0 B12R1.21 C=C(C)COC1=CC=C(N)C=C1 SBB080146 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 SBB056768 [0,0,0,0,0,0|0,0,0]=0 2 B12R1.21 CC(=O)COC1=CC=C(Cl)C=C1 SBB072870 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.21 CC(=O)CSC1=CC=C(C)C=C1 SBB089710 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 SBB057983 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 SBB090182 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 SBB055227 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 SBB116862 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 SBB017373 [0,0,0,0,0,0|1,0,2]=3 9 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 SBB089732 [0,0,0,0,0,0|1,0,2]=3 10 B12R1.21 CC(=O)\C=C\C1=CC=C(F)C=C1 SBB087791 [0,0,0,0,0,0|1,0,2]=3 11 B12R1.21 CC(C)COC1=CC=C(N)C=C1 SBB079898 [0,0,0,0,0,0|3,0,1]=4 12 B12R1.21 CC(C)NCC1=CC=C(F)C=C1 SBB109028 [0,0,0,0,0,0|3,0,1]=4 13 B12R1.21 CC(N)CCC1=CC=C(Cl)C=C1 SBB010707 [0,0,0,0,0,0|2,0,1]=3 14 B12R1.21 CC(N)CCC1=CC=C(F)C=C1 SBB010486 [0,0,0,0,0,0|2,0,1]=3 15 B12R1.21 CC(N)COC1=CC=C(Cl)C=C1 SBB010732 [0,0,0,0,0,0|3,0,1]=4 16 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 SBB016295 [0,0,0,0,0,0|2,0,0]=2 17 B12R1.21 CC1=CC=C(CNC(N)=S)C=C1 SBB017712 [0,0,0,0,0,0|3,1,0]=4 18 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 SBB046297 [0,0,0,0,0,0|3,0,0]=3 19 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 SBB004531 [0,0,0,0,0,0|3,0,0]=3 20 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 SBB038335 [0,0,0,0,0,0|3,0,0]=3 21 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 SBB015822 [0,0,0,0,0,0|2,0,2]=4 22 B12R1.21 CC1=CC=C(\C=C\C(N)=O)C=C1 SBB113392 [0,0,0,0,0,0|2,0,2]=4 23 B12R1.21 N=C(N)COC1=CC=C(Cl)C=C1 SBB055295 [0,0,0,0,0,0|4,0,0]=4 24 B12R1.21 NC(=O)COC1=CC=C(F)C=C1 SBB088264 [0,0,0,0,0,0|3,0,0]=3 25 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 SBB006760 [0,0,0,0,0,0|3,0,0]=3 26 B12R1.21 NC(=O)NCC1=CC=C(F)C=C1 SBB088171 [0,0,0,0,0,0|3,0,0]=3 27 B12R1.21 NC(=O)NNC1=CC=C(F)C=C1 SBB058365 [0,0,0,0,0,0|4,0,0]=4 28 B12R1.21 NC(=O)\C=C\C1=CC=C(Cl)C=C1 SBB008061 [0,0,0,0,0,0|2,0,2]=4 29 B12R1.21 NC(=S)COC1=CC=C(Cl)C=C1 SBB092833 [0,0,0,0,0,0|3,1,0]=4 30 B12R1.21 NC(=[S+]CC1=CC=C(Cl)C=C1)N SBB003234 [0,0,0,0,0,0|4,0,0]=4 31 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 SBB010089 [0,0,0,0,0,0|2,0,0]=2 32 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 SBB001635 [0,0,0,0,0,0|3,0,0]=3 33 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 SBB003553 [0,0,0,0,0,0|2,0,2]=4 34 B12R1.21 O=C(Cl)COC1=CC=C(Cl)C=C1 SBB009959 [0,0,0,0,0,0|3,0,0]=3 35 B12R1.21 O=C(Cl)COC1=CC=C(F)C=C1 SBB010782 [0,0,0,0,0,0|3,0,0]=3 36 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 SBB017617 [0,0,0,0,0,0|2,0,0]=2 37 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 SBB010179 [0,0,0,0,0,0|2,0,0]=2 38 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 SBB017621 [0,0,0,0,0,0|2,0,0]=2 39 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 SBB052832 [0,0,0,0,0,0|2,0,0]=2 40 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 SBB064098 [0,0,0,0,0,0|1,0,0]=1 41 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 SBB016740 [0,0,0,0,0,0|3,0,0]=3 42 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 SBB063172 [0,0,0,0,0,0|3,0,0]=3 43 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 SBB003884 [0,0,0,0,0,0|2,0,0]=2 44 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 SBB004535 [0,0,0,0,0,0|3,0,0]=3 45 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 SBB004537 [0,0,0,0,0,0|3,0,0]=3 46 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 SBB030014 [0,0,0,0,0,0|3,0,0]=3 47 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 SBB063740 [0,0,0,0,0,0|3,0,0]=3 48 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 SBB052749 [0,0,0,0,0,0|3,0,0]=3 49 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 SBB059537 [0,0,0,0,0,0|2,0,2]=4 50 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 SBB008203 [0,0,0,0,0,0|2,0,2]=4 51 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 SBB005718 [0,0,0,0,0,0|2,0,2]=4 52 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 SBB007613 [0,0,0,0,0,0|1,0,2]=3 53 B12R1.21 OC(=O)CSC1=CC=C(Cl)C=C1 SBB003520 [0,0,0,0,0,0|3,0,0]=3 54 B11R1.1 C(=O)NNC1=CC=C(C)C=C1 SBB008283 [1,0,0,0,0,0|3,0,0]=4 55 B11R1.1 C=CCCC1=CC=C(F)C=C1 SBB008824 [1,0,0,0,0,0|1,0,1]=3 56 B11R1.1 C=CCOC1=CC=C(N)C=C1 SBB079900 [1,0,0,0,0,0|2,0,1]=4 57 B11R1.1 CCCCC1=CC=C(Cl)C=C1 SBB116909 [1,0,0,0,0,0|1,0,1]=3 58 B11R1.1 CCCCC1=CC=C(N)C=C1 SBB008298 [1,0,0,0,0,0|1,0,1]=3 59 B11R1.1 CCCCC1=CC=C(O)C=C1 SBB059153 [1,0,0,0,0,0|0,0,1]=2 60 B11R1.1 CCCOC1=CC=C(Br)C=C1 SBB059354 [1,0,0,0,0,0|2,0,1]=4 61 B11R1.1 CCCOC1=CC=C(N)C=C1 SBB008316 [1,0,0,0,0,0|2,0,1]=4 62 B11R1.1 CCCOC1=CC=C(O)C=C1 SBB059151 [1,0,0,0,0,0|1,0,1]=3 63 B11R1.1 CCNCC1=CC=C(Cl)C=C1 SBB080066 [1,0,0,0,0,0|2,0,1]=4 64 B11R1.1 N#CCCC1=CC=C(O)C=C1 SBB055251 [1,0,0,0,0,0|1,0,1]=3 65 B11R1.1 NCCCC1=CC=C(Cl)C=C1 SBB010509 [1,0,0,0,0,0|2,0,1]=4 66 B11R1.1 OC1=CC=C(OCCBr)C=C1 SBB051429 [1,0,0,0,0,0|2,0,1]=4 67 B11R1.1 OCCCC1=CC=C(Cl)C=C1 SBB055172 [1,0,0,0,0,0|1,0,2]=4 68 B11R1.91 CC(=O)C#CC1=CC=CC=C1 SBB015101 [1,0,0,0,0,0|0,0,2]=3 69 B11R1.91 CC(=O)CCC1=CC=CC=C1 SBB058827 [1,0,0,0,0,0|0,0,0]=1 70 B11R1.91 CC(=O)NNC1=CC=CC=C1 SBB058004 [1,0,0,0,0,0|2,0,0]=3 71 B11R1.91 CC(=O)OCC1=CC=CC=C1 SBB058375 [1,0,0,0,0,0|1,0,0]=2 72 B11R1.91 CC(=O)O[I+]C1=CC=CC=C1 SBB057853 [1,0,0,0,0,0|2,0,0]=3 73 B11R1.91 CC(C)=CCC1=CC=CC=C1 SBB007979 [1,0,0,0,0,0|1,0,1]=3 74 B11R1.91 CC(C)NCC1=CC=CC=C1 SBB048017 [1,0,0,0,0,0|2,0,1]=4 75 B11R1.91 CC(N)CCC1=CC=CC=C1 SBB059846 [1,0,0,0,0,0|1,0,1]=3 76 B11R1.91 CC(N)COC1=CC=CC=C1 SBB084093 [1,0,0,0,0,0|2,0,1]=4 77 B11R1.91 CN(C)CCC1=NC=CC=C1 SBB086734 [1,0,0,0,0,0|3,0,0]=4 78 B11R1.91 N=C(N)CSC1=CC=CC=C1 SBB055427 [1,0,0,0,0,0|3,0,0]=4 79 B11R1.91 NC(=O)CCC1=CC=CC=C1 SBB058119 [1,0,0,0,0,0|1,0,0]=2 80 B11R1.91 NC(=O)COC1=CC=CC=C1 SBB028296 [1,0,0,0,0,0|2,0,0]=3 81 B11R1.91 NC(=O)CSC1=CC=CC=N1 SBB113001 [1,0,0,0,0,0|3,0,0]=4 82 B11R1.91 NC(=O)NCC1=CC=CC=C1 SBB058548 [1,0,0,0,0,0|2,0,0]=3 83 B11R1.91 NC(=O)OCC1=CC=CC=C1 SBB058407 [1,0,0,0,0,0|2,0,0]=3 84 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 SBB004096 [1,0,0,0,0,0|1,0,2]=4 85 B11R1.91 NC(=S)CCC1=NC=CC=C1 SBB019122 [1,0,0,0,0,0|2,1,0]=4 86 B11R1.91 NC(=S)COC1=CC=CC=C1 SBB016514 [1,0,0,0,0,0|2,1,0]=4 87 B11R1.91 NC(=S)NCC1=CC=CC=C1 SBB088032 [1,0,0,0,0,0|2,1,0]=4 88 B11R1.91 NC(N)=NCC1=CC=CC=C1 SBB055108 [1,0,0,0,0,0|3,0,0]=4 89 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 SBB058859 [1,0,0,0,0,0|1,0,0]=2 90 B11R1.91 O=C(Cl)COC1=CC=CC=C1 SBB040630 [1,0,0,0,0,0|2,0,0]=3 91 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 SBB063193 [1,0,0,0,0,0|2,0,0]=3 92 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 SBB040621 [1,0,0,0,0,0|1,0,2]=4 93 B11R1.91 O=C(O)C#CC1=CC=CC=C1 SBB044891 [1,0,0,0,0,0|1,0,2]=4 94 B11R1.91 O=C(O)CCC1=CC=CC=C1 SBB056662 [1,0,0,0,0,0|1,0,0]=2 95 B11R1.91 O=C(O)CCC1=CC=CC=N1 SBB018634 [1,0,0,0,0,0|2,0,0]=3 96 B11R1.91 O=C(O)CCC1=CC=NC=C1 SBB012865 [1,0,0,0,0,0|2,0,0]=3 97 B11R1.91 O=C(O)CCC1=CN=CC=C1 SBB028468 [1,0,0,0,0,0|2,0,0]=3 98 B11R1.91 O=C(O)CNC1=CC=CC=C1 SBB028637 [1,0,0,0,0,0|2,0,0]=3 99 B11R1.91 O=C(O)COC1=CC=CC=C1 SBB040522 [1,0,0,0,0,0|2,0,0]=3 100 B11R1.91 O=C(O)COC1=CC=CC=N1 SBB086897 [1,0,0,0,0,0|3,0,0]=4 101 B11R1.91 O=C(O)COC1=CN=CC=C1 SBB027277 [1,0,0,0,0,0|3,0,0]=4 102 B11R1.91 O=C(O)CSC1=CC=CC=C1 SBB001712 [1,0,0,0,0,0|2,0,0]=3 103 B11R1.91 O=C(O)CSC1=CC=NC=C1 SBB028482 [1,0,0,0,0,0|3,0,0]=4 104 B11R1.91 O=C(O)CSC1=NC=CC=C1 SBB010505 [1,0,0,0,0,0|3,0,0]=4 105 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 SBB028745 [1,0,0,0,0,0|1,0,2]=4 106 B11R1.91 OB(O)CCC1=CC=CC=C1 SBB071100 [1,0,0,0,0,0|2,0,1]=4 107 B13R1.3 CCC1=CC=C(CCC(=O)O)C=C1 SBB017700 [0,1,0,0,0,0|2,0,0]=3 108 B13R1.3 CCC1=CC=C(OCC(=O)O)C=C1 SBB004547 [0,1,0,0,0,0|3,0,0]=4 109 B13R1.3 COC1=CC=C(CCC(C)=O)C=C1 SBB002546 [0,1,0,0,0,0|0,0,0]=1 110 B13R1.3 COC1=CC=C(CCC(C)N)C=C1 SBB010641 [0,1,0,0,0,0|1,0,1]=3 111 B13R1.3 COC1=CC=C(CNC(N)=S)C=C1 SBB017748 [0,1,0,0,0,0|2,1,0]=4 112 B13R1.3 COC1=CC=C(OCC(=O)O)C=C1 SBB004543 [0,1,0,0,0,0|2,0,0]=3 113 B13R1.3 COC1=CC=C(OCC(C)N)C=C1 SBB010677 [0,1,0,0,0,0|2,0,1]=4 114 B13R1.3 COC1=CC=C(OCC(N)=S)C=C1 SBB055418 [0,1,0,0,0,0|2,1,0]=4 115 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 SBB005717 [0,1,0,0,0,0|1,0,2]=4 116 B13R1.3 COC1=CC=C(\C=C\C(C)=O)C=C1 SBB017375 [0,1,0,0,0,0|0,0,2]=3 117 B13R1.3 N#CC1=CC=C(OCC(=O)O)C=C1 SBB019894 [0,1,0,0,0,0|3,0,0]=4 118 B13R1.3 NC(=O)COC1=CC=C(C=O)C=C1 SBB019522 [0,1,0,0,0,0|2,0,1]=4 119 B13R1.3 O=C(O)COC1=CC=C(CO)C=C1 SBB059335 [0,1,0,0,0,0|2,0,0]=3 120 B13R1.3 O=CC1=CC=C(OCC(=O)O)C=C1 SBB019893 [0,1,0,0,0,0|2,0,1]=4 121 B13R1.3 OC(=O)CCC1=CC=C(OC)C=C1 SBB003748 [0,1,0,0,0,0|1,0,0]=2 122 B13R1.14 CC1=CC=C(CNC(=O)CCl)C=C1 SBB037890 [0,1,0,0,0,0|2,0,0]=3 123 B13R1.14 CC1=CC=C(OCC(=O)NN)C=C1 SBB005105 [0,1,0,0,0,0|3,0,0]=4 124 B13R1.14 CC1=CC=C(SCC(=O)NN)C=C1 SBB073636 [0,1,0,0,0,0|3,0,0]=4 125 B13R1.14 CNC(=O)CCC1=CC=C(N)C=C1 SBB080480 [0,1,0,0,0,0|1,0,0]=2 126 B13R1.14 CNC(=O)\C=C\C1=CC=C(N)C=C1 SBB080445 [0,1,0,0,0,0|1,0,2]=4 127 B13R1.14 COC(=O)CCC1=CC=C(Cl)C=C1 SBB014252 [0,1,0,0,0,0|1,0,0]=2 128 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 SBB071434 [0,1,0,0,0,0|0,0,0]=1 129 B13R1.14 COC(=O)COC1=CC=C(Br)C=C1 SBB072211 [0,1,0,0,0,0|2,0,0]=3 130 B13R1.14 COC(=O)COC1=CC=C(N)C=C1 SBB072596 [0,1,0,0,0,0|2,0,0]=3 131 B13R1.14 COC(=O)\C=C\C1=CC=C(Br)C=C1 SBB099373 [0,1,0,0,0,0|1,0,2]=4 132 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 SBB002393 [0,1,0,0,0,0|0,0,2]=3 133 B13R1.14 NNC(=O)CCC1=CC=C(O)C=C1 SBB050179 [0,1,0,0,0,0|1,0,0]=2 134 B13R1.14 NNC(=O)CNC1=CC=C(I)C=C1 SBB047122 [0,1,0,0,0,0|3,0,0]=4 135 B13R1.14 NNC(=O)COC1=CC=C(Br)C=C1 SBB005126 [0,1,0,0,0,0|3,0,0]=4 136 B13R1.14 NNC(=O)COC1=CC=C(Cl)C=C1 SBB005121 [0,1,0,0,0,0|3,0,0]=4 137 B13R1.14 NNC(=O)COC1=CC=C(F)C=C1 SBB005122 [0,1,0,0,0,0|3,0,0]=4 138 B13R1.14 NNC(=O)CSC1=CC=C(Cl)C=C1 SBB002377 [0,1,0,0,0,0|3,0,0]=4 139 B13R1.14 O=C(CCl)NCC1=CC=C(Cl)C=C1 SBB037902 [0,1,0,0,0,0|2,0,0]=3 140 B13R1.14 O=C(CCl)NCC1=CC=C(F)C=C1 SBB027668 [0,1,0,0,0,0|2,0,0]=3 141 B13R1.132 CC(=O)CC(=O)C1=CC=C(Cl)C=C1 SBB055091 [0,1,0,0,0,0|1,0,1]=3 142 B13R1.132 NC(=O)CC(N)C1=CC=C(F)C=C1 SBB303223 [0,1,0,0,0,0|2,0,0]=3 143 B13R1.132 NC(CC(=O)O)C1=CC=C(Br)C=C1 SBB000836 [0,1,0,0,0,0|2,0,0]=3 144 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 SBB001785 [0,1,0,0,0,0|2,0,0]=3 145 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 SBB003727 [0,1,0,0,0,0|2,0,0]=3 146 B13R1.132 NC(CC(=O)O)C1=CC=C(O)C=C1 SBB017166 [0,1,0,0,0,0|1,0,0]=2 147 B13R1.133 CC(OC1=CC=C(Br)C=C1)C(=O)O SBB004553 [0,1,0,0,0,0|3,0,0]=4 148 B13R1.133 CC(OC1=CC=C(Cl)C=C1)C(=O)O SBB004555 [0,1,0,0,0,0|3,0,0]=4 149 B13R1.133 CC(OC1=CC=C(F)C=C1)C(=O)O SBB009317 [0,1,0,0,0,0|3,0,0]=4 150 B13R1.133 CC(OC1=CC=C(I)C=C1)C(=O)O SBB073608 [0,1,0,0,0,0|3,0,0]=4 151 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 SBB064583 [0,1,0,0,0,0|2,0,0]=3 152 B13R1.133 CC1=CC=C(OC(C)C(=O)O)C=C1 SBB004550 [0,1,0,0,0,0|3,0,0]=4 153 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O SBB003551 [0,1,0,0,0,0|2,0,0]=3 154 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O SBB063701 [0,1,0,0,0,0|2,0,0]=3 155 B13R1.133 NC1=CC=C(C[C@@H](N)C(=O)O)C=C1 SBB064108 [0,1,0,0,0,0|2,0,0]=3 156 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O SBB063696 [0,1,0,0,0,0|2,0,0]=3 157 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O SBB063698 [0,1,0,0,0,0|2,0,0]=3 158 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O SBB012381 [0,1,0,0,0,0|1,0,0]=2 159 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 SBB068897 [0,1,0,0,0,0|1,0,1]=3 160 B13R1.133 OC(=O)C(C)OC1=CC=C(O)C=C1 SBB006616 [0,1,0,0,0,0|2,0,0]=3 161 B13R1.133 [C@@H](N)(CC1=CC=C(F)C=C1)C(=O)O SBB003361 [0,1,0,0,0,0|2,0,0]=3 162 B13R1.164 CC(=O)\C=C\C1=CC=C(Cl)C=C1Cl SBB095060 [0,1,0,0,0,0|1,0,2]=4 163 B13R1.164 CC1=C(CCC(=O)O)C=CC(F)=C1 SBB089895 [0,1,0,0,0,0|2,0,0]=3 164 B13R1.164 CC1=CC(Br)=CC=C1OCC(=O)O SBB005729 [0,1,0,0,0,0|3,0,0]=4 165 B13R1.164 CC1=CC(Cl)=CC=C1OCC(=O)[O-] SBB060925 [0,1,0,0,0,0|3,0,0]=4 166 B13R1.164 CC1=CC(F)=C(CCC(=O)O)C=C1 SBB089903 [0,1,0,0,0,0|2,0,0]=3 167 B13R1.164 CC1=CC=C(OCC(=O)O)C(Br)=C1 SBB000844 [0,1,0,0,0,0|3,0,0]=4 168 B13R1.164 CC1=CC=C(OCC(=O)O)C(C)=C1 SBB052779 [0,1,0,0,0,0|3,0,0]=4 169 B13R1.164 O=C(Cl)COC1=CC=C(Cl)C=C1Cl SBB017185 [0,1,0,0,0,0|3,0,0]=4 170 B13R1.164 O=C(O)CCC1=CC=C(Cl)C=C1Cl SBB052720 [0,1,0,0,0,0|2,0,0]=3 171 B13R1.164 O=C(O)COC1=C(Br)C=C(Cl)C=C1 SBB079956 [0,1,0,0,0,0|3,0,0]=4 172 B13R1.164 O=C(O)COC1=C(Cl)C=C(Br)C=C1 SBB001029 [0,1,0,0,0,0|3,0,0]=4 173 B13R1.164 O=C(O)COC1=CC=C(Br)C=C1Br SBB001274 [0,1,0,0,0,0|3,0,0]=4 174 B13R1.164 O=C(O)COC1=CC=C(F)C=C1Cl SBB030015 [0,1,0,0,0,0|3,0,0]=4 175 B13R1.164 O=C(O)COC1=CC=C(F)C=C1F SBB009309 [0,1,0,0,0,0|3,0,0]=4 176 B13R1.164 O=C([O-])COC1=CC=C(Cl)C=C1Cl SBB061709 [0,1,0,0,0,0|3,0,0]=4 177 B13R1.511 CC1=CC(CCC(=O)O)=CC=C1F SBB089896 [0,1,0,0,0,0|2,0,0]=3 178 B13R1.511 CC1=CC(OCC(=O)O)=CC=C1Br SBB005728 [0,1,0,0,0,0|3,0,0]=4 179 B13R1.511 CC1=CC(OCC(=O)O)=CC=C1Cl SBB009311 [0,1,0,0,0,0|3,0,0]=4 180 B13R1.511 CC1=CC=C(CCC(=O)O)C=C1C SBB067745 [0,1,0,0,0,0|2,0,0]=3 181 B13R1.511 CC1=CC=C(CCC(=O)O)C=C1F SBB089902 [0,1,0,0,0,0|2,0,0]=3 182 B13R1.511 CC1=CC=C(CCC(=O)O)C=C1N SBB072079 [0,1,0,0,0,0|2,0,0]=3 183 B13R1.511 CC1=CC=C(OCC(=O)Cl)C=C1C SBB050609 [0,1,0,0,0,0|3,0,0]=4 184 B13R1.511 CC1=CC=C(OCC(=O)O)C=C1C SBB004540 [0,1,0,0,0,0|3,0,0]=4 185 B13R1.511 O=C(O)CCC1=CC(Cl)=C(F)C=C1 SBB084097 [0,1,0,0,0,0|2,0,0]=3 186 B13R1.511 O=C(O)CCC1=CC=C(Cl)C(F)=C1 SBB093011 [0,1,0,0,0,0|2,0,0]=3 187 B13R1.511 O=C(O)CCC1=CC=C(F)C(F)=C1 SBB068268 [0,1,0,0,0,0|2,0,0]=3 188 B13R1.511 O=C(O)CCC1=CC=C(O)C(O)=C1 SBB068270 [0,1,0,0,0,0|1,0,0]=2 189 B13R1.511 O=C(O)CNC1=CC=C(Cl)C(Cl)=C1 SBB019865 [0,1,0,0,0,0|3,0,0]=4 190 B13R1.511 O=C(O)COC1=CC=C(F)C(Cl)=C1 SBB009308 [0,1,0,0,0,0|3,0,0]=4 191 B13R1.511 O=C(O)\C=C\C1=CC(Br)=C(O)C=C1 SBB023895 [0,1,0,0,0,0|1,0,2]=4 192 B13R1.511 O=C(O)\C=C\C1=CC(O)=C(O)C=C1 SBB006475 [0,1,0,0,0,0|1,0,2]=4 193 B13R1.512 CC1=CC=C(SCS(C)(=O)=O)C=C1 SBB057679 [0,1,0,0,0,0|3,0,0]=4 194 B13R2.147 O=C1CC(C2=CC=C(F)C=C2)N1 SBB051559 [0,0,0,1,0,0|2,0,0]=3 195 B13R2.155 CC1=CC2=C(C=C1)OCC(=O)N2 SBB087684 [0,0,0,1,0,0|3,0,0]=4 196 B13R2.155 NC1=CC2=C(C=C1)CCC(=O)N2 SBB012767 [0,0,0,1,0,0|2,0,0]=3 197 B13R2.155 NC1=CC2=C(C=C1)SCC(=O)N2 SBB007506 [0,0,0,1,0,0|3,0,0]=4 198 B13R2.155 NC1=CC=C2OCC(=O)NC2=C1 SBB016739 [0,0,0,1,0,0|3,0,0]=4 199 B13R2.155 O=C1CNC2=CC=C(Cl)C=C2O1 SBB300269 [0,0,0,1,0,0|3,0,0]=4 200 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)N1 SBB003725 [0,0,0,1,0,0|3,0,0]=4 201 B13R2.155 O=C1COC2=CC=C(F)C=C2N1 SBB019002 [0,0,0,1,0,0|3,0,0]=4 202 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 SBB058424 [0,0,0,0,1,0|1,0,0]=2 203 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 SBB086853 [0,0,0,0,1,0|1,0,0]=2 204 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 SBB054161 [0,0,0,0,1,0|2,0,0]=3 205 B11R1.20 CC(=O)NC1=CC=C(Br)C=N1 SBB095054 [0,0,0,0,1,0|3,0,0]=4 206 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 SBB059339 [0,0,0,0,1,0|2,0,0]=3 207 B11R1.20 CC(=O)NC1=CC=C(C)C=N1 SBB086721 [0,0,0,0,1,0|3,0,0]=4 208 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 SBB058218 [0,0,0,0,1,0|2,0,0]=3 209 B11R1.20 CC(=O)NC1=CC=C(Cl)C=N1 SBB113300 [0,0,0,0,1,0|3,0,0]=4 210 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 SBB086906 [0,0,0,0,1,0|2,0,0]=3 211 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 SBB028292 [0,0,0,0,1,0|2,0,0]=3 212 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 SBB090514 [0,0,0,0,1,0|2,0,0]=3 213 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 SBB043758 [0,0,0,0,1,0|1,0,0]=2 214 B11R1.20 CC(=O)NC1=NC=C(I)C=C1 SBB102484 [0,0,0,0,1,0|3,0,0]=4 215 B11R1.20 CC(=O)NC1=NC=C(N)C=C1 SBB028302 [0,0,0,0,1,0|3,0,0]=4 216 B11R1.20 CC(=O)OC1=CC=C(C)C=C1 SBB060032 [0,0,0,0,1,0|2,0,0]=3 217 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 SBB086983 [0,0,0,0,1,0|2,0,0]=3 218 B11R1.20 CC(N)CC1=CC=C(Cl)C=C1 SBB000454 [0,0,0,0,1,0|2,0,1]=4 219 B11R1.20 CC(N)CC1=CC=C(F)C=C1 SBB052387 [0,0,0,0,1,0|2,0,1]=4 220 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 SBB063734 [0,0,0,0,1,0|2,0,0]=3 221 B11R1.20 CC1=CC=C(CC(N)=S)C=C1 SBB087944 [0,0,0,0,1,0|2,1,0]=4 222 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 SBB028290 [0,0,0,0,1,0|3,0,0]=4 223 B11R1.20 CN(C)CC1=CC=C(Br)C=C1 SBB109890 [0,0,0,0,1,0|3,0,0]=4 224 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 SBB028300 [0,0,0,0,1,0|1,0,0]=2 225 B11R1.20 NC(=O)NC1=CC=C(F)C=C1 SBB062099 [0,0,0,0,1,0|3,0,0]=4 226 B11R1.20 NC(=S)CC1=CC=C(Br)C=C1 SBB055187 [0,0,0,0,1,0|2,1,0]=4 227 B11R1.20 NC(=S)CC1=CC=C(Cl)C=C1 SBB055366 [0,0,0,0,1,0|2,1,0]=4 228 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 SBB028301 [0,0,0,0,1,0|2,0,0]=3 229 B11R1.20 O=C(Cl)CC1=CC=C(Cl)C=C1 SBB005859 [0,0,0,0,1,0|2,0,0]=3 230 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 SBB067909 [0,0,0,0,1,0|2,0,0]=3 231 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 SBB042842 [0,0,0,0,1,0|2,0,0]=3 232 B11R1.20 O=C(O)CC1=CC=C(Br)C=N1 SBB062888 [0,0,0,0,1,0|3,0,0]=4 233 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 SBB008374 [0,0,0,0,1,0|2,0,0]=3 234 B11R1.20 O=C(O)CC1=CC=C(Cl)N=C1 SBB027117 [0,0,0,0,1,0|3,0,0]=4 235 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 SBB052671 [0,0,0,0,1,0|2,0,0]=3 236 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 SBB052672 [0,0,0,0,1,0|2,0,0]=3 237 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 SBB059600 [0,0,0,0,1,0|1,0,0]=2 238 B11R1.20 O=C1C=CN(CC(=O)O)C=C1 SBB017930 [0,0,0,0,1,0|2,0,1]=4 239 B11R1.20 SC1=CC=C(NC(C)=O)C=C1 SBB003881 [0,0,0,0,1,0|1,1,0]=3 240 B11R1.75 CC1=CC=C(CCC(=O)O)O1 SBB007451 [0,0,0,0,1,0|3,0,0]=4 241 B13R1.513 CC1=CC=C(SCCC(=O)O)C=C1 SBB103625 [0,0,0,0,0,1|2,0,0]=3 242 B13R1.513 CN(C)CCOC1=CC=C(N)C=C1 SBB010662 [0,0,0,0,0,1|3,0,0]=4 243 B13R1.513 NC(=O)N\N=C\C1=CC=C(O)C=C1 SBB028744 [0,0,0,0,0,1|2,0,1]=4 244 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 SBB069098 [0,0,0,0,0,1|2,0,0]=3 245 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 SBB099678 [0,0,0,0,0,1|2,0,0]=3 246 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 SBB010216 [0,0,0,0,0,1|2,0,0]=3 247 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 SBB010232 [0,0,0,0,0,1|2,0,0]=3 248 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 SBB052746 [0,0,0,0,0,1|1,0,0]=2 249 B13R1.513 O=C(O)CCNC1=CC=C(Cl)C=N1 SBB301439 [0,0,0,0,0,1|3,0,0]=4 250 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 SBB008249 [0,0,0,0,0,1|2,0,0]=3 251 B13R1.513 O=C(O)CSCC1=CC=C(Cl)C=C1 SBB049904 [0,0,0,0,0,1|2,0,0]=3 252 B13R1.513 O=C(O)CSCC1=CC=C(F)C=C1 SBB047481 [0,0,0,0,0,1|2,0,0]=3 253 B10R1.1 CC1=CC=C(CC=O)C=C1 SBB052212 [2,0,0,0,0,0|1,0,0]=3 254 B10R1.1 CC1=CC=C(NC=O)C=C1 SBB085897 [2,0,0,0,0,0|2,0,0]=4 255 B10R1.1 CCCC1=CC=C(N)C=C1 SBB008337 [2,0,0,0,0,0|1,0,0]=3 256 B10R1.1 CCCC1=CC=C(O)C=C1 SBB055506 [2,0,0,0,0,0|0,0,0]=2 257 B10R1.1 CCOC1=CC=C(Br)C=C1 SBB059353 [2,0,0,0,0,0|2,0,0]=4 258 B10R1.1 CCOC1=CC=C(C)C=C1 SBB060988 [2,0,0,0,0,0|2,0,0]=4 259 B10R1.1 CCOC1=CC=C(Cl)C=C1 SBB040853 [2,0,0,0,0,0|2,0,0]=4 260 B10R1.1 CCOC1=CC=C(F)C=C1 SBB086157 [2,0,0,0,0,0|2,0,0]=4 261 B10R1.1 CCOC1=CC=C(N)C=C1 SBB040442 [2,0,0,0,0,0|2,0,0]=4 262 B10R1.1 CCOC1=CC=C(N)C=C1 SBB073014 [2,0,0,0,0,0|2,0,0]=4 263 B10R1.1 CCOC1=CC=C(O)C=C1 SBB043810 [2,0,0,0,0,0|1,0,0]=3 264 B10R1.1 CCSC1=CC=C(N)C=C1 SBB071614 [2,0,0,0,0,0|2,0,0]=4 265 B10R1.1 CNCC1=CC=C(C)C=C1 SBB079252 [2,0,0,0,0,0|2,0,0]=4 266 B10R1.1 CNCC1=CC=C(Cl)C=C1 SBB010371 [2,0,0,0,0,0|2,0,0]=4 267 B10R1.1 CNCC1=CC=C(F)C=C1 SBB005902 [2,0,0,0,0,0|2,0,0]=4 268 B10R1.1 CNCC1=CC=C(O)C=C1 SBB046545 [2,0,0,0,0,0|1,0,0]=3 269 B10R1.1 FC1=CC=C(CCCl)C=C1 SBB087329 [2,0,0,0,0,0|2,0,0]=4 270 B10R1.1 N#CCC1=CC=C(O)C=C1 SBB063205 [2,0,0,0,0,0|1,0,1]=4 271 B10R1.1 NC1=CC=C(CCO)C=C1 SBB042772 [2,0,0,0,0,0|1,0,1]=4 272 B10R1.1 NCCC1=CC=C(F)C=C1 SBB003787 [2,0,0,0,0,0|2,0,0]=4 273 B10R1.1 NCCC1=CC=C(F)C=C1 SBB058811 [2,0,0,0,0,0|2,0,0]=4 274 B10R1.1 NCCC1=CC=C(O)C=C1 SBB003808 [2,0,0,0,0,0|1,0,0]=3 275 B10R1.1 O=CCC1=CC=C(Br)C=C1 SBB052205 [2,0,0,0,0,0|1,0,0]=3 276 B10R1.1 O=CCC1=CC=C(F)C=C1 SBB052206 [2,0,0,0,0,0|1,0,0]=3 277 B10R1.1 OCCC1=CC=C(Br)C=C1 SBB055082 [2,0,0,0,0,0|1,0,1]=4 278 B10R1.1 OCCC1=CC=C(F)C=C1 SBB086156 [2,0,0,0,0,0|1,0,1]=4 279 B10R1.1 OCCC1=CC=C(O)C=C1 SBB086008 [2,0,0,0,0,0|0,0,1]=3 280 B10R1.17 C(=O)CCC1=CC=CC=C1 SBB006730 [2,0,0,0,0,0|0,0,0]=2 281 B10R1.17 C(=O)NNC1=CC=CC=C1 SBB008261 [2,0,0,0,0,0|2,0,0]=4 282 B10R1.17 C=CCCC1=CC=CC=C1 SBB008476 [2,0,0,0,0,0|0,0,1]=3 283 B10R1.17 CCCNC1=CC=CC=C1 SBB059800 [2,0,0,0,0,0|1,0,1]=4 284 B10R1.17 CCCOC1=CC=CC=C1 SBB061098 [2,0,0,0,0,0|1,0,1]=4 285 B10R1.17 CCNCC1=CC=CC=C1 SBB058765 [2,0,0,0,0,0|1,0,1]=4 286 B10R1.17 CCOCC1=CC=CC=C1 SBB061196 [2,0,0,0,0,0|1,0,1]=4 287 B10R1.17 CCSCC1=CC=CC=C1 SBB061362 [2,0,0,0,0,0|1,0,1]=4 288 B10R1.17 CNCCC1=NC=CC=C1 SBB017551 [2,0,0,0,0,0|2,0,0]=4 289 B10R1.17 CNCCC1=NC=CC=C1 SBB040053 [2,0,0,0,0,0|2,0,0]=4 290 B10R1.17 ClCCCC1=CC=CC=C1 SBB061361 [2,0,0,0,0,0|1,0,1]=4 291 B10R1.17 N(CC=C)C1=CC=CC=C1 SBB004211 [2,0,0,0,0,0|1,0,1]=4 292 B10R1.17 NCCCC1=CC=CC=C1 SBB028248 [2,0,0,0,0,0|1,0,1]=4 293 B10R1.17 O=C=NCC1=CC=CC=C1 SBB048859 [2,0,0,0,0,0|1,0,1]=4 294 B10R1.17 O=COCC1=CC=CC=C1 SBB061238 [2,0,0,0,0,0|1,0,0]=3 295 B10R1.17 O=C\C=C\C1=CC=CC=C1 SBB028652 [2,0,0,0,0,0|0,0,2]=4 296 B10R1.17 OCCCC1=CC=CC=C1 SBB061127 [2,0,0,0,0,0|0,0,2]=4 297 B12R1.1 CCCCCC1=CC=C(N)C=C1 SBB008338 [1,1,0,0,0,0|1,0,1]=4 298 B12R1.1 CCCCCC1=CC=C(O)C=C1 SBB059154 [1,1,0,0,0,0|0,0,1]=3 299 B12R1.1 CCCCOC1=CC=C(Br)C=C1 SBB008359 [1,1,0,0,0,0|1,0,1]=4 300 B12R1.1 CCCCOC1=CC=C(C)C=C1 SBB008351 [1,1,0,0,0,0|1,0,1]=4 301 B12R1.1 CCCCOC1=CC=C(Cl)C=C1 SBB061312 [1,1,0,0,0,0|1,0,1]=4 302 B12R1.1 CCCCOC1=CC=C(N)C=C1 SBB008295 [1,1,0,0,0,0|1,0,1]=4 303 B12R1.1 CCCCOC1=CC=C(O)C=C1 SBB058865 [1,1,0,0,0,0|0,0,1]=3 304 B12R1.1 CCCCSC1=CC=C(N)C=C1 SBB072787 [1,1,0,0,0,0|1,0,1]=4 305 B12R1.1 CCNCCC1=CC=C(C)C=C1 SBB052427 [1,1,0,0,0,0|1,0,1]=4 306 B12R1.1 CNCCOC1=CC=C(C)C=C1 SBB010460 [1,1,0,0,0,0|2,0,0]=4 307 B12R1.1 CNCCOC1=CC=C(F)C=C1 SBB085381 [1,1,0,0,0,0|2,0,0]=4 308 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 SBB001584 [1,1,0,0,0,0|0,0,2]=4 309 B12R1.16 CNCC(=O)C1=CC=C(O)C=C1 SBB013970 [1,1,0,0,0,0|1,0,1]=4 310 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 SBB063601 [1,1,0,0,0,0|1,0,0]=3 311 B12R1.71 CCCCC1=CC=C(C#N)C=C1 SBB059146 [1,1,0,0,0,0|1,0,1]=4 312 B12R1.71 CCCCC1=CC=C(C=O)C=C1 SBB059137 [1,1,0,0,0,0|0,0,2]=4 313 B12R1.71 CCCCC1=CC=C(CN)C=C1 SBB059362 [1,1,0,0,0,0|1,0,1]=4 314 B12R1.71 COC1=CC=C(CCC#N)C=C1 SBB017671 [1,1,0,0,0,0|1,0,1]=4 315 B12R1.71 COC1=CC=C(CCCN)C=C1 SBB010459 [1,1,0,0,0,0|1,0,1]=4 316 B12R1.385 CCCCC1=CC=C(N)C(C)=C1 SBB087730 [1,1,0,0,0,0|1,0,1]=4 317 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 SBB068279 [1,1,0,0,0,0|1,0,1]=4 318 B12R1.27 CCC(=O)NNC1=CC=CC=C1 SBB007827 [1,1,0,0,0,0|2,0,0]=4 319 B12R1.27 CCC(=O)OCC1=CC=CC=C1 SBB061239 [1,1,0,0,0,0|1,0,0]=3 320 B12R1.27 CNC(=S)NCC1=CC=CC=C1 SBB017711 [1,1,0,0,0,0|1,1,0]=4 321 B12R1.27 COC(=O)CCC1=CN=CC=C1 SBB071440 [1,1,0,0,0,0|1,0,0]=3 322 B12R1.27 COC(=O)CSC1=CC=CC=C1 SBB089934 [1,1,0,0,0,0|1,0,0]=3 323 B12R1.27 COC(=O)NCC1=CC=CC=C1 SBB080563 [1,1,0,0,0,0|1,0,0]=3 324 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 SBB058222 [1,1,0,0,0,0|0,0,2]=4 325 B12R1.27 N#CC(=O)OCC1=CC=CC=C1 SBB057332 [1,1,0,0,0,0|1,0,1]=4 326 B12R1.27 NCC(=O)OCC1=CC=CC=C1 SBB063677 [1,1,0,0,0,0|1,0,0]=3 327 B12R1.27 NNC(=O)CCC1=CC=CC=C1 SBB000151 [1,1,0,0,0,0|1,0,0]=3 328 B12R1.27 NNC(=O)CNC1=CC=CC=C1 SBB019864 [1,1,0,0,0,0|2,0,0]=4 329 B12R1.27 NNC(=O)COC1=CC=CC=C1 SBB017408 [1,1,0,0,0,0|2,0,0]=4 330 B12R1.27 NNC(=O)CSC1=CC=CC=C1 SBB072377 [1,1,0,0,0,0|2,0,0]=4 331 B12R1.27 NNC(=O)OCC1=CC=CC=C1 SBB063031 [1,1,0,0,0,0|2,0,0]=4 332 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 SBB080035 [1,1,0,0,0,0|1,0,0]=3 333 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 SBB006752 [1,1,0,0,0,0|1,0,0]=3 334 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 SBB038576 [1,1,0,0,0,0|1,0,0]=3 335 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 SBB064876 [1,1,0,0,0,0|1,0,0]=3 336 B12R1.27 O=C(CS)OCC1=CC=CC=C1 SBB057444 [1,1,0,0,0,0|1,0,0]=3 337 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 SBB014560 [1,1,0,0,0,0|0,0,0]=2 338 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl SBB050579 [1,1,0,0,0,0|2,0,0]=4 339 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O SBB079963 [1,1,0,0,0,0|2,0,0]=4 340 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 SBB027287 [1,1,0,0,0,0|1,0,0]=3 341 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O SBB058700 [1,1,0,0,0,0|1,0,0]=3 342 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O SBB065646 [1,1,0,0,0,0|2,0,0]=4 343 B12R1.43 N[C@H](CC1=CC=CC=N1)C(=O)O SBB065302 [1,1,0,0,0,0|2,0,0]=4 344 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O SBB065223 [1,1,0,0,0,0|2,0,0]=4 345 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 SBB012361 [1,1,0,0,0,0|1,0,1]=4 346 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 SBB012365 [1,1,0,0,0,0|1,0,0]=3 347 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 SBB040798 [1,1,0,0,0,0|0,0,1]=3 348 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 SBB058063 [1,1,0,0,0,0|1,0,0]=3 349 B12R1.107 CC(=O)\C=C(/N)C1=CC=CC=C1 SBB035905 [1,1,0,0,0,0|0,0,2]=4 350 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 SBB035909 [1,1,0,0,0,0|1,0,1]=4 351 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 SBB001851 [1,1,0,0,0,0|1,0,0]=3 352 B12R1.107 O=C(O)CC(Br)C1=CC=CC=C1 SBB008428 [1,1,0,0,0,0|1,0,0]=3 353 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 SBB063579 [1,1,0,0,0,0|1,0,0]=3 354 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 SBB001885 [1,1,0,0,0,0|2,0,0]=4 355 B12R1.125 C=C(C)COC1=CC=CC=C1N SBB080151 [1,1,0,0,0,0|2,0,0]=4 356 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 SBB079113 [1,1,0,0,0,0|1,0,0]=3 357 B12R1.125 CC(=O)\C=C\C1=C(O)C=CC=C1 SBB087612 [1,1,0,0,0,0|0,0,2]=4 358 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 SBB004532 [1,1,0,0,0,0|2,0,0]=4 359 B12R1.125 CC1=CC=CC=C1CCC(=O)O SBB067749 [1,1,0,0,0,0|1,0,0]=3 360 B12R1.125 CC1=CC=CC=C1NCC(=O)O SBB016671 [1,1,0,0,0,0|2,0,0]=4 361 B12R1.125 NC(=O)COC1=CC=CC=C1Cl SBB116750 [1,1,0,0,0,0|2,0,0]=4 362 B12R1.125 O=C(O)CCC1=CC=CC=C1Br SBB064066 [1,1,0,0,0,0|1,0,0]=3 363 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl SBB069087 [1,1,0,0,0,0|1,0,0]=3 364 B12R1.125 O=C(O)CCC1=CC=CC=C1F SBB010203 [1,1,0,0,0,0|1,0,0]=3 365 B12R1.125 O=C(O)CCC1=CC=CC=C1O SBB063739 [1,1,0,0,0,0|1,0,0]=3 366 B12R1.125 O=C(O)CCN1C=CC=CC1=O SBB072181 [1,1,0,0,0,0|2,0,0]=4 367 B12R1.125 O=C(O)CNC1=CC=CC=C1Cl SBB063875 [1,1,0,0,0,0|2,0,0]=4 368 B12R1.125 O=C(O)COC1=C(O)C=CC=C1 SBB080750 [1,1,0,0,0,0|2,0,0]=4 369 B12R1.125 O=C(O)COC1=CC=CC=C1Br SBB038788 [1,1,0,0,0,0|2,0,0]=4 370 B12R1.125 O=C(O)COC1=CC=CC=C1Cl SBB004546 [1,1,0,0,0,0|2,0,0]=4 371 B12R1.125 O=C(O)COC1=CC=CC=C1F SBB007049 [1,1,0,0,0,0|2,0,0]=4 372 B12R1.226 C=C(C)COC1=CC(N)=CC=C1 SBB080148 [1,1,0,0,0,0|2,0,0]=4 373 B12R1.226 CC(=O)CCC1=CC(Br)=CC=C1 SBB055142 [1,1,0,0,0,0|0,0,0]=2 374 B12R1.226 CC(=O)\C=C\C1=CC=CC(Cl)=C1 SBB057836 [1,1,0,0,0,0|0,0,2]=4 375 B12R1.226 CC1=CC(NCC(=O)O)=CC=C1 SBB046298 [1,1,0,0,0,0|2,0,0]=4 376 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 SBB004530 [1,1,0,0,0,0|2,0,0]=4 377 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 SBB067747 [1,1,0,0,0,0|1,0,0]=3 378 B12R1.226 NC(=O)COC1=CC=CC(Cl)=C1 SBB090331 [1,1,0,0,0,0|2,0,0]=4 379 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 SBB028355 [1,1,0,0,0,0|1,0,0]=3 380 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 SBB010231 [1,1,0,0,0,0|1,0,0]=3 381 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 SBB057915 [1,1,0,0,0,0|1,0,0]=3 382 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 SBB063235 [1,1,0,0,0,0|1,0,0]=3 383 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 SBB005906 [1,1,0,0,0,0|1,0,0]=3 384 B12R1.226 O=C(O)COC1=CC(Br)=CC=C1 SBB015442 [1,1,0,0,0,0|2,0,0]=4 385 B12R1.226 O=C(O)COC1=CC=CC(Cl)=C1 SBB043647 [1,1,0,0,0,0|2,0,0]=4 386 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 SBB027407 [1,1,0,0,0,0|2,0,0]=4 387 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 SBB057482 [1,1,0,0,0,0|2,0,0]=4 388 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 SBB018064 [1,1,0,0,0,0|2,0,0]=4 389 B12R1.4 C(=O)C1=CC=C(OC(C)=O)C=C1 SBB008231 [0,1,0,0,1,0|1,0,1]=4 390 B12R1.4 CC(=O)NC1=CC=C(C=O)C=C1 SBB058823 [0,1,0,0,1,0|1,0,1]=4 391 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 SBB058345 [0,1,0,0,1,0|1,0,0]=3 392 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 SBB058529 [0,1,0,0,1,0|0,0,0]=2 393 B12R1.4 COC1=CC=C(CC(N)=O)C=C1 SBB057982 [0,1,0,0,1,0|1,0,0]=3 394 B12R1.4 COC1=CC=C(CC(N)=S)C=C1 SBB089824 [0,1,0,0,1,0|1,1,0]=4 395 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 SBB056791 [0,1,0,0,1,0|1,0,0]=3 396 B12R1.4 COC1=CC=C(NC(N)=O)C=C1 SBB062093 [0,1,0,0,1,0|2,0,0]=4 397 B12R1.4 CSC1=CC=C(CC(=O)O)C=C1 SBB068771 [0,1,0,0,1,0|1,1,0]=4 398 B12R1.4 CSC1=CC=C(NC(C)=O)C=C1 SBB115654 [0,1,0,0,1,0|1,1,0]=4 399 B12R1.4 N(C(C)=O)C1=CC=C(C#N)C=C1 SBB059552 [0,1,0,0,1,0|2,0,0]=4 400 B12R1.4 NNC1=CC=C(CC(=O)O)C=C1 SBB049852 [0,1,0,0,1,0|2,0,0]=4 401 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 SBB063870 [0,1,0,0,1,0|2,0,0]=4 402 B12R1.19 CC(=O)CC1=CC=C(Cl)C(Cl)=C1 SBB005841 [0,1,0,0,1,0|1,0,0]=3 403 B12R1.19 CC(=O)NC1=CC(Cl)=C(C)C=C1 SBB090087 [0,1,0,0,1,0|2,0,0]=4 404 B12R1.19 CC(=O)NC1=CC(Cl)=C(Cl)C=C1 SBB093225 [0,1,0,0,1,0|2,0,0]=4 405 B12R1.19 CC(=O)NC1=CC(Cl)=C(F)C=C1 SBB090651 [0,1,0,0,1,0|2,0,0]=4 406 B12R1.19 CC(=O)NC1=CC(F)=C(Br)C=C1 SBB097859 [0,1,0,0,1,0|2,0,0]=4 407 B12R1.19 CC(=O)NC1=CC(F)=C(F)C=C1 SBB017328 [0,1,0,0,1,0|2,0,0]=4 408 B12R1.19 CC1=CC(CC(=O)O)=CC=C1F SBB088168 [0,1,0,0,1,0|2,0,0]=4 409 B12R1.19 CC1=CC=C(CC(=O)O)C=C1C SBB017956 [0,1,0,0,1,0|2,0,0]=4 410 B12R1.19 CC1=CC=C(CC(=O)O)C=C1F SBB088167 [0,1,0,0,1,0|2,0,0]=4 411 B12R1.19 NC1=C(O)C=CC(CC(=O)O)=C1 SBB052639 [0,1,0,0,1,0|1,0,0]=3 412 B12R1.19 O=C(O)CC1=CC(Cl)=C(Cl)C=C1 SBB003501 [0,1,0,0,1,0|2,0,0]=4 413 B12R1.19 O=C(O)CC1=CC=C(Cl)C(F)=C1 SBB064497 [0,1,0,0,1,0|2,0,0]=4 414 B12R1.19 O=C(O)CC1=CC=C(F)C(Br)=C1 SBB064034 [0,1,0,0,1,0|2,0,0]=4 415 B12R1.19 O=C(O)CC1=CC=C(F)C(Cl)=C1 SBB064032 [0,1,0,0,1,0|2,0,0]=4 416 B12R1.19 O=C(O)CC1=CC=C(F)C(F)=C1 SBB063735 [0,1,0,0,1,0|2,0,0]=4 417 B12R1.19 O=C(O)CC1=CC=C(O)C(F)=C1 SBB071465 [0,1,0,0,1,0|1,0,0]=3 418 B12R1.19 O=C(O)CC1=CC=C(O)C(O)=C1 SBB064931 [0,1,0,0,1,0|1,0,0]=3 419 B12R1.20 CC(=O)N(C)C1=CC=C(N)C=C1 SBB080453 [0,1,0,0,1,0|2,0,0]=4 420 B12R1.20 CC(=O)N(C)C1=CC=C(O)C=C1 SBB072886 [0,1,0,0,1,0|1,0,0]=3 421 B12R1.20 CC(C(=O)O)C1=CC=C(Cl)C=C1 SBB064110 [0,1,0,0,1,0|2,0,0]=4 422 B12R1.20 CC1=CC=C(C(C)C(=O)O)C=C1 SBB037860 [0,1,0,0,1,0|2,0,0]=4 423 B12R1.20 CC1=CC=C(C(O)C(=O)O)C=C1 SBB065020 [0,1,0,0,1,0|2,0,0]=4 424 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 SBB097533 [0,1,0,0,1,0|2,0,0]=4 425 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 SBB028364 [0,1,0,0,1,0|2,0,0]=4 426 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 SBB062828 [0,1,0,0,1,0|2,0,0]=4 427 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 SBB058359 [0,1,0,0,1,0|1,0,0]=3 428 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 SBB057734 [0,1,0,0,1,0|2,0,0]=4 429 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 SBB008325 [0,1,0,0,1,0|2,0,0]=4 430 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 SBB063787 [0,1,0,0,1,0|2,0,0]=4 431 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 SBB065018 [0,1,0,0,1,0|1,0,0]=3 432 B12R1.20 OC(=O)C(C)C1=CC=C(O)C=C1 SBB003894 [0,1,0,0,1,0|1,0,0]=3 433 B12R1.20 [NH3+]C(C)C(O)C1=CC=C(O)C=C1 SBB056907 [0,1,0,0,1,0|1,0,1]=4 434 B12R1.106 CC(C)(N)CC1=CC=C(O)C=C1 SBB072113 [0,1,0,0,1,0|1,0,1]=4 435 B12R1.233 CC(=O)NC1=C(Br)C=C(F)C=C1 SBB097860 [0,1,0,0,1,0|2,0,0]=4 436 B12R1.233 CC(=O)NC1=C(Cl)C=C(Br)C=C1 SBB100472 [0,1,0,0,1,0|2,0,0]=4 437 B12R1.233 CC(=O)NC1=C(Cl)C=C(F)C=C1 SBB090652 [0,1,0,0,1,0|2,0,0]=4 438 B12R1.233 CC(=O)NC1=C(F)C=C(F)C=C1 SBB088485 [0,1,0,0,1,0|2,0,0]=4 439 B12R1.233 CC(=O)NC1=C(N)C=C(C)C=C1 SBB050334 [0,1,0,0,1,0|2,0,0]=4 440 B12R1.233 CC(=O)NC1=CC=C(Br)C=C1F SBB009911 [0,1,0,0,1,0|2,0,0]=4 441 B12R1.233 CC(=O)NC1=CC=C(Cl)C=C1C SBB090089 [0,1,0,0,1,0|2,0,0]=4 442 B12R1.233 CC(=O)NC1=CC=C(N)C=C1C SBB017958 [0,1,0,0,1,0|2,0,0]=4 443 B12R1.233 CC1=C(CC(=O)O)C=CC(F)=C1 SBB027289 [0,1,0,0,1,0|2,0,0]=4 444 B12R1.233 CC1=CC(F)=C(CC(=O)O)C=C1 SBB088156 [0,1,0,0,1,0|2,0,0]=4 445 B12R1.233 N(C(C)=O)C1=C(C)C=C(Br)C=C1 SBB005784 [0,1,0,0,1,0|2,0,0]=4 446 B12R1.233 N(C(C)=O)C1=C(F)C=C(Cl)C=C1 SBB003684 [0,1,0,0,1,0|2,0,0]=4 447 B12R1.233 NC(=O)CC1=C(Cl)C=C(F)C=C1 SBB090653 [0,1,0,0,1,0|2,0,0]=4 448 B12R1.233 O=C(O)CC1=C(Cl)C=C(Cl)C=C1 SBB003502 [0,1,0,0,1,0|2,0,0]=4 449 B12R1.233 O=C(O)CC1=C(F)C=C(F)C=C1 SBB037936 [0,1,0,0,1,0|2,0,0]=4 450 B12R1.233 O=C(O)CC1=CC=C(Br)C=C1F SBB052731 [0,1,0,0,1,0|2,0,0]=4 451 B12R1.233 O=C(O)CC1=CC=C(Cl)C=C1F SBB064352 [0,1,0,0,1,0|2,0,0]=4 452 B12R1.233 OC(=O)CC1=C(Cl)C=C(F)C=C1 SBB003675 [0,1,0,0,1,0|2,0,0]=4 453 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 SBB063261 [0,1,0,0,0,1|1,0,0]=3 454 B14R1.4 COC1=CC=C(OCCC(=O)O)C=C1 SBB091985 [0,1,0,0,0,1|1,0,0]=3 455 B14R1.13 CC1=CC=C(CSCC(=O)NN)C=C1 SBB046923 [0,1,0,0,0,1|2,0,0]=4 456 B14R1.13 NNC(=O)CSCC1=CC=C(Br)C=C1 SBB046925 [0,1,0,0,0,1|2,0,0]=4 457 B14R1.13 NNC(=O)CSCC1=CC=C(Cl)C=C1 SBB000701 [0,1,0,0,0,1|2,0,0]=4 458 B14R1.13 O=C(CCl)NCCC1=CC=C(Cl)C=C1 SBB037903 [0,1,0,0,0,1|1,0,0]=3 459 B14R1.13 O=C(CCl)NCCC1=CC=C(F)C=C1 SBB302693 [0,1,0,0,0,1|1,0,0]=3 460 B14R1.678 CC(=O)OCC(=O)C1=CC=C(Br)C=C1 SBB101819 [0,1,0,0,0,1|1,0,1]=4 461 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 SBB040537 [0,1,0,0,0,1|2,0,0]=4 462 B14R1.678 CC1=CC=C(C(O)CCC(=O)O)C=C1 SBB010911 [0,1,0,0,0,1|2,0,0]=4 463 B14R1.678 CN(CCC(=O)O)C1=CC=C(F)C=C1 SBB303005 [0,1,0,0,0,1|2,0,0]=4 464 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 SBB000956 [0,1,0,0,0,1|2,0,0]=4 465 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Cl)C=C1 SBB003421 [0,1,0,0,0,1|2,0,0]=4 466 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 SBB042480 [0,1,0,0,0,1|2,0,0]=4 467 B14R1.678 O=C(O)CCC(O)C1=CC=C(F)C=C1 SBB010969 [0,1,0,0,0,1|2,0,0]=4 468 B14R1.678 O=C(O)CNC(=O)C1=CC=C(O)C=C1 SBB056531 [0,1,0,0,0,1|1,0,1]=4 469 B14R1.679 CC(SCC1=CC=C(Cl)C=C1)C(=O)O SBB072997 [0,1,0,0,0,1|2,0,0]=4 470 B14R1.687 CC1=CC(CCCC(=O)O)=CC=C1F SBB302378 [0,1,0,0,0,1|2,0,0]=4 471 B14R1.687 O=C(O)CSCC1=CC(Cl)=C(Cl)C=C1 SBB049919 [0,1,0,0,0,1|2,0,0]=4 472 B14R1.698 CC(=O)CC(=O)NC1=CC=C(Br)C=C1 SBB023572 [0,1,0,0,0,1|1,0,1]=4 473 B14R1.698 CC(=O)CC(=O)NC1=CC=C(C)C=C1 SBB077978 [0,1,0,0,0,1|1,0,1]=4 474 B14R1.698 CC(=O)CC(=O)NC1=CC=C(F)C=C1 SBB023573 [0,1,0,0,0,1|1,0,1]=4 475 B14R1.698 CC(CC(=O)O)SC1=CC=C(F)C=C1 SBB094975 [0,1,0,0,0,1|2,0,0]=4 476 B14R1.698 CN(CC(=O)O)CC1=CC=C(F)C=C1 SBB302219 [0,1,0,0,0,1|2,0,0]=4 477 B14R1.698 N(C(=O)CC(C)=O)C1=CC=C(Cl)C=C1 SBB003431 [0,1,0,0,0,1|1,0,1]=4 478 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Br)C=C1 SBB064590 [0,1,0,0,0,1|2,0,0]=4 479 B14R1.2 CCC1=CC=C(C(N)CC(=O)O)C=C1 SBB091596 [0,2,0,0,0,0|2,0,0]=4 480 B14R1.2 COC1=CC=C(C(=O)CC(C)=O)C=C1 SBB017372 [0,2,0,0,0,0|0,0,1]=3 481 B14R1.2 COC1=CC=C(C(N)CC(=O)O)C=C1 SBB001784 [0,2,0,0,0,0|1,0,0]=3 482 B14R1.2 N#CC1=CC=C(C(N)CC(=O)O)C=C1 SBB091118 [0,2,0,0,0,0|2,0,0]=4 483 B14R1.3 CC(OC1=CC=C(CO)C=C1)C(=O)O SBB302463 [0,2,0,0,0,0|2,0,0]=4 484 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 SBB064007 [0,2,0,0,0,0|1,0,0]=3 485 B14R1.3 COC1=CC=C(OC(C)C(=O)O)C=C1 SBB004557 [0,2,0,0,0,0|2,0,0]=4 486 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 SBB064580 [0,2,0,0,0,0|2,0,0]=4 487 B14R1.5 COC(=O)COC1=CC=C(C=O)C=C1 SBB091714 [0,2,0,0,0,0|1,0,1]=4 488 B14R1.5 COC(=O)COC1=CC=C(OC)C=C1 SBB071632 [0,2,0,0,0,0|1,0,0]=3 489 B14R1.5 COC1=CC=C(CNC(=O)CCl)C=C1 SBB037904 [0,2,0,0,0,0|1,0,0]=3 490 B14R1.5 COC1=CC=C(COC(=O)NN)C=C1 SBB072897 [0,2,0,0,0,0|2,0,0]=4 491 B14R1.5 COC1=CC=C(NCC(=O)NN)C=C1 SBB019863 [0,2,0,0,0,0|2,0,0]=4 492 B14R1.5 COC1=CC=C(OCC(=O)NN)C=C1 SBB005115 [0,2,0,0,0,0|2,0,0]=4 493 B14R1.103 COC1=CC=C(CCC(=O)O)C(C)=C1 SBB303070 [0,2,0,0,0,0|1,0,0]=3 494 B14R1.142 CCOC1=CC=C(CCC(=O)O)C=C1 SBB043645 [0,2,0,0,0,0|1,0,0]=3 495 B14R1.142 O=C(O)COC1=CC=C(\C=N\O)C=C1 SBB028755 [0,2,0,0,0,0|2,0,0]=4 496 B14R1.419 C=C(C)COC1=CC=C(C(=O)O)C=C1 SBB080145 [0,2,0,0,0,0|2,0,0]=4 497 B14R1.419 CC(=O)OCC1=CC=C([N+](=O)[O-])C=C1 SBB068843 [0,2,0,0,0,0|1,0,1]=4 498 B14R1.419 CC(C)C1=CC=C(CCC(=O)O)C=C1 SBB017730 [0,2,0,0,0,0|2,0,0]=4 499 B14R1.419 CN(C)C1=CC=C(CCC(=O)O)C=C1 SBB085364 [0,2,0,0,0,0|2,0,0]=4 500 B14R1.419 O=C(O)CCC1=CC=C(C(=O)O)C=C1 SBB068267 [0,2,0,0,0,0|1,0,0]=3 501 B14R1.419 O=C(O)CCC1=CC=C([N+](=O)[O-])C=C1 SBB051441 [0,2,0,0,0,0|1,0,1]=4 502 B14R1.419 O=C(O)COC1=CC=C(C(=O)O)C=C1 SBB057748 [0,2,0,0,0,0|2,0,0]=4 503 B14R1.3653 COC1=CC=C(CCC(=O)O)C=C1C SBB010912 [0,2,0,0,0,0|1,0,0]=3 504 B14R1.10 CC(NC(=O)CCl)C1=CC=C(Br)C=C1 SBB072814 [0,2,0,0,0,0|2,0,0]=4 505 B14R1.10 COC(=O)CC(=O)C1=CC=C(F)C=C1 SBB065175 [0,2,0,0,0,0|1,0,1]=4 506 B14R1.10 COC(=O)CC(N)C1=CC=C(Br)C=C1 SBB053789 [0,2,0,0,0,0|1,0,0]=3 507 B14R1.134 COC(=O)C(N)CC1=CC=C(Cl)C=C1 SBB003149 [0,2,0,0,0,0|1,0,0]=3 508 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 SBB003272 [0,2,0,0,0,0|0,0,0]=2 509 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 SBB010218 [0,2,0,0,0,0|0,0,0]=2 510 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 SBB010220 [0,2,0,0,0,0|0,0,0]=2 511 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 SBB010225 [0,2,0,0,0,0|0,0,0]=2 512 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 SBB010217 [0,2,0,0,0,0|0,0,0]=2 513 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 SBB010219 [0,2,0,0,0,0|0,0,0]=2 514 B14R1.134 [C@@H](C)(OC1=CC=C(O)C=C1)C(=O)OC SBB071428 [0,2,0,0,0,0|1,0,0]=3 515 B14R1.502 CC1=CC=C(CNC(=O)CC#N)C=C1 SBB049424 [0,2,0,0,0,0|2,0,0]=4 516 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 SBB072991 [0,2,0,0,0,0|1,0,0]=3 517 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 SBB091746 [0,2,0,0,0,0|0,0,0]=2 518 B14R1.502 CCOC(=O)COC1=CC=C(I)C=C1 SBB073630 [0,2,0,0,0,0|2,0,0]=4 519 B14R1.502 N#CCC(=O)NCC1=CC=C(Cl)C=C1 SBB000477 [0,2,0,0,0,0|2,0,0]=4 520 B14R1.502 N#CCC(=O)NCC1=CC=C(F)C=C1 SBB049474 [0,2,0,0,0,0|2,0,0]=4 521 B14R1.833 COC(=O)\C=C\C1=CC(O)=C(O)C=C1 SBB000325 [0,2,0,0,0,0|0,0,2]=4 522 B14R1.833 O=C(CCl)NCC1=CC(Cl)=C(Cl)C=C1 SBB046897 [0,2,0,0,0,0|2,0,0]=4 523 B14R1.132 O=C(O)C(Br)C(Br)C1=CC=C(Cl)C=C1 SBB008202 [0,2,0,0,0,0|2,0,0]=4 524 B14R1.694 CC(=O)CS(=O)(=O)C1=CC=C(C)C=C1 SBB049617 [0,2,0,0,0,0|2,0,0]=4 525 B14R1.694 CC(=O)CS(=O)(=O)C1=CC=C(Cl)C=C1 SBB061850 [0,2,0,0,0,0|2,0,0]=4 526 B14R1.1019 NCC(CC(=O)O)C1=CC=C(Cl)C=C1 SBB017246 [0,2,0,0,0,0|2,0,0]=4 527 B14R1.686 CC1=CC=C(CC(N)C(=O)O)C=C1F SBB092164 [0,2,0,0,0,0|2,0,0]=4 528 B14R1.686 NC(CC1=CC(F)=C(F)C=C1)C(=O)O SBB000397 [0,2,0,0,0,0|2,0,0]=4 529 B14R1.686 N[C@@H](CC1=CC(I)=C(O)C=C1)C(=O)O SBB069112 [0,2,0,0,0,0|1,0,0]=3 530 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O SBB017533 [0,2,0,0,0,0|1,0,0]=3 531 B14R1.686 N[C@@H](CC1=CC=C(Cl)C(Cl)=C1)C(=O)O SBB064177 [0,2,0,0,0,0|2,0,0]=4 532 B14R1.686 N[C@H](CC1=CC(Cl)=C(O)C=C1)C(=O)O SBB064135 [0,2,0,0,0,0|1,0,0]=3 533 B14R1.686 N[C@H](CC1=CC(F)=C(O)C=C1)C(=O)O SBB092435 [0,2,0,0,0,0|1,0,0]=3 534 B14R1.6049 CC1=CC(F)=C(CC(N)C(=O)O)C=C1 SBB092163 [0,2,0,0,0,0|2,0,0]=4 535 B14R1.6049 N[C@@H](CC1=CC=C(Cl)C=C1Cl)C(=O)O SBB064546 [0,2,0,0,0,0|2,0,0]=4 536 B14R1.6049 N[C@H](CC1=CC=C(F)C=C1F)C(=O)O SBB065098 [0,2,0,0,0,0|2,0,0]=4 537 B14R1.7626 CC(N)(CC1=CC=C(O)C=C1)C(=O)O SBB015064 [0,2,0,0,0,0|1,0,0]=3 538 B14R1.3152 CC1=CC(O)=CC(=O)N1CCC(=O)O SBB027406 [0,2,0,0,0,0|2,0,0]=4 539 B14R1.6059 CC1=CC=C(CCC(=O)O)C(F)=C1F SBB092579 [0,2,0,0,0,0|2,0,0]=4 540 B14R1.42 COC1=C(O)C=CC(CCC(=O)O)=C1 SBB014922 [0,2,0,0,0,0|1,0,0]=3 541 B14R1.42 COC1=CC(CCC(C)=O)=CC=C1O SBB071427 [0,2,0,0,0,0|0,0,0]=2 542 B14R1.15552 CC1=CC(CCC(=O)O)=CC(C)=C1F SBB092007 [0,2,0,0,0,0|2,0,0]=4 543 B12R2.24 ClC1=CC2=C(C=C1)CCCC2 SBB060946 [1,0,0,1,0,0|1,0,1]=4 544 B12R2.24 NC1=CC2=C(C=C1)CCCC2 SBB013463 [1,0,0,1,0,0|1,0,1]=4 545 B12R2.132 CC1=CC2=C(C=C1)CCC2=O SBB069423 [1,0,0,1,0,0|1,0,0]=3 546 B12R2.132 NC1=CC2=C(C=C1)CCC2=O SBB066648 [1,0,0,1,0,0|1,0,0]=3 547 B12R2.132 NC1=CC2=C(C=C1)COC2=O SBB028286 [1,0,0,1,0,0|2,0,0]=4 548 B12R2.132 NC1=CC2=C(C=C1)OCC2=O SBB074348 [1,0,0,1,0,0|2,0,0]=4 549 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 SBB067175 [1,0,0,1,0,0|1,0,0]=3 550 B12R2.132 O=C1CCC2=CC=C(F)C=C12 SBB056321 [1,0,0,1,0,0|1,0,0]=3 551 B12R2.132 O=C1COC2=CC=C(Cl)C=C12 SBB068529 [1,0,0,1,0,0|2,0,0]=4 552 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 SBB053554 [1,0,0,1,0,0|1,0,0]=3 553 B12R2.606 CC1=NC2=CC=C(O)C=C2O1 SBB072525 [0,0,0,1,1,0|1,0,1]=4 554 B12R2.606 NC1=CC=C2CC(=O)NC2=C1 SBB072398 [0,0,0,1,1,0|2,0,0]=4 555 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 SBB010120 [0,0,0,1,1,0|2,0,0]=4 556 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 SBB058442 [0,0,0,1,1,0|2,0,0]=4 557 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 SBB005897 [0,0,0,1,1,0|2,0,0]=4 558 B12R2.606 O=C1CC2=C(C=CC(Cl)=C2)N1 SBB003879 [0,0,0,1,1,0|2,0,0]=4 559 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 SBB018719 [0,0,0,1,1,0|2,0,0]=4 560 B12R2.606 O=C1CC2=CC(O)=CC=C2O1 SBB038172 [0,0,0,1,1,0|1,0,0]=3 561 B12R2.606 O=C1OC2=CC=C(O)C=C2S1 SBB012368 [0,0,0,1,1,0|2,0,0]=4 562 B12R2.606 OC1=CC2=C(C=C1)SC(=O)O2 SBB071406 [0,0,0,1,1,0|2,0,0]=4 563 B14R2.20 O=C1CCC(C2=CC=C(F)C=C2)O1 SBB067241 [0,0,0,1,0,1|2,0,0]=4 564 B14R2.4402 CC1=CC=C(C2CC2C(=O)O)C=C1 SBB022730 [0,0,0,1,0,1|2,0,0]=4 565 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 SBB018034 [0,0,0,1,0,1|2,0,0]=4 566 B14R2.5816 CC(=O)N1CCC2=CC=C(N)C=C21 SBB089182 [0,0,0,1,0,1|1,0,0]=3 567 B14R2.134 COC1=CC=C2CCC(=O)CC2=C1 SBB056290 [0,1,0,1,0,0|0,0,0]=2 568 B14R2.134 O=C1COC2=C(C=C(CO)C=C2)N1 SBB051512 [0,1,0,1,0,0|2,0,0]=4 569 B14R2.4513 CN1C(=O)COC2=CC=C(N)C=C21 SBB010626 [0,1,0,1,0,0|2,0,0]=4 570 B10R1.16 CC1=CC=C(CCC=O)O1 SBB017913 [1,0,0,0,1,0|2,0,0]=4 571 B10R1.18 CC(=O)CC1=CC=NC=C1 SBB055597 [1,0,0,0,1,0|1,0,0]=3 572 B10R1.18 CC(=O)NC1=CC=CC=C1 SBB040833 [1,0,0,0,1,0|1,0,0]=3 573 B10R1.18 CC(=O)NC1=CC=CC=N1 SBB085932 [1,0,0,0,1,0|2,0,0]=4 574 B10R1.18 CC(=O)NC1=CC=NC=C1 SBB085931 [1,0,0,0,1,0|2,0,0]=4 575 B10R1.18 CC(=O)OC1=CC=CC=C1 SBB058747 [1,0,0,0,1,0|1,0,0]=3 576 B10R1.18 CC(=S)NC1=CC=CC=C1 SBB086797 [1,0,0,0,1,0|1,1,0]=4 577 B10R1.18 CN(C)CC1=CC=CC=C1 SBB060233 [1,0,0,0,1,0|2,0,0]=4 578 B10R1.18 NC(=O)CC1=CC=CC=C1 SBB017634 [1,0,0,0,1,0|1,0,0]=3 579 B10R1.18 NC(=O)NC1=CC=CC=C1 SBB058197 [1,0,0,0,1,0|2,0,0]=4 580 B10R1.18 NC(=S)CC1=CC=CC=C1 SBB016517 [1,0,0,0,1,0|1,1,0]=4 581 B10R1.18 O=C(Cl)CC1=CC=CC=C1 SBB040622 [1,0,0,0,1,0|1,0,0]=3 582 B10R1.18 O=C(Cl)OC1=CC=CC=C1 SBB060851 [1,0,0,0,1,0|2,0,0]=4 583 B10R1.18 O=C(O)CC1=CC=CN=C1 SBB003812 [1,0,0,0,1,0|2,0,0]=4 584 B10R1.18 O=C(O)CC1=NC=CC=C1 SBB003810 [1,0,0,0,1,0|2,0,0]=4 585 B10R1.18 OC(=O)CC1=CC=NC=C1 SBB005759 [1,0,0,0,1,0|2,0,0]=4 586 B10R1.18 [NH2+](C(=O)Cl)C1=CC=CC=C1 SBB060746 [1,0,0,0,1,0|2,0,0]=4 587 B10R1.66 CC(=O)CCN1C=CC=N1 SBB047979 [1,0,0,0,1,0|2,0,0]=4 588 B10R1.66 CC(=O)OCC1=CC=CO1 SBB055767 [1,0,0,0,1,0|2,0,0]=4 589 B10R1.66 CC(=O)SCC1=CC=CO1 SBB057323 [1,0,0,0,1,0|2,0,0]=4 590 B10R1.66 O=C(O)CCN1C=CC=C1 SBB010274 [1,0,0,0,1,0|2,0,0]=4 591 B10R1.66 OC(=O)CCC1=CC=CO1 SBB005449 [1,0,0,0,1,0|2,0,0]=4 592 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 SBB040244 [0,0,0,0,2,0|1,0,0]=3 593 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 SBB055637 [0,0,0,0,2,0|2,0,0]=4 594 B10R1.13 CC(=O)C1=CC=C(C)C=C1 SBB058845 [0,0,0,0,2,0|1,0,0]=3 595 B10R1.13 CC(=O)C1=CC=C(C)N=C1 SBB055610 [0,0,0,0,2,0|2,0,0]=4 596 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 SBB040243 [0,0,0,0,2,0|1,0,0]=3 597 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 SBB055593 [0,0,0,0,2,0|2,0,0]=4 598 B10R1.13 CC(=O)C1=CC=C(F)C=C1 SBB040257 [0,0,0,0,2,0|1,0,0]=3 599 B10R1.13 CC(=O)C1=CC=C(I)C=C1 SBB058956 [0,0,0,0,2,0|1,0,0]=3 600 B10R1.13 CC(=O)C1=CC=C(N)C=C1 SBB040278 [0,0,0,0,2,0|1,0,0]=3 601 B10R1.13 CC(=O)C1=CC=C(O)C=C1 SBB040251 [0,0,0,0,2,0|0,0,0]=2 602 B10R1.13 CC(N)C1=CC=C(O)C=C1 SBB008453 [0,0,0,0,2,0|1,0,1]=4 603 B10R1.13 CC(N)C1=CC=C(O)C=C1 SBB080372 [0,0,0,0,2,0|1,0,1]=4 604 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 SBB058746 [0,0,0,0,2,0|2,0,0]=4 605 B10R1.13 CC1=CC=C(C(=O)O)C=C1 SBB040516 [0,0,0,0,2,0|2,0,0]=4 606 B10R1.13 CC1=CC=C(C(N)=O)C=C1 SBB007862 [0,0,0,0,2,0|2,0,0]=4 607 B10R1.13 NC(=O)C1=CC=C(F)C=C1 SBB086057 [0,0,0,0,2,0|2,0,0]=4 608 B10R1.13 NC(=O)C1=CC=C(N)C=C1 SBB028159 [0,0,0,0,2,0|2,0,0]=4 609 B10R1.13 NC(=O)C1=CC=C(O)C=C1 SBB058350 [0,0,0,0,2,0|1,0,0]=3 610 B10R1.13 NC(=S)C1=CC=C(O)C=C1 SBB066605 [0,0,0,0,2,0|1,1,0]=4 611 B10R1.13 NC1=CC=C(C(=O)O)C=C1 SBB058665 [0,0,0,0,2,0|2,0,0]=4 612 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 SBB058718 [0,0,0,0,2,0|2,0,0]=4 613 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 SBB058751 [0,0,0,0,2,0|2,0,0]=4 614 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 SBB040628 [0,0,0,0,2,0|2,0,0]=4 615 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 SBB040519 [0,0,0,0,2,0|2,0,0]=4 616 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 SBB040517 [0,0,0,0,2,0|2,0,0]=4 617 B10R1.13 O=C(O)C1=CC=C(F)C=C1 SBB008568 [0,0,0,0,2,0|2,0,0]=4 618 B10R1.13 O=C(O)C1=CC=C(I)C=C1 SBB063146 [0,0,0,0,2,0|2,0,0]=4 619 B10R1.13 O=C(O)C1=CC=C(O)N=C1 SBB004181 [0,0,0,0,2,0|2,0,0]=4 620 B10R1.13 O=C(O)C1=NC=C(O)C=C1 SBB052998 [0,0,0,0,2,0|2,0,0]=4 621 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 SBB040875 [0,0,0,0,2,0|2,0,0]=4 622 B12R1.252 CC(=O)CCCC1=CC=CC=N1 SBB018700 [1,0,0,0,0,1|1,0,0]=3 623 B12R1.252 CC(=O)CSCC1=CC=CC=C1 SBB058580 [1,0,0,0,0,1|0,0,0]=2 624 B12R1.252 CC(=O)NCCC1=CC=CC=C1 SBB058213 [1,0,0,0,0,1|0,0,0]=2 625 B12R1.252 CC(=O)OCCC1=CC=CC=C1 SBB061194 [1,0,0,0,0,1|0,0,0]=2 626 B12R1.252 CC(=O)\C=N\NC1=CC=CC=C1 SBB056716 [1,0,0,0,0,1|1,0,1]=4 627 B12R1.252 CC(C)NCCC1=CC=CC=C1 SBB080102 [1,0,0,0,0,1|1,0,1]=4 628 B12R1.252 CC(N)CCCC1=CC=CC=C1 SBB010444 [1,0,0,0,0,1|1,0,1]=4 629 B12R1.252 N=C(N)NCCC1=CC=CC=C1 SBB102430 [1,0,0,0,0,1|2,0,0]=4 630 B12R1.252 NC(=O)CCCC1=CC=CC=C1 SBB051450 [1,0,0,0,0,1|1,0,0]=3 631 B12R1.252 NC(=S)NCCC1=CC=CC=C1 SBB017394 [1,0,0,0,0,1|1,1,0]=4 632 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 SBB040702 [1,0,0,0,0,1|1,0,0]=3 633 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 SBB063195 [1,0,0,0,0,1|1,0,0]=3 634 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SBB008452 [1,0,0,0,0,1|1,0,0]=3 635 B12R1.252 O=C(O)CCCC1=CC=CC=N1 SBB014662 [1,0,0,0,0,1|2,0,0]=4 636 B12R1.252 O=C(O)CCCC1=CC=NC=C1 SBB014669 [1,0,0,0,0,1|2,0,0]=4 637 B12R1.252 O=C(O)CCSC1=CC=CC=C1 SBB049906 [1,0,0,0,0,1|1,0,0]=3 638 B12R1.252 O=C(O)CCSC1=CC=CC=N1 SBB103611 [1,0,0,0,0,1|2,0,0]=4 639 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SBB003529 [1,0,0,0,0,1|1,0,0]=3 640 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SBB063075 [1,0,0,0,0,1|1,0,0]=3 641 B12R1.252 O=C(O)COCC1=CC=CC=C1 SBB048109 [1,0,0,0,0,1|1,0,0]=3 642 B12R1.252 O=C(O)CSCC1=CC=CC=C1 SBB042552 [1,0,0,0,0,1|1,0,0]=3 643 B12R1.252 OC(=O)CCOC1=CC=CC=C1 SBB003895 [1,0,0,0,0,1|1,0,0]=3 644 B14R1.677 CC(=O)NCCOC1=CC=C(C)C=C1 SBB072487 [0,0,0,0,0,2|1,0,0]=3 645 B14R1.677 CC(=O)NCCOC1=CC=C(Cl)C=C1 SBB072276 [0,0,0,0,0,2|1,0,0]=3 646 B14R1.677 CC(=O)NCCOC1=CC=C(N)C=C1 SBB072945 [0,0,0,0,0,2|1,0,0]=3 647 B14R1.677 CC(=O)NCCOC1=CC=C(O)C=C1 SBB071959 [0,0,0,0,0,2|0,0,0]=2 648 B14R1.677 CC1=CC=C(OCCCC(=O)O)C=C1 SBB015616 [0,0,0,0,0,2|2,0,0]=4 649 B14R1.677 O=C(O)CCCCC1=CC=C(F)C=C1 SBB016923 [0,0,0,0,0,2|2,0,0]=4 650 B14R1.677 O=C(O)CCCCC1=CC=C(O)C=C1 SBB037869 [0,0,0,0,0,2|1,0,0]=3 651 B14R1.677 O=C(O)CCCOC1=CC=C(Cl)C=C1 SBB008253 [0,0,0,0,0,2|2,0,0]=4 652 B14R1.677 O=C(O)CCSCC1=CC=C(F)C=C1 SBB111688 [0,0,0,0,0,2|2,0,0]=4