0 B11R1.40 C=CC(=C)SC1=CC=CC=C1 S767840 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.40 CC(CC1=CC=CC=C1)NN PH000293 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.40 CN(C#N)CC1=CC=CC=C1 PH008772 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [0,0,0,0,0,0|2,1,0]=3 7 B11R1.40 CNC(C)CC1=NC=CC=C1 CBR00462 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [0,0,0,0,0,0|1,0,1]=2 9 B11R1.40 CO/C(=N/C1=CC=CC=C1)/[O-] R466441 [0,0,0,0,0,0|1,0,1]=2 10 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.40 COC(=O)CC1=CC=NC=C1 PH014598 [0,0,0,0,0,0|1,0,0]=1 12 B11R1.40 COC(=O)CC1=CN=CC=C1 S363855 [0,0,0,0,0,0|1,0,0]=1 13 B11R1.40 COC(=O)C[N+]1=CC=CN=C1 S225894 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [0,0,0,0,0,0|1,0,0]=1 15 B11R1.40 COC(=O)NC1=CN=CC=C1 R427268 [0,0,0,0,0,0|2,0,0]=2 16 B11R1.40 CSC(=N)NC1=CC=CC=C1 S530859 [0,0,0,0,0,0|2,1,0]=3 17 B11R1.40 CSC(=S)NC1=CC=CC=C1 PH004233 [0,0,0,0,0,0|1,2,0]=3 18 B11R1.40 CSC(=S)NC1=CC=CC=N1 PH002652 [0,0,0,0,0,0|2,2,0]=4 19 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 BOG00118 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 CDS003635 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [0,0,0,0,0,0|1,0,0]=1 25 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.40 OC(CCl)CC1=CC=CC=C1 S825743 [0,0,0,0,0,0|2,0,2]=4 27 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.17 CCCC[N+]1=CC=CC=C1 CDS000353 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.17 CCNCC1=NC=CC=C1 CBR00044 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.17 CNCCC1=NC=CC=C1 R750492 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.17 COCCC1=CC=NC=C1 PH007374 [1,0,0,0,0,0|1,0,1]=3 35 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [1,0,0,0,0,0|0,1,1]=3 36 B10R1.17 CSCCC1=NC=CC=C1 PH007369 [1,0,0,0,0,0|1,1,1]=4 37 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [1,0,0,0,0,0|1,1,1]=4 39 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [1,0,0,0,0,0|1,0,0]=2 40 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [1,0,0,0,0,0|1,0,0]=2 41 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [1,0,0,0,0,0|1,0,0]=2 42 B10R1.18 CC(=O)CC1=CN=CC=N1 CDS013843 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [1,0,0,0,0,0|1,0,0]=2 44 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [1,0,0,0,0,0|1,0,0]=2 45 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.18 CN(C)CC1=CC=CC=N1 S360821 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [1,0,0,0,0,0|1,0,2]=4 52 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.18 O=C(O)CC1=CN=CC=N1 CDS003770 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [1,0,0,0,0,0|1,0,1]=3 57 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [1,0,0,0,0,0|1,0,1]=3 58 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [1,0,0,0,0,0|1,0,1]=3 59 B12R1.32 CC#CC(O)CC1=CC=CC=C1 S935468 [0,1,0,0,0,0|1,0,2]=4 60 B12R1.32 CCCC(O)CC1=CC=CC=C1 R425753 [0,1,0,0,0,0|1,0,2]=4 61 B12R1.32 CCNC(=O)CC1=CC=CC=C1 PH007355 [0,1,0,0,0,0|1,0,0]=2 62 B12R1.32 CCNC(=O)NC1=CC=CC=C1 S591637 [0,1,0,0,0,0|2,0,0]=3 63 B12R1.32 CCNC(=S)NC1=CC=CC=C1 S599166 [0,1,0,0,0,0|2,1,0]=4 64 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 L497142 [0,1,0,0,0,0|1,0,0]=2 65 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 S343471 [0,1,0,0,0,0|1,0,0]=2 66 B12R1.32 CCOC(=O)NC1=CC=CC=C1 S714615 [0,1,0,0,0,0|1,0,0]=2 67 B12R1.32 CCOC(=O)NC1=CC=CC=N1 PH000186 [0,1,0,0,0,0|2,0,0]=3 68 B12R1.32 CCOC(=O)NC1=CN=CC=C1 EME00390 [0,1,0,0,0,0|2,0,0]=3 69 B12R1.32 CCOC(=O)OC1=CC=CC=C1 S509043 [0,1,0,0,0,0|1,0,0]=2 70 B12R1.32 CCOC(=S)NC1=CC=CC=C1 S412716 [0,1,0,0,0,0|1,1,0]=3 71 B12R1.32 CN(CCCl)CC1=CC=CC=C1 S427179 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 R611433 [0,1,0,0,0,0|2,0,1]=4 73 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 S534161 [0,1,0,0,0,0|2,0,1]=4 74 B12R1.32 NCCC(=O)NC1=CC=CC=C1 CBR00894 [0,1,0,0,0,0|2,0,0]=3 75 B12R1.32 O=C(/C=N/O)NC1=CC=CC=C1 PH000185 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.32 O=C(CCBr)NC1=CC=CC=C1 PH014668 [0,1,0,0,0,0|2,0,0]=3 77 B12R1.32 O=C(CCCl)OC1=CC=CC=C1 T281719 [0,1,0,0,0,0|2,0,0]=3 78 B12R1.32 O=CNC(=O)CC1=CC=CC=C1 S909793 [0,1,0,0,0,0|1,0,1]=3 79 B12R1.32 O=CNC(=O)NC1=CC=CC=C1 S856495 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.34 CCC(=O)C(C)C1=CC=CC=C1 S593516 [0,1,0,0,0,0|1,0,0]=2 81 B12R1.34 CCC(=O)N(C)C1=CC=CC=C1 S593400 [0,1,0,0,0,0|2,0,0]=3 82 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S310085 [0,1,0,0,0,0|1,0,2]=4 83 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S490628 [0,1,0,0,0,0|1,0,2]=4 84 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S494461 [0,1,0,0,0,0|1,0,2]=4 85 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S497460 [0,1,0,0,0,0|1,0,2]=4 86 B12R1.34 CN(C(=O)CBr)C1=CC=CC=C1 CBR00334 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 S91740 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 S953326 [0,1,0,0,0,0|3,0,0]=4 89 B12R1.34 CNC(=O)C(C)C1=CC=CC=C1 PH007481 [0,1,0,0,0,0|1,0,0]=2 90 B12R1.34 CNC(C)C(O)C1=CC=CC=C1 PH018434 [0,1,0,0,0,0|2,0,1]=4 91 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 T278246 [0,1,0,0,0,0|0,0,0]=1 92 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 S792535 [0,1,0,0,0,0|0,0,0]=1 93 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 S888060 [0,1,0,0,0,0|0,0,0]=1 94 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 TMT00574 [0,1,0,0,0,0|0,0,0]=1 95 B12R1.34 COC(=O)C(O)C1=CN=CC=C1 PH015315 [0,1,0,0,0,0|1,0,0]=2 96 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 PH006903 [0,1,0,0,0,0|2,0,0]=3 97 B12R1.43 CC(C)C(=O)NC1=CC=CC=C1 S799874 [0,1,0,0,0,0|2,0,0]=3 98 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 S939773 [0,1,0,0,0,0|2,0,0]=3 99 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 PH011659 [0,1,0,0,0,0|2,0,0]=3 100 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 S889105 [0,1,0,0,0,0|1,0,0]=2 101 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 S579718 [0,1,0,0,0,0|2,0,0]=3 102 B12R1.43 CN(C)C(=O)OC1=CC=CC=C1 S364436 [0,1,0,0,0,0|2,0,0]=3 103 B12R1.43 CN(C)C(=O)OC1=CN=CC=C1 PH016102 [0,1,0,0,0,0|3,0,0]=4 104 B12R1.43 CN(C)C(=S)NC1=CC=CC=C1 S347302 [0,1,0,0,0,0|2,1,0]=4 105 B12R1.43 CN(N)C(=S)NC1=CC=CC=C1 PH009743 [0,1,0,0,0,0|2,1,0]=4 106 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl S278947 [0,1,0,0,0,0|3,0,0]=4 107 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl S390305 [0,1,0,0,0,0|3,0,0]=4 108 B12R1.49 CCC(=O)NC1=CC=C(C=C1)Br S695114 [0,1,0,0,0,0|2,0,0]=3 109 B12R1.49 CCC(=O)NC1=CC=C(C=C1)C S825255 [0,1,0,0,0,0|2,0,0]=3 110 B12R1.49 CCC(=O)NC1=CC=C(C=C1)Cl S790958 [0,1,0,0,0,0|2,0,0]=3 111 B12R1.49 CCC(=O)NC1=CC=C(C=C1)F S397512 [0,1,0,0,0,0|2,0,0]=3 112 B12R1.49 CCC(=O)NC1=CC=C(C=C1)I S916560 [0,1,0,0,0,0|2,0,0]=3 113 B12R1.49 CCC(=O)NC1=CC=C(C=C1)N R703206 [0,1,0,0,0,0|2,0,0]=3 114 B12R1.49 CCC(=S)NC1=CC=C(C=C1)Cl S390224 [0,1,0,0,0,0|2,1,0]=4 115 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Br S665088 [0,1,0,0,0,0|2,0,0]=3 116 B12R1.49 CNC(=O)NC1=CC=C(C=C1)C S644315 [0,1,0,0,0,0|2,0,0]=3 117 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S279838 [0,1,0,0,0,0|2,0,0]=3 118 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S591734 [0,1,0,0,0,0|2,0,0]=3 119 B12R1.49 CNC(=O)OC1=CC=C(C=C1)Br S763187 [0,1,0,0,0,0|2,0,0]=3 120 B12R1.49 CNC(=O)OC1=CC=C(C=C1)F S772801 [0,1,0,0,0,0|2,0,0]=3 121 B12R1.49 CNC(=O)SC1=CC=C(C=C1)Cl S903612 [0,1,0,0,0,0|2,0,0]=3 122 B12R1.49 CNC(=S)NC1=CC=C(C=C1)Br PH010047 [0,1,0,0,0,0|2,1,0]=4 123 B12R1.49 CNC(=S)NC1=CC=C(C=C1)C PH010042 [0,1,0,0,0,0|2,1,0]=4 124 B12R1.49 CNC(=S)NC1=CC=C(C=C1)Cl PH009766 [0,1,0,0,0,0|2,1,0]=4 125 B12R1.49 CNC(=S)NC1=CC=C(C=C1)F TMT00071 [0,1,0,0,0,0|2,1,0]=4 126 B12R1.49 CNC(=S)NC1=CC=C(C=C1)I TMT00123 [0,1,0,0,0,0|2,1,0]=4 127 B12R1.49 CNC(C)CC1=CC=C(C=C1)O S411558 [0,1,0,0,0,0|2,0,1]=4 128 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PH005153 [0,1,0,0,0,0|0,0,0]=1 129 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl S734578 [0,1,0,0,0,0|0,0,0]=1 130 B12R1.49 COC(=O)CC1=CC=C(C=C1)N CDS002964 [0,1,0,0,0,0|0,0,0]=1 131 B12R1.49 COC(=O)CC1=CC=C(C=N1)Br PHB00159 [0,1,0,0,0,0|1,0,0]=2 132 B12R1.49 COC(=O)C[N+]1=CC=C(C=C1)C S225843 [0,1,0,0,0,0|1,0,0]=2 133 B12R1.49 COC(=O)NC1=CC=C(C=C1)Br S667692 [0,1,0,0,0,0|1,0,0]=2 134 B12R1.49 COC(=O)NC1=CC=C(C=C1)C S612707 [0,1,0,0,0,0|1,0,0]=2 135 B12R1.49 CS/C(=N/C1=CC=C(C=C1)Cl)/N PH011891 [0,1,0,0,0,0|2,1,0]=4 136 B12R1.49 N#CC(=O)NC1=CC=C(C=C1)Br S898104 [0,1,0,0,0,0|3,0,0]=4 137 B12R1.49 N#CC(=O)NC1=CC=C(C=C1)Cl S898090 [0,1,0,0,0,0|3,0,0]=4 138 B12R1.49 N/C(=N/O)/CC1=CC=C(C=C1)Br PH014888 [0,1,0,0,0,0|3,0,0]=4 139 B12R1.49 O=C(CBr)NC1=CC=C(C=C1)Br PH011084 [0,1,0,0,0,0|3,0,0]=4 140 B12R1.49 O=C(CBr)NC1=CC=C(C=C1)Cl PH010742 [0,1,0,0,0,0|3,0,0]=4 141 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)Cl S188883 [0,1,0,0,0,0|3,0,0]=4 142 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)Cl S407488 [0,1,0,0,0,0|3,0,0]=4 143 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)F S728950 [0,1,0,0,0,0|3,0,0]=4 144 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)I S878219 [0,1,0,0,0,0|3,0,0]=4 145 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)O T304573 [0,1,0,0,0,0|3,0,0]=4 146 B12R1.49 O=C(CI)NC1=CC=C(C=C1)Br S399272 [0,1,0,0,0,0|3,0,0]=4 147 B12R1.49 O=C(CS)NC1=CC=C(C=C1)F OTV001006 [0,1,0,0,0,0|3,0,0]=4 148 B12R1.49 O=C(NO)NC1=CC=C(C=C1)Br S649791 [0,1,0,0,0,0|3,0,0]=4 149 B12R1.49 O=C(NO)NC1=CC=C(C=C1)Cl S595675 [0,1,0,0,0,0|3,0,0]=4 150 B12R1.50 CC1=CC(=CC=C1)C/C(=N/O)/N BOG00133 [0,1,0,0,0,0|3,0,0]=4 151 B12R1.50 CC1=CC=CC(=C1)NC(=O)CO OTV000598 [0,1,0,0,0,0|3,0,0]=4 152 B12R1.50 CC1=CC=CC(=C1)NC(=O)CS OTV001005 [0,1,0,0,0,0|3,0,0]=4 153 B12R1.50 CCC(=O)NC1=CC(=CC=C1)Br S700290 [0,1,0,0,0,0|2,0,0]=3 154 B12R1.50 CCC(=O)NC1=CC(=CC=C1)Cl R131474 [0,1,0,0,0,0|2,0,0]=3 155 B12R1.50 CNC(=O)NC1=CC(=CC=C1)C S652741 [0,1,0,0,0,0|2,0,0]=3 156 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Br S711292 [0,1,0,0,0,0|2,0,0]=3 157 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Cl S611093 [0,1,0,0,0,0|2,0,0]=3 158 B12R1.50 CNC(=O)OC1=CC=CC(=C1)Cl PH009057 [0,1,0,0,0,0|2,0,0]=3 159 B12R1.50 CNC(=S)NC1=CC(=CC=C1)C PH010051 [0,1,0,0,0,0|2,1,0]=4 160 B12R1.50 CNC(=S)NC1=CC=CC(=C1)F S913731 [0,1,0,0,0,0|2,1,0]=4 161 B12R1.50 COC(=O)NC1=CC(=CC=C1)C S606871 [0,1,0,0,0,0|1,0,0]=2 162 B12R1.50 COC(=O)NC1=CC(=CC=C1)Cl S594326 [0,1,0,0,0,0|1,0,0]=2 163 B12R1.50 O=C(CCl)NC1=CC(=CC=C1)Cl TMT00606 [0,1,0,0,0,0|3,0,0]=4 164 B12R1.50 O=C(CCl)NC1=CC(=CC=C1)F R822876 [0,1,0,0,0,0|3,0,0]=4 165 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl R631787 [0,1,0,0,0,0|3,0,0]=4 166 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl S652261 [0,1,0,0,0,0|3,0,0]=4 167 B12R1.118 C/N=C(\NC1=CC=CC=C1)/SC S630055 [0,1,0,0,0,0|2,1,0]=4 168 B12R1.118 CCN(CC)CC1=CC=CC=C1 R235946 [0,1,0,0,0,0|3,0,0]=4 169 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 PH008400 [0,1,0,0,0,0|1,0,2]=4 170 B12R1.118 COC(OC)SC1=CC=CC=C1 S866296 [0,1,0,0,0,0|1,0,2]=4 171 B12R1.194 CCC(C)(O)CC1=CC=CC=C1 PH010917 [0,1,0,0,0,0|1,0,2]=4 172 B12R1.194 CCS(=O)(=O)CC1=CC=CC=C1 PH000278 [0,1,0,0,0,0|2,0,0]=3 173 B12R1.194 CNS(=O)(=O)CC1=CC=CC=C1 PH011278 [0,1,0,0,0,0|2,0,0]=3 174 B12R1.194 O=S(=O)(CCl)CC1=CC=CC=C1 T163902 [0,1,0,0,0,0|3,0,0]=4 175 B12R1.371 CC1=C(C=CC=C1)NC(=O)C#N S898007 [0,1,0,0,0,0|3,0,0]=4 176 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S278939 [0,1,0,0,0,0|3,0,0]=4 177 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S292044 [0,1,0,0,0,0|3,0,0]=4 178 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S378208 [0,1,0,0,0,0|3,0,0]=4 179 B12R1.371 CC1=CC=CC=C1NC(=O)CN CBR02475 [0,1,0,0,0,0|3,0,0]=4 180 B12R1.371 CCC(=O)NC1=C(C=CC=C1)Cl R131482 [0,1,0,0,0,0|2,0,0]=3 181 B12R1.371 CCN(N)CC1=C(C=CC=C1)Br PH000635 [0,1,0,0,0,0|3,0,0]=4 182 B12R1.371 CNC(=O)NC1=C(C=CC=C1)C S606529 [0,1,0,0,0,0|2,0,0]=3 183 B12R1.371 CNC(=O)NC1=CC=CC=C1Cl S595381 [0,1,0,0,0,0|2,0,0]=3 184 B12R1.371 CNC(=S)NC1=C(C=CC=C1)C PH010050 [0,1,0,0,0,0|2,1,0]=4 185 B12R1.371 CNC(=S)NC1=C(C=CC=C1)Cl PH010055 [0,1,0,0,0,0|2,1,0]=4 186 B12R1.371 COC(=O)CC1=C(C=CC=C1)Cl EME00173 [0,1,0,0,0,0|0,0,0]=1 187 B12R1.371 COC(=O)CC1=CC=CC=C1Br CDS003546 [0,1,0,0,0,0|0,0,0]=1 188 B12R1.371 COC(=O)CC1=CC=CC=C1F VBP00089 [0,1,0,0,0,0|0,0,0]=1 189 B12R1.371 COC(=O)C[N+]1=CC=CC=C1C R433624 [0,1,0,0,0,0|1,0,0]=2 190 B12R1.371 COC(=O)NC1=C(C=CC=C1)C S628336 [0,1,0,0,0,0|1,0,0]=2 191 B12R1.371 COC(=O)NC1=C(C=CC=C1)Cl S634352 [0,1,0,0,0,0|1,0,0]=2 192 B12R1.371 N#CC(=O)NC1=C(C=CC=C1)Cl S898082 [0,1,0,0,0,0|3,0,0]=4 193 B12R1.371 N#CC(=O)NC1=C(C=CC=C1)F S898724 [0,1,0,0,0,0|3,0,0]=4 194 B12R1.371 NNC(=O)CC1=C(C=CC=C1)F CBR02131 [0,1,0,0,0,0|2,0,0]=3 195 B12R1.371 NNC(=O)CC1=CC=CC=C1O S668850 [0,1,0,0,0,0|2,0,0]=3 196 B12R1.371 O=C(CCl)NC1=C(C=CC=C1)F R590193 [0,1,0,0,0,0|3,0,0]=4 197 B12R1.371 O=C(CCl)NC1=C(C=CC=C1)O S501069 [0,1,0,0,0,0|3,0,0]=4 198 B12R1.371 O=C(CCl)OC1=C(C=CC=C1)F PH008803 [0,1,0,0,0,0|3,0,0]=4 199 B12R1.371 O=C(CI)NC1=CC=CC=C1Cl R823252 [0,1,0,0,0,0|3,0,0]=4 200 B12R1.371 O=C(NO)NC1=CC=CC=C1Cl S647209 [0,1,0,0,0,0|3,0,0]=4 201 B10R0.18 C=CCCC(=O)CC(=O)OC T272175 [0,0,1,0,0,0|1,0,2]=4 202 B12R2.18 C=C1SC2=C(N1C)C=CC=C2 PH003997 [0,0,0,1,0,0|3,0,0]=4 203 B12R2.18 CC1=[N+](C2=C(S1)C=CC=C2)C S439762 [0,0,0,1,0,0|3,0,0]=4 204 B12R2.18 CC1=[N+](C2=C(S1)C=CC=C2)C S570850 [0,0,0,1,0,0|3,0,0]=4 205 B12R2.18 CC1CC2=C(N1C)C=CC=C2 S786780 [0,0,0,1,0,0|2,0,1]=4 206 B12R2.18 CN1C(=N)SC2=C1C=CC=C2 R306630 [0,0,0,1,0,0|3,0,0]=4 207 B12R2.18 CN1C(=NC2=C1C=CC=C2)N S11372 [0,0,0,1,0,0|3,0,0]=4 208 B12R2.18 CN1C(=O)CN2C1C=CC=C2 T144355 [0,0,0,1,0,0|2,0,1]=4 209 B12R2.18 CN1C(=O)NC2=CC=CC=C12 PH010060 [0,0,0,1,0,0|2,0,0]=3 210 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 TMT00405 [0,0,0,1,0,0|2,1,0]=4 211 B12R2.18 C[N+]1=C(SC2=C1C=CC=C2)Cl S764973 [0,0,0,1,0,0|3,0,0]=4 212 B12R2.18 NC1C(=O)NC2=CC=CC=C12 CBR00797 [0,0,0,1,0,0|3,0,0]=4 213 B12R2.18 NN1C(=O)CC2=CC=CC=C12 PH002340 [0,0,0,1,0,0|2,0,0]=3 214 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [0,0,0,1,0,0|2,0,0]=3 215 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [0,0,0,1,0,0|3,0,0]=4 216 B12R2.24 NC1=NCC2=CC=CC=C2N1 PH012493 [0,0,0,1,0,0|3,0,0]=4 217 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [0,0,0,1,0,0|3,0,0]=4 218 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [0,0,0,1,0,0|2,0,0]=3 219 B12R2.24 OC1CCC2=C(C1)C=CC=C2 TMT00302 [0,0,0,1,0,0|1,0,2]=4 220 B12R2.24 S=C1CCC2=C(N1)C=CC=C2 PH009536 [0,0,0,1,0,0|2,1,0]=4 221 B12R2.24 S=C1NCC2=CC=CC=C2N1 PH005120 [0,0,0,1,0,0|2,1,0]=4 222 B12R2.32 CNC1CC2=CC=CC=C2C1 CBR01430 [0,0,0,1,0,0|2,0,1]=4 223 B12R2.32 CSC1=NC2=C(N1)C=CC=C2 R429929 [0,0,0,1,0,0|2,1,0]=4 224 B12R2.32 CSC1=NC2=C(O1)C=CC=C2 S872989 [0,0,0,1,0,0|1,1,1]=4 225 B12R2.32 C[Se]C1=NC2=C(N1)C=CC=C2 S202851 [0,0,0,1,0,0|2,1,0]=4 226 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [0,0,0,0,1,0|3,0,0]=4 227 B10R1.15 C1(C=CCC=C1)C(=O)OC T175234 [0,0,0,0,1,0|0,0,2]=3 228 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [0,0,0,0,1,0|1,0,0]=2 229 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [0,0,0,0,1,0|3,0,0]=4 230 B10R1.15 CCC(=O)C1=NC=CC=C1 CDS007501 [0,0,0,0,1,0|2,0,0]=3 231 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [0,0,0,0,1,0|3,0,0]=4 232 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [0,0,0,0,1,0|3,0,0]=4 233 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [0,0,0,0,1,0|2,0,1]=4 234 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [0,0,0,0,1,0|2,0,1]=4 235 B10R1.15 CSC(=N)C1=CC=CC=N1 BOG00223 [0,0,0,0,1,0|2,1,0]=4 236 B10R1.15 CSC(=N)C1=CC=NC=C1 BOG00224 [0,0,0,0,1,0|2,1,0]=4 237 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [0,0,0,0,1,0|0,1,0]=2 238 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [0,0,0,0,1,0|3,0,0]=4 239 B10R1.15 NCC(=O)C1=CC=NC=C1 PH019007 [0,0,0,0,1,0|3,0,0]=4 240 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [0,0,0,0,1,0|2,0,0]=3 241 B10R1.15 NNC(=O)C1=CC=CC=N1 CDS000511 [0,0,0,0,1,0|3,0,0]=4 242 B10R1.15 O=C(CBr)C1=NC=CC=C1 CDS017722 [0,0,0,0,1,0|3,0,0]=4 243 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [0,0,0,0,1,0|2,0,0]=3 244 B10R1.15 [Li]OS(=O)C1=CC=CC=C1 S301140 [0,0,0,0,1,0|2,0,0]=3 245 B10R1.27 COC(=O)NC1=NC=CS1 T324566 [0,0,0,0,1,0|3,0,0]=4 246 B10R1.27 NNC(=O)CC1=CSC=C1 CDS014395 [0,0,0,0,1,0|3,0,0]=4 247 B12R1.27 CCC(=O)/C=C/C1=CC=CC=C1 PH002923 [0,0,0,0,0,1|1,0,1]=3 248 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [0,0,0,0,0,1|1,0,0]=2 249 B12R1.27 CCC(=O)NNC1=CC=CC=C1 S557188 [0,0,0,0,0,1|2,0,0]=3 250 B12R1.27 CCC(=O)O[Hg]C1=CC=CC=C1 S522473 [0,0,0,0,0,1|2,0,0]=3 251 B12R1.27 CNC(=O)OCC1=CN=CC=C1 PH009398 [0,0,0,0,0,1|2,0,0]=3 252 B12R1.27 CNC(=S)NCC1=CC=CC=C1 R278815 [0,0,0,0,0,1|1,1,0]=3 253 B12R1.27 CNC(=S)NNC1=CC=CC=C1 S512400 [0,0,0,0,0,1|2,1,0]=4 254 B12R1.27 COC(=O)C=CC1=CC=NC=C1 S409413 [0,0,0,0,0,1|1,0,1]=3 255 B12R1.27 COC(=O)NCC1=CC=CC=C1 S594148 [0,0,0,0,0,1|0,0,0]=1 256 B12R1.27 CSC(=S)OCC1=CC=CC=C1 S863475 [0,0,0,0,0,1|0,2,0]=3 257 B12R1.27 N/C(=N\O)/COC1=CC=CC=C1 PH012682 [0,0,0,0,0,1|3,0,0]=4 258 B12R1.27 NCC(=O)OCC1=CC=CC=C1 S678368 [0,0,0,0,0,1|2,0,0]=3 259 B12R1.27 NNC(=O)CCC1=CC=CC=C1 PH010195 [0,0,0,0,0,1|2,0,0]=3 260 B12R1.27 NNC(=O)COC1=CC=CC=C1 OTV000051 [0,0,0,0,0,1|2,0,0]=3 261 B12R1.27 NNC(=S)NCC1=CC=CC=C1 S539333 [0,0,0,0,0,1|2,1,0]=4 262 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 CBR01981 [0,0,0,0,0,1|2,0,0]=3 263 B12R1.27 O=C(CBr)NCC1=NC=CC=C1 PH015342 [0,0,0,0,0,1|3,0,0]=4 264 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 PH016229 [0,0,0,0,0,1|2,0,0]=3 265 B9R0.46 C/C=C/C/C=C/C(=O)OC S765929 [1,0,1,0,0,0|0,0,2]=4 266 B9R0.2 C/C=C/C=C/C=C/C(=O)O S439819 [1,0,1,0,0,0|0,0,2]=4 267 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [2,0,0,0,0,0|1,0,1]=4 268 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [2,0,0,0,0,0|2,0,0]=4 269 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [2,0,0,0,0,0|1,0,1]=4 270 B9R1.8 CCCC1=CC=NC=C1 S573086 [2,0,0,0,0,0|1,0,1]=4 271 B9R1.8 CNNC1=CC=CC=C1 PH012261 [2,0,0,0,0,0|2,0,0]=4 272 B9R1.8 COCC1=CC=CC=N1 S363146 [2,0,0,0,0,0|1,0,0]=3 273 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [2,0,0,0,0,0|2,0,0]=4 274 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [2,0,0,0,0,0|2,0,0]=4 275 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [2,0,0,0,0,0|1,0,0]=3 276 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [2,0,0,0,0,0|1,0,1]=4 277 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [2,0,0,0,0,0|1,0,1]=4 278 B11R1.1 CCCCC1=CC=C(C=C1)Cl TMT00677 [1,1,0,0,0,0|1,0,1]=4 279 B11R1.1 CCCCC1=CC=C(C=C1)O CDS001507 [1,1,0,0,0,0|1,0,1]=4 280 B11R1.1 CCNCC1=CC=C(C=C1)Cl PH011023 [1,1,0,0,0,0|2,0,0]=4 281 B11R1.16 CC(/C=N/O)C1=CC=CC=C1 S619094 [1,1,0,0,0,0|2,0,0]=4 282 B11R1.16 CCCC(C)C1=CC=CC=C1 S570958 [1,1,0,0,0,0|1,0,1]=4 283 B11R1.16 CCCC(N)C1=CC=CC=C1 CBR00785 [1,1,0,0,0,0|1,0,1]=4 284 B11R1.16 CNCC(C)C1=CC=CC=C1 CDS011312 [1,1,0,0,0,0|1,0,1]=4 285 B11R1.16 CNCC(O)C1=CC=CC=C1 R158259 [1,1,0,0,0,0|1,0,1]=4 286 B11R1.16 CNCC(O)C1=CC=CC=C1 S321761 [1,1,0,0,0,0|1,0,1]=4 287 B11R1.16 COCC(N)C1=NC=CC=C1 CBR02363 [1,1,0,0,0,0|1,0,1]=4 288 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 CDS006581 [1,1,0,0,0,0|0,0,1]=3 289 B11R1.17 C/C=C/CC1=CC=CC=C1O PH015920 [1,1,0,0,0,0|1,0,0]=3 290 B11R1.17 CCCCC1=C(C=CC=C1)N CDS000462 [1,1,0,0,0,0|1,0,1]=4 291 B11R1.17 COCCC1=CC=CC=C1Br S809608 [1,1,0,0,0,0|0,0,1]=3 292 B11R1.17 COCOC1=CC=CC=C1Br CBR01868 [1,1,0,0,0,0|1,0,1]=4 293 B11R1.24 COCCC1=CC=CC(=N1)C S369543 [1,1,0,0,0,0|1,0,1]=4 294 B11R1.28 C/C=C/COC1=CC=CC=C1 S767832 [1,1,0,0,0,0|1,0,0]=3 295 B11R1.28 C/C=C/CSC1=CC=CC=C1 S746207 [1,1,0,0,0,0|1,0,0]=3 296 B11R1.28 CC#CCOC1=CC=CC=C1 PH009632 [1,1,0,0,0,0|1,0,1]=4 297 B11R1.28 CCC/C=C/C1=CC=CC=C1 S579645 [1,1,0,0,0,0|1,0,1]=4 298 B11R1.28 CCO/C=C/C1=CC=CC=C1 S722103 [1,1,0,0,0,0|0,0,1]=3 299 B11R1.28 CCOCCC1=CC=CC=N1 S361402 [1,1,0,0,0,0|1,0,1]=4 300 B11R1.28 CCOCCC1=CC=NC=C1 S368741 [1,1,0,0,0,0|1,0,1]=4 301 B11R1.28 CNCCCC1=CC=CC=C1 CDS006632 [1,1,0,0,0,0|1,0,1]=4 302 B11R1.28 COCCOC1=CC=CC=C1 S793000 [1,1,0,0,0,0|0,0,1]=3 303 B11R1.28 COCCSC1=CC=CC=C1 TMT00668 [1,1,0,0,0,0|0,0,1]=3 304 B11R1.28 CSCCOC1=CC=CC=C1 S697990 [1,1,0,0,0,0|0,1,1]=4 305 B11R1.28 Cl/C=C/CSC1=CC=CC=C1 S722243 [1,1,0,0,0,0|2,0,0]=4 306 B11R1.28 ClCCNCC1=CC=CC=C1 S377872 [1,1,0,0,0,0|2,0,0]=4 307 B11R1.28 NOCCOC1=CC=CC=C1 CDS015326 [1,1,0,0,0,0|1,0,1]=4 308 B11R1.28 O/N=C/CCC1=CC=CC=C1 PH009095 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.91 CC(C)NCC1=CC=CC=C1 S633151 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.91 CC(C)NCC1=CC=CC=C1 S696668 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.91 CC(C)OCC1=CC=CC=C1 T332682 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [1,1,0,0,0,0|1,0,1]=4 313 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 R428108 [1,1,0,0,0,0|2,0,0]=4 314 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 S361119 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [1,1,0,0,0,0|1,0,1]=4 316 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [1,1,0,0,0,0|1,0,0]=3 317 B11R1.20 CC(=CC1=CC=C(C=C1)Cl)C S428086 [1,1,0,0,0,0|1,0,1]=4 318 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [1,1,0,0,0,0|0,0,0]=2 319 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [1,1,0,0,0,0|0,0,0]=2 320 B11R1.20 CC(=O)CC1=CC=C(C=N1)C CBR01484 [1,1,0,0,0,0|1,0,0]=3 321 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [1,1,0,0,0,0|1,0,0]=3 322 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [1,1,0,0,0,0|1,0,0]=3 323 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [1,1,0,0,0,0|1,0,0]=3 324 B11R1.20 CC(=O)NC1=CC=C(C=N1)F CDS020931 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.20 CC(=O)NC1=NC=C(C=C1)C S803375 [1,1,0,0,0,0|2,0,0]=4 326 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [1,1,0,0,0,0|1,0,0]=3 327 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [1,1,0,0,0,0|1,0,0]=3 328 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [1,1,0,0,0,0|1,0,0]=3 329 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.20 CC1=CC=C(C=N1)CC(=O)O CDS019833 [1,1,0,0,0,0|1,0,0]=3 331 B11R1.20 CC1=CC=[N+](C=C1)CC(=O)N S242551 [1,1,0,0,0,0|2,0,0]=4 332 B11R1.20 CN(C)CC1=CC=C(C=C1)Br PH012027 [1,1,0,0,0,0|2,0,0]=4 333 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [1,1,0,0,0,0|1,0,0]=3 334 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [1,1,0,0,0,0|2,0,0]=4 335 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [1,1,0,0,0,0|2,0,0]=4 336 B11R1.20 NC(=S)CC1=CC=C(C=C1)Cl PH011776 [1,1,0,0,0,0|1,1,0]=4 337 B11R1.20 NC1=CC=C(C=C1)CC(=S)O R466522 [1,1,0,0,0,0|0,1,0]=3 338 B11R1.20 O=C(Br)NC1=CC=C(C=C1)Br S280003 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.20 O=C(Cl)SC1=CC=C(C=C1)Cl S592773 [1,1,0,0,0,0|2,0,0]=4 340 B11R1.20 O=C(O)CC1=CC=C(N=C1)Cl CDS003355 [1,1,0,0,0,0|1,0,0]=3 341 B11R1.36 C(C)(N)[C@@H](C)C1=CC=CC=C1 S327697 [1,1,0,0,0,0|1,0,1]=4 342 B11R1.36 C(C)(N)[C@H](C)C1=CC=CC=C1 S316911 [1,1,0,0,0,0|1,0,1]=4 343 B11R1.36 C/C(=C(\C)/C1=CC=CC=C1)/Br S877883 [1,1,0,0,0,0|1,0,1]=4 344 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [1,1,0,0,0,0|0,0,0]=2 345 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [1,1,0,0,0,0|1,0,0]=3 346 B11R1.36 CC(=O)N(C)C1=CC=CN=C1 T309508 [1,1,0,0,0,0|2,0,0]=4 347 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [1,1,0,0,0,0|1,0,0]=3 348 B11R1.36 CC(C)C(C)C1=CC=CC=C1 S316091 [1,1,0,0,0,0|1,0,1]=4 349 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CDS015841 [1,1,0,0,0,0|1,0,1]=4 350 B11R1.36 CC(C1=CC=CC=C1)N(C)C CDS001551 [1,1,0,0,0,0|2,0,0]=4 351 B11R1.36 CC(O)C(C)C1=CC=CC=C1 R157589 [1,1,0,0,0,0|0,0,2]=4 352 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313424 [1,1,0,0,0,0|0,0,2]=4 353 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313432 [1,1,0,0,0,0|0,0,2]=4 354 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S485527 [1,1,0,0,0,0|0,0,2]=4 355 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494054 [1,1,0,0,0,0|0,0,2]=4 356 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494062 [1,1,0,0,0,0|0,0,2]=4 357 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 CBR01201 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [1,1,0,0,0,0|1,0,0]=3 359 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [1,1,0,0,0,0|0,0,0]=2 360 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [1,1,0,0,0,0|0,0,0]=2 361 B11R1.36 O=P(O)C(O)C1=CC=CC=C1 S576263 [1,1,0,0,0,0|1,0,0]=3 362 B11R1.36 P(=O)([O-])C(O)C1=CC=CC=C1 S359920 [1,1,0,0,0,0|1,0,1]=4 363 B11R1.36 [C@@H](C)(O)[C@@H](C)C1=CC=CC=C1 L157201 [1,1,0,0,0,0|0,0,2]=4 364 B11R1.86 CC(=O)CC1=C(C=CC=N1)C CBR00268 [1,1,0,0,0,0|1,0,0]=3 365 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [1,1,0,0,0,0|0,0,0]=2 366 B11R1.86 CC(=O)CC1=CC=CC=[N+]1C R433691 [1,1,0,0,0,0|1,0,0]=3 367 B11R1.86 CC(=O)C[N+]1=C(C=CC=C1)C OTV000875 [1,1,0,0,0,0|1,0,0]=3 368 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [1,1,0,0,0,0|1,0,0]=3 369 B11R1.86 CC(=O)NC1=C(C=CN=C1)O ADE000679 [1,1,0,0,0,0|2,0,0]=4 370 B11R1.86 CC(=O)NC1=C(C=NC=C1)O ADE000677 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.86 CC(=O)NC1=CC=CN=C1O ADE000688 [1,1,0,0,0,0|2,0,0]=4 372 B11R1.86 CC(=O)NC1=NC=CC=C1Cl T300071 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.86 CC(=O)NC1=NC=CC=C1O ADE000678 [1,1,0,0,0,0|2,0,0]=4 374 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [1,1,0,0,0,0|1,0,0]=3 375 B11R1.86 CC(=O)ON1C=CC=CC1=O T301086 [1,1,0,0,0,0|2,0,0]=4 376 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [1,1,0,0,0,0|1,0,0]=3 377 B11R1.86 CC1=C(C=CC=C1)CN(C)C T333018 [1,1,0,0,0,0|2,0,0]=4 378 B11R1.86 CC1=CC=CC=C1NC(=O)N S435643 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.86 CN(C)CC1=CC=CC=C1O CDS000342 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.86 CN(N)CC1=CC=CC=C1Cl PH001191 [1,1,0,0,0,0|2,0,0]=4 381 B11R1.86 N=C(N)CC1=C(C=CC=C1)Cl PH015478 [1,1,0,0,0,0|2,0,0]=4 382 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [1,1,0,0,0,0|1,0,0]=3 383 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [1,1,0,0,0,0|1,0,0]=3 384 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [1,1,0,0,0,0|1,0,0]=3 385 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [1,1,0,0,0,0|1,0,0]=3 386 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br PH011364 [1,1,0,0,0,0|2,0,0]=4 387 B11R1.86 NC(=O)NC1=CC=CC=C1Cl PH009853 [1,1,0,0,0,0|2,0,0]=4 388 B11R1.86 NC(=O)NC1=CC=CC=C1F S730572 [1,1,0,0,0,0|2,0,0]=4 389 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [1,1,0,0,0,0|2,0,0]=4 390 B11R1.86 NC1=C(C=CC=C1)CC(=O)O CDS003084 [1,1,0,0,0,0|0,0,0]=2 391 B11R1.86 O=C(O)CN1C=CC=CC1=O CDS010316 [1,1,0,0,0,0|1,0,0]=3 392 B11R1.86 O=C(O)CN1C=CC=NC1=O CBR00231 [1,1,0,0,0,0|2,0,0]=4 393 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [1,1,0,0,0,0|0,0,0]=2 394 B11R1.157 CC(=O)CC1=CC=CC(=N1)C CBR00392 [1,1,0,0,0,0|1,0,0]=3 395 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [1,1,0,0,0,0|1,0,0]=3 396 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [1,1,0,0,0,0|1,0,0]=3 397 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [1,1,0,0,0,0|1,0,0]=3 398 B11R1.157 CC(=O)NC1=CC(=CC=N1)C ADE001301 [1,1,0,0,0,0|2,0,0]=4 399 B11R1.157 CC(=O)NC1=NC(=CC=C1)C S803367 [1,1,0,0,0,0|2,0,0]=4 400 B11R1.157 CC(N)CC1=CC=CC(=C1)Br CDS022739 [1,1,0,0,0,0|1,0,1]=4 401 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [1,1,0,0,0,0|2,0,0]=4 402 B11R1.157 CN(N)CC1=CC=CC(=C1)Cl PH007608 [1,1,0,0,0,0|2,0,0]=4 403 B11R1.157 NC(=O)C[N+]1=CC=CC(=C1)F S914169 [1,1,0,0,0,0|2,0,0]=4 404 B11R1.157 NC(=O)NC1=CC(=CC=C1)I PH010485 [1,1,0,0,0,0|2,0,0]=4 405 B11R1.157 NC(=O)NC1=CC=CC(=C1)Cl S576476 [1,1,0,0,0,0|2,0,0]=4 406 B11R1.157 O=C([O-])CC1=CC(=CC=C1)Br S235490 [1,1,0,0,0,0|0,0,1]=3 407 B11R1.157 O=C([O-])C[N+]1=CC=CC(=C1)O PH007028 [1,1,0,0,0,0|1,0,1]=4 408 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PH011646 [1,1,0,0,0,0|1,0,0]=3 409 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 R284572 [1,1,0,0,0,0|2,0,0]=4 410 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 S342041 [1,1,0,0,0,0|2,0,0]=4 411 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 S342068 [1,1,0,0,0,0|2,0,0]=4 412 B11R1.509 C[N+](C)(N)CC1=CC=CC=C1 S761869 [1,1,0,0,0,0|2,0,0]=4 413 B11R1.509 C[N+](C)([O-])CC1=CC=CC=C1 S428078 [1,1,0,0,0,0|1,0,1]=4 414 B11R1.509 O=P(O)(O)OC1=CC=CC=C1 CDS010546 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.509 O=S(=O)([O-])CC1=CC=CC=C1 S808962 [1,1,0,0,0,0|1,0,1]=4 416 B11R1.7 CNS(=O)(=O)C1=CC=CC=C1 PH010973 [0,1,0,0,1,0|2,0,0]=4 417 B11R1.7 COC(C)(C)C1=CC=CC=C1 S713104 [0,1,0,0,1,0|1,0,1]=4 418 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 S544795 [0,1,0,0,1,0|1,0,0]=3 419 B11R1.12 CC/C(=N/O)/C1=CC=CC=C1 S799947 [0,1,0,0,1,0|1,0,1]=4 420 B11R1.12 CC/C(=N\O)/C1=CC=CC=C1 PH011544 [0,1,0,0,1,0|1,0,1]=4 421 B11R1.22 CC1=CC=C(C=C1)C(=O)C#N S34623 [0,1,0,0,1,0|2,0,0]=4 422 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PH006875 [0,1,0,0,1,0|1,0,0]=3 423 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br CDS003953 [0,1,0,0,1,0|1,0,0]=3 424 B11R1.22 CNC(=O)C1=CC=C(C=C1)C R580023 [0,1,0,0,1,0|1,0,0]=3 425 B11R1.22 CNC(=O)C1=CC=C(C=C1)F PH011769 [0,1,0,0,1,0|1,0,0]=3 426 B11R1.22 CNC(=O)C1=CC=C(C=C1)N CDS005578 [0,1,0,0,1,0|1,0,0]=3 427 B11R1.22 CNC(=O)C1=CC=C(C=N1)Br CDS007754 [0,1,0,0,1,0|2,0,0]=4 428 B11R1.22 CNC(=O)C1=CNC(=O)C=C1 EME00410 [0,1,0,0,1,0|2,0,0]=4 429 B11R1.22 COC(=O)C1=CC=C(C=N1)Br CDS003613 [0,1,0,0,1,0|1,0,0]=3 430 B11R1.22 COC(=O)C1=CC=C(C=N1)O CDS005288 [0,1,0,0,1,0|1,0,0]=3 431 B11R1.22 COC(=O)C1=CC=C(N=C1)Br CDS004061 [0,1,0,0,1,0|1,0,0]=3 432 B11R1.22 COC(=O)C1=CC=[N+](C=C1)[O-] S311014 [0,1,0,0,1,0|1,0,0]=3 433 B11R1.22 COC(=O)C1=CN=C(N=C1)N ANV00033 [0,1,0,0,1,0|2,0,0]=4 434 B11R1.22 COC(=O)C1=NC=C(C=N1)C PHB00068 [0,1,0,0,1,0|2,0,0]=4 435 B11R1.22 N#CC(=O)C1=CC=C(C=C1)Br S148997 [0,1,0,0,1,0|2,0,0]=4 436 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [0,1,0,0,1,0|2,0,0]=4 437 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [0,1,0,0,1,0|2,0,0]=4 438 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [0,1,0,0,1,0|2,0,0]=4 439 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br S852406 [0,1,0,0,1,0|2,0,0]=4 440 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [0,1,0,0,1,0|2,0,0]=4 441 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PH011383 [0,1,0,0,1,0|2,0,0]=4 442 B11R1.23 CCC(=O)C1=CC=CC(=C1)C PH014761 [0,1,0,0,1,0|1,0,0]=3 443 B11R1.23 CCC(=O)C1=CC=CC(=C1)N PH011160 [0,1,0,0,1,0|1,0,0]=3 444 B11R1.23 CCC(=O)C1=CC=CC(=C1)O PH010905 [0,1,0,0,1,0|1,0,0]=3 445 B11R1.23 CNC(=O)C1=CC(=CC=C1)N CDS003178 [0,1,0,0,1,0|1,0,0]=3 446 B11R1.23 CNC(=O)C1=CC(=CC=C1)O EME00408 [0,1,0,0,1,0|1,0,0]=3 447 B11R1.23 CNC(=O)C1=CC(=CC=N1)Cl CDS004290 [0,1,0,0,1,0|2,0,0]=4 448 B11R1.23 CNC(=O)C1=CC(=NC=C1)Cl CBR00287 [0,1,0,0,1,0|2,0,0]=4 449 B11R1.23 CNC(=O)C1=CC=CC(=C1)C PH007559 [0,1,0,0,1,0|1,0,0]=3 450 B11R1.23 CNC(=O)C1=CC=CC(=C1)Cl PH011022 [0,1,0,0,1,0|1,0,0]=3 451 B11R1.23 COC(=O)C1=CC(=CC=N1)Br CDS014039 [0,1,0,0,1,0|1,0,0]=3 452 B11R1.23 COC(=O)C1=CC(=CC=N1)N CDS021624 [0,1,0,0,1,0|1,0,0]=3 453 B11R1.23 COC(=O)C1=CC(=NC=C1)I ADE000319 [0,1,0,0,1,0|1,0,0]=3 454 B11R1.23 COC(=O)C1=CC=CC(=C1)F CDS020886 [0,1,0,0,1,0|0,0,0]=2 455 B11R1.23 COC(=O)C1=CC=CC(=N1)N CDS005987 [0,1,0,0,1,0|1,0,0]=3 456 B11R1.23 COC(=O)C1=CN=CC(=C1)C PH016250 [0,1,0,0,1,0|1,0,0]=3 457 B11R1.23 COC(=O)C1=CN=CC(=C1)F CDS020854 [0,1,0,0,1,0|1,0,0]=3 458 B11R1.23 COC(=O)C1=C[N+](=CC=C1)C S385360 [0,1,0,0,1,0|1,0,0]=3 459 B11R1.23 COC(=O)C1=NC(=CC=C1)I ADE000338 [0,1,0,0,1,0|1,0,0]=3 460 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl ADE000255 [0,1,0,0,1,0|1,0,0]=3 461 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl ADE000348 [0,1,0,0,1,0|1,0,0]=3 462 B11R1.23 COC(=O)[N+]1=CC(=CC=C1)C R434086 [0,1,0,0,1,0|1,0,0]=3 463 B11R1.23 NNC(=O)C1=CC=CC(=C1)Cl PH009753 [0,1,0,0,1,0|2,0,0]=4 464 B11R1.23 O=C(NO)C1=CC(=CC=C1)Cl PH010173 [0,1,0,0,1,0|2,0,0]=4 465 B11R1.222 CC1=C(C=CC=C1)C(=O)NN R435198 [0,1,0,0,1,0|2,0,0]=4 466 B11R1.222 CC1=C(C=CC=C1)C(=O)NN S618985 [0,1,0,0,1,0|2,0,0]=4 467 B11R1.222 CNC(=O)C1=C(C=CC=C1)N PH000108 [0,1,0,0,1,0|1,0,0]=3 468 B11R1.222 CNC(=O)C1=CC=CC=C1C PH005184 [0,1,0,0,1,0|1,0,0]=3 469 B11R1.222 CNC(=O)C1=CC=CC=C1S S662097 [0,1,0,0,1,0|1,0,0]=3 470 B11R1.222 CNC(=O)C1=CC=CN=C1Cl VBP00050 [0,1,0,0,1,0|2,0,0]=4 471 B11R1.222 CNC(=S)C1=C(C=CC=C1)N PH001535 [0,1,0,0,1,0|1,1,0]=4 472 B11R1.222 COC(=O)C1=C(C=NC=C1)O KOB0086 [0,1,0,0,1,0|1,0,0]=3 473 B11R1.222 COC(=O)C1=C(C=NN=C1)C PHB00238 [0,1,0,0,1,0|2,0,0]=4 474 B11R1.222 COC(=O)C1=CC=NC=C1N ANV00027 [0,1,0,0,1,0|1,0,0]=3 475 B11R1.222 COC(=O)C1=CN=CC=C1N PHB00050 [0,1,0,0,1,0|1,0,0]=3 476 B11R1.222 COC(=O)C1=NC=CC=C1O CDS005462 [0,1,0,0,1,0|1,0,0]=3 477 B11R1.222 N#CC(=O)C1=C(C=CC=C1)Cl R996521 [0,1,0,0,1,0|2,0,0]=4 478 B11R1.222 N#CC(=O)C1=C(C=CC=C1)F CDS020956 [0,1,0,0,1,0|2,0,0]=4 479 B11R1.222 N#CC(=O)C1=CC=CC=C1I S944971 [0,1,0,0,1,0|2,0,0]=4 480 B11R1.222 NC1=C(C=CC=C1)C(=O)NO PH006839 [0,1,0,0,1,0|2,0,0]=4 481 B11R1.222 NNC(=O)C1=CC=CC=C1Br S945048 [0,1,0,0,1,0|2,0,0]=4 482 B11R1.222 NNC(=O)C1=CC=CC=C1I S550361 [0,1,0,0,1,0|2,0,0]=4 483 B11R1.30 CCOC(=O)CN1C=CC=N1 S945447 [0,1,0,0,1,0|2,0,0]=4 484 B11R1.39 COC(=O)CN1C=C(C=N1)N CDS021209 [0,1,0,0,1,0|2,0,0]=4 485 B13R1.11 CC(NC(=O)CCl)C1=CC=CC=C1 PH010030 [0,1,0,0,0,1|2,0,0]=4 486 B13R1.11 CC(NC(=O)CI)C1=CC=CC=C1 L318957 [0,1,0,0,0,1|2,0,0]=4 487 B13R1.11 CNC(=O)/C=C(\C)/C1=CC=CC=C1 PH006947 [0,1,0,0,0,1|1,0,1]=4 488 B13R1.11 CNC(=O)CC(O)C1=CC=CC=C1 R127094 [0,1,0,0,0,1|1,0,0]=3 489 B13R1.11 COC(=O)/C=C(/C)\C1=CC=CC=C1 S882089 [0,1,0,0,0,1|0,0,1]=3 490 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 OTV000182 [0,1,0,0,0,1|0,0,0]=2 491 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 CDS021823 [0,1,0,0,0,1|0,0,0]=2 492 B13R1.11 C[C@H](NC(=O)NN)C1=CC=CC=C1 T186848 [0,1,0,0,0,1|2,0,0]=4 493 B13R1.11 NNC(=O)CC(O)C1=CC=CC=C1 PH008854 [0,1,0,0,0,1|2,0,0]=4 494 B13R1.11 [C@H](C)(CC(=O)NN)C1=CC=CC=C1 T203815 [0,1,0,0,0,1|2,0,0]=4 495 B13R1.14 CC1=CC=C(C=C1)CNC(=O)CCl TMT00603 [0,1,0,0,0,1|2,0,0]=4 496 B13R1.14 CCC(=O)C=CC1=CC=C(C=C1)C S450049 [0,1,0,0,0,1|1,0,1]=4 497 B13R1.14 CNC(=O)/C=C/C1=CC=C(C=C1)Cl PH007011 [0,1,0,0,0,1|1,0,1]=4 498 B13R1.14 CNC(=O)OCC1=CC=C(C=C1)Cl PH009074 [0,1,0,0,0,1|1,0,0]=3 499 B13R1.14 CO/C(=N\NC1=CC=C(C=C1)Br)/Cl S282243 [0,1,0,0,0,1|2,0,0]=4 500 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)Br S931675 [0,1,0,0,0,1|0,0,1]=3 501 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)Cl S880671 [0,1,0,0,0,1|0,0,1]=3 502 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)O KOB0128 [0,1,0,0,0,1|0,0,1]=3 503 B13R1.14 COC(=O)COC1=CC=C(C=C1)Br EME00079 [0,1,0,0,0,1|0,0,0]=2 504 B13R1.14 COC(=O)COC1=CC=C(C=C1)Cl PH009782 [0,1,0,0,0,1|0,0,0]=2 505 B13R1.14 COC(=O)COC1=CC=C(C=C1)N CDS020172 [0,1,0,0,0,1|0,0,0]=2 506 B13R1.14 COC(=O)CSC1=CC=C(C=C1)Cl S620173 [0,1,0,0,0,1|0,0,0]=2 507 B13R1.14 NNC(=O)COC1=CC=C(C=C1)Cl JRD0868 [0,1,0,0,0,1|2,0,0]=4 508 B13R1.14 O=C(CCl)NCC1=CC=C(C=C1)Cl TMT00613 [0,1,0,0,0,1|2,0,0]=4 509 B13R1.14 O=C(CCl)OCC1=CC=C(C=C1)Cl S34968 [0,1,0,0,0,1|2,0,0]=4 510 B13R1.14 O=C(COC1=CC=C(C=C1)Cl)NO PH010540 [0,1,0,0,0,1|2,0,0]=4 511 B13R1.15 CNC(=O)COC1=CC(=CC=C1)Br EME00143 [0,1,0,0,0,1|1,0,0]=3 512 B13R1.15 COC(=O)/C=C/C1=CC(=CC=C1)C EME00166 [0,1,0,0,0,1|0,0,1]=3 513 B13R1.42 C=C(CCO)CSC1=CC=CC=C1 T232815 [0,1,0,0,0,1|2,0,0]=4 514 B13R1.42 CC=CC(=O)NCC1=CC=CC=C1 S527947 [0,1,0,0,0,1|1,0,0]=3 515 B13R1.42 CCCC(=O)NCC1=CC=CC=C1 R343269 [0,1,0,0,0,1|1,0,0]=3 516 B13R1.42 CCCC(=O)NNC1=CC=CC=C1 PH007173 [0,1,0,0,0,1|2,0,0]=4 517 B13R1.42 CCNC(=O)NNC1=CC=CC=C1 PH007136 [0,1,0,0,0,1|2,0,0]=4 518 B13R1.42 CCOC(=O)CCC1=NC=CC=C1 PH003746 [0,1,0,0,0,1|1,0,0]=3 519 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 CDS003195 [0,1,0,0,0,1|0,0,0]=2 520 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 PH005137 [0,1,0,0,0,1|0,0,0]=2 521 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 PH011548 [0,1,0,0,0,1|0,0,0]=2 522 B13R1.42 CCOC(=O)NNC1=CC=CC=C1 S512680 [0,1,0,0,0,1|1,0,0]=3 523 B13R1.42 CNNC(=O)COC1=CC=CC=C1 T151408 [0,1,0,0,0,1|1,0,0]=3 524 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 CDS021500 [0,1,0,0,0,1|1,0,1]=4 525 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 S358282 [0,1,0,0,0,1|1,0,0]=3 526 B13R1.42 O=C(CCO)NNC1=CC=CC=C1 PH007197 [0,1,0,0,0,1|2,0,0]=4 527 B13R1.135 COC(=O)C(C)OC1=CC=CC=C1 JRD1262 [0,1,0,0,0,1|0,0,0]=2 528 B13R1.135 COC(=O)C(C)SC1=CC=CC=C1 S620203 [0,1,0,0,0,1|0,0,0]=2 529 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 PH011323 [0,1,0,0,0,1|0,0,0]=2 530 B13R1.135 COC(=O)C(N)CC1=NC=CC=C1 PH019122 [0,1,0,0,0,1|1,0,0]=3 531 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 PH000793 [0,1,0,0,0,1|0,0,0]=2 532 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 PH009923 [0,1,0,0,0,1|0,0,0]=2 533 B13R1.135 COC(=O)[C@H](N)CC1=CC=CN=C1 CDS006818 [0,1,0,0,0,1|1,0,0]=3 534 B13R1.351 C=C(C)C(=O)NCC1=CC=CC=C1 S529591 [0,1,0,0,0,1|1,0,0]=3 535 B13R1.351 CC(=O)C(=O)OCC1=CC=CC=C1 PH009541 [0,1,0,0,0,1|1,0,0]=3 536 B13R1.351 CC(Br)C(=O)OCC1=CC=CC=C1 PH008809 [0,1,0,0,0,1|1,0,0]=3 537 B13R1.351 CC(C)C(=O)/C=C/C1=CC=CC=C1 R252786 [0,1,0,0,0,1|1,0,1]=4 538 B13R1.351 CC(C)C(=O)CCC1=CC=CC=C1 PH000319 [0,1,0,0,0,1|1,0,0]=3 539 B13R1.351 CC(C)C(=O)NCC1=CC=CC=C1 R343803 [0,1,0,0,0,1|1,0,0]=3 540 B13R1.351 CC(C)C(=O)NCC1=CC=CN=C1 T321559 [0,1,0,0,0,1|2,0,0]=4 541 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 S240338 [0,1,0,0,0,1|1,0,0]=3 542 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 S949906 [0,1,0,0,0,1|1,0,0]=3 543 B13R1.351 CC(O)C(=O)O[Hg]C1=CC=CC=C1 S354589 [0,1,0,0,0,1|2,0,0]=4 544 B13R1.351 CN(C)C(=O)/C=C/C1=CC=CC=C1 PH006876 [0,1,0,0,0,1|1,0,1]=4 545 B13R1.351 CN(C)C(=S)NCC1=CC=CC=C1 S542717 [0,1,0,0,0,1|1,1,0]=4 546 B13R1.351 O=C(NCC1=CC=CC=C1)C(Cl)Cl PH007159 [0,1,0,0,0,1|2,0,0]=4 547 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 CDS007841 [0,1,0,0,0,1|2,0,0]=4 548 B13R1.417 COC(CSC1=CC=CC=C1)OC T216658 [0,1,0,0,0,1|0,0,2]=4 549 B13R1.528 CC1=CC=CC=C1OCC(=O)NN R396877 [0,1,0,0,0,1|2,0,0]=4 550 B13R1.528 CCC(=O)/C=C/C1=CC=CC=C1O L255661 [0,1,0,0,0,1|1,0,1]=4 551 B13R1.528 CNC(=O)COC1=CC=CC=C1Br CDS005859 [0,1,0,0,0,1|1,0,0]=3 552 B13R1.528 COC(=O)/C=C/C1=C(C=CC=C1)O PH004658 [0,1,0,0,0,1|0,0,1]=3 553 B13R1.528 COC(=O)/C=C/C1=CC=CN=C1N ADE000758 [0,1,0,0,0,1|1,0,1]=4 554 B13R1.528 COC(=O)/C=C/C1=CN=CC=C1Cl ADE000815 [0,1,0,0,0,1|1,0,1]=4 555 B13R1.528 COC(=O)CCC1=C(C=CC=C1)O CDS015224 [0,1,0,0,0,1|0,0,0]=2 556 B13R1.528 O=C(CCl)NCC1=C(C=CC=C1)Cl TMT00609 [0,1,0,0,0,1|2,0,0]=4 557 B13R1.528 O=C(COC1=CC=CC=C1Cl)NO PH008683 [0,1,0,0,0,1|2,0,0]=4 558 B13R1.19 C/C=C/C(=O)NC1=CC=C(C=C1)Br S718157 [0,2,0,0,0,0|2,0,0]=4 559 B13R1.19 C/C=C/C(=O)NC1=CC=C(C=C1)C S659401 [0,2,0,0,0,0|2,0,0]=4 560 B13R1.19 CC1=CC=C(C=C1)NC(=O)CCO S652881 [0,2,0,0,0,0|2,0,0]=4 561 B13R1.19 CC1=CC=C(C=C1)NC(=O)CCS S363057 [0,2,0,0,0,0|2,0,0]=4 562 B13R1.19 CCCC(=O)CC1=CC=C(C=C1)Cl ASX00033 [0,2,0,0,0,0|1,0,0]=3 563 B13R1.19 CCCC(=O)NC1=CC=C(C=C1)C R343293 [0,2,0,0,0,0|2,0,0]=4 564 B13R1.19 CCCC(=O)NC1=CC=C(C=C1)N R703184 [0,2,0,0,0,0|2,0,0]=4 565 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)Br S628255 [0,2,0,0,0,0|2,0,0]=4 566 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)C S644285 [0,2,0,0,0,0|2,0,0]=4 567 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)Cl S279846 [0,2,0,0,0,0|2,0,0]=4 568 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)Cl S591521 [0,2,0,0,0,0|2,0,0]=4 569 B13R1.19 CCNC(=O)OC1=CC=C(C=C1)C S690589 [0,2,0,0,0,0|2,0,0]=4 570 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)Cl S668745 [0,2,0,0,0,0|0,0,0]=2 571 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)N PH009742 [0,2,0,0,0,0|0,0,0]=2 572 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)O PH011119 [0,2,0,0,0,0|0,0,0]=2 573 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)Br S666599 [0,2,0,0,0,0|1,0,0]=3 574 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)C S643963 [0,2,0,0,0,0|1,0,0]=3 575 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)Cl S361577 [0,2,0,0,0,0|1,0,0]=3 576 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)N CBR00185 [0,2,0,0,0,0|1,0,0]=3 577 B13R1.19 CCOC(=O)OC1=CC=C(C=C1)Cl PH008708 [0,2,0,0,0,0|1,0,0]=3 578 B13R1.19 CONC(=O)NC1=CC=C(C=C1)Cl PH008685 [0,2,0,0,0,0|1,0,0]=3 579 B13R1.19 O=C(CCCl)NC1=CC=C(C=C1)F S529540 [0,2,0,0,0,0|2,0,0]=4 580 B13R1.20 CCCC(=O)NC1=CC(=CC=C1)F S732389 [0,2,0,0,0,0|2,0,0]=4 581 B13R1.20 CCCC(=O)NC1=CC(=CC=C1)N R703192 [0,2,0,0,0,0|2,0,0]=4 582 B13R1.20 CCNC(=O)NC1=CC(=CC=C1)C S646628 [0,2,0,0,0,0|2,0,0]=4 583 B13R1.20 CCNC(=O)NC1=CC=CC(=C1)Br S711098 [0,2,0,0,0,0|2,0,0]=4 584 B13R1.20 CCNC(=O)NC1=CC=CC(=C1)Cl S623717 [0,2,0,0,0,0|2,0,0]=4 585 B13R1.20 CCOC(=O)CC1=CC=CC(=N1)N CDS021059 [0,2,0,0,0,0|1,0,0]=3 586 B13R1.20 CCOC(=O)NC1=CC(=CC=C1)Cl S361569 [0,2,0,0,0,0|1,0,0]=3 587 B13R1.20 CCOC(=O)NC1=CC=CC(=C1)N CBR02372 [0,2,0,0,0,0|1,0,0]=3 588 B13R1.20 CCOC(=O)OC1=CC=CC(=C1)C S590789 [0,2,0,0,0,0|1,0,0]=3 589 B13R1.44 C#CCOC(=O)NC1=CC=CC=C1 S370479 [0,2,0,0,0,0|1,0,0]=3 590 B13R1.44 C=CCNC(=O)NC1=CC=CC=C1 S591424 [0,2,0,0,0,0|2,0,0]=4 591 B13R1.44 C=CCOC(=O)NC1=CC=CC=C1 PH008700 [0,2,0,0,0,0|1,0,0]=3 592 B13R1.44 C=CCOC(=S)NC1=CC=CC=C1 PH007059 [0,2,0,0,0,0|1,1,0]=4 593 B13R1.44 CCCNC(=O)NC1=CC=CC=C1 S591378 [0,2,0,0,0,0|2,0,0]=4 594 B13R1.44 CCCSC(=O)NC1=CC=CC=C1 S643947 [0,2,0,0,0,0|1,1,0]=4 595 B13R1.44 CCONC(=O)NC1=CC=CC=C1 R270830 [0,2,0,0,0,0|1,0,0]=3 596 B13R1.44 O=C(CC1=CC=CC=C1)NCCO PH001912 [0,2,0,0,0,0|1,0,0]=3 597 B13R1.44 O=C(CCCCl)OC1=CC=CC=C1 S354538 [0,2,0,0,0,0|2,0,0]=4 598 B13R1.44 O=C(NC1=CC=CC=C1)OCCBr S711675 [0,2,0,0,0,0|1,0,0]=3 599 B13R1.44 O=C(NC1=CC=CC=C1)OCCCl S594172 [0,2,0,0,0,0|1,0,0]=3 600 B13R1.44 O=C(NCCCl)NC1=CC=CC=C1 R594377 [0,2,0,0,0,0|2,0,0]=4 601 B13R1.44 O=C(NCCO)NC1=CC=CC=C1 S556297 [0,2,0,0,0,0|2,0,0]=4 602 B13R1.47 CCOC(=N)C(Cl)C1=CC=CC=C1 S767735 [0,2,0,0,0,0|1,0,0]=3 603 B13R1.47 CCOC(=O)N(C)C1=CC=CC=C1 S353396 [0,2,0,0,0,0|1,0,0]=3 604 B13R1.47 CCOC(=O)N(O)C1=CC=CC=C1 S857505 [0,2,0,0,0,0|1,0,0]=3 605 B13R1.47 CN(C(=O)CCCl)C1=CC=CC=C1 PH010965 [0,2,0,0,0,0|2,0,0]=4 606 B13R1.348 CC(=CC(=O)NC1=CC=CC=C1)C PH007530 [0,2,0,0,0,0|2,0,0]=4 607 B13R1.348 CC(=O)NC(=O)NC1=CC=CC=C1 S340561 [0,2,0,0,0,0|2,0,0]=4 608 B13R1.348 CC(C)NC(=O)NC1=CC=CC=C1 S613193 [0,2,0,0,0,0|2,0,0]=4 609 B13R1.348 CC(C)OC(=O)NC1=CC=NC=C1 R425346 [0,2,0,0,0,0|2,0,0]=4 610 B13R1.348 CC(C)SC(=O)NC1=CC=CC=C1 S643939 [0,2,0,0,0,0|1,1,0]=4 611 B13R1.348 CC(Cl)OC(=O)SC1=CC=CC=C1 S898910 [0,2,0,0,0,0|1,0,0]=3 612 B13R1.348 CN(C)NC(=O)NC1=CC=CC=C1 S606286 [0,2,0,0,0,0|2,0,0]=4 613 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 T332364 [0,2,0,0,0,0|1,0,1]=4 614 B13R1.470 C/C=C/C(=O)NC1=C(C=CC=C1)F S795585 [0,2,0,0,0,0|2,0,0]=4 615 B13R1.470 CCCC(=O)CC1=CC=CC=C1F ASX00046 [0,2,0,0,0,0|1,0,0]=3 616 B13R1.470 CCNC(=O)CC1=CC=CC=C1Br CDS023697 [0,2,0,0,0,0|1,0,0]=3 617 B13R1.470 CCNC(=O)NC1=C(C=CC=C1)C S640336 [0,2,0,0,0,0|2,0,0]=4 618 B13R1.470 CCNC(=O)NC1=CC=CC=C1Cl S595683 [0,2,0,0,0,0|2,0,0]=4 619 B13R1.470 CCOC(=O)CC1=C(C=CC=C1)Br PH009974 [0,2,0,0,0,0|0,0,0]=2 620 B13R1.470 CCOC(=O)CN1N=CC=CC1=O PH007725 [0,2,0,0,0,0|2,0,0]=4 621 B13R1.470 CCOC(=O)NC1=C(C=CC=C1)C S644102 [0,2,0,0,0,0|1,0,0]=3 622 B13R1.470 CCOC(=O)NC1=C(C=CC=C1)Cl S595357 [0,2,0,0,0,0|1,0,0]=3 623 B13R1.1327 C(=C/S(=O)(=O)CC1=CC=CC=C1)\C T299219 [0,2,0,0,0,0|2,0,0]=4 624 B13R1.1327 CCO[Si](Cl)(Cl)CC1=CC=CC=C1 S584649 [0,2,0,0,0,0|1,1,0]=4 625 B13R1.1327 NCCS(=O)(=O)CC1=CC=CC=C1 T299170 [0,2,0,0,0,0|2,0,0]=4 626 B13R1.1327 O=S(=O)(CCCl)CC1=CC=CC=C1 S614416 [0,2,0,0,0,0|2,0,0]=4 627 B13R1.1327 O=S(=O)(CCO)CC1=CC=CC=C1 T299723 [0,2,0,0,0,0|2,0,0]=4 628 B13R1.21 COC(=O)C(Cl)C1=CC=C(C=C1)F PH014958 [0,2,0,0,0,0|0,0,0]=2 629 B13R1.22 COC(=O)C(N)C1=CC(=CC=C1)F CDS021188 [0,2,0,0,0,0|0,0,0]=2 630 B13R1.22 COC(=O)C(N)C1=CC=CC(=C1)C CBR00930 [0,2,0,0,0,0|0,0,0]=2 631 B13R1.22 COC(=O)N(O)C1=CC(=CC=C1)Cl S857858 [0,2,0,0,0,0|1,0,0]=3 632 B13R1.263 COS(=O)(=O)C(C)C1=CC=CC=C1 S486043 [0,2,0,0,0,0|1,0,0]=3 633 B13R1.532 CCC(=O)C(C#N)C1=CC=CC=C1 PH010239 [0,2,0,0,0,0|1,0,0]=3 634 B13R1.532 CCC(=O)C(CC)C1=CC=CC=C1 S354570 [0,2,0,0,0,0|1,0,0]=3 635 B13R1.532 COC(=O)C(OC)C1=CC=CC=C1 PH002076 [0,2,0,0,0,0|0,0,0]=2 636 B13R1.532 COC(=O)[C@@H](OC)C1=CC=CC=C1 PH001769 [0,2,0,0,0,0|0,0,0]=2 637 B13R1.696 COC(=O)C(O)C1=CC=CC=C1Cl PH009461 [0,2,0,0,0,0|0,0,0]=2 638 B13R1.696 COC(=O)[C@H](N)C1=C(C=CC=C1)Cl CDS021821 [0,2,0,0,0,0|0,0,0]=2 639 B13R1.708 COC(=O)C(C)(O)C1=CC=CC=C1 CDS020879 [0,2,0,0,0,0|0,0,0]=2 640 B13R1.708 COC(=O)C(C)(O)C1=CC=NC=C1 CDS021289 [0,2,0,0,0,0|1,0,0]=3 641 B13R1.133 CC(C)C(=O)OC1=CC=C(C=C1)Cl PH008585 [0,2,0,0,0,0|2,0,0]=4 642 B13R1.133 CC1=CC=C(C=C1)NC(=O)C(C)C R343773 [0,2,0,0,0,0|2,0,0]=4 643 B13R1.133 CC1=CC=C(C=C1)NC(=O)N(C)C S613215 [0,2,0,0,0,0|2,0,0]=4 644 B13R1.133 CC1=CC=C(C=C1)OC(=O)C(C)C S528501 [0,2,0,0,0,0|2,0,0]=4 645 B13R1.133 CN(C)C(=O)CC1=CC=C(C=C1)Br CBR00435 [0,2,0,0,0,0|1,0,0]=3 646 B13R1.133 CN(C)C(=O)CC1=CC=C(C=C1)O CDS020902 [0,2,0,0,0,0|1,0,0]=3 647 B13R1.133 CN(C)C(=O)NC1=CC=C(C=C1)Br S597708 [0,2,0,0,0,0|2,0,0]=4 648 B13R1.133 CN(C)C(=O)NC1=CC=C(C=C1)F S601640 [0,2,0,0,0,0|2,0,0]=4 649 B13R1.133 CN(C)C(=O)NC1=CC=C(C=C1)I S905356 [0,2,0,0,0,0|2,0,0]=4 650 B13R1.133 CN(C)C(=O)SC1=CC=C(C=C1)Cl PH007504 [0,2,0,0,0,0|2,0,0]=4 651 B13R1.148 CC1=CC=CC(=C1)NC(=O)N(C)C S604631 [0,2,0,0,0,0|2,0,0]=4 652 B13R1.148 CN(C)C(=O)CC1=CC(=CC=C1)Cl PH008587 [0,2,0,0,0,0|1,0,0]=3 653 B13R1.148 CN(C)C(=O)NC1=CC(=CC=C1)Cl S590371 [0,2,0,0,0,0|2,0,0]=4 654 B13R1.148 CN(C)C(=O)NC1=CC=CC(=C1)Br S717878 [0,2,0,0,0,0|2,0,0]=4 655 B13R1.202 CC1=C(C=CC=C1)NC(=O)N(C)C S606278 [0,2,0,0,0,0|2,0,0]=4 656 B13R1.353 CC(C)(C)C(=O)C[N+]1=CC=CC=C1 R434078 [0,2,0,0,0,0|2,0,0]=4 657 B13R1.418 CC/C(=C\C1=CC=CC=C1)/C(=O)O S808326 [0,2,0,0,0,0|1,0,1]=4 658 B13R1.418 CCC(CC1=CC=CC=C1)C(=O)N PH008852 [0,2,0,0,0,0|1,0,1]=4 659 B13R1.1073 CN(C)S(=O)(=O)CC1=CC=CC=C1 T299715 [0,2,0,0,0,0|2,0,0]=4 660 B13R1.5 C=CC1=CC=C(C=C1)CC(=O)OC PH008533 [0,2,0,0,0,0|0,0,0]=2 661 B13R1.5 CCC(=O)NC1=CC=C(C=C1)C#N EME00296 [0,2,0,0,0,0|2,0,0]=4 662 B13R1.5 CCC(=O)NC1=CC=C(C=C1)OC R131504 [0,2,0,0,0,0|2,0,0]=4 663 B13R1.5 CCC(=O)OC1=CC=C(C=C1)C=O PH015230 [0,2,0,0,0,0|2,0,0]=4 664 B13R1.5 CNC(=O)NC1=CC=C(C=C1)OC S623644 [0,2,0,0,0,0|2,0,0]=4 665 B13R1.5 CNC(=O)OC1=CC=C(C=C1)SC S791954 [0,2,0,0,0,0|2,0,0]=4 666 B13R1.5 COC(=O)NC1=CC=C(C=C1)OC S640476 [0,2,0,0,0,0|1,0,0]=3 667 B13R1.2679 CCC(=O)NC1=C(C=C(C=C1)C)C S890308 [0,2,0,0,0,0|2,0,0]=4 668 B13R1.2679 CCC(=O)NC1=C(C=C(C=C1)Cl)C S772763 [0,2,0,0,0,0|2,0,0]=4 669 B13R1.2679 CNC(=O)NC1=C(C=C(C=C1)C)C S606782 [0,2,0,0,0,0|2,0,0]=4 670 B13R1.2679 CNC(=O)NC1=CC=C(C=C1C)Cl S638129 [0,2,0,0,0,0|2,0,0]=4 671 B13R1.2679 CNC(=O)NC1=CC=C(C=C1Cl)Cl S613517 [0,2,0,0,0,0|2,0,0]=4 672 B13R1.2679 CNC(=O)OC1=CC=C(C=C1Br)Br S867209 [0,2,0,0,0,0|2,0,0]=4 673 B13R1.2679 CNC(=O)OC1=CC=C(C=C1Cl)Cl S724378 [0,2,0,0,0,0|2,0,0]=4 674 B13R1.2679 COC(=O)CC1=C(C=C(C=C1)F)Cl TMT00408 [0,2,0,0,0,0|0,0,0]=2 675 B13R1.2679 COC(=O)NC1=C(C=C(C=C1)C)C S606839 [0,2,0,0,0,0|1,0,0]=3 676 B13R1.2679 COC(=O)NC1=C(C=C(C=C1)Cl)C S625272 [0,2,0,0,0,0|1,0,0]=3 677 B13R1.2679 COC(=O)NC1=C(C=C(C=C1)Cl)Cl S612839 [0,2,0,0,0,0|1,0,0]=3 678 B13R1.2679 COC(=O)OC1=CC=C(C=C1Cl)F PH016916 [0,2,0,0,0,0|1,0,0]=3 679 B13R1.2879 CCC(=O)NC1=CC(=C(C=C1)C)Cl S790990 [0,2,0,0,0,0|2,0,0]=4 680 B13R1.2879 CNC(=O)NC1=CC(=C(C=C1)C)C S650862 [0,2,0,0,0,0|2,0,0]=4 681 B13R1.2879 CNC(=O)NC1=CC=C(C(=C1)Cl)C S646725 [0,2,0,0,0,0|2,0,0]=4 682 B13R1.2879 CNC(=O)NC1=CC=C(C(=C1)Cl)Cl S613053 [0,2,0,0,0,0|2,0,0]=4 683 B13R1.2879 CNC(=O)OC1=CC=C(C(=C1)C)Cl S891975 [0,2,0,0,0,0|2,0,0]=4 684 B13R1.2879 CNC(=O)OC1=CC=C(C(=C1)Cl)Cl S725323 [0,2,0,0,0,0|2,0,0]=4 685 B13R1.2879 COC(=O)CC1=CC(=C(C=C1)O)Cl PH003559 [0,2,0,0,0,0|0,0,0]=2 686 B13R1.2879 COC(=O)NC1=CC(=C(C=C1)C)C T168629 [0,2,0,0,0,0|1,0,0]=3 687 B13R1.2879 COC(=O)NC1=CC(=C(C=C1)C)Cl S625159 [0,2,0,0,0,0|1,0,0]=3 688 B13R1.2879 COC(=O)NC1=CC=C(C(=C1)Cl)Cl S606448 [0,2,0,0,0,0|1,0,0]=3 689 B13R1.40 CCC(=O)NC1=C(C(=CC=C1)Br)C R131431 [0,2,0,0,0,0|2,0,0]=4 690 B13R1.40 CCC(=O)NC1=C(C(=CC=C1)C)C S890294 [0,2,0,0,0,0|2,0,0]=4 691 B13R1.40 CCC(=O)NC1=C(C(=CC=C1)Cl)C S555355 [0,2,0,0,0,0|2,0,0]=4 692 B13R1.40 CNC(=O)NC1=C(C(=CC=C1)C)C S644021 [0,2,0,0,0,0|2,0,0]=4 693 B13R1.40 CNC(=O)NC1=CC=CC(=C1Cl)Cl S623687 [0,2,0,0,0,0|2,0,0]=4 694 B13R1.40 CNC(=O)OC1=CC=CC(=C1C)C PH009025 [0,2,0,0,0,0|2,0,0]=4 695 B13R1.40 COC(=O)CN1C=CC=C(C1=O)N PH015343 [0,2,0,0,0,0|1,0,0]=3 696 B13R1.40 COC(=O)NC1=C(C(=CC=C1)Cl)Cl S638102 [0,2,0,0,0,0|1,0,0]=3 697 B13R1.81 CCC(=O)NC1=CC(=CC=C1)C#N EME00239 [0,2,0,0,0,0|2,0,0]=4 698 B13R1.81 CCC(=O)NC1=CC(=CC=C1)OC S101311 [0,2,0,0,0,0|2,0,0]=4 699 B13R1.81 CCC1=CC(=CC=C1)OC(=O)NC S763179 [0,2,0,0,0,0|2,0,0]=4 700 B13R1.81 CNC(=O)NC1=CC=CC(=C1)OC S647217 [0,2,0,0,0,0|2,0,0]=4 701 B13R1.81 COC(=O)CC1=CC(=CC=C1)C#N PH003567 [0,2,0,0,0,0|0,0,0]=2 702 B13R1.81 COC(=O)C[N+]1=CC=CC(=C1)CF S225851 [0,2,0,0,0,0|1,0,0]=3 703 B13R1.81 COC(=O)NC1=CC(=CC=C1)OC S609366 [0,2,0,0,0,0|1,0,0]=3 704 B13R1.2872 CCC(=O)NC1=C(C=CC(=C1)C)Cl S844055 [0,2,0,0,0,0|2,0,0]=4 705 B13R1.2872 CCC(=O)NC1=C(C=CC(=C1)Cl)C S778729 [0,2,0,0,0,0|2,0,0]=4 706 B13R1.2872 CCC(=O)NC1=C(C=CC(=C1)F)F S694797 [0,2,0,0,0,0|2,0,0]=4 707 B13R1.2872 CNC(=O)NC1=C(C=CC(=C1)C)C S636657 [0,2,0,0,0,0|2,0,0]=4 708 B13R1.2872 CNC(=O)NC1=CC(=CC=C1C)Cl S611026 [0,2,0,0,0,0|2,0,0]=4 709 B13R1.2872 CNC(=O)NC1=CC(=CC=C1Cl)Cl S636495 [0,2,0,0,0,0|2,0,0]=4 710 B13R1.2872 COC(=O)NC1=C(C=CC(=C1)C)C S636231 [0,2,0,0,0,0|1,0,0]=3 711 B13R1.2872 COC(=O)NC1=C(C=CC(=C1)Cl)C S610194 [0,2,0,0,0,0|1,0,0]=3 712 B13R1.2872 COC(=O)NC1=C(C=CC(=C1)Cl)Cl S594113 [0,2,0,0,0,0|1,0,0]=3 713 B13R1.2874 CNC(=O)NC1=CC(=CC(=C1)C)C S661082 [0,2,0,0,0,0|2,0,0]=4 714 B13R1.2874 CNC(=O)NC1=CC(=CC(=C1)Cl)Cl S698679 [0,2,0,0,0,0|2,0,0]=4 715 B13R1.2874 N1C(=O)C=C(N=C1N)CC(=O)OC S897027 [0,2,0,0,0,0|2,0,0]=4 716 B13R1.91 CCC(=O)NC1=C(C=CC=C1)OC PH009614 [0,2,0,0,0,0|2,0,0]=4 717 B13R1.91 CCC1=C(C=CC=C1)NC(=O)OC S650633 [0,2,0,0,0,0|1,0,0]=3 718 B13R1.91 CCC1=CC=CC=C1NC(=O)NC S652709 [0,2,0,0,0,0|2,0,0]=4 719 B13R1.91 CNC(=O)NC1=CC=CC=C1OC S633925 [0,2,0,0,0,0|2,0,0]=4 720 B13R1.91 CNC(=O)OC1=C(C=CC=C1)OC PH009207 [0,2,0,0,0,0|2,0,0]=4 721 B13R1.91 COC(=O)CC1=CC=CC=C1CBr PH003542 [0,2,0,0,0,0|0,0,0]=2 722 B13R1.91 COC(=O)CC1=CC=CC=C1OC PH011317 [0,2,0,0,0,0|0,0,0]=2 723 B13R1.91 COC(=O)NC1=C(C=CC=C1)OC S638536 [0,2,0,0,0,0|1,0,0]=3 724 B13R1.4928 CCC(=O)NC1=C(C=CC=C1C)C S791032 [0,2,0,0,0,0|2,0,0]=4 725 B13R1.4928 CNC(=O)NC1=C(C=CC=C1C)C S664529 [0,2,0,0,0,0|2,0,0]=4 726 B13R1.4928 CNC(=O)NC1=C(C=CC=C1Cl)C S647179 [0,2,0,0,0,0|2,0,0]=4 727 B13R1.4928 CNC(=O)NC1=C(C=CC=C1Cl)Cl S665665 [0,2,0,0,0,0|2,0,0]=4 728 B13R1.4928 CNC(=O)OC1=C(C=CC=C1C)C PH009325 [0,2,0,0,0,0|2,0,0]=4 729 B13R1.4928 COC(=O)NC1=C(C=CC=C1C)C S667765 [0,2,0,0,0,0|1,0,0]=3 730 B13R1.4928 COC(=O)NC1=C(C=CC=C1C)Cl S667625 [0,2,0,0,0,0|1,0,0]=3 731 B13R1.4928 COC(=O)NC1=C(C=CC=C1Cl)Cl S597287 [0,2,0,0,0,0|1,0,0]=3 732 B11R1.25 COC(=O)/C=C/C1=CC=CS1 PH011225 [0,0,1,1,0,0|1,0,1]=4 733 B11R1.25 COC(=O)/C=C/C1=CNC=C1 R179809 [0,0,1,1,0,0|1,0,1]=4 734 B11R1.25 COC(=O)CCC1=CC=CN1 CDS005344 [0,0,1,1,0,0|1,0,1]=4 735 B11R1.852 COC(=O)N1C=CC=CC=C1 T168505 [0,0,1,1,0,0|1,0,0]=3 736 B11R2.1 C[N+]1=CSC2=CC=CC=C12 R785695 [1,0,0,1,0,0|2,0,0]=4 737 B11R2.20 C1=CC2=C(C=C1)CNCC2 R750530 [1,0,0,1,0,0|1,0,1]=4 738 B11R2.20 C1=CC=C2N=CNCC2=C1 PH008283 [1,0,0,1,0,0|2,0,0]=4 739 B11R2.239 C1=CC=C(C=C1)C2CCN2 CDS019224 [1,0,0,1,0,0|2,0,0]=4 740 B11R2.10 CC1CC2=C(O1)C=CC=C2 S455830 [1,0,0,1,0,0|0,0,2]=4 741 B11R2.10 CN1CC2=CC=CC=C2C1 PH012966 [1,0,0,1,0,0|2,0,0]=4 742 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [1,0,0,1,0,0|2,0,0]=4 743 B11R2.10 O=C1NC2=NC=CC=C2O1 CDS005683 [1,0,0,1,0,0|2,0,0]=4 744 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [1,0,0,1,0,0|1,1,0]=4 745 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [1,0,0,1,0,0|1,1,0]=4 746 B11R2.10 S=C1OC2=C(O1)C=CC=C2 L162752 [1,0,0,1,0,0|1,1,0]=4 747 B11R2.10 SC1CC2=CC=CC=C2C1 CDS023745 [1,0,0,1,0,0|0,1,1]=4 748 B11R2.10 [C@H]12C=CC=C[C@H]1CC(=O)C2 T183474 [1,0,0,1,0,0|0,0,2]=4 749 B13R2.10 N1N=C(CC1=O)C2=CC=CC=C2 S944661 [0,0,0,1,0,1|2,0,0]=4 750 B13R2.10 O=C1C=CN(C1)C2=CC=CC=C2 R464171 [0,0,0,1,0,1|1,0,1]=4 751 B13R2.10 O=C1CSC(N1)C2=CC=CC=C2 PH010364 [0,0,0,1,0,1|2,0,0]=4 752 B13R2.10 O=C1[CH-][N+](=NO1)C2=CC=CC=C2 R818488 [0,0,0,1,0,1|1,0,1]=4 753 B13R2.10 S=C1NCC(S1)C2=CC=CC=C2 PH006997 [0,0,0,1,0,1|1,1,0]=4 754 B13R2.32 CN1C(=O)CSC2=CC=CC=C12 T313084 [0,0,0,1,0,1|1,0,0]=3 755 B13R2.33 O=C1C=CC2=C(C=CC=C2)CC1 T199605 [0,0,0,1,0,1|1,0,1]=4 756 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 T199613 [0,0,0,1,0,1|1,0,0]=3 757 B13R2.33 O=C1CNC2=CC=CC=C2CN1 CDS003920 [0,0,0,1,0,1|1,0,0]=3 758 B13R2.57 CCC1=NC2=CC=CC=C2CN1 PH013509 [0,0,0,1,0,1|2,0,0]=4 759 B13R2.57 COC1=CC=C2C=CC=CC2=N1 T170909 [0,0,0,1,0,1|1,0,1]=4 760 B13R2.1100 C1(C2C=CCC1C=C2)C(=O)OC T198714 [0,0,0,1,0,1|0,0,2]=4 761 B13R2.15 O=C1CCCC1C2=CC=CC=N2 PH013013 [0,1,0,1,0,0|2,0,0]=4 762 B13R2.15 O=C1NCCC1C2=CC=CC=C2 PH002073 [0,1,0,1,0,0|1,0,0]=3 763 B13R2.26 CCOC1=NC2=C(S1)C=CC=C2 S822531 [0,1,0,1,0,0|1,1,0]=4 764 B13R2.26 COCC1=NC2=C(N1)C=CC=C2 PH009932 [0,1,0,1,0,0|2,0,0]=4 765 B13R2.64 C1=CC=C(C=C1)CN2CCOC2 CDS000096 [0,1,0,1,0,0|2,0,0]=4 766 B13R2.64 C1=CC=C(C=C1)SC2=COCC2 T251194 [0,1,0,1,0,0|2,0,0]=4 767 B13R2.64 C1=CC=C(C=C1)[Se]C2=CCCO2 T292648 [0,1,0,1,0,0|2,0,0]=4 768 B13R2.64 N1CCN=C1CC2=CC=CC=C2 S734241 [0,1,0,1,0,0|2,0,0]=4 769 B13R2.135 N#CC1C(=O)CC2=C1C=CC=C2 S887153 [0,1,0,1,0,0|1,0,1]=4 770 B13R2.135 O=C1NC2=CC=CC=C2N1CO PH007132 [0,1,0,1,0,0|2,0,0]=4 771 B13R2.135 O=C1SC2=C(N1CCl)C=CC=C2 R587516 [0,1,0,1,0,0|2,0,0]=4 772 B13R2.135 O=C1SC2=C(N1CO)C=CC=C2 R587532 [0,1,0,1,0,0|2,0,0]=4 773 B13R2.135 O=C1SC2=CC=CC=C2N1CCl R242918 [0,1,0,1,0,0|2,0,0]=4 774 B13R2.163 O=C1CCCC2=C(C1)C=CC=C2 T203084 [0,1,0,1,0,0|1,0,0]=3 775 B13R2.163 O=C1CCCC2=CC=CC=C2N1 T167568 [0,1,0,1,0,0|2,0,0]=4 776 B13R2.163 O=C1CCNC2=CC=CC=C2N1 T324922 [0,1,0,1,0,0|2,0,0]=4 777 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 S97102 [0,1,0,1,0,0|2,0,0]=4 778 B13R2.444 O=C(CC1=NC=CC=C1)C2CC2 PH010139 [0,1,0,1,0,0|2,0,0]=4 779 B13R2.45 C(=O)C1=C(C2=C(O1)C=CC=C2)C L169501 [0,1,0,1,0,0|2,0,0]=4 780 B13R2.45 CN1C(=NC2=C1C=CC=C2)C=O PH010767 [0,1,0,1,0,0|2,0,0]=4 781 B13R2.45 COC1CC2=CC=CC=C2C1O PH010215 [0,1,0,1,0,0|0,0,2]=4 782 B13R2.45 N/C=C/1\CC2=C(C1=O)C=CC=C2 PH000641 [0,1,0,1,0,0|2,0,0]=4 783 B13R2.3085 CC1C(=N)N(C2=C1C=CC=C2)C R101125 [0,1,0,1,0,0|2,0,0]=4 784 B13R2.3085 CC1C(=O)N(C2=C1C=CC=C2)C PH008863 [0,1,0,1,0,0|1,0,0]=3 785 B13R2.359 CC1(C(=O)CC2=C1C=CC=C2)C PH008000 [0,1,0,1,0,0|1,0,0]=3 786 B13R2.369 CC1=CC2=C(C=CC=C2)OC1=O PH003698 [0,1,0,1,0,0|2,0,0]=4 787 B13R2.369 CC1CC2=CC=CC=C2NC1=O PH002978 [0,1,0,1,0,0|2,0,0]=4 788 B13R2.369 CC1CC2=CC=CC=C2OC1=O T217115 [0,1,0,1,0,0|2,0,0]=4 789 B13R2.369 CC1NC2=C(C=CC=C2)NC1=O R227021 [0,1,0,1,0,0|2,0,0]=4 790 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O JRD0784 [0,1,0,1,0,0|2,0,0]=4 791 B13R2.369 CC1SC2=CC=CC=C2NC1=O JRD0961 [0,1,0,1,0,0|2,0,0]=4 792 B13R2.3028 O=C1CC2=C(N1O)C=C(C=C2)Cl PH008424 [0,1,0,1,0,0|2,0,0]=4 793 B13R2.3683 CC1=CC=C2OC(=O)CCC2=C1 IDF00001 [0,1,0,1,0,0|2,0,0]=4 794 B13R2.3683 CC1=CC=C2SC(=O)CCC2=C1 IDF00008 [0,1,0,1,0,0|2,0,0]=4 795 B13R2.3683 O=C1CCC2=CC(=CC=C2O1)Br PH010437 [0,1,0,1,0,0|2,0,0]=4 796 B13R2.3683 O=C1CCC2=CC(=CC=C2S1)Cl IDF00017 [0,1,0,1,0,0|2,0,0]=4 797 B13R2.3683 O=C1NC2=CC=C(C=C2CO1)Br PHB00124 [0,1,0,1,0,0|1,0,0]=3 798 B13R2.54 COC1=NC2=C(S1)C=CC=C2Cl R785733 [0,1,0,1,0,0|1,1,0]=4 799 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 CDS006614 [0,1,0,1,0,0|2,0,0]=4 800 B13R2.155 O=C1CCC2=C(O1)C=C(C=C2)Br IDF00036 [0,1,0,1,0,0|2,0,0]=4 801 B13R2.5190 CN1C(=O)CC2=C1C=CC(=C2)Cl PH009430 [0,1,0,1,0,0|1,0,0]=3 802 B13R2.5190 CN1C(=O)CC2=C1C=CC(=C2)O PH010625 [0,1,0,1,0,0|1,0,0]=3 803 B13R2.222 O=S1(=O)CCC2=C(C1)C=CC=C2 T163694 [0,1,0,1,0,0|2,0,0]=4 804 B13R2.162 O=C1CCC2=C(C1)C(=CC=C2)Br PH014667 [0,1,0,1,0,0|1,0,0]=3 805 B13R2.162 O=C1CCC2=CC=CC(=C2C1)Cl PH014571 [0,1,0,1,0,0|1,0,0]=3 806 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [1,0,0,0,1,0|0,1,1]=4 807 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [1,0,0,0,1,0|2,0,0]=4 808 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [1,0,0,0,1,0|2,0,0]=4 809 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [1,0,0,0,1,0|2,0,0]=4 810 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [1,0,0,0,1,0|2,0,0]=4 811 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [1,0,0,0,1,0|1,0,0]=3 812 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [1,0,0,0,1,0|1,0,0]=3 813 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [1,0,0,0,1,0|2,0,0]=4 814 B9R1.6 O=C(O)C1C=CCC=C1 T167908 [1,0,0,0,1,0|0,0,2]=4 815 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [1,0,0,0,1,0|0,0,1]=3 816 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [1,0,0,0,1,0|1,0,0]=3 817 B9R1.13 CC(=O)CC1=CC=CO1 CDS001522 [1,0,0,0,1,0|1,0,0]=3 818 B9R1.13 CC(=O)CN1C=CC=N1 CBR00875 [1,0,0,0,1,0|2,0,0]=4 819 B9R1.13 CC(=O)NC1=CSC=C1 S943886 [1,0,0,0,1,0|2,0,0]=4 820 B9R1.13 NC(=O)CC1=CC=CS1 S90671 [1,0,0,0,1,0|2,0,0]=4 821 B9R1.13 O=C(O)CC1=CNC=C1 CDS023068 [1,0,0,0,1,0|1,0,0]=3 822 B9R1.13 O=C(O)CC1=CSC=N1 CDS019681 [1,0,0,0,1,0|2,0,0]=4 823 B9R1.13 O=C(O)CC1=CSC=N1 OTV000637 [1,0,0,0,1,0|2,0,0]=4 824 B9R1.13 O=C(O)CC1=NC=CS1 CDS019262 [1,0,0,0,1,0|2,0,0]=4 825 B9R1.13 O=C(O)CN1C=CN=C1 CDS000415 [1,0,0,0,1,0|2,0,0]=4 826 B9R1.11 CCC(=O)C1=CC=CN1 CDS000726 [0,0,0,0,2,0|2,0,0]=4 827 B9R1.11 CCC(=O)C1=CC=CO1 CDS001525 [0,0,0,0,2,0|2,0,0]=4 828 B9R1.11 COC(=O)C1=NNC=C1 CDS009495 [0,0,0,0,2,0|2,0,0]=4 829 B13R1.718 COC(=O)CCCC1=CC=CC=C1 PH010421 [0,0,0,0,0,2|0,0,0]=2 830 B13R1.718 COC(=O)CCNC1=NC=CC=C1 EME00312 [0,0,0,0,0,2|1,0,0]=3 831 B13R1.718 COC(=O)CCOC1=CC=CC=C1 S363723 [0,0,0,0,0,2|0,0,0]=2 832 B13R1.718 COC(=O)CCSC1=CC=CC=C1 S614378 [0,0,0,0,0,2|0,0,0]=2 833 B13R1.718 COC(=O)CSCC1=CC=CC=C1 S614149 [0,0,0,0,0,2|0,0,0]=2 834 B13R1.718 COC(=O)NNCC1=CC=CC=C1 PH007736 [0,0,0,0,0,2|0,0,0]=2 835 B13R1.718 O=C(CBr)NCCC1=CC=CC=C1 CDS006204 [0,0,0,0,0,2|2,0,0]=4 836 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 R397792 [0,0,0,0,0,2|2,0,0]=4