826 B10R1.61 CS(=O)C1=C(F)C=CC=C1 SBB087301 [1,1,0,0,0,0|1,0,1]=4 827 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 SBB086152 [1,1,0,0,0,0|0,0,0]=2 828 B10R1.61 C[C@H](O)C1=CC=CC=C1Br SBB064753 [1,1,0,0,0,0|0,0,0]=2 829 B10R1.61 C[C@H](O)C1=CC=CC=C1Cl SBB064728 [1,1,0,0,0,0|0,0,0]=2 830 B10R1.61 NC1=CC=CC=C1B(O)O SBB069893 [1,1,0,0,0,0|2,0,0]=4 831 B10R1.61 O=C(O)C1=CC=CC=C1Br SBB058412 [1,1,0,0,0,0|1,0,1]=4 832 B10R1.61 O=C(O)C1=CC=CC=C1Cl SBB040524 [1,1,0,0,0,0|1,0,1]=4 833 B10R1.61 O=C(O)C1=CC=CC=C1F SBB040569 [1,1,0,0,0,0|1,0,1]=4 834 B10R1.61 O=C(O)C1=CC=CC=C1I SBB063117 [1,1,0,0,0,0|1,0,1]=4 835 B10R1.61 O=C(O)C1=CC=CC=C1O SBB052826 [1,1,0,0,0,0|1,0,1]=4 836 B10R1.61 OB(O)C1=C(F)C=CC=C1 SBB048079 [1,1,0,0,0,0|2,0,0]=4 837 B10R1.61 OB(O)C1=CC=CC=C1Cl SBB048063 [1,1,0,0,0,0|2,0,0]=4 838 B10R1.61 OB(O)C1=CC=CC=C1O SBB071215 [1,1,0,0,0,0|2,0,0]=4 839 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 SBB040258 [1,1,0,0,0,0|0,0,2]=4 840 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 SBB055121 [1,1,0,0,0,0|0,0,2]=4 841 B10R1.113 CC(=O)C1=CC=CC(C)=C1 SBB061772 [1,1,0,0,0,0|0,0,2]=4 842 B10R1.113 CC(=O)C1=CC=CC(F)=C1 SBB063564 [1,1,0,0,0,0|0,0,2]=4 843 B10R1.113 CC(=O)C1=CC=CC(N)=C1 SBB058713 [1,1,0,0,0,0|0,0,2]=4 844 B10R1.113 CC(=O)C1=CC=CC(O)=C1 SBB040280 [1,1,0,0,0,0|0,0,2]=4 845 B10R1.113 CC(N)C1=CC(Br)=CC=C1 SBB047651 [1,1,0,0,0,0|1,0,0]=3 846 B10R1.113 CC(N)C1=CC(Cl)=CC=C1 SBB046822 [1,1,0,0,0,0|1,0,0]=3 847 B10R1.113 CC(N)C1=CC=CC(O)=C1 SBB080427 [1,1,0,0,0,0|1,0,0]=3 848 B10R1.113 CC(O)C1=CC(N)=CC=C1 SBB008559 [1,1,0,0,0,0|0,0,0]=2 849 B10R1.113 CC(O)C1=CC=CC(Cl)=C1 SBB068833 [1,1,0,0,0,0|0,0,0]=2 850 B10R1.113 CC(O)C1=CC=C[N+]([O-])=C1 SBB086069 [1,1,0,0,0,0|1,0,0]=3 851 B10R1.113 CC1=CC(B(O)O)=CC=C1 SBB048058 [1,1,0,0,0,0|2,0,0]=4 852 B10R1.113 CC1=CC(C(Br)Br)=CC=C1 SBB061660 [1,1,0,0,0,0|2,0,0]=4 853 B10R1.113 CC1=CC(N(C)C)=CC=C1 SBB008276 [1,1,0,0,0,0|2,0,0]=4 854 B10R1.113 CC1=CC=CC(C(=O)O)=C1 SBB040526 [1,1,0,0,0,0|1,0,1]=4 855 B10R1.113 CC1=CC=CC(C(C)C)=C1 SBB061535 [1,1,0,0,0,0|1,0,0]=3 856 B10R1.113 CC1=CC=CC(C(C)N)=C1 SBB046820 [1,1,0,0,0,0|1,0,0]=3 857 B10R1.113 CN(C)C1=CC=CC(Cl)=C1 SBB008273 [1,1,0,0,0,0|2,0,0]=4 858 B10R1.113 CN(C)C1=CC=CC(F)=C1 SBB086090 [1,1,0,0,0,0|2,0,0]=4 859 B10R1.113 C[C@@H](O)C1=CC=CC(Br)=C1 SBB064272 [1,1,0,0,0,0|0,0,0]=2 860 B10R1.113 C[C@@H](O)C1=CC=CC(F)=C1 SBB086151 [1,1,0,0,0,0|0,0,0]=2 861 B10R1.113 NC1=CC(C(=O)O)=CC=C1 SBB028148 [1,1,0,0,0,0|1,0,1]=4 862 B10R1.113 NC1=CC=CC(B(O)O)=C1 SBB052525 [1,1,0,0,0,0|2,0,0]=4 863 B10R1.113 NC1=CC=CC(C(=O)O)=C1 SBB017556 [1,1,0,0,0,0|1,0,1]=4 864 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 SBB040525 [1,1,0,0,0,0|1,0,1]=4 865 B10R1.113 O=C(O)C1=CC(F)=CC=C1 SBB052761 [1,1,0,0,0,0|1,0,1]=4 866 B10R1.113 O=C(O)C1=CC(I)=CC=C1 SBB052819 [1,1,0,0,0,0|1,0,1]=4 867 B10R1.113 O=C(O)C1=CC(O)=CC=C1 SBB058844 [1,1,0,0,0,0|1,0,1]=4 868 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 SBB058408 [1,1,0,0,0,0|1,0,1]=4 869 B10R1.113 OB(O)C1=CC(N)=CC=C1 SBB004197 [1,1,0,0,0,0|2,0,0]=4 870 B10R1.113 OB(O)C1=CC(O)=CC=C1 SBB052523 [1,1,0,0,0,0|2,0,0]=4 871 B10R1.113 OB(O)C1=CC=CC(Br)=C1 SBB092696 [1,1,0,0,0,0|2,0,0]=4 872 B10R1.113 OB(O)C1=CC=CC(Cl)=C1 SBB048059 [1,1,0,0,0,0|2,0,0]=4 873 B10R1.113 OB(O)C1=CC=CC(F)=C1 SBB048069 [1,1,0,0,0,0|2,0,0]=4 874 B10R1.113 OB(O)C1=CC=CC(I)=C1 SBB071105 [1,1,0,0,0,0|2,0,0]=4 875 B10R1.31 CCN1C=C(C(C)O)C=N1 SBB026904 [0,1,0,0,1,0|2,0,0]=4 876 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 SBB019521 [0,1,0,0,0,1|1,0,1]=4 877 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 SBB010165 [0,1,0,0,0,1|1,0,0]=3 878 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 SBB080381 [0,1,0,0,0,1|1,0,0]=3 879 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 SBB058345 [0,1,0,0,0,1|1,0,1]=4 880 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 SBB058529 [0,1,0,0,0,1|0,0,2]=4 881 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 SBB056791 [0,1,0,0,0,1|0,0,2]=4 882 B12R1.4 CSC1=CC=C(CC(=O)O)C=C1 SBB068771 [0,1,0,0,0,1|1,0,1]=4 883 B12R1.4 CSC1=CC=C(NC(C)=O)C=C1 SBB115654 [0,1,0,0,0,1|0,0,2]=4 884 B12R1.4 FC(F)OC1=CC=C(CBr)C=C1 SBB098721 [0,1,0,0,0,1|2,0,0]=4 885 B12R1.4 NCC1=CC=C(OC(F)F)C=C1 SBB088738 [0,1,0,0,0,1|2,0,0]=4 886 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 SBB063870 [0,1,0,0,0,1|1,0,1]=4 887 B12R1.4 OCC1=CC=C(OC(F)F)C=C1 SBB071478 [0,1,0,0,0,1|2,0,0]=4 888 B12R1.19 CC(=O)NC1=CC(Cl)=C(C)C=C1 SBB090087 [0,1,0,0,0,1|0,0,2]=4 889 B12R1.19 CC(C)OC1=CC(F)=C(F)C=C1 SBB088621 [0,1,0,0,0,1|2,0,0]=4 890 B12R1.19 CC1=CC=C(CC(=O)O)C=C1C SBB017956 [0,1,0,0,0,1|1,0,1]=4 891 B12R1.19 CC1=CC=C(CC(=O)O)C=C1F SBB088167 [0,1,0,0,0,1|1,0,1]=4 892 B12R1.20 CC(C)C(=O)C1=CC=C(F)C=C1 SBB088008 [0,1,0,0,0,1|2,0,0]=4 893 B12R1.20 CC(C)C(N)C1=CC=C(F)C=C1 SBB085363 [0,1,0,0,0,1|2,0,0]=4 894 B12R1.20 CC(Cl)C(=O)C1=CC=C(F)C=C1 SBB064057 [0,1,0,0,0,1|2,0,0]=4 895 B12R1.20 CC1=CC=C(C(C)C(=O)O)C=C1 SBB037860 [0,1,0,0,0,1|1,0,1]=4 896 B12R1.20 CC1=CC=C(C(O)C(=O)O)C=C1 SBB065020 [0,1,0,0,0,1|1,0,1]=4 897 B12R1.20 [NH3+]C(C)C(O)C1=CC=C(O)C=C1 SBB056907 [0,1,0,0,0,1|2,0,0]=4 898 B12R1.49 CC1=CC=C(NC(=O)CBr)C=C1 SBB050418 [0,1,0,0,0,1|0,0,2]=4 899 B12R1.49 CC1=CC=C(NC(=O)CCl)C=C1 SBB004507 [0,1,0,0,0,1|0,0,2]=4 900 B12R1.49 CC1=CC=C(NC(=O)CN)C=C1 SBB004993 [0,1,0,0,0,1|0,0,2]=4 901 B12R1.49 CC1=CC=C(NC(=O)CS)C=C1 SBB083090 [0,1,0,0,0,1|0,0,2]=4 902 B12R1.49 CC1=CC=C(OC(=O)CCl)C=C1 SBB060341 [0,1,0,0,0,1|0,0,2]=4 903 B12R1.49 CC1=CC=C(OC(C)CN)C=C1 SBB027665 [0,1,0,0,0,1|1,0,0]=3 904 B12R1.49 CNC(=S)NC1=CC=C(C)C=C1 SBB003745 [0,1,0,0,0,1|0,1,1]=4 905 B12R1.49 CSC(=S)NC1=CC=C(C)C=C1 SBB042895 [0,1,0,0,0,1|0,1,1]=4 906 B12R1.106 CC(C)(C)OC1=CC=C(Br)C=C1 SBB097405 [0,1,0,0,0,1|2,0,0]=4 907 B12R1.106 CC(C)(C)OC1=CC=C(O)C=C1 SBB116866 [0,1,0,0,0,1|2,0,0]=4 908 B12R1.106 CC(C)(N)CC1=CC=C(F)C=C1 SBB052383 [0,1,0,0,0,1|2,0,0]=4 909 B12R1.106 CC(C)(N)CC1=CC=C(F)C=C1 SBB093201 [0,1,0,0,0,1|2,0,0]=4 910 B12R1.106 CC(C)(N)CC1=CC=C(O)C=C1 SBB072113 [0,1,0,0,0,1|2,0,0]=4 911 B12R1.106 CC1=CC=C(OC(F)(F)F)C=C1 SBB089124 [0,1,0,0,0,1|2,0,0]=4 912 B12R1.106 CC1=CC=C(SC(F)(F)F)C=C1 SBB091412 [0,1,0,0,0,1|2,0,0]=4 913 B12R1.106 CP(=O)(O)OC1=CC=C(Cl)C=C1 SBB103202 [0,1,0,0,0,1|2,0,0]=4 914 B12R1.106 CP(=O)(O)OC1=CC=C(F)C=C1 SBB103195 [0,1,0,0,0,1|2,0,0]=4 915 B12R1.233 CC(=O)NC1=C(N)C=C(C)C=C1 SBB050334 [0,1,0,0,0,1|0,0,2]=4 916 B12R1.233 CC(C)OC1=C(Cl)C=C(F)C=C1 SBB090862 [0,1,0,0,0,1|2,0,0]=4 917 B12R1.233 CC(C)OC1=C(Cl)C=C(N)C=C1 SBB085428 [0,1,0,0,0,1|2,0,0]=4 918 B12R1.233 CC(C)OC1=C(F)C=C(F)C=C1 SBB088618 [0,1,0,0,0,1|2,0,0]=4 919 B12R1.233 CC1=CC(F)=C(CC(=O)O)C=C1 SBB088156 [0,1,0,0,0,1|1,0,1]=4 920 B12R1.233 CC1=CC=C(OC(F)F)C(N)=C1 SBB020949 [0,1,0,0,0,1|2,0,0]=4 921 B12R1.5 CCC(=O)C1=CC=C(OC)C=C1 SBB087799 [0,2,0,0,0,0|0,0,2]=4 922 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 SBB009830 [0,2,0,0,0,0|1,0,0]=3 923 B12R1.5 CCC1=CC=C(C(=O)CCl)C=C1 SBB072734 [0,2,0,0,0,0|0,0,2]=4 924 B12R1.5 CNC(=O)C1=CC=C(OC)C=C1 SBB087913 [0,2,0,0,0,0|0,0,2]=4 925 B12R1.5 CNC(C)C1=CC=C(OC)C=C1 SBB085415 [0,2,0,0,0,0|1,0,0]=3 926 B12R1.5 CNC1=CC=C(C(=O)OC)C=C1 SBB048194 [0,2,0,0,0,0|0,0,2]=4 927 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 SBB054899 [0,2,0,0,0,0|0,0,2]=4 928 B12R1.5 COC(=O)C1=CC=C(CCl)C=C1 SBB059299 [0,2,0,0,0,0|0,0,2]=4 929 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 SBB026559 [0,2,0,0,0,0|0,0,2]=4 930 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 SBB052372 [0,2,0,0,0,0|0,0,2]=4 931 B12R1.5 COC(=O)C1=CC=C(CO)C=C1 SBB059298 [0,2,0,0,0,0|0,0,2]=4 932 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 SBB058204 [0,2,0,0,0,0|0,0,2]=4 933 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 SBB007777 [0,2,0,0,0,0|0,0,2]=4 934 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 SBB027247 [0,2,0,0,0,0|0,0,2]=4 935 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 SBB003530 [0,2,0,0,0,0|0,0,2]=4 936 B12R1.5 COC1=CC=C(\C(C)=N/O)C=C1 SBB087911 [0,2,0,0,0,0|0,0,1]=3 937 B12R1.5 COC1=CC=C(\C(Cl)=N\O)C=C1 SBB090329 [0,2,0,0,0,0|1,0,1]=4 938 B12R1.5 COC1=CC=C(\C(N)=N\O)C=C1 SBB087986 [0,2,0,0,0,0|1,0,1]=4 939 B12R1.6 C(=O)C1=CC=C(C(C)(C)C)C=C1 SBB008564 [0,2,0,0,0,0|1,0,1]=4 940 B12R1.6 CC(C)(C)C1=CC=C(CBr)C=C1 SBB061725 [0,2,0,0,0,0|1,0,0]=3 941 B12R1.6 CC(C)(C)C1=CC=C(CCl)C=C1 SBB040654 [0,2,0,0,0,0|1,0,0]=3 942 B12R1.6 CC(C)(C)C1=CC=C(CN)C=C1 SBB017954 [0,2,0,0,0,0|1,0,0]=3 943 B12R1.6 CC(C)(C)C1=CC=C(NN)C=C1 SBB064726 [0,2,0,0,0,0|2,0,0]=4 944 B12R1.6 CNC1=CC=C(C(F)(F)F)C=C1 SBB051756 [0,2,0,0,0,0|2,0,0]=4 945 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 SBB061019 [0,2,0,0,0,0|1,0,0]=3 946 B12R1.6 COC1=CC=C(C(C)(C)O)C=C1 SBB054762 [0,2,0,0,0,0|0,0,0]=2 947 B12R1.6 CS(=O)(=O)C1=CC=C(CN)C=C1 SBB096218 [0,2,0,0,0,0|1,0,1]=4 948 B12R1.6 FC(F)(F)C1=CC=C(CBr)C=C1 SBB006698 [0,2,0,0,0,0|2,0,0]=4 949 B12R1.6 FC(F)(F)C1=CC=C(CCl)C=C1 SBB006696 [0,2,0,0,0,0|2,0,0]=4 950 B12R1.6 NCC1=CC=C(C(F)(F)F)C=C1 SBB048023 [0,2,0,0,0,0|2,0,0]=4 951 B12R1.6 NCC1=CC=C(S(C)(=O)=O)C=C1 SBB005802 [0,2,0,0,0,0|1,0,1]=4 952 B12R1.6 OCC1=CC=C(C(F)(F)F)C=C1 SBB064209 [0,2,0,0,0,0|2,0,0]=4 953 B12R1.48 CCC1=CC=C(C(=O)O)C=C1Br SBB067754 [0,2,0,0,0,0|1,0,1]=4 954 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=C1 SBB009955 [0,2,0,0,0,0|1,0,1]=4 955 B12R1.48 COC1=C(C)C=C(B(O)O)C=C1 SBB005903 [0,2,0,0,0,0|2,0,0]=4 956 B12R1.48 COC1=C(Cl)C=C(C(=O)O)C=C1 SBB019257 [0,2,0,0,0,0|1,0,1]=4 957 B12R1.48 COC1=C(F)C=C(B(O)O)C=C1 SBB088352 [0,2,0,0,0,0|2,0,0]=4 958 B12R1.48 COC1=C(F)C=C(C(=O)O)C=C1 SBB006649 [0,2,0,0,0,0|1,0,1]=4 959 B12R1.48 COC1=C(F)C=C(C(C)=O)C=C1 SBB064189 [0,2,0,0,0,0|0,0,2]=4 960 B12R1.48 COC1=C(N)C=C(C(=O)O)C=C1 SBB058403 [0,2,0,0,0,0|1,0,1]=4 961 B12R1.48 COC1=C(N)C=C(C(C)=O)C=C1 SBB018620 [0,2,0,0,0,0|0,0,2]=4 962 B12R1.48 COC1=C(O)C=C(C(=O)O)C=C1 SBB058347 [0,2,0,0,0,0|1,0,1]=4 963 B12R1.48 COC1=CC=C(C(=O)O)C=C1C SBB017677 [0,2,0,0,0,0|1,0,1]=4 964 B12R1.48 COC1=CC=C(C(=O)O)C=C1I SBB064700 [0,2,0,0,0,0|1,0,1]=4 965 B12R1.113 CC(=O)C1=CC=C(CCCl)C=C1 SBB089965 [0,2,0,0,0,0|0,0,2]=4 966 B12R1.113 CC(C)C1=CC=C(N=C=O)C=C1 SBB035782 [0,2,0,0,0,0|1,0,1]=4 967 B12R1.113 CC(C)C1=CC=C(N=C=S)C=C1 SBB089315 [0,2,0,0,0,0|1,0,1]=4 968 B12R1.113 CCCC1=CC=C(C(C)=O)C=C1 SBB007807 [0,2,0,0,0,0|0,0,2]=4 969 B12R1.113 CCCC1=CC=C(C(C)N)C=C1 SBB020275 [0,2,0,0,0,0|1,0,0]=3 970 B12R1.113 CCOC1=CC=C(B(O)O)C=C1 SBB087954 [0,2,0,0,0,0|2,0,0]=4 971 B12R1.113 CCOC1=CC=C(C(=O)O)C=C1 SBB015394 [0,2,0,0,0,0|1,0,1]=4 972 B12R1.113 CCOC1=CC=C(C(C)=O)C=C1 SBB040279 [0,2,0,0,0,0|0,0,2]=4 973 B12R1.113 CCOC1=CC=C(C(C)N)C=C1 SBB007021 [0,2,0,0,0,0|1,0,0]=3 974 B12R1.113 CCSC1=CC=C(C(=O)O)C=C1 SBB000236 [0,2,0,0,0,0|1,0,1]=4 975 B12R1.113 CN(C)C1=CC=C(CCN)C=C1 SBB007529 [0,2,0,0,0,0|2,0,0]=4 976 B12R1.113 CN(C)C1=CC=C(CCN)C=C1 SBB080393 [0,2,0,0,0,0|2,0,0]=4 977 B12R1.113 CNCC1=CC=C(B(O)O)C=C1 SBB111310 [0,2,0,0,0,0|2,0,0]=4 978 B12R1.113 COCC1=CC=C(C(=O)O)C=C1 SBB010473 [0,2,0,0,0,0|1,0,1]=4 979 B12R1.113 N#CCC1=CC=C(B(O)O)C=C1 SBB065905 [0,2,0,0,0,0|2,0,0]=4 980 B12R1.113 N#CCC1=CC=C(C(=O)O)C=C1 SBB052656 [0,2,0,0,0,0|1,0,1]=4 981 B12R1.113 OC(=O)C1=CC=C(CCC)C=C1 SBB006558 [0,2,0,0,0,0|1,0,1]=4 982 B12R1.256 C=C(C)C1=CC=C(C(=C)C)C=C1 SBB061144 [0,2,0,0,0,0|1,0,1]=4 983 B12R1.256 CC(=O)C1=CC=C(B(O)O)C=C1 SBB000146 [0,2,0,0,0,0|2,0,0]=4 984 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 SBB051425 [0,2,0,0,0,0|1,0,1]=4 985 B12R1.256 CC(=O)C1=CC=C(C(C)=O)C=C1 SBB008588 [0,2,0,0,0,0|0,0,2]=4 986 B12R1.256 CC(=O)C1=CC=C(C(C)C)C=C1 SBB063211 [0,2,0,0,0,0|1,0,0]=3 987 B12R1.256 CC(=O)C1=CC=C(N(C)C)C=C1 SBB007875 [0,2,0,0,0,0|0,0,2]=4 988 B12R1.256 CC(C)C1=CC=C(B(O)O)C=C1 SBB047821 [0,2,0,0,0,0|2,0,0]=4 989 B12R1.256 CC(C)C1=CC=C(C(=O)O)C=C1 SBB063138 [0,2,0,0,0,0|1,0,1]=4 990 B12R1.256 CC(C)C1=CC=C(C(C)C)C=C1 SBB061170 [0,2,0,0,0,0|1,0,0]=3 991 B12R1.256 CC(C)C1=CC=C(C(C)N)C=C1 SBB017955 [0,2,0,0,0,0|1,0,0]=3 992 B12R1.256 CN(C)C1=CC=C(C(=O)O)C=C1 SBB040528 [0,2,0,0,0,0|1,0,1]=4 993 B12R1.256 C[C@H](N)C1=CC=C([N+](=O)[O-])C=C1 SBB063455 [0,2,0,0,0,0|2,0,0]=4 994 B12R1.256 FC(F)C1=CC=C(C(F)F)C=C1 SBB089374 [0,2,0,0,0,0|2,0,0]=4 995 B12R1.452 COC1=CC(F)=C(C(C)=O)C=C1 SBB064080 [0,2,0,0,0,0|0,0,2]=4 996 B12R1.452 COC1=CC=C(B(O)O)C(Cl)=C1 SBB071194 [0,2,0,0,0,0|2,0,0]=4 997 B12R1.452 COC1=CC=C(B(O)O)C(F)=C1 SBB052527 [0,2,0,0,0,0|2,0,0]=4 998 B12R1.452 COC1=CC=C(C(=O)O)C(C)=C1 SBB052683 [0,2,0,0,0,0|1,0,1]=4 999 B12R1.452 COC1=CC=C(C(=O)O)C(F)=C1 SBB052739 [0,2,0,0,0,0|1,0,1]=4 1000 B12R1.452 COC1=CC=C(C(=O)O)C(N)=C1 SBB016770 [0,2,0,0,0,0|1,0,1]=4 1001 B12R1.452 COC1=CC=C(C(=O)O)C(O)=C1 SBB063950 [0,2,0,0,0,0|1,0,1]=4 1002 B12R1.452 COC1=CC=C(C(C)=O)C(O)=C1 SBB066134 [0,2,0,0,0,0|0,0,2]=4 1003 B12R1.9 CC(C)(CN)C1=CC=C(F)C=C1 SBB302781 [0,2,0,0,0,0|2,0,0]=4 1004 B12R1.9 CC1=CC=C(C(C)(C)CN)C=C1 SBB302782 [0,2,0,0,0,0|1,0,0]=3 1005 B12R1.9 CC1=CC=C(S(=O)(=O)CCl)C=C1 SBB000439 [0,2,0,0,0,0|1,0,1]=4 1006 B12R1.9 CCC(C)(C)C1=CC=C(C)C=C1 SBB061242 [0,2,0,0,0,0|1,0,0]=3 1007 B12R1.9 CCC(C)(C)C1=CC=C(O)C=C1 SBB056682 [0,2,0,0,0,0|2,0,0]=4 1008 B12R1.9 CNS(=O)(=O)C1=CC=C(C)C=C1 SBB058120 [0,2,0,0,0,0|1,0,1]=4 1009 B12R1.9 COS(=O)(=O)C1=CC=C(C)C=C1 SBB058206 [0,2,0,0,0,0|1,0,1]=4 1010 B12R1.23 CC(C)(C)C1=CC(N)=C(O)C=C1 SBB028359 [0,2,0,0,0,0|2,0,0]=4 1011 B12R1.23 CC(C)(C)C1=CC(O)=C(O)C=C1 SBB061378 [0,2,0,0,0,0|2,0,0]=4 1012 B12R1.23 CC(C)(C)C1=CC=C(N)C(N)=C1 SBB070116 [0,2,0,0,0,0|2,0,0]=4 1013 B12R1.23 CC1=C(Br)C=C(C(F)(F)F)C=C1 SBB099022 [0,2,0,0,0,0|2,0,0]=4 1014 B12R1.23 CC1=C(C)C=C(C(C)(C)C)C=C1 SBB008088 [0,2,0,0,0,0|1,0,0]=3 1015 B12R1.23 CC1=C(N)C=C(C(F)(F)F)C=C1 SBB089009 [0,2,0,0,0,0|2,0,0]=4 1016 B12R1.23 CC1=C(S)C=CC(C(C)(C)C)=C1 SBB007577 [0,2,0,0,0,0|2,0,0]=4 1017 B12R1.23 CC1=CC=C(C(C)(C)C)C=C1Br SBB097099 [0,2,0,0,0,0|1,0,0]=3 1018 B12R1.23 CC1=CC=C(S(C)(=O)=O)C=C1N SBB072180 [0,2,0,0,0,0|1,0,1]=4 1019 B12R1.126 CC1=CC(Cl)=C(C(F)(F)F)C=C1 SBB091798 [0,2,0,0,0,0|2,0,0]=4 1020 B12R1.126 CC1=CC(O)=C(C(C)(C)C)C=C1 SBB007878 [0,2,0,0,0,0|1,0,0]=3 1021 B12R1.56 CC(C)C1=CC(C=O)=C(O)C=C1 SBB010447 [0,2,0,0,0,0|2,0,0]=4 1022 B12R1.56 COC1=CC(C(=O)O)=CC=C1C SBB048279 [0,2,0,0,0,0|1,0,1]=4 1023 B12R1.232 CC(=O)C1=C(C)C=C(C)C(C)=C1 SBB048014 [0,2,0,0,0,0|0,0,2]=4 1024 B12R1.232 CC(=O)C1=CC(C)=C(C)C=C1O SBB016321 [0,2,0,0,0,0|0,0,2]=4 1025 B12R1.232 CC1=C(Cl)C=C(C(C)C)C(O)=C1 SBB061280 [0,2,0,0,0,0|1,0,0]=3 1026 B12R1.232 CC1=C(F)C=C(C(=O)O)C(F)=C1 SBB064292 [0,2,0,0,0,0|1,0,1]=4 1027 B12R1.232 CC1=CC(=O)C(C(C)C)=CC1=O SBB008296 [0,2,0,0,0,0|1,0,0]=3 1028 B12R1.232 CC1=CC(C)=C(C)C=C1C(=O)O SBB064039 [0,2,0,0,0,0|1,0,1]=4 1029 B12R1.232 CC1=CC(F)=C(B(O)O)C=C1Cl SBB090838 [0,2,0,0,0,0|2,0,0]=4 1030 B12R1.232 CC1=CC(O)=C(C(C)C)C=C1N SBB001596 [0,2,0,0,0,0|1,0,0]=3 1031 B12R1.367 CC1=C(C)C=C(\C(C)=N\O)C=C1 SBB073408 [0,2,0,0,0,0|0,0,1]=3 1032 B12R1.367 CC1=C(F)C=C(\C(N)=N\O)C=C1 SBB088169 [0,2,0,0,0,0|1,0,1]=4 1033 B12R1.367 CCC(=O)C1=CC=C(C)C(C)=C1 SBB028618 [0,2,0,0,0,0|0,0,2]=4 1034 B12R1.367 CCC(C)C1=CC=C(O)C(N)=C1 SBB058494 [0,2,0,0,0,0|2,0,0]=4 1035 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 SBB023346 [0,2,0,0,0,0|1,0,0]=3 1036 B12R1.367 COC(=O)C1=CC(C)=C(C)C=C1 SBB053730 [0,2,0,0,0,0|0,0,2]=4 1037 B12R1.367 COC(=O)C1=CC(Cl)=C(C)C=C1 SBB053740 [0,2,0,0,0,0|0,0,2]=4 1038 B12R1.367 COC(=O)C1=CC(N)=C(C)C=C1 SBB053756 [0,2,0,0,0,0|0,0,2]=4 1039 B12R1.367 COC(=O)C1=CC(O)=C(C)C=C1 SBB053738 [0,2,0,0,0,0|0,0,2]=4 1040 B12R1.367 COC(=O)C1=CC=C(C)C(Br)=C1 SBB064768 [0,2,0,0,0,0|0,0,2]=4 1041 B12R1.367 COC(=O)C1=CC=C(C)C(I)=C1 SBB068078 [0,2,0,0,0,0|0,0,2]=4 1042 B12R1.367 C\C(=N/O)C1=CC(Cl)=C(Cl)C=C1 SBB093227 [0,2,0,0,0,0|1,0,1]=4 1043 B12R1.367 NCC(O)C1=CC=C(O)C(O)=C1 SBB066098 [0,2,0,0,0,0|1,0,0]=3 1044 B12R1.367 NC[C@@H](O)C1=CC(O)=C(O)C=C1 SBB064179 [0,2,0,0,0,0|1,0,0]=3 1045 B12R1.893 CC(=O)C1=CC=C(C)C(F)=C1F SBB088386 [0,2,0,0,0,0|0,0,2]=4 1046 B12R1.893 CC1=CC=C(C(=O)O)C(F)=C1F SBB088583 [0,2,0,0,0,0|1,0,1]=4 1047 B12R1.893 CC1=CC=C(C(=O)O)C(N)=C1C SBB063350 [0,2,0,0,0,0|1,0,1]=4 1048 B12R1.1005 CC(C)C1=CC(Br)=C(N)C(Br)=C1 SBB058339 [0,2,0,0,0,0|2,0,0]=4 1049 B12R1.1005 CC1=C(Br)C=C(C(=O)O)C=C1Br SBB001202 [0,2,0,0,0,0|1,0,1]=4 1050 B12R1.1005 CC1=C(O)C=C(C(=O)O)C=C1O SBB063984 [0,2,0,0,0,0|1,0,1]=4 1051 B12R1.12 CCC(NC)C1=CC=C(F)C=C1 SBB044867 [0,2,0,0,0,0|2,0,0]=4 1052 B12R1.12 CCN(CC)C1=CC=C(C)C=C1 SBB008236 [0,2,0,0,0,0|2,0,0]=4 1053 B12R1.12 CC\C(=N/O)C1=CC=C(C)C=C1 SBB020243 [0,2,0,0,0,0|0,0,1]=3 1054 B12R1.12 CC\C(=N\O)C1=CC=C(O)C=C1 SBB080217 [0,2,0,0,0,0|1,0,1]=4 1055 B12R1.16 CC(N=C=S)C1=CC=C(F)C=C1 SBB089816 [0,2,0,0,0,0|1,1,0]=4 1056 B12R1.16 CC1=CC=C(C(=O)CC#N)C=C1 SBB005351 [0,2,0,0,0,0|0,0,2]=4 1057 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 SBB063951 [0,2,0,0,0,0|0,0,2]=4 1058 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 SBB017369 [0,2,0,0,0,0|0,0,2]=4 1059 B12R1.16 CCOC(=O)C1=CC=C(C)C=C1 SBB064875 [0,2,0,0,0,0|0,0,2]=4 1060 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 SBB063601 [0,2,0,0,0,0|1,0,0]=3 1061 B12R1.1703 CCC(=O)C1=CC=C(C)C=C1C SBB028615 [0,2,0,0,0,0|0,0,2]=4 1062 B12R1.1703 CCC(N)C1=C(C)C=C(C)C=C1 SBB023347 [0,2,0,0,0,0|1,0,0]=3 1063 B12R1.1703 COC(=O)C1=C(O)C=C(C)C=C1 SBB008512 [0,2,0,0,0,0|0,0,2]=4 1064 B12R1.1703 C\C(=N/O)C1=CC=C(O)C=C1O SBB047741 [0,2,0,0,0,0|1,0,1]=4 1065 B12R1.57 CC1=CC=C(C(C)C)C(C=O)=C1 SBB060459 [0,2,0,0,0,0|1,0,0]=3 1066 B12R1.1000 CC(=O)C1=C(C)C=C(C)C=C1C SBB058303 [0,2,0,0,0,0|0,0,2]=4 1067 B12R1.1000 CC1=CC(C)=C(C(=O)O)C(C)=C1 SBB063104 [0,2,0,0,0,0|1,0,1]=4 1068 B12R1.1000 CC1=CC(O)=C(C(=O)O)C(O)=C1 SBB008572 [0,2,0,0,0,0|1,0,1]=4 1069 B12R2.606 CC1=CC2=C(C=C1)NC(C)=N2 SBB045895 [0,0,0,1,0,1|1,0,1]=4 1070 B12R2.606 CC1=CC2=C(C=C1)SC(C)=N2 SBB058748 [0,0,0,1,0,1|1,0,1]=4 1071 B12R2.606 CC1=NC2=C(C=C(N)C=C2)O1 SBB013056 [0,0,0,1,0,1|1,0,1]=4 1072 B12R2.606 CC1=NC2=CC=C(O)C=C2O1 SBB072525 [0,0,0,1,0,1|1,0,1]=4 1073 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 SBB052391 [0,1,0,1,0,0|2,0,0]=4 1074 B12R2.290 NC1(C2=CC=C(F)C=C2)CC1 SBB008649 [0,1,0,1,0,0|2,0,0]=4 1075 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 SBB056356 [0,1,0,1,0,0|0,0,2]=4 1076 B12R2.2302 FC1=CC=C(C2CCN2)C=C1 SBB027127 [0,1,0,1,0,0|2,0,0]=4 1077 B8R1.1 CC1=CC(CO)=CS1 SBB017457 [1,0,0,0,1,0|1,0,0]=3 1078 B8R1.1 CC1=CC(CO)=NO1 SBB025974 [1,0,0,0,1,0|2,0,0]=4 1079 B8R1.1 CC1=CC=C(CN)O1 SBB047770 [1,0,0,0,1,0|2,0,0]=4 1080 B8R1.1 CC1=CN(CO)N=C1 SBB023299 [1,0,0,0,1,0|2,0,0]=4 1081 B8R1.1 CC1=CN=C(CO)S1 SBB054807 [1,0,0,0,1,0|2,0,0]=4 1082 B8R1.1 CC1=CSC(CO)=N1 SBB054809 [1,0,0,0,1,0|2,0,0]=4 1083 B8R1.1 CC1=NNC(CO)=C1 SBB080476 [1,0,0,0,1,0|2,0,0]=4 1084 B8R1.1 CC1=NOC(CO)=C1 SBB025975 [1,0,0,0,1,0|2,0,0]=4 1085 B8R1.1 CCC1=CC(Br)=CS1 SBB073295 [1,0,0,0,1,0|2,0,0]=4 1086 B8R1.1 CCN1C=CC(C)=N1 SBB020339 [1,0,0,0,1,0|2,0,0]=4 1087 B8R1.1 CN1C=C(CO)C=N1 SBB022156 [1,0,0,0,1,0|2,0,0]=4 1088 B8R1.1 CN1C=CC(CO)=N1 SBB073640 [1,0,0,0,1,0|2,0,0]=4 1089 B8R1.1 N1C=C(C)N=C1CC SBB004334 [1,0,0,0,1,0|2,0,0]=4 1090 B8R1.1 OCC1=CC(Br)=CS1 SBB091532 [1,0,0,0,1,0|2,0,0]=4 1091 B8R1.1 OCC1=CC=C(Br)S1 SBB068487 [1,0,0,0,1,0|2,0,0]=4 1092 B8R1.1 OCC1=CC=C(F)S1 SBB073359 [1,0,0,0,1,0|2,0,0]=4 1093 B8R1.7 CC(N)C1=CC=CO1 SBB017903 [1,0,0,0,1,0|2,0,0]=4 1094 B8R1.7 CC(N)C1=CC=CS1 SBB028228 [1,0,0,0,1,0|2,0,0]=4 1095 B10R1.18 CC(=O)NC1=CC=CC=C1 SBB040833 [1,0,0,0,0,1|0,0,2]=4 1096 B10R1.18 CC(=O)OC1=CC=CC=C1 SBB058747 [1,0,0,0,0,1|0,0,2]=4 1097 B10R1.18 CC(=S)NC1=CC=CC=C1 SBB086797 [1,0,0,0,0,1|0,1,1]=4 1098 B10R1.18 CC(C)NC1=CC=CC=C1 SBB007921 [1,0,0,0,0,1|1,0,0]=3 1099 B10R1.18 CC(N)CC1=CC=CC=N1 SBB025629 [1,0,0,0,0,1|2,0,0]=4 1100 B10R1.18 CN(C)CC1=CC=CC=C1 SBB060233 [1,0,0,0,0,1|2,0,0]=4 1101 B10R1.18 C\[N+]([O-])=C/C1=CC=CC=C1 SBB085895 [1,0,0,0,0,1|1,0,1]=4 1102 B10R1.18 FC(F)OC1=CC=CC=C1 SBB070688 [1,0,0,0,0,1|2,0,0]=4 1103 B10R1.18 OB(O)CC1=CC=CC=C1 SBB052526 [1,0,0,0,0,1|2,0,0]=4 1104 B12R1.21 CC(=O)CSC1=CC=C(C)C=C1 SBB089710 [0,0,0,0,0,2|0,0,2]=4 1105 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 SBB116862 [0,0,0,0,0,2|0,0,2]=4 1106 B12R1.21 CC(C)COC1=CC=C(N)C=C1 SBB079898 [0,0,0,0,0,2|2,0,0]=4 1107 B12R1.21 CC(C)NCC1=CC=C(F)C=C1 SBB109028 [0,0,0,0,0,2|2,0,0]=4 1108 B12R1.21 CC(N)CCC1=CC=C(Cl)C=C1 SBB010707 [0,0,0,0,0,2|2,0,0]=4 1109 B12R1.21 CC(N)CCC1=CC=C(F)C=C1 SBB010486 [0,0,0,0,0,2|2,0,0]=4 1110 B12R1.21 CC(N)COC1=CC=C(Cl)C=C1 SBB010732 [0,0,0,0,0,2|2,0,0]=4 1111 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 SBB016295 [0,0,0,0,0,2|1,0,1]=4 1112 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 SBB046297 [0,0,0,0,0,2|1,0,1]=4 1113 B12R1.21 CC1=CC=C(NCC(F)F)C=C1 SBB046684 [0,0,0,0,0,2|2,0,0]=4 1114 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 SBB004531 [0,0,0,0,0,2|1,0,1]=4 1115 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 SBB038335 [0,0,0,0,0,2|1,0,1]=4 1116 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 SBB015822 [0,0,0,0,0,2|1,0,1]=4