0 B10R1.15 BrCC(Br)C1=CC=CC=C1 SBB058656 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.15 C#CC(=O)C1=CC=CC=C1 SBB012771 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.15 C#CC(O)C1=CC=CC=C1 SBB008986 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.15 C(=O)C(C)C1=CC=CC=C1 SBB007693 [0,0,0,0,0,0|0,0,0]=0 4 B10R1.15 CC(CN)C1=CC=CC=C1 SBB028247 [0,0,0,0,0,0|1,0,1]=2 5 B10R1.15 CC(CO)C1=CC=CC=C1 SBB007853 [0,0,0,0,0,0|0,0,2]=2 6 B10R1.15 CCC(=O)C1=CC=CC=C1 SBB058853 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.15 CCC(Br)C1=CC=CC=C1 SBB060201 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.15 CCC(C)C1=CC=CC=C1 SBB060615 [0,0,0,0,0,0|1,0,1]=2 9 B10R1.15 CCC(N)C1=CC=CC=C1 SBB029878 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.15 CCC(N)C1=CC=CC=C1 SBB080382 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.15 CCC(O)C1=CC=CC=C1 SBB058750 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.15 CN(C=O)C1=CC=CC=C1 SBB056830 [0,0,0,0,0,0|1,0,0]=1 13 B10R1.15 CNC(=O)C1=CC=CC=C1 SBB051421 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.15 COC(=N)C1=CC=CC=C1 SBB055305 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.15 COC(=O)C1=CC=CC=C1 SBB058212 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.15 C[C@H](CN)C1=CC=CC=C1 SBB052360 [0,0,0,0,0,0|1,0,1]=2 17 B10R1.15 C\C(=N/N)C1=CC=CC=C1 SBB069878 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.15 C\C(=N/O)C1=CC=NC=C1 SBB000069 [0,0,0,0,0,0|2,0,2]=4 19 B10R1.15 C\C(=N/O)C1=CN=CC=C1 SBB085929 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.15 C\C(=N\O)C1=CC=CC=C1 SBB085898 [0,0,0,0,0,0|1,0,2]=3 21 B10R1.15 C\C(=N\O)C1=CC=CC=N1 SBB085936 [0,0,0,0,0,0|2,0,2]=4 22 B10R1.15 ClCC(Cl)C1=CC=CC=C1 SBB007931 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.15 N#CC(=O)C1=CC=CC=C1 SBB058756 [0,0,0,0,0,0|2,0,2]=4 24 B10R1.15 N#CC(Br)C1=CC=CC=C1 SBB061313 [0,0,0,0,0,0|2,0,1]=3 25 B10R1.15 N#CC(N)C1=CC=CC=C1 SBB003872 [0,0,0,0,0,0|2,0,1]=3 26 B10R1.15 NCC(=O)C1=CC=CC=C1 SBB063139 [0,0,0,0,0,0|2,0,2]=4 27 B10R1.15 NCC(=O)C1=CC=CC=C1 SBB066026 [0,0,0,0,0,0|2,0,2]=4 28 B10R1.15 NCC(O)C1=CC=CC=C1 SBB063224 [0,0,0,0,0,0|2,0,1]=3 29 B10R1.15 NNC(=O)C1=CC=CC=C1 SBB040976 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.15 N[C@H](CO)C1=CC=CC=C1 SBB006667 [0,0,0,0,0,0|1,0,2]=3 31 B10R1.15 N\C(=N/O)C1=CC=CC=C1 SBB015043 [0,0,0,0,0,0|2,0,2]=4 32 B10R1.15 N\C(=N/O)C1=CC=CC=C1 SBB055109 [0,0,0,0,0,0|2,0,2]=4 33 B10R1.15 O=C(CO)C1=CC=CC=C1 SBB085926 [0,0,0,0,0,0|1,0,3]=4 34 B10R1.15 O=C(NO)C1=CC=CC=C1 SBB058405 [0,0,0,0,0,0|2,0,2]=4 35 B10R1.15 O=CC(=O)C1=CC=CC=C1 SBB068905 [0,0,0,0,0,0|1,0,1]=2 36 B10R1.15 OCC(O)C1=CC=CC=C1 SBB063119 [0,0,0,0,0,0|1,0,2]=3 37 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 SBB064282 [0,0,0,0,0,0|2,0,1]=3 38 B10R1.15 [NH3+]CC(=O)C1=CC=CC=C1 SBB061439 [0,0,0,0,0,0|2,0,2]=4 39 B9R1.6 C=C(C)C1=CC=CC=C1 SBB060154 [1,0,0,0,0,0|0,0,1]=2 40 B9R1.6 CC(=O)C1=CC=CC=C1 SBB040241 [1,0,0,0,0,0|0,0,1]=2 41 B9R1.6 CC(=O)C1=CC=NC=C1 SBB040256 [1,0,0,0,0,0|1,0,1]=3 42 B9R1.6 CC(=O)C1=CN=CC=C1 SBB040255 [1,0,0,0,0,0|1,0,1]=3 43 B9R1.6 CC(=O)C1=CN=CC=N1 SBB006738 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.6 CC(=O)C1=NC=CC=C1 SBB058824 [1,0,0,0,0,0|1,0,1]=3 45 B9R1.6 CC(=O)C1=NC=CC=N1 SBB055904 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.6 CC(Br)C1=CC=CC=C1 SBB040667 [1,0,0,0,0,0|1,0,0]=2 47 B9R1.6 CC(C)C1=CC=CC=C1 SBB040817 [1,0,0,0,0,0|0,0,1]=2 48 B9R1.6 CC(Cl)C1=CC=CC=C1 SBB007671 [1,0,0,0,0,0|1,0,0]=2 49 B9R1.6 CC(N)C1=CC=CC=C1 SBB040514 [1,0,0,0,0,0|1,0,0]=2 50 B9R1.6 CC(N)C1=CC=NC=C1 SBB007016 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.6 CC(N)C1=CN=CC=C1 SBB027288 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.6 CC(N)C1=NC=CC=C1 SBB018707 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.6 CC(O)C1=CC=CC=C1 SBB058702 [1,0,0,0,0,0|0,0,1]=2 54 B9R1.6 CN(C)C1=CC=CC=C1 SBB040814 [1,0,0,0,0,0|1,0,1]=3 55 B9R1.6 CN(C)C1=CC=NC=C1 SBB008765 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.6 CN(N)C1=CC=CC=C1 SBB060814 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.6 C[C@@H](O)C1=CC=NC=C1 SBB065458 [1,0,0,0,0,0|1,0,1]=3 58 B9R1.6 C[C@H](N)C1=CC=CC=C1 SBB051709 [1,0,0,0,0,0|1,0,0]=2 59 B9R1.6 N=C(N)C1=CC=CC=C1 SBB055093 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.6 NC(=O)C1=CC=CC=C1 SBB058198 [1,0,0,0,0,0|1,0,1]=3 61 B9R1.6 NC(=O)C1=CC=CC=N1 SBB008128 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.6 NC(=O)C1=CC=CN=C1 SBB004283 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.6 NC(=O)C1=CC=CN=C1 SBB055585 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.6 NC(=S)C1=CC=CC=C1 SBB041177 [1,0,0,0,0,0|1,1,1]=4 65 B9R1.6 O=C(Cl)C1=CC=CC=C1 SBB059783 [1,0,0,0,0,0|1,0,1]=3 66 B9R1.6 O=C(Cl)C1=CC=CN=C1 SBB005806 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.6 O=C(Cl)C1=CC=NC=C1 SBB000083 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.6 O=C(Cl)C1=NC=CC=C1 SBB053631 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.6 O=C(F)C1=CC=CC=C1 SBB085547 [1,0,0,0,0,0|1,0,1]=3 70 B9R1.6 O=C(O)C1=CC=CC=C1 SBB040515 [1,0,0,0,0,0|1,0,1]=3 71 B9R1.6 O=C(O)C1=CC=CN=C1 SBB004279 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.6 O=C(O)C1=CC=NC=C1 SBB004278 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.6 O=C(O)C1=NC=CC=C1 SBB004277 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 SBB040911 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 SBB065520 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.8 BrCCC1=CC=CC=C1 SBB059945 [1,0,0,0,0,0|1,0,1]=3 77 B9R1.8 BrCCC1=NC=CC=C1 SBB014931 [1,0,0,0,0,0|2,0,1]=4 78 B9R1.8 CCCC1=CC=CC=C1 SBB061210 [1,0,0,0,0,0|1,0,1]=3 79 B9R1.8 CCNC1=CC=CC=C1 SBB058818 [1,0,0,0,0,0|2,0,1]=4 80 B9R1.8 CNCC1=CC=CC=C1 SBB073015 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.8 CNCC1=CC=CN=C1 SBB052430 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.8 CNCC1=CC=NC=C1 SBB047816 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.8 CNCC1=NC=CC=C1 SBB052457 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.8 COCC1=CC=CC=C1 SBB063549 [1,0,0,0,0,0|2,0,0]=3 85 B9R1.8 ClCCC1=NC=CC=C1 SBB014886 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.8 N#CCC1=CC=CC=C1 SBB058386 [1,0,0,0,0,0|1,0,1]=3 87 B9R1.8 N#CCC1=CC=CN=C1 SBB027148 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.8 N#CCC1=CC=NC=C1 SBB066966 [1,0,0,0,0,0|2,0,1]=4 89 B9R1.8 N#CCC1=NC=CC=C1 SBB049639 [1,0,0,0,0,0|2,0,1]=4 90 B9R1.8 N#CSC1=CC=CC=C1 SBB060831 [1,0,0,0,0,0|2,0,1]=4 91 B9R1.8 NCCC1=CC=CC=C1 SBB058801 [1,0,0,0,0,0|1,0,1]=3 92 B9R1.8 NCCC1=CC=CN=C1 SBB028204 [1,0,0,0,0,0|2,0,1]=4 93 B9R1.8 NCCC1=CC=CN=C1 SBB052465 [1,0,0,0,0,0|2,0,1]=4 94 B9R1.8 NCCC1=CC=NC=C1 SBB014221 [1,0,0,0,0,0|2,0,1]=4 95 B9R1.8 NCCC1=NC=CC=C1 SBB028206 [1,0,0,0,0,0|2,0,1]=4 96 B9R1.8 NNCC1=CC=CC=C1 SBB063024 [1,0,0,0,0,0|2,0,0]=3 97 B9R1.8 NOCC1=CC=CC=C1 SBB003971 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.8 NOCC1=CC=CC=C1 SBB032957 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.8 O=CCC1=CC=CC=C1 SBB061710 [1,0,0,0,0,0|0,0,0]=1 100 B9R1.8 O=CNC1=CC=CC=C1 SBB058769 [1,0,0,0,0,0|1,0,0]=2 101 B9R1.8 O=S=NC1=CC=CC=C1 SBB007761 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.8 OCCC1=CC=CC=C1 SBB040879 [1,0,0,0,0,0|0,0,2]=3 103 B9R1.8 S=C=NC1=CC=CC=C1 SBB040940 [1,0,0,0,0,0|1,1,1]=4 104 B9R1.8 SCCC1=CC=NC=C1 SBB065275 [1,0,0,0,0,0|1,1,1]=4 105 B11R1.7 C#CC(C)(O)C1=CC=CC=C1 SBB008971 [0,1,0,0,0,0|1,0,1]=3 106 B11R1.7 C#CC(C)(O)C1=CC=CN=C1 SBB013344 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.7 C#CC(C)(O)C1=CC=NC=C1 SBB014399 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.7 C#CC(C)(O)C1=NC=CC=C1 SBB014396 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.7 CC(C)(CN)C1=CC=CC=C1 SBB052397 [0,1,0,0,0,0|1,0,1]=3 110 B11R1.7 CCC(C)(C)C1=CC=CC=C1 SBB060977 [0,1,0,0,0,0|1,0,1]=3 111 B11R1.12 CCC(C#N)C1=CC=CC=C1 SBB068828 [0,1,0,0,0,0|1,0,1]=3 112 B11R1.12 CCC(CC)C1=CC=CC=C1 SBB060456 [0,1,0,0,0,0|1,0,1]=3 113 B11R1.12 CCC(CN)C1=CC=CC=C1 SBB073168 [0,1,0,0,0,0|1,0,1]=3 114 B11R1.12 CCN(CC)C1=CC=CC=C1 SBB060520 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.12 CC\C(=N/O)C1=CC=CC=C1 SBB080355 [0,1,0,0,0,0|1,0,2]=4 116 B11R1.12 N#CC(CO)C1=CC=CC=C1 SBB059710 [0,1,0,0,0,0|1,0,1]=3 117 B11R1.12 O=CC(C=O)C1=CC=NC=C1 SBB038306 [0,1,0,0,0,0|1,0,1]=3 118 B11R1.12 O=C\C(=C/O)C1=CC=NC=C1 SBB013493 [0,1,0,0,0,0|1,0,2]=4 119 B11R1.12 O\N=C(/CBr)C1=CC=CC=C1 SBB085154 [0,1,0,0,0,0|1,0,2]=4 120 B11R1.16 CC(CCN)C1=CC=CC=C1 SBB085501 [0,1,0,0,0,0|1,0,1]=3 121 B11R1.16 CC(N=C=O)C1=CC=CC=C1 SBB023344 [0,1,0,0,0,0|0,0,1]=2 122 B11R1.16 CC(N=C=S)C1=CC=CC=C1 SBB029868 [0,1,0,0,0,0|0,1,1]=3 123 B11R1.16 CC(NC=O)C1=CC=CC=C1 SBB068791 [0,1,0,0,0,0|0,0,0]=1 124 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 SBB070021 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.16 CN(CCN)C1=CC=CC=C1 SBB085429 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.16 CN(CCO)C1=CC=CC=C1 SBB007818 [0,1,0,0,0,0|1,0,2]=4 127 B11R1.16 CNCC(C)C1=CC=CC=C1 SBB028094 [0,1,0,0,0,0|1,0,1]=3 128 B11R1.16 O=C(\C=N\O)C1=CC=CC=C1 SBB063283 [0,1,0,0,0,0|1,0,2]=4 129 B11R1.16 O=C=NC(=O)C1=CC=CC=C1 SBB067603 [0,1,0,0,0,0|1,0,2]=4 130 B11R1.16 OC(C#CBr)C1=CC=CC=C1 SBB013371 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.22 CC1=CC=C(C(O)C#N)C=C1 SBB086534 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.22 CCC(N)C1=CC=C(C)C=C1 SBB017924 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 SBB046785 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.22 CCC(N)C1=CC=C(F)C=C1 SBB010339 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.22 CCC(N)C1=CC=C(O)C=C1 SBB080407 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.22 CCC(O)C1=CC=C(F)C=C1 SBB087018 [0,1,0,0,0,0|2,0,1]=4 137 B11R1.22 C\C(=N/O)C1=CC=C(Cl)C=C1 SBB029872 [0,1,0,0,0,0|1,0,2]=4 138 B11R1.22 N#C[C@H](O)C1=CC=C(Cl)C=C1 SBB088117 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.22 O=CC(=O)C1=CC=C(F)C=C1 SBB088374 [0,1,0,0,0,0|1,0,1]=3 140 B11R1.23 CCC(N)C1=CC(Cl)=CC=C1 SBB046784 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.23 CCC(O)C1=CC(F)=CC=C1 SBB087015 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.23 NCC(O)C1=CC(O)=CC=C1 SBB000279 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.23 O=CC(=O)C1=CC(F)=CC=C1 SBB071511 [0,1,0,0,0,0|1,0,1]=3 144 B11R1.23 OC1=CC=CC(C(CN)O)=C1 SBB004042 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 SBB063201 [0,1,0,0,0,0|0,0,2]=3 146 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 SBB064017 [0,1,0,0,0,0|1,0,1]=3 147 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 SBB055478 [0,1,0,0,0,0|1,0,0]=2 148 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 SBB086654 [0,1,0,0,0,0|1,0,0]=2 149 B11R1.36 CC(=O)N(O)C1=CC=CC=C1 SBB058639 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 SBB007855 [0,1,0,0,0,0|0,0,0]=1 151 B11R1.36 CN(C(N)=S)C1=CC=CC=C1 SBB055419 [0,1,0,0,0,0|1,1,0]=3 152 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 SBB017231 [0,1,0,0,0,0|1,0,0]=2 153 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 SBB028298 [0,1,0,0,0,0|1,0,0]=2 154 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 SBB056598 [0,1,0,0,0,0|1,0,0]=2 155 B11R1.36 N[C@@H](C(=O)O)C1=CCC=CC1 SBB058321 [0,1,0,0,0,0|1,0,2]=4 156 B11R1.36 O=C(Cl)C(Cl)C1=CC=CC=C1 SBB007783 [0,1,0,0,0,0|1,0,0]=2 157 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 SBB057084 [0,1,0,0,0,0|1,0,1]=3 158 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 SBB007654 [0,1,0,0,0,0|1,0,0]=2 159 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 SBB086979 [0,1,0,0,0,0|1,0,0]=2 160 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 SBB007730 [0,1,0,0,0,0|1,0,0]=2 161 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 SBB017395 [0,1,0,0,0,0|1,0,0]=2 162 B11R1.222 CCC(C)C1=CC=CC=C1N SBB061726 [0,1,0,0,0,0|1,0,1]=3 163 B11R1.222 CCC(C)C1=CC=CC=C1O SBB061123 [0,1,0,0,0,0|1,0,1]=3 164 B11R1.222 C\C(=N\O)C1=C(O)C=CC=C1 SBB080216 [0,1,0,0,0,0|1,0,2]=4 165 B11R2.1 BrC1=COC2=CC=CC=C12 SBB054554 [0,0,0,1,0,0|1,0,2]=4 166 B11R2.1 BrC1=CSC2=C1C=CC=C2 SBB003415 [0,0,0,1,0,0|1,1,1]=4 167 B11R2.1 CC1=CNC2=CC=CC=C12 SBB055975 [0,0,0,1,0,0|1,0,1]=3 168 B11R2.1 CC1=CSC2=CC=CC=C12 SBB086600 [0,0,0,1,0,0|0,1,1]=3 169 B11R2.1 NC1=CNC2=C1C=CC=C2 SBB010263 [0,0,0,1,0,0|2,0,1]=4 170 B11R2.1 NC1CCC2=C1C=CC=C2 SBB004212 [0,0,0,1,0,0|2,0,1]=4 171 B11R2.40 NC1(C2=CC=CC=C2)CC1 SBB052390 [0,0,0,1,0,0|2,0,1]=4 172 B11R2.988 N#CC1CC2=CC=CC=C21 SBB056297 [0,0,0,1,0,0|1,0,1]=3 173 B9R1.11 CNC(C)C1=CC=CO1 SBB302114 [0,0,0,0,1,0|3,0,0]=4 174 B9R1.11 O=CC(=O)C1=CC=CS1 SBB076918 [0,0,0,0,1,0|2,0,1]=4 175 B11R1.40 CC(CN)OC1=CC=CC=C1 SBB028307 [0,0,0,0,0,1|1,0,1]=3 176 B11R1.40 CNC(C)CC1=CC=CC=N1 SBB025630 [0,0,0,0,0,1|3,0,0]=4 177 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 SBB040229 [0,0,0,0,0,1|0,0,1]=2 178 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 SBB040238 [0,0,0,0,0,1|1,0,1]=3 179 B8R1.2 BrCC1=CC=NC=C1 SBB054924 [2,0,0,0,0,0|2,0,0]=4 180 B8R1.2 BrCC1=NC=CC=C1 SBB054926 [2,0,0,0,0,0|2,0,0]=4 181 B8R1.2 C#CC1=CC=CC=C1 SBB040919 [2,0,0,0,0,0|0,0,2]=4 182 B8R1.2 CCC1=CC=CC=C1 SBB040891 [2,0,0,0,0,0|0,0,0]=2 183 B8R1.2 CCC1=CC=CC=N1 SBB060373 [2,0,0,0,0,0|1,0,0]=3 184 B8R1.2 CCC1=CC=NC=C1 SBB061128 [2,0,0,0,0,0|1,0,0]=3 185 B8R1.2 CCC1=CN=CC=C1 SBB060374 [2,0,0,0,0,0|1,0,0]=3 186 B8R1.2 CNC1=CC=CC=C1 SBB008162 [2,0,0,0,0,0|1,0,0]=3 187 B8R1.2 CNC1=CC=CC=C1 SBB059778 [2,0,0,0,0,0|1,0,0]=3 188 B8R1.2 ClCC1=CC=NC=C1 SBB003917 [2,0,0,0,0,0|2,0,0]=4 189 B8R1.2 ClCC1=NC=CC=C1 SBB054925 [2,0,0,0,0,0|2,0,0]=4 190 B8R1.2 N#CC1=CC=CC=C1 SBB028746 [2,0,0,0,0,0|1,0,1]=4 191 B8R1.2 NCC1=CC=CC=C1 SBB040473 [2,0,0,0,0,0|1,0,0]=3 192 B8R1.2 NCC1=CC=CN=C1 SBB004351 [2,0,0,0,0,0|2,0,0]=4 193 B8R1.2 NCC1=CC=NC=C1 SBB004350 [2,0,0,0,0,0|2,0,0]=4 194 B8R1.2 NCC1=NC=CC=C1 SBB004352 [2,0,0,0,0,0|2,0,0]=4 195 B8R1.2 NNC1=CC=CC=C1 SBB040886 [2,0,0,0,0,0|2,0,0]=4 196 B8R1.2 O=CC1=CC=CN=C1 SBB004359 [2,0,0,0,0,0|1,0,0]=3 197 B8R1.2 O=CC1=CC=NC=C1 SBB004357 [2,0,0,0,0,0|1,0,0]=3 198 B8R1.2 O=CC1=CN=CN=C1 SBB065690 [2,0,0,0,0,0|2,0,0]=4 199 B8R1.2 O=CC1=NC=CC=C1 SBB004358 [2,0,0,0,0,0|1,0,0]=3 200 B8R1.2 O=CC1=NC=CC=N1 SBB052320 [2,0,0,0,0,0|2,0,0]=4 201 B8R1.2 O=CC1=NC=CN=C1 SBB052318 [2,0,0,0,0,0|2,0,0]=4 202 B8R1.2 OCC1=CC=CC=C1 SBB058558 [2,0,0,0,0,0|0,0,1]=3 203 B8R1.2 OCC1=CC=CN=C1 SBB004344 [2,0,0,0,0,0|1,0,1]=4 204 B8R1.2 OCC1=CC=NC=C1 SBB004347 [2,0,0,0,0,0|1,0,1]=4 205 B8R1.2 OCC1=NC=CC=C1 SBB004348 [2,0,0,0,0,0|1,0,1]=4 206 B8R1.2 ONC1=CC=CC=C1 SBB008413 [2,0,0,0,0,0|1,0,1]=4 207 B8R1.2 [NH+]1=CC=CC(CCl)=C1 SBB061738 [2,0,0,0,0,0|2,0,0]=4 208 B8R1.2 [NH3+]NC1=CC=CC=C1 SBB060000 [2,0,0,0,0,0|2,0,0]=4 209 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 SBB040244 [1,1,0,0,0,0|0,0,1]=3 210 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 SBB055637 [1,1,0,0,0,0|1,0,1]=4 211 B10R1.13 CC(=O)C1=CC=C(C)C=C1 SBB058845 [1,1,0,0,0,0|0,0,1]=3 212 B10R1.13 CC(=O)C1=CC=C(C)N=C1 SBB055610 [1,1,0,0,0,0|1,0,1]=4 213 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 SBB040243 [1,1,0,0,0,0|0,0,1]=3 214 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 SBB055593 [1,1,0,0,0,0|1,0,1]=4 215 B10R1.13 CC(=O)C1=CC=C(F)C=C1 SBB040257 [1,1,0,0,0,0|0,0,1]=3 216 B10R1.13 CC(=O)C1=CC=C(I)C=C1 SBB058956 [1,1,0,0,0,0|0,0,1]=3 217 B10R1.13 CC(=O)C1=CC=C(N)C=C1 SBB040278 [1,1,0,0,0,0|0,0,1]=3 218 B10R1.13 CC(=O)C1=CC=C(O)C=C1 SBB040251 [1,1,0,0,0,0|0,0,1]=3 219 B10R1.13 CC(C)C1=CC=C(N)C=C1 SBB040447 [1,1,0,0,0,0|0,0,1]=3 220 B10R1.13 CC(N)C1=CC=C(F)C=C1 SBB046789 [1,1,0,0,0,0|1,0,0]=3 221 B10R1.13 CC(N)C1=CC=C(O)C=C1 SBB008453 [1,1,0,0,0,0|1,0,0]=3 222 B10R1.13 CC(N)C1=CC=C(O)C=C1 SBB080372 [1,1,0,0,0,0|1,0,0]=3 223 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 SBB063808 [1,1,0,0,0,0|0,0,1]=3 224 B10R1.13 CC(O)C1=CC=C(N)C=C1 SBB048111 [1,1,0,0,0,0|0,0,1]=3 225 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 SBB058746 [1,1,0,0,0,0|1,0,1]=4 226 B10R1.13 CC1=CC=C(C(=O)O)C=C1 SBB040516 [1,1,0,0,0,0|1,0,1]=4 227 B10R1.13 CC1=CC=C(C(C)C)C=C1 SBB060399 [1,1,0,0,0,0|0,0,1]=3 228 B10R1.13 CC1=CC=C(C(C)N)C=C1 SBB010017 [1,1,0,0,0,0|1,0,0]=3 229 B10R1.13 CC1=CC=C(C(C)O)C=C1 SBB061733 [1,1,0,0,0,0|0,0,1]=3 230 B10R1.13 CC1=CC=C(C(N)=O)C=C1 SBB007862 [1,1,0,0,0,0|1,0,1]=4 231 B10R1.13 CN(C)C1=CC=C(Br)C=C1 SBB058575 [1,1,0,0,0,0|1,0,1]=4 232 B10R1.13 CN(C)C1=CC=C(N)C=C1 SBB058715 [1,1,0,0,0,0|1,0,1]=4 233 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 SBB064275 [1,1,0,0,0,0|0,0,1]=3 234 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 SBB064274 [1,1,0,0,0,0|0,0,1]=3 235 B10R1.13 FC1=CC=C(C(Cl)Cl)C=C1 SBB089501 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.13 NC(=O)C1=CC=C(F)C=C1 SBB086057 [1,1,0,0,0,0|1,0,1]=4 237 B10R1.13 NC(=O)C1=CC=C(N)C=C1 SBB028159 [1,1,0,0,0,0|1,0,1]=4 238 B10R1.13 NC(=O)C1=CC=C(O)C=C1 SBB058350 [1,1,0,0,0,0|1,0,1]=4 239 B10R1.13 NC(C)C1=CC=C(Br)C=C1 SBB006746 [1,1,0,0,0,0|1,0,0]=3 240 B10R1.13 NC(C)C1=CC=C(Cl)C=C1 SBB004019 [1,1,0,0,0,0|1,0,0]=3 241 B10R1.13 NC1=CC=C(C(=O)O)C=C1 SBB058665 [1,1,0,0,0,0|1,0,1]=4 242 B10R1.13 NC1=CC=C(S(=O)O)C=C1 SBB072620 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 SBB059787 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 SBB058718 [1,1,0,0,0,0|1,0,1]=4 245 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 SBB058751 [1,1,0,0,0,0|1,0,1]=4 246 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 SBB040628 [1,1,0,0,0,0|1,0,1]=4 247 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 SBB040519 [1,1,0,0,0,0|1,0,1]=4 248 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 SBB040517 [1,1,0,0,0,0|1,0,1]=4 249 B10R1.13 O=C(O)C1=CC=C(F)C=C1 SBB008568 [1,1,0,0,0,0|1,0,1]=4 250 B10R1.13 O=C(O)C1=CC=C(I)C=C1 SBB063146 [1,1,0,0,0,0|1,0,1]=4 251 B10R1.13 O=[N+]([O-])C1=CC=C(Br)C=C1 SBB060983 [1,1,0,0,0,0|2,0,0]=4 252 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 SBB054149 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.13 O=[N+]([O-])C1=CC=C(I)C=C1 SBB064696 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 SBB040875 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.13 O=[N+]([O-])C1=CC=C(S)C=C1 SBB058973 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.13 [NH3+]C1=CC=C(N(C)C)C=C1 SBB059799 [1,1,0,0,0,0|1,0,1]=4 257 B10R1.28 CC(C)(C)C1=CC=CC=C1 SBB040882 [1,1,0,0,0,0|0,0,1]=3 258 B10R1.28 CC(C)(C)C1=CC=CC=N1 SBB085909 [1,1,0,0,0,0|1,0,1]=4 259 B10R1.28 CC(C)(N)C1=CC=CC=C1 SBB028249 [1,1,0,0,0,0|0,0,1]=3 260 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 SBB037857 [1,1,0,0,0,0|1,0,0]=3 261 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 SBB058202 [1,1,0,0,0,0|2,0,0]=4 262 B10R1.28 O=S(=O)(Cl)C1=CC=CC=C1 SBB040880 [1,1,0,0,0,0|2,0,0]=4 263 B10R1.28 O=S(=O)(F)C1=CC=CC=C1 SBB087419 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.28 [NH-]S(=O)(=O)C1=CC=CC=C1 SBB087157 [1,1,0,0,0,0|2,0,0]=4 265 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 SBB040857 [1,1,0,0,0,0|0,0,1]=3 266 B10R1.61 CC(=O)C1=C(N)C=CC=C1 SBB058825 [1,1,0,0,0,0|0,0,1]=3 267 B10R1.61 CC(=O)C1=CC=CC=C1C SBB063140 [1,1,0,0,0,0|0,0,1]=3 268 B10R1.61 CC(=O)C1=CC=CC=C1Cl SBB040259 [1,1,0,0,0,0|0,0,1]=3 269 B10R1.61 CC(=O)C1=CC=CC=C1F SBB058458 [1,1,0,0,0,0|0,0,1]=3 270 B10R1.61 CC(=O)C1=CC=CC=C1I SBB064803 [1,1,0,0,0,0|0,0,1]=3 271 B10R1.61 CC(=O)C1=CC=CC=C1O SBB040261 [1,1,0,0,0,0|0,0,1]=3 272 B10R1.61 CC(=O)C1=CC=CN=C1F SBB065563 [1,1,0,0,0,0|1,0,1]=4 273 B10R1.61 CC(=O)C1=CC=NC=C1N SBB051881 [1,1,0,0,0,0|1,0,1]=4 274 B10R1.61 CC(=O)C1=CN=CC=C1C SBB055670 [1,1,0,0,0,0|1,0,1]=4 275 B10R1.61 CC(C)C1=C(Br)C=CC=C1 SBB092412 [1,1,0,0,0,0|0,0,1]=3 276 B10R1.61 CC(C)C1=C(N)C=CC=C1 SBB040455 [1,1,0,0,0,0|0,0,1]=3 277 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 SBB046790 [1,1,0,0,0,0|1,0,0]=3 278 B10R1.61 CC(O)C1=CC=CC=C1N SBB072985 [1,1,0,0,0,0|0,0,1]=3 279 B10R1.61 CC1=C(C(=O)O)C=CC=C1 SBB040521 [1,1,0,0,0,0|1,0,1]=4 280 B10R1.61 CC1=C(C(N)=O)C=CC=C1 SBB007860 [1,1,0,0,0,0|1,0,1]=4 281 B10R1.61 CS(=O)C1=C(F)C=CC=C1 SBB087301 [1,1,0,0,0,0|1,0,0]=3 282 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 SBB086152 [1,1,0,0,0,0|0,0,1]=3 283 B10R1.61 C[C@H](O)C1=CC=CC=C1Br SBB064753 [1,1,0,0,0,0|0,0,1]=3 284 B10R1.61 C[C@H](O)C1=CC=CC=C1Cl SBB064728 [1,1,0,0,0,0|0,0,1]=3 285 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 SBB092542 [1,1,0,0,0,0|1,0,1]=4 286 B10R1.61 NC(=O)C1=C(F)C=CC=C1 SBB058361 [1,1,0,0,0,0|1,0,1]=4 287 B10R1.61 NC(=O)C1=C(N)C=CC=C1 SBB007561 [1,1,0,0,0,0|1,0,1]=4 288 B10R1.61 NC(=O)C1=C(O)C=CC=C1 SBB058584 [1,1,0,0,0,0|1,0,1]=4 289 B10R1.61 NC(=O)C1=CC=CC=C1Cl SBB004023 [1,1,0,0,0,0|1,0,1]=4 290 B10R1.61 NC1=C([N+](=O)[O-])C=CC=C1 SBB040877 [1,1,0,0,0,0|2,0,0]=4 291 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 SBB040697 [1,1,0,0,0,0|1,0,1]=4 292 B10R1.61 O=C(Cl)C1=C(Cl)C=CC=C1 SBB058743 [1,1,0,0,0,0|1,0,1]=4 293 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 SBB040627 [1,1,0,0,0,0|1,0,1]=4 294 B10R1.61 O=C(O)C1=CC=CC=C1Br SBB058412 [1,1,0,0,0,0|1,0,1]=4 295 B10R1.61 O=C(O)C1=CC=CC=C1Cl SBB040524 [1,1,0,0,0,0|1,0,1]=4 296 B10R1.61 O=C(O)C1=CC=CC=C1F SBB040569 [1,1,0,0,0,0|1,0,1]=4 297 B10R1.61 O=C(O)C1=CC=CC=C1I SBB063117 [1,1,0,0,0,0|1,0,1]=4 298 B10R1.61 O=C(O)C1=CC=CC=C1O SBB052826 [1,1,0,0,0,0|1,0,1]=4 299 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 SBB060648 [1,1,0,0,0,0|2,0,0]=4 300 B10R1.61 O=[N+]([O-])C1=CC=CC=C1Br SBB064688 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.61 O=[N+]([O-])C1=CC=CC=C1F SBB063156 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.61 O=[N+]([O-])C1=CC=CC=C1I SBB064692 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 SBB040258 [1,1,0,0,0,0|0,0,1]=3 304 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 SBB055121 [1,1,0,0,0,0|0,0,1]=3 305 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 SBB055594 [1,1,0,0,0,0|1,0,1]=4 306 B10R1.113 CC(=O)C1=CC=CC(C)=C1 SBB061772 [1,1,0,0,0,0|0,0,1]=3 307 B10R1.113 CC(=O)C1=CC=CC(C)=N1 SBB068974 [1,1,0,0,0,0|1,0,1]=4 308 B10R1.113 CC(=O)C1=CC=CC(F)=C1 SBB063564 [1,1,0,0,0,0|0,0,1]=3 309 B10R1.113 CC(=O)C1=CC=CC(N)=C1 SBB058713 [1,1,0,0,0,0|0,0,1]=3 310 B10R1.113 CC(=O)C1=CC=CC(O)=C1 SBB040280 [1,1,0,0,0,0|0,0,1]=3 311 B10R1.113 CC(=O)C1=CN=CC(Br)=C1 SBB054319 [1,1,0,0,0,0|1,0,1]=4 312 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 SBB065468 [1,1,0,0,0,0|1,0,1]=4 313 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 SBB055630 [1,1,0,0,0,0|1,0,1]=4 314 B10R1.113 CC(N)C1=CC(Br)=CC=C1 SBB047651 [1,1,0,0,0,0|1,0,0]=3 315 B10R1.113 CC(N)C1=CC(Cl)=CC=C1 SBB046822 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.113 CC(N)C1=CC=CC(O)=C1 SBB080427 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.113 CC(O)C1=CC(N)=CC=C1 SBB008559 [1,1,0,0,0,0|0,0,1]=3 318 B10R1.113 CC(O)C1=CC=CC(Cl)=C1 SBB068833 [1,1,0,0,0,0|0,0,1]=3 319 B10R1.113 CC(O)C1=CC=C[N+]([O-])=C1 SBB086069 [1,1,0,0,0,0|1,0,1]=4 320 B10R1.113 CC1=CC(C(Br)Br)=CC=C1 SBB061660 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.113 CC1=CC(C(N)=O)=CC=C1 SBB007861 [1,1,0,0,0,0|1,0,1]=4 322 B10R1.113 CC1=CC(N(C)C)=CC=C1 SBB008276 [1,1,0,0,0,0|1,0,1]=4 323 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 SBB058758 [1,1,0,0,0,0|1,0,1]=4 324 B10R1.113 CC1=CC=CC(C(=O)O)=C1 SBB040526 [1,1,0,0,0,0|1,0,1]=4 325 B10R1.113 CC1=CC=CC(C(C)C)=C1 SBB061535 [1,1,0,0,0,0|0,0,1]=3 326 B10R1.113 CC1=CC=CC(C(C)N)=C1 SBB046820 [1,1,0,0,0,0|1,0,0]=3 327 B10R1.113 CN(C)C1=CC=CC(Cl)=C1 SBB008273 [1,1,0,0,0,0|1,0,1]=4 328 B10R1.113 CN(C)C1=CC=CC(F)=C1 SBB086090 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.113 C[C@@H](O)C1=CC=CC(Br)=C1 SBB064272 [1,1,0,0,0,0|0,0,1]=3 330 B10R1.113 C[C@@H](O)C1=CC=CC(F)=C1 SBB086151 [1,1,0,0,0,0|0,0,1]=3 331 B10R1.113 NC(=O)C1=CC=CC(Br)=C1 SBB009893 [1,1,0,0,0,0|1,0,1]=4 332 B10R1.113 NC(=O)C1=CC=CC(F)=C1 SBB086055 [1,1,0,0,0,0|1,0,1]=4 333 B10R1.113 NC(=O)C1=CC=CC(N)=C1 SBB028153 [1,1,0,0,0,0|1,0,1]=4 334 B10R1.113 NC(=O)C1=CC=CC(O)=C1 SBB079277 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.113 NC1=CC(C(=O)O)=CC=C1 SBB028148 [1,1,0,0,0,0|1,0,1]=4 336 B10R1.113 NC1=CC([N+](=O)[O-])=CC=C1 SBB073008 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.113 NC1=CC=CC(C(=O)O)=C1 SBB017556 [1,1,0,0,0,0|1,0,1]=4 338 B10R1.113 NC1=CC=CC([N+](=O)[O-])=C1 SBB058851 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 SBB040625 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=C1 SBB058871 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 SBB040525 [1,1,0,0,0,0|1,0,1]=4 342 B10R1.113 O=C(O)C1=CC(F)=CC=C1 SBB052761 [1,1,0,0,0,0|1,0,1]=4 343 B10R1.113 O=C(O)C1=CC(I)=CC=C1 SBB052819 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.113 O=C(O)C1=CC(O)=CC=C1 SBB058844 [1,1,0,0,0,0|1,0,1]=4 345 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 SBB058408 [1,1,0,0,0,0|1,0,1]=4 346 B10R1.113 O=[N+]([O-])C1=CC(F)=CC=C1 SBB064196 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.113 O=[N+]([O-])C1=CC(I)=CC=C1 SBB064697 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.113 O=[N+]([O-])C1=CC(O)=CC=C1 SBB061211 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.113 O=[N+]([O-])C1=CC=CC(Br)=C1 SBB063141 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.1 C=COC1=CC=C(N)C=C1 SBB010266 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.1 CC1=CC=C(CC#N)C=C1 SBB063995 [1,1,0,0,0,0|1,0,1]=4 352 B10R1.1 CC1=CC=C(CC=O)C=C1 SBB052212 [1,1,0,0,0,0|0,0,0]=2 353 B10R1.1 CC1=CC=C(CON)C=C1 SBB021738 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.1 CC1=CC=C(N=C=O)C=C1 SBB061737 [1,1,0,0,0,0|1,0,1]=4 355 B10R1.1 CC1=CC=C(NC=O)C=C1 SBB085897 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.1 CCCC1=CC=C(N)C=C1 SBB008337 [1,1,0,0,0,0|1,0,1]=4 357 B10R1.1 CCCC1=CC=C(O)C=C1 SBB055506 [1,1,0,0,0,0|1,0,1]=4 358 B10R1.1 CNCC1=CC=C(C)C=C1 SBB079252 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.1 CNCC1=CC=C(Cl)C=C1 SBB010371 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.1 CNCC1=CC=C(F)C=C1 SBB005902 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.1 CNCC1=CC=C(O)C=C1 SBB046545 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.1 FC1=CC=C(CCCl)C=C1 SBB087329 [1,1,0,0,0,0|1,0,1]=4 363 B10R1.1 FC1=CC=C(C[Zn]Cl)C=C1 SBB094275 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.1 N#CCC1=CC=C(Br)C=C1 SBB055164 [1,1,0,0,0,0|1,0,1]=4 365 B10R1.1 N#CCC1=CC=C(Cl)C=C1 SBB004060 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.1 N#CCC1=CC=C(F)C=C1 SBB063691 [1,1,0,0,0,0|1,0,1]=4 367 B10R1.1 N#CCC1=CC=C(N)C=C1 SBB004218 [1,1,0,0,0,0|1,0,1]=4 368 B10R1.1 N#CCC1=CC=C(O)C=C1 SBB063205 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.1 NC1=CC=C(CCO)C=C1 SBB042772 [1,1,0,0,0,0|0,0,2]=4 370 B10R1.1 NCCC1=CC=C(F)C=C1 SBB003787 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.1 NCCC1=CC=C(F)C=C1 SBB058811 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.1 NCCC1=CC=C(O)C=C1 SBB003808 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.1 O=C=NC1=CC=C(Cl)C=C1 SBB058877 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.1 O=C=NC1=CC=C(F)C=C1 SBB032971 [1,1,0,0,0,0|1,0,1]=4 375 B10R1.1 O=CCC1=CC=C(Br)C=C1 SBB052205 [1,1,0,0,0,0|0,0,0]=2 376 B10R1.1 O=CCC1=CC=C(F)C=C1 SBB052206 [1,1,0,0,0,0|0,0,0]=2 377 B10R1.1 OCCC1=CC=C(Br)C=C1 SBB055082 [1,1,0,0,0,0|0,0,2]=4 378 B10R1.1 OCCC1=CC=C(F)C=C1 SBB086156 [1,1,0,0,0,0|0,0,2]=4 379 B10R1.1 OCCC1=CC=C(O)C=C1 SBB086008 [1,1,0,0,0,0|0,0,2]=4 380 B10R1.4 C(=O)NC1=CC=CC=C1Cl SBB004025 [1,1,0,0,0,0|1,0,0]=3 381 B10R1.4 C=CCC1=CC=CC=C1O SBB044905 [1,1,0,0,0,0|1,0,0]=3 382 B10R1.4 C=CCN1C=CC=CC1=O SBB007666 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.4 CC1=CC=CC=C1CC#N SBB058333 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.4 CCCC1=CC=CC=C1N SBB085906 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.4 CNCC1=C(Br)C=CC=C1 SBB092552 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.4 CNCC1=CC=CC=C1Cl SBB010370 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.4 CNCC1=CC=CC=C1F SBB086087 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.4 C\C=C\C1=C(O)C=CC=C1 SBB071429 [1,1,0,0,0,0|1,0,1]=4 389 B10R1.4 FC1=C(CCBr)C=CC=C1 SBB018050 [1,1,0,0,0,0|1,0,1]=4 390 B10R1.4 N#CCC1=CC=CC=C1Cl SBB063987 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.4 N#CCC1=CC=CC=C1F SBB063693 [1,1,0,0,0,0|1,0,1]=4 392 B10R1.4 N#CCC1=CC=CC=C1N SBB064661 [1,1,0,0,0,0|1,0,1]=4 393 B10R1.4 NNCC1=CC=CC=C1Cl SBB010382 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.4 O=C=NC1=CC=CC=C1Br SBB046942 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.4 O=C=NC1=CC=CC=C1Cl SBB061771 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.4 O=C=NC1=CC=CC=C1F SBB054883 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.4 OCCC1=C(F)C=CC=C1 SBB086155 [1,1,0,0,0,0|0,0,2]=4 398 B10R1.10 CC1=CC(N=C=O)=CC=C1 SBB064239 [1,1,0,0,0,0|1,0,1]=4 399 B10R1.10 CC1=CC=CC(CC#N)=C1 SBB068545 [1,1,0,0,0,0|1,0,1]=4 400 B10R1.10 CNCC1=CC(O)=CC=C1 SBB046532 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.10 FC1=CC=CC(C[Zn]Cl)=C1 SBB094274 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.10 N#CCC1=CC(Br)=CC=C1 SBB006625 [1,1,0,0,0,0|1,0,1]=4 403 B10R1.10 N#CCC1=CC(Cl)=CC=C1 SBB057203 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.10 N#CCC1=CC=CC(F)=C1 SBB063692 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.10 NNCC1=CC(O)=CC=C1 SBB003436 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.10 O=C=NC1=CC(Br)=CC=C1 SBB046967 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.10 O=C=NC1=CC(Cl)=CC=C1 SBB058900 [1,1,0,0,0,0|1,0,1]=4 408 B10R1.10 O=C=NC1=CC=CC(F)=C1 SBB048876 [1,1,0,0,0,0|1,0,1]=4 409 B10R1.10 OCCC1=CC(F)=CC=C1 SBB055447 [1,1,0,0,0,0|0,0,2]=4 410 B10R1.17 BrCCOC1=CC=CC=C1 SBB042586 [1,1,0,0,0,0|1,0,1]=4 411 B10R1.17 BrCCSC1=CC=CC=C1 SBB059699 [1,1,0,0,0,0|1,0,1]=4 412 B10R1.17 C#CCNC1=CC=CC=C1 SBB010262 [1,1,0,0,0,0|1,0,1]=4 413 B10R1.17 C#CCOC1=CC=CC=C1 SBB008983 [1,1,0,0,0,0|1,0,1]=4 414 B10R1.17 C(=O)CCC1=CC=CC=C1 SBB006730 [1,1,0,0,0,0|0,0,0]=2 415 B10R1.17 C(=O)NNC1=CC=CC=C1 SBB008261 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.17 C=CCCC1=CC=CC=C1 SBB008476 [1,1,0,0,0,0|1,0,0]=3 417 B10R1.17 CCCNC1=CC=CC=C1 SBB059800 [1,1,0,0,0,0|1,0,1]=4 418 B10R1.17 CCCOC1=CC=CC=C1 SBB061098 [1,1,0,0,0,0|1,0,1]=4 419 B10R1.17 CCNCC1=CC=CC=C1 SBB058765 [1,1,0,0,0,0|1,0,1]=4 420 B10R1.17 CCOCC1=CC=CC=C1 SBB061196 [1,1,0,0,0,0|1,0,1]=4 421 B10R1.17 CCSCC1=CC=CC=C1 SBB061362 [1,1,0,0,0,0|1,0,1]=4 422 B10R1.17 ClCCCC1=CC=CC=C1 SBB061361 [1,1,0,0,0,0|1,0,1]=4 423 B10R1.17 ClCOCC1=CC=CC=C1 SBB064207 [1,1,0,0,0,0|1,0,1]=4 424 B10R1.17 ClCSCC1=CC=CC=C1 SBB055458 [1,1,0,0,0,0|1,0,1]=4 425 B10R1.17 ClC\C=C\C1=CC=CC=C1 SBB040602 [1,1,0,0,0,0|1,0,1]=4 426 B10R1.17 N#CCOC1=CC=CC=C1 SBB016774 [1,1,0,0,0,0|1,0,1]=4 427 B10R1.17 N#CSCC1=CC=CC=C1 SBB056767 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.17 N#C\C=C\C1=CC=CC=C1 SBB060940 [1,1,0,0,0,0|1,0,1]=4 429 B10R1.17 N(CC=C)C1=CC=CC=C1 SBB004211 [1,1,0,0,0,0|1,0,0]=3 430 B10R1.17 NCCCC1=CC=CC=C1 SBB028248 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.17 NCCNC1=CC=CC=C1 SBB004200 [1,1,0,0,0,0|1,0,1]=4 432 B10R1.17 NCCOC1=CC=CC=C1 SBB085982 [1,1,0,0,0,0|1,0,1]=4 433 B10R1.17 NCCSC1=CC=CC=C1 SBB047720 [1,1,0,0,0,0|1,0,1]=4 434 B10R1.17 O=C=NCC1=CC=CC=C1 SBB048859 [1,1,0,0,0,0|0,0,1]=3 435 B10R1.17 O=COCC1=CC=CC=C1 SBB061238 [1,1,0,0,0,0|0,0,0]=2 436 B10R1.17 O=C\C=C\C1=CC=CC=C1 SBB028652 [1,1,0,0,0,0|0,0,1]=3 437 B10R1.17 OCCCC1=CC=CC=C1 SBB061127 [1,1,0,0,0,0|0,0,2]=4 438 B10R1.17 OCCOC1=CC=CC=C1 SBB060485 [1,1,0,0,0,0|0,0,2]=4 439 B10R1.17 OC\C=C\C1=CC=CC=C1 SBB058645 [1,1,0,0,0,0|0,0,2]=4 440 B10R1.17 S=C=NCC1=CC=CC=C1 SBB002731 [1,1,0,0,0,0|0,1,1]=4 441 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 SBB008183 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.18 CC(=O)CC1=CC=NC=C1 SBB055597 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.18 CC(=O)NC1=CC=CC=C1 SBB040833 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.18 CC(=O)NC1=CC=CC=N1 SBB085932 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.18 CC(=O)NC1=CC=NC=C1 SBB085931 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.18 CC(=O)OC1=CC=CC=C1 SBB058747 [1,1,0,0,0,0|1,0,0]=3 447 B10R1.18 CC(=S)NC1=CC=CC=C1 SBB086797 [1,1,0,0,0,0|1,1,0]=4 448 B10R1.18 CN(C)CC1=CC=CC=C1 SBB060233 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.18 N=C(N)CC1=CC=CC=N1 SBB019209 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.18 N=C(N)CC1=CC=CN=C1 SBB019447 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.18 NC(=O)CC1=CC=CC=C1 SBB017634 [1,1,0,0,0,0|0,0,0]=2 452 B10R1.18 NC(=O)NC1=CC=CC=C1 SBB058197 [1,1,0,0,0,0|1,0,0]=3 453 B10R1.18 NC(=S)CC1=CC=CC=C1 SBB016517 [1,1,0,0,0,0|0,1,0]=3 454 B10R1.18 NC(=S)NC1=CC=CC=C1 SBB036022 [1,1,0,0,0,0|1,1,0]=4 455 B10R1.18 NC(N)=NC1=CC=CC=C1 SBB055106 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.18 O=C(Cl)CC1=CC=CC=C1 SBB040622 [1,1,0,0,0,0|0,0,0]=2 457 B10R1.18 O=C(Cl)OC1=CC=CC=C1 SBB060851 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.18 O=C(O)CC1=CC=CN=C1 SBB003812 [1,1,0,0,0,0|1,0,0]=3 459 B10R1.18 O=C(O)CC1=NC=CC=C1 SBB003810 [1,1,0,0,0,0|1,0,0]=3 460 B10R1.18 OB(O)CC1=CC=CC=C1 SBB052526 [1,1,0,0,0,0|1,0,1]=4 461 B10R1.18 OC(=O)CC1=CC=NC=C1 SBB005759 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.18 [NH2+](C(=O)Cl)C1=CC=CC=C1 SBB060746 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.23 CC(C(=O)O)N1C=CC=C1 SBB002490 [0,1,0,0,1,0|1,0,0]=3 464 B10R1.23 CC(C(=O)O)N1C=CC=N1 SBB024832 [0,1,0,0,1,0|2,0,0]=4 465 B10R1.23 CC(C(=O)O)N1C=CN=C1 SBB065949 [0,1,0,0,1,0|2,0,0]=4 466 B10R1.23 CC(C(N)=O)N1C=CC=N1 SBB026041 [0,1,0,0,1,0|2,0,0]=4 467 B10R1.23 NC(C(=O)O)C1=CC=CS1 SBB028327 [0,1,0,0,1,0|2,0,0]=4 468 B12R1.43 C(C1=CC=CC=C1)=C(\C)[N+](=O)[O-] SBB003925 [0,1,0,0,0,1|1,0,1]=4 469 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 SBB014560 [0,1,0,0,0,1|1,0,0]=3 470 B12R1.43 CC(NC1=NC=CC=N1)C(=O)O SBB085505 [0,1,0,0,0,1|2,0,0]=4 471 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl SBB050579 [0,1,0,0,0,1|0,0,0]=2 472 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O SBB079963 [0,1,0,0,0,1|0,0,0]=2 473 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O SBB017509 [0,1,0,0,0,1|0,0,1]=3 474 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 SBB027287 [0,1,0,0,0,1|1,0,0]=3 475 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O SBB058700 [0,1,0,0,0,1|1,0,0]=3 476 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O SBB065646 [0,1,0,0,0,1|2,0,0]=4 477 B12R1.43 N[C@H](CC1=CC=CC=N1)C(=O)O SBB065302 [0,1,0,0,0,1|2,0,0]=4 478 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O SBB065223 [0,1,0,0,0,1|2,0,0]=4 479 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 SBB012361 [0,1,0,0,0,1|1,0,1]=4 480 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 SBB012365 [0,1,0,0,0,1|1,0,0]=3 481 B12R1.43 O=C(O)\C(F)=C\C1=CC=CC=C1 SBB087976 [0,1,0,0,0,1|1,0,1]=4 482 B12R1.43 O=C(O)\C(S)=C/C1=CC=CC=C1 SBB043389 [0,1,0,0,0,1|1,0,1]=4 483 B12R1.49 CC1=CC=C(OC(C)CN)C=C1 SBB027665 [0,1,0,0,0,1|1,0,1]=4 484 B12R1.194 C#CC(C)(O)CC1=CC=CC=C1 SBB002525 [0,1,0,0,0,1|1,0,1]=4 485 B12R1.194 CC(C)(C#N)NC1=CC=CC=C1 SBB017951 [0,1,0,0,0,1|1,0,1]=4 486 B12R1.194 CC(C)(C=O)SC1=CC=CC=C1 SBB052358 [0,1,0,0,0,1|0,0,0]=2 487 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 SBB015072 [0,1,0,0,0,1|2,0,0]=4 488 B12R1.371 CC(CN)OC1=CC=CC=C1Cl SBB027666 [0,1,0,0,0,1|1,0,1]=4 489 B12R1.9 CC(C)(CN)C1=CC=C(F)C=C1 SBB302781 [0,2,0,0,0,0|1,0,1]=4 490 B12R1.9 CC1=CC=C(C(C)(C)CN)C=C1 SBB302782 [0,2,0,0,0,0|1,0,1]=4 491 B12R1.9 CCC(C)(C)C1=CC=C(C)C=C1 SBB061242 [0,2,0,0,0,0|1,0,1]=4 492 B12R1.9 CCC(C)(C)C1=CC=C(O)C=C1 SBB056682 [0,2,0,0,0,0|1,0,1]=4 493 B12R1.10 CC(C)(CN)C1=CC=CC(F)=C1 SBB302780 [0,2,0,0,0,0|1,0,1]=4 494 B12R1.195 CC(C)(CN)C1=C(F)C=CC=C1 SBB085500 [0,2,0,0,0,0|1,0,1]=4 495 B12R1.253 CC(=O)C(C)(O)C1=CN=CC=C1 SBB013524 [0,2,0,0,0,0|1,0,0]=3 496 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 SBB063153 [0,2,0,0,0,0|0,0,0]=2 497 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 SBB068832 [0,2,0,0,0,0|0,0,0]=2 498 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 SBB063248 [0,2,0,0,0,0|0,0,0]=2 499 B12R1.253 NC(=O)C(F)(F)C1=CC=CC=C1 SBB088489 [0,2,0,0,0,0|1,0,0]=3 500 B12R1.253 O=C(O)C(F)(F)C1=CC=CC=C1 SBB088578 [0,2,0,0,0,0|1,0,0]=3 501 B12R1.3 CCCC(C#N)C1=CC=CC=C1 SBB007788 [0,2,0,0,0,0|1,0,1]=4 502 B12R1.3 CCCC(CC)C1=CC=CC=C1 SBB061240 [0,2,0,0,0,0|1,0,1]=4 503 B12R1.3 CCCC(CN)C1=CC=CC=C1 SBB073169 [0,2,0,0,0,0|1,0,1]=4 504 B12R1.3 N#CCC(C#N)C1=CC=CC=C1 SBB008064 [0,2,0,0,0,0|1,0,1]=4 505 B12R1.12 C(=O)C(C#N)C1=CC=C(Cl)C=C1 SBB017703 [0,2,0,0,0,0|0,0,1]=3 506 B12R1.12 CCC(NC)C1=CC=C(F)C=C1 SBB044867 [0,2,0,0,0,0|1,0,1]=4 507 B12R1.12 O\C=C(/C=O)C1=CC=C(Cl)C=C1 SBB003733 [0,2,0,0,0,0|0,0,2]=4 508 B12R1.478 CC(=O)C(C#N)C1=CC=CC=C1 SBB001837 [0,2,0,0,0,0|0,0,1]=3 509 B12R1.478 CC(C)C(C#N)C1=CC=CC=C1 SBB008509 [0,2,0,0,0,0|1,0,1]=4 510 B12R1.478 CCC(C(=O)Cl)C1=CC=CC=C1 SBB067924 [0,2,0,0,0,0|0,0,0]=2 511 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 SBB042503 [0,2,0,0,0,0|0,0,0]=2 512 B12R1.478 CN(C)C(C#N)C1=CC=CC=C1 SBB007705 [0,2,0,0,0,0|1,0,1]=4 513 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 SBB028352 [0,2,0,0,0,0|1,0,1]=4 514 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 SBB058045 [0,2,0,0,0,0|0,0,0]=2 515 B12R1.16 CC(N=C=S)C1=CC=C(F)C=C1 SBB089816 [0,2,0,0,0,0|0,1,1]=4 516 B12R1.30 C#CCNC(C)C1=CC=CC=C1 SBB010417 [0,2,0,0,0,0|1,0,1]=4 517 B12R1.30 CCCNC(C)C1=CC=CC=C1 SBB005747 [0,2,0,0,0,0|1,0,1]=4 518 B12R1.30 OCCN[C@H](C)C1=CC=CC=C1 SBB010055 [0,2,0,0,0,0|0,0,2]=4 519 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 SBB040798 [0,2,0,0,0,0|1,0,1]=4 520 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 SBB058063 [0,2,0,0,0,0|0,0,0]=2 521 B12R1.107 CC(=O)\C=C(/N)C1=CC=CC=C1 SBB035905 [0,2,0,0,0,0|1,0,1]=4 522 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 SBB051565 [0,2,0,0,0,0|1,0,0]=3 523 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 SBB052737 [0,2,0,0,0,0|0,0,1]=3 524 B12R1.107 N(C(C)C)[C@H](C)C1=CC=CC=C1 SBB059587 [0,2,0,0,0,0|1,0,1]=4 525 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 SBB035909 [0,2,0,0,0,0|1,0,1]=4 526 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 SBB057900 [0,2,0,0,0,0|1,0,1]=4 527 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 SBB001851 [0,2,0,0,0,0|1,0,0]=3 528 B12R1.107 O=C(O)CC(Br)C1=CC=CC=C1 SBB008428 [0,2,0,0,0,0|1,0,0]=3 529 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 SBB063579 [0,2,0,0,0,0|1,0,0]=3 530 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 SBB001885 [0,2,0,0,0,0|1,0,1]=4 531 B12R1.5 CNC(C)C1=CC=C(OC)C=C1 SBB085415 [0,2,0,0,0,0|2,0,0]=4 532 B12R1.20 CC(=O)N(C)C1=CC=C(N)C=C1 SBB080453 [0,2,0,0,0,0|1,0,0]=3 533 B12R1.20 CC(=O)N(C)C1=CC=C(O)C=C1 SBB072886 [0,2,0,0,0,0|1,0,0]=3 534 B12R1.20 CC(C(=O)O)C1=CC=C(Cl)C=C1 SBB064110 [0,2,0,0,0,0|0,0,0]=2 535 B12R1.20 CC1=CC=C(C(C)C(=O)O)C=C1 SBB037860 [0,2,0,0,0,0|0,0,0]=2 536 B12R1.20 CC1=CC=C(C(O)C(=O)O)C=C1 SBB065020 [0,2,0,0,0,0|1,0,0]=3 537 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 SBB097533 [0,2,0,0,0,0|1,0,0]=3 538 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 SBB028364 [0,2,0,0,0,0|1,0,0]=3 539 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 SBB062828 [0,2,0,0,0,0|1,0,0]=3 540 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 SBB058359 [0,2,0,0,0,0|1,0,0]=3 541 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 SBB057734 [0,2,0,0,0,0|1,0,0]=3 542 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 SBB008325 [0,2,0,0,0,0|1,0,0]=3 543 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 SBB063787 [0,2,0,0,0,0|1,0,0]=3 544 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 SBB065018 [0,2,0,0,0,0|1,0,0]=3 545 B12R1.20 OC(=O)C(C)C1=CC=C(O)C=C1 SBB003894 [0,2,0,0,0,0|0,0,0]=2 546 B12R1.367 CCC(C)C1=CC=C(O)C(N)=C1 SBB058494 [0,2,0,0,0,0|1,0,1]=4 547 B12R1.225 CC(=O)N(C)C1=CC=CC(N)=C1 SBB080441 [0,2,0,0,0,0|1,0,0]=3 548 B12R1.225 NC(C(=O)O)C1=CC=CC(F)=C1 SBB028363 [0,2,0,0,0,0|1,0,0]=3 549 B12R1.225 O=C(O)C(O)C1=CC=CC(Cl)=C1 SBB065014 [0,2,0,0,0,0|1,0,0]=3 550 B12R1.435 COC1=CC(C(=O)C=O)=CC=C1 SBB087783 [0,2,0,0,0,0|1,0,1]=4 551 B12R1.124 CC1=CC=CC=C1C(=O)C(=O)O SBB063460 [0,2,0,0,0,0|1,0,1]=4 552 B12R1.124 NC(C(=O)O)C1=CC=CC=C1Cl SBB052787 [0,2,0,0,0,0|1,0,0]=3 553 B12R1.124 O=C(O)C(Br)C1=CC=CC=C1Cl SBB063226 [0,2,0,0,0,0|1,0,0]=3 554 B12R1.124 O=C(O)C(O)C1=C(F)C=CC=C1 SBB088383 [0,2,0,0,0,0|1,0,0]=3 555 B12R1.124 O=C(O)C(O)C1=CC=CC=C1Cl SBB003705 [0,2,0,0,0,0|1,0,0]=3 556 B10R1.27 C\C(C=O)=C\C1=CC=CO1 SBB040268 [0,0,1,1,0,0|1,0,1]=4 557 B10R2.7 C1=CC2=C(C=C1)CCC2 SBB060083 [1,0,0,1,0,0|1,0,1]=4 558 B10R2.7 C1=CC2=C(C=C1)OC=C2 SBB060607 [1,0,0,1,0,0|0,0,2]=4 559 B10R2.7 C1=CC2=C(C=C1)SC=N2 SBB058513 [1,0,0,1,0,0|1,1,0]=4 560 B10R2.7 C1=CC=C2CC=CC2=C1 SBB040862 [1,0,0,1,0,0|1,0,0]=3 561 B10R2.7 C1=CC=C2COCC2=C1 SBB068697 [1,0,0,1,0,0|2,0,0]=4 562 B10R2.7 C1=CC=C2NC=CC2=C1 SBB055980 [1,0,0,1,0,0|1,0,1]=4 563 B10R2.7 C1=CC=C2OCCC2=C1 SBB056038 [1,0,0,1,0,0|0,0,2]=4 564 B10R2.7 C1=CC=C2SC=CC2=C1 SBB055961 [1,0,0,1,0,0|0,1,1]=4 565 B10R2.7 C1=CC=C2[S+]=CSC2=C1 SBB099195 [1,0,0,1,0,0|1,1,0]=4 566 B10R2.7 N1C=NC2=C1C=CC=C2 SBB004294 [1,0,0,1,0,0|2,0,0]=4 567 B10R2.7 N1CCC2=C1C=CC=C2 SBB004291 [1,0,0,1,0,0|1,0,1]=4 568 B12R2.18 CC1CC2=CC=CC=C2C1=O SBB067570 [0,0,0,1,0,1|0,0,0]=2 569 B12R2.18 O=C1C2=CC=CC=C2CC1Br SBB054709 [0,0,0,1,0,1|1,0,0]=3 570 B12R2.18 O=C1CC2=C(C=CC=C2)C1=O SBB068426 [0,0,0,1,0,1|1,0,1]=4 571 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O SBB009100 [0,0,0,1,0,1|1,0,1]=4 572 B12R2.18 O=C1SC2=C(C=CC=C2)C1=O SBB087795 [0,0,0,1,0,1|1,0,1]=4 573 B12R2.24 CC1=CC=C2C=CC=CC2=C1 SBB060085 [0,0,0,1,0,1|1,0,1]=4 574 B12R2.24 CC1=NC2=C(C=CC=C2)C=C1 SBB008939 [0,0,0,1,0,1|1,0,1]=4 575 B12R2.24 CC1CCC2=CC=CC=C2N1 SBB039108 [0,0,0,1,0,1|1,0,1]=4 576 B12R2.24 CC1CNC2=C(C=CC=C2)S1 SBB048277 [0,0,0,1,0,1|1,0,1]=4 577 B12R2.24 CC1CNC2=CC=CC=C2O1 SBB080829 [0,0,0,1,0,1|1,0,1]=4 578 B12R2.24 C[N+]1=CC=C2C=CC=CC2=C1 SBB086356 [0,0,0,1,0,1|2,0,0]=4 579 B12R2.27 OCC1CC1C2=CC=CC=C2 SBB084422 [0,0,0,1,0,1|0,0,2]=4 580 B12R2.32 NCC1CC2=CC=CC=C2O1 SBB013722 [0,0,0,1,0,1|1,0,1]=4 581 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 SBB010059 [0,0,0,1,0,1|0,0,2]=4 582 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 SBB068480 [0,0,0,1,0,1|0,0,2]=4 583 B12R2.32 O=CC1=CC2=CC=CC=C2N1 SBB027648 [0,0,0,1,0,1|0,0,2]=4 584 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 SBB000095 [0,0,0,1,0,1|1,0,1]=4 585 B12R2.32 O=CC1=NC2=CC=CC=C2S1 SBB052327 [0,0,0,1,0,1|1,0,1]=4 586 B12R2.32 OCC1CC2=C(C=CC=C2)N1 SBB086644 [0,0,0,1,0,1|0,0,2]=4 587 B12R2.32 OCC1CC2=CC=CC=C2O1 SBB017925 [0,0,0,1,0,1|0,0,2]=4 588 B12R2.48 N#CC1(C2=CC=CC=C2)CC1 SBB055156 [0,1,0,1,0,0|1,0,1]=4 589 B12R2.48 NCC1(C2=CC=CC=C2)CC1 SBB052398 [0,1,0,1,0,0|1,0,1]=4 590 B12R2.1 C(=O)C1=CNC2=C1C=CC=C2 SBB004120 [0,1,0,1,0,0|0,0,2]=4 591 B12R2.1 O=CC1=CSC2=CC=CC=C12 SBB052322 [0,1,0,1,0,0|0,0,2]=4 592 B12R2.1 O=CN1N=NC2=CC=CC=C21 SBB069477 [0,1,0,1,0,0|2,0,0]=4 593 B12R2.1 OCC1=CNC2=C1C=CC=C2 SBB004095 [0,1,0,1,0,0|1,0,1]=4 594 B12R2.2 C1=CC=C(C2CCCC2)C=C1 SBB060080 [0,1,0,1,0,0|1,0,1]=4 595 B12R2.2 C1=CC=C(C2CCCN2)C=C1 SBB056158 [0,1,0,1,0,0|1,0,1]=4 596 B12R2.2 C1=CC=C(C2CCNC2)C=C1 SBB010168 [0,1,0,1,0,0|1,0,1]=4 597 B12R2.2 C1=CC=C(C2NCCS2)C=C1 SBB087945 [0,1,0,1,0,0|2,0,0]=4 598 B12R2.2 C1=CC=C(C2OCCO2)C=C1 SBB058599 [0,1,0,1,0,0|2,0,0]=4 599 B12R2.2 C1=CC=C(C2OCCS2)C=C1 SBB056712 [0,1,0,1,0,0|2,0,0]=4 600 B12R2.1081 CC1=C2C=CC=CC2=CC=C1 SBB060401 [0,1,0,1,0,0|1,0,1]=4 601 B12R2.1081 CC1=CC=NC2=C1C=CC=C2 SBB058784 [0,1,0,1,0,0|1,0,1]=4 602 B12R2.1081 CC1=NC=CC2=CC=CC=C21 SBB056020 [0,1,0,1,0,0|1,0,1]=4 603 B12R2.1081 C[N+]1=C2C=CC=CC2=CC=C1 SBB061147 [0,1,0,1,0,0|2,0,0]=4 604 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 SBB067569 [0,1,0,1,0,0|0,0,0]=2 605 B12R2.2028 CN1N=C(N)C2=C1C=CC=C2 SBB052076 [0,1,0,1,0,0|2,0,0]=4 606 B12R2.2028 O=C1CC(=O)C2=CC=CC=C12 SBB058387 [0,1,0,1,0,0|1,0,1]=4 607 B12R2.2028 O=C1NC(=O)C2=C1C=CC=C2 SBB059859 [0,1,0,1,0,0|1,0,1]=4 608 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 SBB040869 [0,1,0,1,0,0|1,0,1]=4 609 B12R2.2028 O=C1OC(Br)C2=C1C=CC=C2 SBB063763 [0,1,0,1,0,0|1,0,0]=3 610 B12R2.612 CN1C=CC2=C1C=CC(N)=C2 SBB010309 [0,1,0,1,0,0|2,0,0]=4 611 B12R2.612 CN1C=NC2=CC(N)=CC=C21 SBB047718 [0,1,0,1,0,0|2,0,0]=4 612 B12R2.2302 FC1=CC=C(C2CCN2)C=C1 SBB027127 [0,1,0,1,0,0|2,0,0]=4 613 B12R2.132 CC1=CNC2=C1C=C(F)C=C2 SBB086634 [0,1,0,1,0,0|1,0,1]=4 614 B12R2.132 CC1=CSC2=C1C=C(Br)C=C2 SBB097094 [0,1,0,1,0,0|0,1,1]=4 615 B12R2.132 CC1=CSC2=C1C=C(Cl)C=C2 SBB089968 [0,1,0,1,0,0|0,1,1]=4 616 B12R2.132 CC1=CSC2=CC=C(F)C=C12 SBB088020 [0,1,0,1,0,0|0,1,1]=4 617 B12R2.132 CN1C=NC2=CC=C(N)C=C21 SBB071966 [0,1,0,1,0,0|2,0,0]=4 618 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 SBB053554 [0,1,0,1,0,0|0,0,0]=2 619 B8R1.7 CC(=O)C1=CC=CN1 SBB066752 [1,0,0,0,1,0|1,0,1]=4 620 B8R1.7 CC(=O)C1=CC=CO1 SBB040248 [1,0,0,0,1,0|1,0,1]=4 621 B8R1.7 CC(=O)C1=CC=CS1 SBB038710 [1,0,0,0,1,0|1,0,1]=4 622 B8R1.7 CC(=O)C1=CSC=C1 SBB048022 [1,0,0,0,1,0|1,0,1]=4 623 B8R1.7 CC(N)C1=CC=CO1 SBB017903 [1,0,0,0,1,0|2,0,0]=4 624 B8R1.7 CC(N)C1=CC=CS1 SBB028228 [1,0,0,0,1,0|2,0,0]=4 625 B12R1.27 CC(CO)NCC1=CC=CC=C1 SBB010465 [0,0,0,0,0,2|0,0,2]=4