0 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.20 CC(=CC1=CC=C(C=C1)Cl)C S428086 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.20 CC(=O)CC1=CC=C(C=N1)C CBR01484 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [0,0,0,0,0,0|1,0,0]=1 7 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [0,0,0,0,0,0|0,0,1]=1 8 B11R1.20 CC(=O)NC1=CC=C(C=N1)F CDS020931 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.20 CC(=O)NC1=NC=C(C=C1)C S803375 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.20 CC(C)OC1=CC=C(C=C1)Br S671118 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.20 CC(C)OC1=CC=C(C=C1)N CDS002559 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.20 CC(C)OC1=CC=C(C=C1)N PH011325 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.20 CC(C)SC1=CC=C(C=C1)Cl PH000601 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S614556 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S862371 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [0,0,0,0,0,0|2,0,0]=2 20 B11R1.20 CC1=CC=C(C=C1)NC(=S)N R612898 [0,0,0,0,0,0|2,1,0]=3 21 B11R1.20 CC1=CC=C(C=N1)CC(=O)O CDS019833 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.20 CC1=CC=[N+](C=C1)CC(=O)N S242551 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.20 CN(C)CC1=CC=C(C=C1)Br PH012027 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.20 N=C(N)NC1=CC=C(C=C1)F S614564 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [0,0,0,0,0,0|2,0,0]=2 27 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [0,0,0,0,0,0|2,0,0]=2 28 B11R1.20 NC(=S)CC1=CC=C(C=C1)Cl PH011776 [0,0,0,0,0,0|3,1,0]=4 29 B11R1.20 NC(=S)NC1=CC=C(C=C1)Br PH010901 [0,0,0,0,0,0|2,1,0]=3 30 B11R1.20 NC(=S)NC1=CC=C(C=C1)Cl PH010858 [0,0,0,0,0,0|2,1,0]=3 31 B11R1.20 NC1=CC=C(C=C1)CC(=S)O R466522 [0,0,0,0,0,0|3,0,1]=4 32 B11R1.20 O=C(Br)NC1=CC=C(C=C1)Br S280003 [0,0,0,0,0,0|2,0,0]=2 33 B11R1.20 O=C(Cl)SC1=CC=C(C=C1)Cl S592773 [0,0,0,0,0,0|3,0,0]=3 34 B11R1.20 O=C(O)CC1=CC=C(N=C1)Cl CDS003355 [0,0,0,0,0,0|4,0,0]=4 35 B11R1.20 S=C(Cl)OC1=CC=C(C=C1)Cl T341398 [0,0,0,0,0,0|3,1,0]=4 36 B11R1.20 S=C(Cl)SC1=CC=C(C=C1)Cl PH007816 [0,0,0,0,0,0|3,1,0]=4 37 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [1,0,0,0,0,0|1,0,0]=2 38 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [1,0,0,0,0,0|0,0,0]=1 39 B10R1.1 C=COC1=CC=C(C=C1)N CDS001792 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [1,0,0,0,0,0|2,0,1]=4 41 B10R1.1 CCNC1=CC=C(C=C1)Cl PH011437 [1,0,0,0,0,0|1,0,1]=3 42 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.1 CCSC1=CC=C(C=C1)N CBR00879 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.1 COCC1=CC=C(C=C1)O S392596 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.1 ClC1=CC=C(C=C1)/C=C/Br CDS004058 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.1 O/N=C/C1=CC=C(C=C1)O PH010937 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.1 O=CNC1=CC=C(C=C1)F S576530 [1,0,0,0,0,0|1,0,0]=2 53 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.18 CC(=O)CC1=CN=CC=N1 CDS013843 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [1,0,0,0,0,0|1,0,0]=2 60 B10R1.18 CC(C)NC1=NC=CC=C1 EME00318 [1,0,0,0,0,0|2,0,1]=4 61 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [1,0,0,0,0,0|3,0,0]=4 71 B12R1.4 C=CC1=CN=C(C=C1)NC(=O)C PH016842 [0,1,0,0,0,0|2,0,0]=3 72 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO PH010581 [0,1,0,0,0,0|0,0,0]=1 73 B12R1.4 CC(=O)NC1=CC=C(C=C1)[Hg]Cl S881155 [0,1,0,0,0,0|1,0,0]=2 74 B12R1.4 CC(=O)OC1=CC=C(C=C1)C#N PH011683 [0,1,0,0,0,0|2,0,0]=3 75 B12R1.4 CCC1=CC=C(C=C1)NC(=N)N S614599 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.4 CCC1=CC=C(C=C1)NC(=O)C S752002 [0,1,0,0,0,0|1,0,0]=2 77 B12R1.4 CCC1=CC=C(C=C1)NC(=O)N S639788 [0,1,0,0,0,0|2,0,0]=3 78 B12R1.4 CCC1=CC=C(C=C1)NC(=S)N PH011444 [0,1,0,0,0,0|2,1,0]=4 79 B12R1.4 COC1=CC=C(C=C1)CC(=N)N PH014588 [0,1,0,0,0,0|3,0,0]=4 80 B12R1.4 COC1=CC=C(C=C1)CC(=O)N S580813 [0,1,0,0,0,0|2,0,0]=3 81 B12R1.4 COC1=CC=C(C=C1)CN(C)N PH007521 [0,1,0,0,0,0|3,0,0]=4 82 B12R1.4 COC1=CC=C(C=C1)NC(=N)N S614491 [0,1,0,0,0,0|2,0,0]=3 83 B12R1.4 COC1=CC=C(C=C1)NC(=O)N S576751 [0,1,0,0,0,0|1,0,0]=2 84 B12R1.4 COC1=CC=C(C=C1)NC(=S)N S223034 [0,1,0,0,0,0|1,1,0]=3 85 B12R1.4 COC1=CC=C(C=C1)NC(C)C PH009967 [0,1,0,0,0,0|1,0,1]=3 86 B12R1.4 CSC1=CC=C(C=C1)NC(=O)C S390283 [0,1,0,0,0,0|0,1,0]=2 87 B12R1.4 CSC1=CC=C(C=C1)NC(=O)N S892882 [0,1,0,0,0,0|1,1,0]=3 88 B12R1.4 NCC1=CC=C(C=C1)NC(=O)N CDS011984 [0,1,0,0,0,0|2,0,0]=3 89 B12R1.19 CC(=O)NC1=CC(=C(C=C1)C)Cl S753084 [0,1,0,0,0,0|1,0,0]=2 90 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)C S752061 [0,1,0,0,0,0|1,0,0]=2 91 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)Cl S360244 [0,1,0,0,0,0|1,0,0]=2 92 B12R1.19 CC(=O)NC1=CC(=C(C=C1)F)Cl S388254 [0,1,0,0,0,0|1,0,0]=2 93 B12R1.19 CC(=O)NC1=CC(=C(C=C1)F)F S500682 [0,1,0,0,0,0|1,0,0]=2 94 B12R1.19 CC(=O)NC1=CC(=C(C=C1)I)C L168084 [0,1,0,0,0,0|1,0,0]=2 95 B12R1.19 CC(=O)NC1=CC=C(C(=C1)C)N CBR02022 [0,1,0,0,0,0|1,0,0]=2 96 B12R1.19 CC(=O)NC1=CC=C(C(=C1)N)C CBR00068 [0,1,0,0,0,0|1,0,0]=2 97 B12R1.19 CC(=O)OC1=CC(=C(C=C1)C)C S240591 [0,1,0,0,0,0|2,0,0]=3 98 B12R1.19 CC1=C(C=C(C=C1)NC(=S)N)C R610909 [0,1,0,0,0,0|2,1,0]=4 99 B12R1.19 CC1=CC=C(C=C1C)NC(=O)N S576050 [0,1,0,0,0,0|2,0,0]=3 100 B12R1.19 CC1=CC=C(C=C1Cl)NC(=O)N S534447 [0,1,0,0,0,0|2,0,0]=3 101 B12R1.19 N=C(N)NC1=CC=C(C(=C1)Cl)Cl S614629 [0,1,0,0,0,0|3,0,0]=4 102 B12R1.19 NC(=S)NC1=CC(=C(C=C1)Cl)Cl PH000037 [0,1,0,0,0,0|2,1,0]=4 103 B12R1.19 NC(=S)NC1=CC=C(C(=C1)Cl)F JRD0341 [0,1,0,0,0,0|2,1,0]=4 104 B12R1.19 O=C(Cl)CC1=CC=C(C(=C1)Cl)Cl PH016732 [0,1,0,0,0,0|3,0,0]=4 105 B12R1.19 O=C(Cl)CC1=CC=C(C(=C1)F)F CDS012016 [0,1,0,0,0,0|3,0,0]=4 106 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Br)O CDS004577 [0,1,0,0,0,0|2,0,0]=3 107 B12R1.19 O=C(O)CC1=CC=C(C(=C1)F)Cl CDS022092 [0,1,0,0,0,0|3,0,0]=4 108 B12R1.19 S=C([S-])NC1=CC(=C(C=C1)Cl)Cl S686565 [0,1,0,0,0,0|2,1,0]=4 109 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)Br S838691 [0,1,0,0,0,0|1,0,0]=2 110 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)Cl PH007239 [0,1,0,0,0,0|1,0,0]=2 111 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)N R750425 [0,1,0,0,0,0|1,0,0]=2 112 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F S450359 [0,1,0,0,0,0|3,0,0]=4 113 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)O CDS011629 [0,1,0,0,0,0|3,0,0]=4 114 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)O PH000116 [0,1,0,0,0,0|2,0,0]=3 115 B12R1.20 NC1=CC=C(C=C1)C(N)C(=O)O PH000028 [0,1,0,0,0,0|3,0,0]=4 116 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Cl CDS019939 [0,1,0,0,0,0|3,0,0]=4 117 B12R1.49 CC(=CC1=CC=C(C=C1)F)C#N S448060 [0,1,0,0,0,0|3,0,0]=4 118 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl S278947 [0,1,0,0,0,0|1,0,0]=2 119 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl S390305 [0,1,0,0,0,0|1,0,0]=2 120 B12R1.49 CC1=CC=C(C=C1)NC(=S)C#N S897914 [0,1,0,0,0,0|1,1,1]=4 121 B12R1.49 CC1=CC=C(N=C1)NC(=O)CCl CBR00101 [0,1,0,0,0,0|2,0,0]=3 122 B12R1.49 CCC(=O)NC1=CC=C(C=C1)Br S695114 [0,1,0,0,0,0|1,0,0]=2 123 B12R1.49 CCC(=O)NC1=CC=C(C=C1)C S825255 [0,1,0,0,0,0|1,0,0]=2 124 B12R1.49 CCC(=O)NC1=CC=C(C=C1)Cl S790958 [0,1,0,0,0,0|1,0,0]=2 125 B12R1.49 CCC(=O)NC1=CC=C(C=C1)F S397512 [0,1,0,0,0,0|1,0,0]=2 126 B12R1.49 CCC(=O)NC1=CC=C(C=C1)I S916560 [0,1,0,0,0,0|1,0,0]=2 127 B12R1.49 CCC(=O)NC1=CC=C(C=C1)N R703206 [0,1,0,0,0,0|1,0,0]=2 128 B12R1.49 CCC(=S)NC1=CC=C(C=C1)Cl S390224 [0,1,0,0,0,0|1,1,0]=3 129 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Br S665088 [0,1,0,0,0,0|1,0,0]=2 130 B12R1.49 CNC(=O)NC1=CC=C(C=C1)C S644315 [0,1,0,0,0,0|1,0,0]=2 131 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S279838 [0,1,0,0,0,0|1,0,0]=2 132 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S591734 [0,1,0,0,0,0|1,0,0]=2 133 B12R1.49 CNC(=O)OC1=CC=C(C=C1)Br S763187 [0,1,0,0,0,0|2,0,0]=3 134 B12R1.49 CNC(=O)OC1=CC=C(C=C1)F S772801 [0,1,0,0,0,0|2,0,0]=3 135 B12R1.49 CNC(=O)SC1=CC=C(C=C1)Cl S903612 [0,1,0,0,0,0|2,0,0]=3 136 B12R1.49 CNC(=S)NC1=CC=C(C=C1)Br PH010047 [0,1,0,0,0,0|1,1,0]=3 137 B12R1.49 CNC(=S)NC1=CC=C(C=C1)C PH010042 [0,1,0,0,0,0|1,1,0]=3 138 B12R1.49 CNC(=S)NC1=CC=C(C=C1)Cl PH009766 [0,1,0,0,0,0|1,1,0]=3 139 B12R1.49 CNC(=S)NC1=CC=C(C=C1)F TMT00071 [0,1,0,0,0,0|1,1,0]=3 140 B12R1.49 CNC(=S)NC1=CC=C(C=C1)I TMT00123 [0,1,0,0,0,0|1,1,0]=3 141 B12R1.49 CNC(C)CC1=CC=C(C=C1)O S411558 [0,1,0,0,0,0|2,0,1]=4 142 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PH005153 [0,1,0,0,0,0|2,0,0]=3 143 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl S734578 [0,1,0,0,0,0|2,0,0]=3 144 B12R1.49 COC(=O)CC1=CC=C(C=C1)N CDS002964 [0,1,0,0,0,0|2,0,0]=3 145 B12R1.49 COC(=O)CC1=CC=C(C=N1)Br PHB00159 [0,1,0,0,0,0|3,0,0]=4 146 B12R1.49 COC(=O)C[N+]1=CC=C(C=C1)C S225843 [0,1,0,0,0,0|3,0,0]=4 147 B12R1.49 COC(=O)NC1=CC=C(C=C1)Br S667692 [0,1,0,0,0,0|1,0,0]=2 148 B12R1.49 COC(=O)NC1=CC=C(C=C1)C S612707 [0,1,0,0,0,0|1,0,0]=2 149 B12R1.49 CS/C(=N/C1=CC=C(C=C1)Cl)/N PH011891 [0,1,0,0,0,0|2,0,1]=4 150 B12R1.49 CSC(=S)NC1=NC=C(C=C1)C PH007546 [0,1,0,0,0,0|2,1,0]=4 151 B12R1.49 N#CC(=O)NC1=CC=C(C=C1)Br S898104 [0,1,0,0,0,0|1,0,1]=3 152 B12R1.49 N#CC(=O)NC1=CC=C(C=C1)Cl S898090 [0,1,0,0,0,0|1,0,1]=3 153 B12R1.49 NC(CC1=CC=C(C=C1)O)N=O PH016710 [0,1,0,0,0,0|2,0,1]=4 154 B12R1.49 O=C(CBr)NC1=CC=C(C=C1)Br PH011084 [0,1,0,0,0,0|1,0,0]=2 155 B12R1.49 O=C(CBr)NC1=CC=C(C=C1)Cl PH010742 [0,1,0,0,0,0|1,0,0]=2 156 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)Cl S188883 [0,1,0,0,0,0|1,0,0]=2 157 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)Cl S407488 [0,1,0,0,0,0|1,0,0]=2 158 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)F S728950 [0,1,0,0,0,0|1,0,0]=2 159 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)I S878219 [0,1,0,0,0,0|1,0,0]=2 160 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)O T304573 [0,1,0,0,0,0|0,0,0]=1 161 B12R1.49 O=C(CI)NC1=CC=C(C=C1)Br S399272 [0,1,0,0,0,0|1,0,0]=2 162 B12R1.49 O=C(CS)NC1=CC=C(C=C1)F OTV001006 [0,1,0,0,0,0|1,0,0]=2 163 B12R1.49 O=C(NO)NC1=CC=C(C=C1)Br S649791 [0,1,0,0,0,0|2,0,0]=3 164 B12R1.49 O=C(NO)NC1=CC=C(C=C1)Cl S595675 [0,1,0,0,0,0|2,0,0]=3 165 B12R1.49 [NH4]SC(=S)NC1=CC=C(C=C1)F S545155 [0,1,0,0,0,0|2,1,0]=4 166 B12R1.106 CC1=CC=C(C=C1)NS(=O)(=O)C T100080 [0,1,0,0,0,0|2,0,0]=3 167 B12R1.106 CS(=O)(=O)CC1=CC=C(C=C1)Cl PH009147 [0,1,0,0,0,0|3,0,0]=4 168 B12R1.106 CS(=O)(=O)NC1=CC=C(C=C1)Cl T100153 [0,1,0,0,0,0|2,0,0]=3 169 B12R1.233 CC(=O)CC1=CC=C(C=C1C)C R226734 [0,1,0,0,0,0|2,0,0]=3 170 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)Br S778214 [0,1,0,0,0,0|1,0,0]=2 171 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)C S507415 [0,1,0,0,0,0|1,0,0]=2 172 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)Br PH006836 [0,1,0,0,0,0|1,0,0]=2 173 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)C S744840 [0,1,0,0,0,0|1,0,0]=2 174 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)I PH005832 [0,1,0,0,0,0|1,0,0]=2 175 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)F S754757 [0,1,0,0,0,0|1,0,0]=2 176 B12R1.233 CC(=O)NC1=C(C=C(C=C1)I)C L168092 [0,1,0,0,0,0|1,0,0]=2 177 B12R1.233 CC(=O)NC1=C(C=C(C=C1)I)Cl PH011376 [0,1,0,0,0,0|1,0,0]=2 178 B12R1.233 CC(=O)NC1=C(C=C(C=C1)O)C PH007046 [0,1,0,0,0,0|0,0,0]=1 179 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)C T331570 [0,1,0,0,0,0|1,0,0]=2 180 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)Cl R591629 [0,1,0,0,0,0|1,0,0]=2 181 B12R1.233 CC(=O)NC1=CC=C(C=C1I)Br R648612 [0,1,0,0,0,0|1,0,0]=2 182 B12R1.233 CC(=O)NC1=NC=C(C=C1Br)N CDS023415 [0,1,0,0,0,0|2,0,0]=3 183 B12R1.233 CC(=S)NC1=C(C=C(C=C1)C)Br R428477 [0,1,0,0,0,0|1,1,0]=3 184 B12R1.233 CC1=CC(=CC=C1NC(=O)N)Cl S601519 [0,1,0,0,0,0|2,0,0]=3 185 B12R1.233 CC1=CC=C(C(=C1)C)NC(=N)N S614645 [0,1,0,0,0,0|3,0,0]=4 186 B12R1.233 CC1=CC=C(C(=C1)C)NC(=O)N S411590 [0,1,0,0,0,0|2,0,0]=3 187 B12R1.233 CC1=CC=C(C(=C1)C)NC(=S)N R611220 [0,1,0,0,0,0|2,1,0]=4 188 B12R1.233 CC1=CC=C(C(=C1)O)CC(=O)O PH016856 [0,1,0,0,0,0|3,0,0]=4 189 B12R1.233 FC1=CC(=C(C=C1)NC(=S)S)F S693715 [0,1,0,0,0,0|2,1,0]=4 190 B12R1.233 NC(=O)NC1=CC=C(C=C1Cl)Cl S764116 [0,1,0,0,0,0|2,0,0]=3 191 B12R1.233 NC(=O)NC1=CC=C(C=C1F)F S730564 [0,1,0,0,0,0|2,0,0]=3 192 B12R1.233 NC(=S)NC1=CC=C(C=C1Cl)Cl S655031 [0,1,0,0,0,0|2,1,0]=4 193 B10R0.96 C(=C\C(=O)NC(=O)N)\C(=O)O S343331 [0,0,1,0,0,0|3,0,0]=4 194 B12R2.606 CC1=CC2=C(C=C1)N=C(S2)C PH000069 [0,0,0,1,0,0|1,1,1]=4 195 B12R2.606 CC1=CC2=C(O1)C=CC(=C2)N CDS021488 [0,0,0,1,0,0|3,0,0]=4 196 B12R2.606 CC1=CC2=CC(=CN=C2N1)Br ADE001092 [0,0,0,1,0,0|3,0,0]=4 197 B12R2.606 CC1=CC2=CC=C(C=C2N1)Cl CDS022887 [0,0,0,1,0,0|3,0,0]=4 198 B12R2.606 CC1=CC=C2NC(=NC2=C1)N CDS005473 [0,0,0,1,0,0|3,0,0]=4 199 B12R2.606 CC1=NC2=C(O1)C=CC(=C2)N CDS017157 [0,0,0,1,0,0|3,0,0]=4 200 B12R2.606 CC1=NC2=CC(=CC=C2N1)O CBR02477 [0,0,0,1,0,0|1,0,0]=2 201 B12R2.606 CC1=NC2=CC(=CC=C2O1)O CDS003560 [0,0,0,1,0,0|2,0,0]=3 202 B12R2.606 CC1=NC2=CC=C(C=C2N1)N CDS022382 [0,0,0,1,0,0|2,0,1]=4 203 B12R2.606 CC1=NC2=CC=C(C=C2O1)O CDS009773 [0,0,0,1,0,0|0,0,2]=3 204 B12R2.606 CC1=NC2=CC=C(C=C2S1)I CDS021504 [0,0,0,1,0,0|1,1,1]=4 205 B12R2.606 CC1=NC2=CC=C(C=C2S1)N CBR00322 [0,0,0,1,0,0|1,1,1]=4 206 B12R2.606 FC1=CC2=C(C=C1)NC(=S)N2 L202959 [0,0,0,1,0,0|2,1,0]=4 207 B12R2.606 N1C(=NC2=C1C=CC(=C2)Br)Cl KOB0075 [0,0,0,1,0,0|3,0,0]=4 208 B12R2.606 N1C(=NC2=C1C=CC(=C2)Cl)C S438812 [0,0,0,1,0,0|2,0,0]=3 209 B12R2.606 N1C2=CC=C(C=C2N=C1C)Br ANV00243 [0,0,0,1,0,0|2,0,0]=3 210 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 CDS003171 [0,0,0,1,0,0|2,0,0]=3 211 B12R2.606 NC1=CC2=C(C=C1)NC(=S)S2 S275085 [0,0,0,1,0,0|2,1,0]=4 212 B12R2.606 NC1=NC2=C(N1)C=CC(=C2)Br CDS022313 [0,0,0,1,0,0|3,0,0]=4 213 B12R2.606 NC1=NC2=C(N1)C=CC(=C2)Cl PH016109 [0,0,0,1,0,0|3,0,0]=4 214 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)O CDS007524 [0,0,0,1,0,0|1,1,1]=4 215 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CDS004194 [0,0,0,1,0,0|0,0,0]=1 216 B12R2.606 O=C1CC2=CC(=CN=C2N1)F ADE001070 [0,0,0,1,0,0|2,0,0]=3 217 B12R2.606 O=C1NC2=C(N1)N=C(C=C2)Cl CDS022312 [0,0,0,1,0,0|3,0,0]=4 218 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)Cl R645915 [0,0,0,1,0,0|2,0,0]=3 219 B12R2.606 O=C1NC2=C(O1)C=C(C=C2)I CDS022774 [0,0,0,1,0,0|2,0,0]=3 220 B12R2.606 O=C1NC2=C(S1)C=C(C=C2)Br R587540 [0,0,0,1,0,0|2,0,0]=3 221 B12R2.606 O=C1NC2=CC=C(C=C2N1)Br CDS007377 [0,0,0,1,0,0|2,0,0]=3 222 B12R2.606 O=C1NC2=NC=C(C=C2O1)Br CDS005180 [0,0,0,1,0,0|3,0,0]=4 223 B12R2.606 O=C1OC2=C(S1)C=C(C=C2)O R584991 [0,0,0,1,0,0|2,0,0]=3 224 B12R2.606 OC1=NC2=C(N1)C=CC(=C2)Cl S802042 [0,0,0,1,0,0|2,0,1]=4 225 B12R2.606 S=C1NC2=C(S1)C=C(C=C2)Cl R786403 [0,0,0,1,0,0|2,1,0]=4 226 B12R2.606 SC1=NC2=CC(=CC=C2N1)Cl TMT00049 [0,0,0,1,0,0|2,1,0]=4 227 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [0,0,0,0,1,0|2,0,0]=3 228 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [0,0,0,0,1,0|2,0,0]=3 229 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [0,0,0,0,1,0|2,0,0]=3 230 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [0,0,0,0,1,0|2,0,0]=3 231 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [0,0,0,0,1,0|2,0,1]=4 232 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [0,0,0,0,1,0|1,1,1]=4 233 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [0,0,0,0,1,0|3,0,0]=4 234 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [0,0,0,0,1,0|3,0,0]=4 235 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [0,0,0,0,1,0|3,0,0]=4 236 B10R1.13 CN(C)C1=CC=C(C=C1)S CDS006116 [0,0,0,0,1,0|2,1,0]=4 237 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [0,0,0,0,1,0|3,0,0]=4 238 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [0,0,0,0,1,0|3,0,0]=4 239 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [0,0,0,0,1,0|3,0,0]=4 240 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [0,0,0,0,1,0|2,0,0]=3 241 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [0,0,0,0,1,0|2,0,0]=3 242 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [0,0,0,0,1,0|2,0,0]=3 243 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [0,0,0,0,1,0|2,0,0]=3 244 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [0,0,0,0,1,0|1,1,0]=3 245 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [0,0,0,0,1,0|2,0,0]=3 246 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [0,0,0,0,1,0|2,0,0]=3 247 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [0,0,0,0,1,0|3,0,0]=4 248 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [0,0,0,0,1,0|2,0,0]=3 249 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [0,0,0,0,1,0|2,0,0]=3 250 B10R1.13 O=S([O-])C1=CC=C(C=C1)Cl S614394 [0,0,0,0,1,0|3,0,0]=4 251 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)[O-] S592323 [0,0,0,0,1,0|2,0,1]=4 252 B10R1.54 CC(=O)NC1=NOC(=C1)C T318779 [0,0,0,0,1,0|3,0,0]=4 253 B12R1.21 CC(=CCC1=CC=C(C=C1)O)C S369632 [0,0,0,0,0,1|2,0,0]=3 254 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)Br TMT00515 [0,0,0,0,0,1|2,0,0]=3 255 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F CDS016057 [0,0,0,0,0,1|2,0,0]=3 256 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O S350656 [0,0,0,0,0,1|1,0,0]=2 257 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Br VBP00216 [0,0,0,0,0,1|2,0,0]=3 258 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Cl PH009464 [0,0,0,0,0,1|1,0,0]=2 259 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C S528498 [0,0,0,0,0,1|2,0,0]=3 260 B12R1.21 CC(C)CCC1=CC=C(C=C1)O S511803 [0,0,0,0,0,1|2,0,1]=4 261 B12R1.21 CC(C)NCC1=CC=C(C=C1)Cl PH011090 [0,0,0,0,0,1|2,0,1]=4 262 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)N R640662 [0,0,0,0,0,1|3,0,0]=4 263 B12R1.21 CC1=CC=C(C=C1)OCC(=O)Cl OTV000056 [0,0,0,0,0,1|3,0,0]=4 264 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O S755710 [0,0,0,0,0,1|3,0,0]=4 265 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S452254 [0,0,0,0,0,1|3,0,0]=4 266 B12R1.21 N=C(N)NN=C1C=CC(=O)C=C1 R414492 [0,0,0,0,0,1|2,0,1]=4 267 B12R1.21 NC(=O)/C=C/C1=CC=C(C=C1)Cl PH010888 [0,0,0,0,0,1|3,0,0]=4 268 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CDS020808 [0,0,0,0,0,1|2,0,0]=3 269 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br CBR00191 [0,0,0,0,0,1|3,0,0]=4 270 B12R1.21 NC(=O)COC1=CC=C(C=C1)N TMT00025 [0,0,0,0,0,1|3,0,0]=4 271 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Cl S637920 [0,0,0,0,0,1|3,0,0]=4 272 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O CDS000175 [0,0,0,0,0,1|3,0,0]=4 273 B12R1.21 O=C(O)CNC1=CC=C(C=C1)F T109797 [0,0,0,0,0,1|2,0,0]=3 274 B9R1.1 C(=O)C1=CC=C(C=N1)Cl CDS015696 [2,0,0,0,0,0|2,0,0]=4 275 B9R1.1 C(=O)C1=CC=C(C=N1)Cl SYX00294 [2,0,0,0,0,0|2,0,0]=4 276 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [2,0,0,0,0,0|2,0,0]=4 277 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [2,0,0,0,0,0|1,0,0]=3 278 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [2,0,0,0,0,0|0,0,1]=3 279 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [2,0,0,0,0,0|2,0,0]=4 280 B9R1.1 CSC1=CC=C(C=C1)N S418595 [2,0,0,0,0,0|2,0,0]=4 281 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [2,0,0,0,0,0|2,0,0]=4 282 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [2,0,0,0,0,0|1,0,0]=3 283 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [2,0,0,0,0,0|1,0,1]=4 284 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [2,0,0,0,0,0|1,0,0]=3 285 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [2,0,0,0,0,0|2,0,0]=4 286 B9R1.8 CNNC1=CC=CC=C1 PH012261 [2,0,0,0,0,0|1,0,0]=3 287 B11R1.1 C(=O)NNC1=CC=C(C=C1)C R751820 [1,1,0,0,0,0|1,0,0]=3 288 B11R1.1 CCCCC1=CC=C(C=C1)O CDS001507 [1,1,0,0,0,0|1,0,1]=4 289 B11R1.1 CCNCC1=CC=C(C=C1)Cl PH011023 [1,1,0,0,0,0|1,0,1]=4 290 B11R1.1 N#CCNC1=CC=C(C=C1)O S136581 [1,1,0,0,0,0|0,0,2]=4 291 B11R1.1 N#CCNC1=CC=C(C=C1)O S245933 [1,1,0,0,0,0|0,0,2]=4 292 B11R1.1 N#CCNC1=CC=C(C=C1)O S281433 [1,1,0,0,0,0|0,0,2]=4 293 B11R1.1 NC1=CC=C(C=C1)NCCO TMT00030 [1,1,0,0,0,0|1,0,1]=4 294 B11R1.1 NCCOC1=CC=C(C=C1)O PH008478 [1,1,0,0,0,0|1,0,1]=4 295 B11R1.1 O=CCCC1=CC=C(C=C1)F CDS022638 [1,1,0,0,0,0|2,0,0]=4 296 B11R1.1 O=CCCC1=CC=C(C=C1)O CDS022892 [1,1,0,0,0,0|1,0,0]=3 297 B11R1.1 O=CNNC1=CC=C(C=C1)Br PH007135 [1,1,0,0,0,0|1,0,0]=3 298 B11R1.22 CCC(N)C1=CC=C(C=C1)O CBR00896 [1,1,0,0,0,0|1,0,1]=4 299 B11R1.22 CN(C=O)C1=CC=C(C=C1)N PH009942 [1,1,0,0,0,0|1,0,0]=3 300 B11R1.81 C(=O)NC1=C(C=C(C=C1)Cl)Cl S576786 [1,1,0,0,0,0|1,0,0]=3 301 B11R1.81 CC1=C(C=CC(=C1)Br)NC=O S624586 [1,1,0,0,0,0|1,0,0]=3 302 B11R1.81 CC1=C(C=CC(=C1)Cl)NC=O S576395 [1,1,0,0,0,0|1,0,0]=3 303 B11R1.81 CC1=CC(=C(C=C1)CC=O)C PH015341 [1,1,0,0,0,0|2,0,0]=4 304 B11R1.81 O=CNC1=C(C=C(C=C1)Br)Cl S746355 [1,1,0,0,0,0|1,0,0]=3 305 B11R1.83 CCC1=CC=C(C=C1)NC=O S623113 [1,1,0,0,0,0|1,0,0]=3 306 B11R1.83 CCNC1=CC=C(C=C1)OC PH010476 [1,1,0,0,0,0|0,0,1]=3 307 B11R1.83 CNCC1=CC=C(C=C1)OC CDS003884 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.83 COC1=CC=C(C=C1)CSC S698008 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.83 COCC1=CC=C(C=C1)OC S866288 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.192 C(=O)NC1=CC(=C(C=C1)C)C S399191 [1,1,0,0,0,0|1,0,0]=3 311 B11R1.192 C(=O)NC1=CC(=C(C=C1)Cl)Cl S580163 [1,1,0,0,0,0|1,0,0]=3 312 B11R1.192 C/C=N/C1=CC(=C(C=C1)Cl)Cl R466204 [1,1,0,0,0,0|1,0,1]=4 313 B11R1.192 CC1=C(C=C(C=C1)NC=O)Cl S714062 [1,1,0,0,0,0|1,0,0]=3 314 B11R1.192 CCCC1=CC=C(C(=C1)N)O R703311 [1,1,0,0,0,0|1,0,1]=4 315 B11R1.36 C/C(=C(\C)/C1=CC=CC=C1)/Br S877883 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [1,1,0,0,0,0|1,0,0]=3 317 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [1,1,0,0,0,0|0,0,0]=2 318 B11R1.36 CC(=O)N(C)C1=CC=CN=C1 T309508 [1,1,0,0,0,0|1,0,0]=3 319 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [1,1,0,0,0,0|2,0,0]=4 320 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [1,1,0,0,0,0|2,0,0]=4 321 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [1,1,0,0,0,0|2,0,0]=4 322 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [1,1,0,0,0,0|2,0,0]=4 323 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [1,1,0,0,0,0|1,0,0]=3 324 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [1,1,0,0,0,0|1,0,1]=4 325 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [1,1,0,0,0,0|0,1,0]=3 326 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [1,1,0,0,0,0|1,0,1]=4 327 B11R1.40 CO/C(=N/C1=CC=CC=C1)/[O-] R466441 [1,1,0,0,0,0|0,0,2]=4 328 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.40 COC(=O)CC1=CC=NC=C1 PH014598 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.40 COC(=O)CC1=CN=CC=C1 S363855 [1,1,0,0,0,0|2,0,0]=4 331 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [1,1,0,0,0,0|0,0,0]=2 332 B11R1.40 COC(=O)NC1=CN=CC=C1 R427268 [1,1,0,0,0,0|1,0,0]=3 333 B11R1.40 CSC(=N)NC1=CC=CC=C1 S530859 [1,1,0,0,0,0|1,0,0]=3 334 B11R1.40 CSC(=S)NC1=CC=CC=C1 PH004233 [1,1,0,0,0,0|0,1,0]=3 335 B11R1.40 CSC(=S)NC1=CC=CC=N1 PH002652 [1,1,0,0,0,0|1,1,0]=4 336 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [1,1,0,0,0,0|0,0,0]=2 337 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [1,1,0,0,0,0|2,0,0]=4 338 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [1,1,0,0,0,0|0,0,0]=2 339 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [1,1,0,0,0,0|2,0,0]=4 340 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [1,1,0,0,0,0|1,0,0]=3 341 B11R1.86 CC(=O)CC1=C(C=CC=N1)C CBR00268 [1,1,0,0,0,0|2,0,0]=4 342 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [1,1,0,0,0,0|1,0,0]=3 343 B11R1.86 CC(=O)CC1=CC=CC=[N+]1C R433691 [1,1,0,0,0,0|2,0,0]=4 344 B11R1.86 CC(=O)C[N+]1=C(C=CC=C1)C OTV000875 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [1,1,0,0,0,0|0,0,0]=2 346 B11R1.86 CC(=O)NC1=C(C=CN=C1)O ADE000679 [1,1,0,0,0,0|1,0,0]=3 347 B11R1.86 CC(=O)NC1=C(C=NC=C1)O ADE000677 [1,1,0,0,0,0|1,0,0]=3 348 B11R1.86 CC(=O)NC1=CC=CN=C1O ADE000688 [1,1,0,0,0,0|1,0,0]=3 349 B11R1.86 CC(=O)NC1=NC=CC=C1Cl T300071 [1,1,0,0,0,0|1,0,0]=3 350 B11R1.86 CC(=O)NC1=NC=CC=C1O ADE000678 [1,1,0,0,0,0|1,0,0]=3 351 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [1,1,0,0,0,0|1,0,0]=3 352 B11R1.86 CC(=O)ON1C=CC=CC1=O T301086 [1,1,0,0,0,0|2,0,0]=4 353 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.86 CC1=CC=CC=C1NC(=O)N S435643 [1,1,0,0,0,0|1,0,0]=3 355 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [1,1,0,0,0,0|2,0,0]=4 356 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br PH011364 [1,1,0,0,0,0|1,0,0]=3 360 B11R1.86 NC(=O)NC1=CC=CC=C1Cl PH009853 [1,1,0,0,0,0|1,0,0]=3 361 B11R1.86 NC(=O)NC1=CC=CC=C1F S730572 [1,1,0,0,0,0|1,0,0]=3 362 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [1,1,0,0,0,0|2,0,0]=4 363 B11R1.86 NC1=C(C=CC=C1)CC(=O)O CDS003084 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [1,1,0,0,0,0|1,0,0]=3 365 B11R1.157 CC(=O)CC1=CC=CC(=N1)C CBR00392 [1,1,0,0,0,0|2,0,0]=4 366 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [1,1,0,0,0,0|0,0,0]=2 367 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [1,1,0,0,0,0|0,0,0]=2 368 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [1,1,0,0,0,0|0,0,0]=2 369 B11R1.157 CC(=O)NC1=CC(=CC=N1)C ADE001301 [1,1,0,0,0,0|1,0,0]=3 370 B11R1.157 CC(=O)NC1=NC(=CC=C1)C S803367 [1,1,0,0,0,0|1,0,0]=3 371 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [1,1,0,0,0,0|1,0,0]=3 372 B11R1.157 CC1=CC(=CC=C1)NC(C)C S657476 [1,1,0,0,0,0|1,0,1]=4 373 B11R1.157 NC(=O)NC1=CC(=CC=C1)I PH010485 [1,1,0,0,0,0|1,0,0]=3 374 B11R1.157 NC(=O)NC1=CC=CC(=C1)Cl S576476 [1,1,0,0,0,0|1,0,0]=3 375 B11R1.157 NC(=S)NC1=CC=CC(=C1)Cl S549614 [1,1,0,0,0,0|1,1,0]=4 376 B11R1.157 O=C([O-])CC1=CC(=CC=C1)Br S235490 [1,1,0,0,0,0|2,0,0]=4 377 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PH011646 [1,1,0,0,0,0|2,0,0]=4 378 B11R1.509 CS(=O)(=O)NC1=CC=CC=N1 T326070 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.3 C#CC1=CC=C(C=C1)C(=O)[O-] CDS000957 [0,1,0,0,1,0|2,0,0]=4 380 B11R1.3 CCC1=CC=C(C=C1)C(=O)N TMT00666 [0,1,0,0,1,0|2,0,0]=4 381 B11R1.3 COC1=CC=C(C=C1)C(=N)N CDS006449 [0,1,0,0,1,0|2,0,0]=4 382 B11R1.3 COC1=CC=C(C=C1)[Te](=O)Cl S50289 [0,1,0,0,1,0|2,0,0]=4 383 B11R1.3 COC1=NC=C(C=C1)C(=O)O CDS003134 [0,1,0,0,1,0|2,0,0]=4 384 B11R1.3 NC(=O)C1=CC=C(C=C1)CBr CDS007483 [0,1,0,0,1,0|2,0,0]=4 385 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr S283436 [0,1,0,0,1,0|2,0,0]=4 386 B11R1.3 O=C([O-])C1=CC=C(C=C1)[Hg]O S560510 [0,1,0,0,1,0|1,0,0]=3 387 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)N CDS012661 [0,1,0,0,1,0|2,0,0]=4 388 B11R1.19 C[Si](C)(C)C1=CC=C(C=C1)O S757365 [0,1,0,0,1,0|1,1,0]=4 389 B11R1.19 NS(=O)(=O)C1=CC=C(C=C1)O PH006892 [0,1,0,0,1,0|2,0,0]=4 390 B11R1.19 O=S(=O)([O-])C1=CC=C(C=C1)O S573213 [0,1,0,0,1,0|2,0,0]=4 391 B11R1.21 C=C(C)C1=CC=C(C(=C1)Cl)Cl PH007056 [0,1,0,0,1,0|2,0,0]=4 392 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N CBR02053 [0,1,0,0,1,0|1,0,0]=3 393 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [0,1,0,0,1,0|0,0,0]=2 394 B11R1.21 CC(=O)C1=CC=C(C(=C1)F)O CDS002790 [0,1,0,0,1,0|0,0,0]=2 395 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)Cl JRD0473 [0,1,0,0,1,0|1,0,0]=3 396 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)F JRD0487 [0,1,0,0,1,0|1,0,0]=3 397 B11R1.21 CC(C)C1=CC=C(C(=C1)N)O S818887 [0,1,0,0,1,0|1,0,1]=4 398 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl R436089 [0,1,0,0,1,0|2,0,0]=4 399 B11R1.21 CC1=CC(=CC=C1I)C(=O)O PH011378 [0,1,0,0,1,0|2,0,0]=4 400 B11R1.21 CC1=CC=C(C=C1Cl)C(=O)N S716782 [0,1,0,0,1,0|2,0,0]=4 401 B11R1.21 NC(=O)C1=CC(=C(C=C1)F)N CBR01657 [0,1,0,0,1,0|2,0,0]=4 402 B11R1.21 NC(=O)C1=CC=C(C(=C1)Cl)Cl PH011012 [0,1,0,0,1,0|2,0,0]=4 403 B11R1.21 NC(=S)C1=CC=C(C(=C1)O)O BOG00242 [0,1,0,0,1,0|1,1,0]=4 404 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)Cl CDS020712 [0,1,0,0,1,0|2,0,0]=4 405 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)F SYX00307 [0,1,0,0,1,0|1,0,0]=3 406 B11R1.166 CC(=O)C1=CC=C(C=C1O)Br JRD0831 [0,1,0,0,1,0|1,0,0]=3 407 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CDS015316 [0,1,0,0,1,0|1,0,0]=3 408 B11R1.166 CC(=O)C1=NC=C(C=C1F)Br ADE000139 [0,1,0,0,1,0|2,0,0]=4 409 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F CDS003230 [0,1,0,0,1,0|2,0,0]=4 410 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CDS013983 [0,1,0,0,1,0|2,0,0]=4 411 B11R1.166 NC(=O)C1=C(C=C(C=C1)N)Cl CBR00399 [0,1,0,0,1,0|2,0,0]=4 412 B11R1.166 NC(=O)C1=CC=C(C=C1N)Br BBO000418 [0,1,0,0,1,0|2,0,0]=4 413 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl BBO000415 [0,1,0,0,1,0|2,0,0]=4 414 B11R1.166 NC1=CC(=C(C=C1)C(=O)O)N CDS000040 [0,1,0,0,1,0|2,0,0]=4 415 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)[O-] S561061 [0,1,0,0,1,0|2,0,0]=4 416 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)Cl TMT00164 [0,1,0,0,1,0|1,0,0]=3 417 B11R1.166 O=C(O)C1=CC=C(C=C1F)O CDS002815 [0,1,0,0,1,0|1,0,0]=3 418 B11R1.166 O=C(O)C1=CC=C(C=C1O)S PH007026 [0,1,0,0,1,0|1,1,0]=4 419 B11R1.43 C(=O)C1=CC=C(S1)NC(=O)C L204498 [0,1,0,0,1,0|1,0,1]=4 420 B11R1.80 CC(=O)NC1=CC(=C(S1)C)C T326445 [0,1,0,0,1,0|2,0,0]=4 421 B13R1.3 CC(=O)OCC1=CC=C(C=C1)C#N BOG00136 [0,1,0,0,0,1|2,0,0]=4 422 B13R1.3 COC1=CC=C(C=C1)/C=C/C(=O)O T135062 [0,1,0,0,0,1|2,0,0]=4 423 B13R1.3 COC1=CC=C(C=C1)CCC(=O)Cl PH014654 [0,1,0,0,0,1|2,0,0]=4 424 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O S616656 [0,1,0,0,0,1|2,0,0]=4 425 B13R1.14 CC1=CC=C(C=C1)CNC(=O)CCl TMT00603 [0,1,0,0,0,1|1,0,0]=3 426 B13R1.14 CCC(=O)C=CC1=CC=C(C=C1)C S450049 [0,1,0,0,0,1|2,0,0]=4 427 B13R1.14 CNC(=O)/C=C/C1=CC=C(C=C1)Cl PH007011 [0,1,0,0,0,1|2,0,0]=4 428 B13R1.14 CNC(=O)OCC1=CC=C(C=C1)Cl PH009074 [0,1,0,0,0,1|2,0,0]=4 429 B13R1.14 CO/C(=N\NC1=CC=C(C=C1)Br)/Cl S282243 [0,1,0,0,0,1|2,0,0]=4 430 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)Br S931675 [0,1,0,0,0,1|2,0,0]=4 431 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)Cl S880671 [0,1,0,0,0,1|2,0,0]=4 432 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)O KOB0128 [0,1,0,0,0,1|1,0,0]=3 433 B13R1.14 COC(=O)COC1=CC=C(C=C1)Br EME00079 [0,1,0,0,0,1|2,0,0]=4 434 B13R1.14 COC(=O)COC1=CC=C(C=C1)Cl PH009782 [0,1,0,0,0,1|2,0,0]=4 435 B13R1.14 COC(=O)COC1=CC=C(C=C1)N CDS020172 [0,1,0,0,0,1|2,0,0]=4 436 B13R1.14 COC(=O)CSC1=CC=C(C=C1)Cl S620173 [0,1,0,0,0,1|2,0,0]=4 437 B13R1.14 O=C(CCl)NCC1=CC=C(C=C1)Cl TMT00613 [0,1,0,0,0,1|1,0,0]=3 438 B13R1.14 O=C(CCl)OCC1=CC=C(C=C1)Cl S34968 [0,1,0,0,0,1|2,0,0]=4 439 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Cl JRD0754 [0,1,0,0,0,1|2,0,0]=4 440 B13R1.132 CC(=O)NC(=O)C1=CC=C(C=C1)Cl PH009070 [0,1,0,0,0,1|1,0,0]=3 441 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)O T135879 [0,1,0,0,0,1|2,0,0]=4 442 B13R1.132 NC(=O)NC(=O)C1=CC=C(C=C1)N PH007186 [0,1,0,0,0,1|2,0,0]=4 443 B13R1.133 CC(=O)C(Cl)CC1=CC=C(C=C1)Cl S567140 [0,1,0,0,0,1|2,0,0]=4 444 B13R1.133 CC(CC1=CC=C(C=C1)O)C(=O)O PH008203 [0,1,0,0,0,1|2,0,0]=4 445 B13R1.133 NC1=CC=C(C=C1)NC(=O)C(=O)O PH010859 [0,1,0,0,0,1|2,0,0]=4 446 B13R1.164 CC(=O)/C=C/C1=C(C=C(C=C1)Cl)Cl R613541 [0,1,0,0,0,1|2,0,0]=4 447 B13R1.164 CC(=O)NNC1=C(C=C(C=C1)C)N S926396 [0,1,0,0,0,1|1,0,0]=3 448 B13R1.164 CC1=CC(=C(C=C1)NCC(=O)O)C L172472 [0,1,0,0,0,1|2,0,0]=4 449 B13R1.164 O=C(O)CNC1=CC=C(C=C1Cl)Br R822086 [0,1,0,0,0,1|2,0,0]=4 450 B13R1.511 CC(=O)/C=C/C1=CC(=C(C=C1)Cl)Cl PH003269 [0,1,0,0,0,1|2,0,0]=4 451 B13R1.511 CC(=O)OCC1=CC(=O)C(=CO1)O PH008620 [0,1,0,0,0,1|2,0,0]=4 452 B13R1.4 CS(=O)(=O)NC1=CC=C(C=C1)C#N PH011055 [0,2,0,0,0,0|2,0,0]=4 453 B13R1.5 C(=O)/C(=C/C1=CC=C(C=C1)OC)/C S941565 [0,2,0,0,0,0|1,0,0]=3 454 B13R1.5 C=CC1=CC=C(C=C1)CC(=O)OC PH008533 [0,2,0,0,0,0|2,0,0]=4 455 B13R1.5 CCC(=O)NC1=CC=C(C=C1)C#N EME00296 [0,2,0,0,0,0|1,0,0]=3 456 B13R1.5 CCC(=O)NC1=CC=C(C=C1)OC R131504 [0,2,0,0,0,0|0,0,0]=2 457 B13R1.5 CCC(=O)OC1=CC=C(C=C1)C=O PH015230 [0,2,0,0,0,0|1,0,1]=4 458 B13R1.5 CCC1=CC=C(C=C1)NC(=O)CCl S188816 [0,2,0,0,0,0|1,0,0]=3 459 B13R1.5 CCC1=CC=C(C=C1)NC(=O)CCl S678600 [0,2,0,0,0,0|1,0,0]=3 460 B13R1.5 CNC(=O)NC1=CC=C(C=C1)OC S623644 [0,2,0,0,0,0|0,0,0]=2 461 B13R1.5 CNC(=O)OC1=CC=C(C=C1)SC S791954 [0,2,0,0,0,0|1,1,0]=4 462 B13R1.5 CNC(=S)NC1=CC=C(C=C1)OC PH010048 [0,2,0,0,0,0|0,1,0]=3 463 B13R1.5 COC(=O)NC1=CC=C(C=C1)OC S640476 [0,2,0,0,0,0|0,0,0]=2 464 B13R1.5 COC1=CC=C(C=C1)NC(=O)CCl S188832 [0,2,0,0,0,0|0,0,0]=2 465 B13R1.5 COC1=CC=C(C=C1)NC(=O)CCl S380121 [0,2,0,0,0,0|0,0,0]=2 466 B13R1.5 COC1=CC=C(C=C1)NC(=O)NO S649694 [0,2,0,0,0,0|1,0,0]=3 467 B13R1.5 COC1=CC=C(C=C1)NC(=S)NN S542741 [0,2,0,0,0,0|1,1,0]=4 468 B13R1.5 COC1=CC=C(C=C1)OC(=O)CCl PH008790 [0,2,0,0,0,0|1,0,0]=3 469 B13R1.5 COC1=CN=C(N=C1)NC(=O)CCl L101591 [0,2,0,0,0,0|2,0,0]=4 470 B13R1.5 N#CC1=CC=C(C=C1)NC(=O)CCl R822892 [0,2,0,0,0,0|1,0,0]=3 471 B13R1.35 C(=O)C1=C(C=C(C=C1)OC(=O)C)Cl R539104 [0,2,0,0,0,0|1,0,1]=4 472 B13R1.35 CCC1=C(C=C(C=C1)NC(=O)C)Br S751855 [0,2,0,0,0,0|1,0,0]=3 473 B13R1.35 CCC1=C(C=C(C=C1)NC(=O)C)Cl S752126 [0,2,0,0,0,0|1,0,0]=3 474 B13R1.35 COC1=C(C=C(C=C1)NC(=O)C)Cl S941522 [0,2,0,0,0,0|0,0,0]=2 475 B13R1.35 COC1=CC=C(C=C1Br)CC(=O)O S106569 [0,2,0,0,0,0|2,0,0]=4 476 B13R1.36 COC1=CC=C(C=C1)C(Br)C(=O)O PH016225 [0,2,0,0,0,0|2,0,0]=4 477 B13R1.36 COC1=CC=C(C=C1)N(C)C(=S)C S512346 [0,2,0,0,0,0|0,1,0]=3 478 B13R1.36 COC1=CC=C(C=C1)[C@@H](N)C(=O)N OMC00018 [0,2,0,0,0,0|2,0,0]=4 479 B13R1.142 CC(=O)NC1=CC=C(C=C1)/C=N/O S572195 [0,2,0,0,0,0|0,0,0]=2 480 B13R1.142 CC(=O)NC1=CC=C(C=C1)CC#N PH010666 [0,2,0,0,0,0|1,0,0]=3 481 B13R1.142 CC(=O)OC1=CC=C(C=C1)/C=N/O PH002744 [0,2,0,0,0,0|1,0,0]=3 482 B13R1.142 CCCC1=CC=C(C=C1)CC(=O)C ASX00070 [0,2,0,0,0,0|2,0,0]=4 483 B13R1.142 CCOC1=CC=C(C=C1)NC(=N)N S862428 [0,2,0,0,0,0|2,0,0]=4 484 B13R1.142 CCOC1=CC=C(C=C1)NC(=O)N CDS021482 [0,2,0,0,0,0|1,0,0]=3 485 B13R1.142 CCOC1=CC=C(C=C1)NC(=S)N R610690 [0,2,0,0,0,0|1,1,0]=4 486 B13R1.142 CCOC1=CC=C(C=C1)NC(=S)N S205133 [0,2,0,0,0,0|1,1,0]=4 487 B13R1.142 CCOC1=CN=C(N=C1)NC(=O)C S216577 [0,2,0,0,0,0|2,0,0]=4 488 B13R1.585 CC(=O)C1=CC=C(C=C1)NC(=O)N S730688 [0,2,0,0,0,0|1,0,1]=4 489 B13R1.585 CC(=O)NC1=CC=C(C=C1)N(C)C S875422 [0,2,0,0,0,0|1,0,0]=3 490 B13R1.585 CC(=O)NC1=CC=C(C=C1)S(=O)O S436135 [0,2,0,0,0,0|0,0,0]=2 491 B13R1.585 CC(=O)NC1=CC=C(C=N1)B(O)O BML00199 [0,2,0,0,0,0|1,0,0]=3 492 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(=O)C S412341 [0,2,0,0,0,0|1,0,1]=4 493 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(=S)N BOG00005 [0,2,0,0,0,0|1,1,0]=4 494 B13R1.585 CC(=O)SC1=CC=C(C=C1)[N+](=O)[O-] S888524 [0,2,0,0,0,0|1,0,1]=4 495 B13R1.585 NC(=O)NC1=CC=C(C=C1)C(=O)O PH009934 [0,2,0,0,0,0|1,0,0]=3 496 B13R1.585 NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-] PH011650 [0,2,0,0,0,0|1,0,1]=4 497 B13R1.585 NC(=S)NC1=CC=C(C=C1)C(=O)O S194956 [0,2,0,0,0,0|1,1,0]=4 498 B13R1.585 O=C(O)CC1=CC=C(C=C1)B(O)O BML00248 [0,2,0,0,0,0|2,0,0]=4 499 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)C PH011098 [0,2,0,0,0,0|0,0,0]=2 500 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)N CDS004189 [0,2,0,0,0,0|0,0,0]=2 501 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)O S671819 [0,2,0,0,0,0|0,0,0]=2 502 B13R1.52 CCC1=C(C=CC(=C1)NC(=O)C)Br S751863 [0,2,0,0,0,0|1,0,0]=3 503 B13R1.52 COC1=C(C=CC(=C1)NC(=O)C)N R871605 [0,2,0,0,0,0|1,0,0]=3 504 B13R1.52 COC1=CC(=CC=C1F)CC(=O)C PH014745 [0,2,0,0,0,0|2,0,0]=4 505 B13R1.518 CC1=C(C=C(C=C1)NS(=O)(=O)C)C T100102 [0,2,0,0,0,0|2,0,0]=4 506 B13R1.518 CC1=CC=C(C=C1Cl)NS(=O)(=O)C PH005178 [0,2,0,0,0,0|2,0,0]=4 507 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)C)Br)C S803685 [0,2,0,0,0,0|1,0,0]=3 508 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)C)I)C L168319 [0,2,0,0,0,0|1,0,0]=3 509 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)Cl)C)O S582514 [0,2,0,0,0,0|1,0,0]=3 510 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)Cl)Cl)Cl S558389 [0,2,0,0,0,0|1,0,0]=3 511 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)I)C)C L168114 [0,2,0,0,0,0|1,0,0]=3 512 B13R1.876 CC(=O)NC1=CC(=C(C=C1Br)C)C L168262 [0,2,0,0,0,0|1,0,0]=3 513 B13R1.876 CC(=O)NC1=CC(=C(C=C1C)F)Cl PHB00099 [0,2,0,0,0,0|1,0,0]=3 514 B13R1.876 CC(=O)NC1=CC(=C(C=C1I)C)C L168475 [0,2,0,0,0,0|1,0,0]=3 515 B13R1.876 CC(=O)OC1=C(C=C(C(=C1)Cl)Cl)Cl PH009741 [0,2,0,0,0,0|2,0,0]=4 516 B13R1.876 CC(=O)OC1=CC(=C(C=C1Br)C)Br S310026 [0,2,0,0,0,0|2,0,0]=4 517 B13R1.876 NC(=O)NC1=CC(=C(C=C1Cl)Cl)Cl S764124 [0,2,0,0,0,0|2,0,0]=4 518 B13R1.2879 CC1=C(C=C(C=C1)NC(=O)C#N)C S898031 [0,2,0,0,0,0|1,0,1]=4 519 B13R1.2879 CC1=C(C=C(C=C1)NC(=O)CCl)C S391735 [0,2,0,0,0,0|1,0,0]=3 520 B13R1.2879 CC1=C(C=C(C=C1)NC(=O)CCl)Cl S746592 [0,2,0,0,0,0|1,0,0]=3 521 B13R1.2879 CC1=CC=C(C=C1Cl)NC(=O)NO S735493 [0,2,0,0,0,0|2,0,0]=4 522 B13R1.2879 CCC(=O)NC1=CC(=C(C=C1)C)Cl S790990 [0,2,0,0,0,0|1,0,0]=3 523 B13R1.2879 CNC(=O)NC1=CC(=C(C=C1)C)C S650862 [0,2,0,0,0,0|1,0,0]=3 524 B13R1.2879 CNC(=O)NC1=CC=C(C(=C1)Cl)C S646725 [0,2,0,0,0,0|1,0,0]=3 525 B13R1.2879 CNC(=O)NC1=CC=C(C(=C1)Cl)Cl S613053 [0,2,0,0,0,0|1,0,0]=3 526 B13R1.2879 CNC(=O)OC1=CC=C(C(=C1)C)Cl S891975 [0,2,0,0,0,0|2,0,0]=4 527 B13R1.2879 CNC(=O)OC1=CC=C(C(=C1)Cl)Cl S725323 [0,2,0,0,0,0|2,0,0]=4 528 B13R1.2879 COC(=O)CC1=CC(=C(C=C1)O)Cl PH003559 [0,2,0,0,0,0|1,0,0]=3 529 B13R1.2879 COC(=O)NC1=CC(=C(C=C1)C)C T168629 [0,2,0,0,0,0|1,0,0]=3 530 B13R1.2879 COC(=O)NC1=CC(=C(C=C1)C)Cl S625159 [0,2,0,0,0,0|1,0,0]=3 531 B13R1.2879 COC(=O)NC1=CC=C(C(=C1)Cl)Cl S606448 [0,2,0,0,0,0|1,0,0]=3 532 B13R1.2879 NCC(=O)NC1=CC=C(C(=C1)F)F CDS010690 [0,2,0,0,0,0|1,0,0]=3 533 B13R1.2879 O=C(CBr)NC1=CC(=C(C=C1)F)Cl R763136 [0,2,0,0,0,0|1,0,0]=3 534 B13R1.2879 O=C(CCl)NC1=CC(=C(C=C1)Cl)Cl S188921 [0,2,0,0,0,0|1,0,0]=3 535 B13R1.2879 O=C(CCl)NC1=CC(=C(C=C1)Cl)Cl S746584 [0,2,0,0,0,0|1,0,0]=3 536 B13R1.2879 O=C(CCl)NC1=CC=C(C(=C1)Cl)F JRD0742 [0,2,0,0,0,0|1,0,0]=3 537 B13R1.2879 O=C(CCl)NC1=CC=C(C(=C1)Cl)F TMT00145 [0,2,0,0,0,0|1,0,0]=3 538 B13R1.3528 CC(=O)NC1=C(C(=C(C=C1)Br)C)C L168130 [0,2,0,0,0,0|1,0,0]=3 539 B13R1.3528 CC(=O)NC1=C(C(=C(C=C1)C)Br)C S931926 [0,2,0,0,0,0|1,0,0]=3 540 B13R1.3528 CC(=O)NC1=C(C(=C(C=C1)Cl)Cl)Cl S558451 [0,2,0,0,0,0|1,0,0]=3 541 B13R1.3528 CC(=O)NC1=CC=C(C(=C1C)C)I L168181 [0,2,0,0,0,0|1,0,0]=3 542 B13R1.3763 CC(=O)NC1=CC(=C(C(=C1)C)Br)C L168122 [0,2,0,0,0,0|1,0,0]=3 543 B13R1.3763 CC(=O)NC1=CC(=C(C(=C1)F)F)F ANV00338 [0,2,0,0,0,0|1,0,0]=3 544 B13R1.3763 CC(=O)OC1=CC(=C(C(=C1)Br)C)Br S309982 [0,2,0,0,0,0|2,0,0]=4 545 B13R1.3763 CC(=O)OC1=CC(=C(C(=C1)Br)C)Br S322679 [0,2,0,0,0,0|2,0,0]=4 546 B13R1.21 CN(C(=O)CCl)C1=CC=C(C=C1)F TMT00604 [0,2,0,0,0,0|1,0,0]=3 547 B13R1.21 COC(=O)C(Cl)C1=CC=C(C=C1)F PH014958 [0,2,0,0,0,0|2,0,0]=4 548 B13R1.706 CC(=O)C(C#N)C1=CC=C(C=C1)Cl TMT00640 [0,2,0,0,0,0|2,0,0]=4 549 B13R1.19 C/C=C/C(=O)NC1=CC=C(C=C1)Br S718157 [0,2,0,0,0,0|1,0,0]=3 550 B13R1.19 C/C=C/C(=O)NC1=CC=C(C=C1)C S659401 [0,2,0,0,0,0|1,0,0]=3 551 B13R1.19 CC1=CC=C(C=C1)NC(=O)/C=N/O L449466 [0,2,0,0,0,0|1,0,1]=4 552 B13R1.19 CC1=CC=C(C=C1)NC(=O)CCO S652881 [0,2,0,0,0,0|1,0,0]=3 553 B13R1.19 CC1=CC=C(C=C1)NC(=O)CCS S363057 [0,2,0,0,0,0|1,0,0]=3 554 B13R1.19 CCCC(=O)CC1=CC=C(C=C1)Cl ASX00033 [0,2,0,0,0,0|2,0,0]=4 555 B13R1.19 CCCC(=O)NC1=CC=C(C=C1)C R343293 [0,2,0,0,0,0|1,0,0]=3 556 B13R1.19 CCCC(=O)NC1=CC=C(C=C1)N R703184 [0,2,0,0,0,0|1,0,0]=3 557 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)Br S628255 [0,2,0,0,0,0|1,0,0]=3 558 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)C S644285 [0,2,0,0,0,0|1,0,0]=3 559 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)Cl S279846 [0,2,0,0,0,0|1,0,0]=3 560 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)Cl S591521 [0,2,0,0,0,0|1,0,0]=3 561 B13R1.19 CCNC(=O)OC1=CC=C(C=C1)C S690589 [0,2,0,0,0,0|2,0,0]=4 562 B13R1.19 CCNC(=S)NC1=CC=C(C=C1)Br TMT00107 [0,2,0,0,0,0|1,1,0]=4 563 B13R1.19 CCNC(=S)NC1=CC=C(C=C1)C S553816 [0,2,0,0,0,0|1,1,0]=4 564 B13R1.19 CCNC(=S)NC1=CC=C(C=C1)F TMT00076 [0,2,0,0,0,0|1,1,0]=4 565 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)Cl S668745 [0,2,0,0,0,0|2,0,0]=4 566 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)N PH009742 [0,2,0,0,0,0|2,0,0]=4 567 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)O PH011119 [0,2,0,0,0,0|1,0,0]=3 568 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)Br S666599 [0,2,0,0,0,0|1,0,0]=3 569 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)C S643963 [0,2,0,0,0,0|1,0,0]=3 570 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)Cl S361577 [0,2,0,0,0,0|1,0,0]=3 571 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)N CBR00185 [0,2,0,0,0,0|1,0,0]=3 572 B13R1.19 CCOC(=O)OC1=CC=C(C=C1)Cl PH008708 [0,2,0,0,0,0|2,0,0]=4 573 B13R1.19 CONC(=O)NC1=CC=C(C=C1)Cl PH008685 [0,2,0,0,0,0|1,0,0]=3 574 B13R1.19 N#CCC(=O)NC1=CC=C(C=C1)F R613843 [0,2,0,0,0,0|1,0,0]=3 575 B13R1.19 N#CNC(=O)NC1=CC=C(C=C1)Cl S856533 [0,2,0,0,0,0|1,0,1]=4 576 B13R1.19 O=C(CCCl)NC1=CC=C(C=C1)F S529540 [0,2,0,0,0,0|1,0,0]=3 577 B13R1.2679 CC1=C(C=CC(=C1)Br)NC(=O)CCl S878456 [0,2,0,0,0,0|1,0,0]=3 578 B13R1.2679 CC1=C(C=CC(=C1)Cl)NC(=O)CCl S378097 [0,2,0,0,0,0|1,0,0]=3 579 B13R1.2679 CC1=CC(=C(C=C1)NC(=O)CCl)Br R703680 [0,2,0,0,0,0|1,0,0]=3 580 B13R1.2679 CC1=CC(=C(C=C1)NC(=O)CCl)C R590169 [0,2,0,0,0,0|1,0,0]=3 581 B13R1.2679 CC1=CC(=C(C=C1)NC(=O)CCl)Cl TMT00602 [0,2,0,0,0,0|1,0,0]=3 582 B13R1.2679 CC1=CC(=C(C=C1)NC(=O)CI)C L172650 [0,2,0,0,0,0|1,0,0]=3 583 B13R1.2679 CC1=CC=C(C(=C1)C)NC(=O)NN S924512 [0,2,0,0,0,0|2,0,0]=4 584 B13R1.2679 CCC(=O)NC1=C(C=C(C=C1)C)C S890308 [0,2,0,0,0,0|1,0,0]=3 585 B13R1.2679 CCC(=O)NC1=C(C=C(C=C1)Cl)C S772763 [0,2,0,0,0,0|1,0,0]=3 586 B13R1.2679 CNC(=O)NC1=C(C=C(C=C1)C)C S606782 [0,2,0,0,0,0|1,0,0]=3 587 B13R1.2679 CNC(=O)NC1=CC=C(C=C1C)Cl S638129 [0,2,0,0,0,0|1,0,0]=3 588 B13R1.2679 CNC(=O)NC1=CC=C(C=C1Cl)Cl S613517 [0,2,0,0,0,0|1,0,0]=3 589 B13R1.2679 CNC(=O)OC1=CC=C(C=C1Br)Br S867209 [0,2,0,0,0,0|2,0,0]=4 590 B13R1.2679 CNC(=O)OC1=CC=C(C=C1Cl)Cl S724378 [0,2,0,0,0,0|2,0,0]=4 591 B13R1.2679 CNC(=S)NC1=C(C=C(C=C1)C)C PH011678 [0,2,0,0,0,0|1,1,0]=4 592 B13R1.2679 COC(=O)CC1=C(C=C(C=C1)F)Cl TMT00408 [0,2,0,0,0,0|2,0,0]=4 593 B13R1.2679 COC(=O)NC1=C(C=C(C=C1)C)C S606839 [0,2,0,0,0,0|1,0,0]=3 594 B13R1.2679 COC(=O)NC1=C(C=C(C=C1)Cl)C S625272 [0,2,0,0,0,0|1,0,0]=3 595 B13R1.2679 COC(=O)NC1=C(C=C(C=C1)Cl)Cl S612839 [0,2,0,0,0,0|1,0,0]=3 596 B13R1.2679 COC(=O)OC1=CC=C(C=C1Cl)F PH016916 [0,2,0,0,0,0|2,0,0]=4 597 B13R1.2679 O=C(CCl)NC1=C(C=C(C=C1)Br)F TMT00589 [0,2,0,0,0,0|1,0,0]=3 598 B13R1.2679 O=C(CCl)NC1=C(C=C(C=C1)Cl)Cl S385301 [0,2,0,0,0,0|1,0,0]=3 599 B13R1.2679 O=C(CCl)NC1=CC=C(C=C1Cl)Br S921467 [0,2,0,0,0,0|1,0,0]=3 600 B13R1.2679 O=C(CCl)NC1=CC=C(C=C1O)O PH008556 [0,2,0,0,0,0|0,0,0]=2 601 B13R1.2679 O=C(CCl)OC1=CC=C(C=C1Cl)Cl PH008786 [0,2,0,0,0,0|2,0,0]=4 602 B13R1.2679 O=C(NO)NC1=CC=C(C=C1Cl)Cl S647268 [0,2,0,0,0,0|2,0,0]=4 603 B13R1.883 CC1=CC(=C(C=C1)NS(=O)(=O)C)C S514004 [0,2,0,0,0,0|2,0,0]=4 604 B13R1.883 CC1=CC(=C(C=C1)NS(=O)(=O)C)Cl T100005 [0,2,0,0,0,0|2,0,0]=4 605 B13R1.883 CS(=O)(=O)NC1=C(C=C(C=C1)Cl)Cl T100188 [0,2,0,0,0,0|2,0,0]=4 606 B13R1.51 CCC1=C(C=CC(=C1)Br)NC(=O)C S309591 [0,2,0,0,0,0|1,0,0]=3 607 B13R1.2808 CC(=O)NC1=C(C=C(C=C1C)Br)C L168351 [0,2,0,0,0,0|1,0,0]=3 608 B13R1.2808 CC(=O)NC1=C(C=C(C=C1C)C)C T118427 [0,2,0,0,0,0|1,0,0]=3 609 B13R1.2808 CC(=O)NC1=C(C=C(C=C1Cl)Cl)Cl S715417 [0,2,0,0,0,0|1,0,0]=3 610 B13R1.2808 CC(=O)NC1=C(C=C(C=C1Cl)N)Cl S373052 [0,2,0,0,0,0|1,0,0]=3 611 B13R1.2808 CC(=O)OC1=C(C=C(C=C1Br)C)Br PH004317 [0,2,0,0,0,0|2,0,0]=4 612 B13R1.2808 CC(=O)OC1=C(C=C(C=C1C)Br)C OTV000040 [0,2,0,0,0,0|2,0,0]=4 613 B13R1.2808 CC(=O)OC1=C(C=C(C=C1Cl)Cl)Cl T331015 [0,2,0,0,0,0|2,0,0]=4 614 B13R1.2808 CC1=CC(=C(C(=C1)C)NC(=O)N)C S677655 [0,2,0,0,0,0|2,0,0]=4 615 B11R1.159 CC(=O)C1=CC=CC(=C1N)O CDS000114 [0,0,1,1,0,0|2,0,0]=4 616 B11R2.36 CC1=CC2=C(C=C1)NCC2 CDS000231 [1,0,0,1,0,0|1,0,1]=4 617 B11R2.36 ClC1=CC2=C(C=C1)NCC2 CDS003126 [1,0,0,1,0,0|1,0,1]=4 618 B11R2.36 FC1=CC2=C(C=C1)NCC2 CDS005250 [1,0,0,1,0,0|1,0,1]=4 619 B11R2.36 FC1=CC=C2NC=NC2=C1 CDS008386 [1,0,0,1,0,0|2,0,0]=4 620 B11R2.36 NC1=CC2=C(C=C1)NC=N2 CDS003539 [1,0,0,1,0,0|2,0,0]=4 621 B11R2.36 NC1=CC=C2NCCC2=C1 CDS019734 [1,0,0,1,0,0|1,0,1]=4 622 B11R2.36 OC1=CC=C2NC=NC2=C1 CBR02476 [1,0,0,1,0,0|1,0,0]=3 623 B11R2.36 OC1=CN=C2NC=CC2=C1 ADE000886 [1,0,0,1,0,0|1,0,1]=4 624 B11R2.10 CC1=NC2=CC=CN=C2N1 CBR01690 [1,0,0,1,0,0|2,0,0]=4 625 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [1,0,0,1,0,0|1,0,0]=3 626 B11R2.10 O=C1NC2=NC=CC=C2O1 CDS005683 [1,0,0,1,0,0|2,0,0]=4 627 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [1,0,0,1,0,0|1,0,1]=4 628 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [1,0,0,1,0,0|1,0,1]=4 629 B13R2.155 O=C1COC2=CC=C(C=C2N1)O OTV000751 [0,0,0,1,0,1|2,0,0]=4 630 B13R2.2121 COC1=CC2=C(C=C1)OC(=N2)C S986259 [0,1,0,1,0,0|2,0,0]=4 631 B13R2.3050 CC1=CC2=C(C(=CC=C2N1)O)F CDS009038 [0,1,0,1,0,0|1,0,0]=3 632 B13R2.13083 CC1=C(C=C2OC(=O)NC2=C1)C JRD0588 [0,1,0,1,0,0|2,0,0]=4 633 B13R2.13083 NC1=CC2=C(C=C1N)NC(=O)N2 CBR00196 [0,1,0,1,0,0|2,0,0]=4 634 B13R2.13083 O=C1CC2=CC(=C(C=C2N1)Cl)F PH000521 [0,1,0,1,0,0|1,0,0]=3 635 B13R2.13083 O=C1CC2=CC(=C(C=C2N1)F)F PH011279 [0,1,0,1,0,0|1,0,0]=3 636 B13R2.13083 O=C1NC2=C(N1)C=C(C(=C2)Cl)Cl PH010069 [0,1,0,1,0,0|2,0,0]=4 637 B13R2.13083 O=C1NC2=C(O1)C=C(C(=C2)Cl)Br PH004305 [0,1,0,1,0,0|2,0,0]=4 638 B13R2.13083 O=C1NC2=CC(=C(C=C2O1)Cl)Cl PH004238 [0,1,0,1,0,0|2,0,0]=4 639 B13R2.5190 CC1=NC2=C(N1C)C=CC(=C2)Cl PH003360 [0,1,0,1,0,0|2,0,0]=4 640 B13R2.5190 CN1C(=O)CC2=C1C=CC(=C2)Cl PH009430 [0,1,0,1,0,0|1,0,0]=3 641 B13R2.5190 CN1C(=O)CC2=C1C=CC(=C2)O PH010625 [0,1,0,1,0,0|0,0,0]=2 642 B13R2.43 CC1=CC2=C(C=C1)NC(=C2)CN CDS002244 [0,1,0,1,0,0|2,0,0]=4 643 B13R2.43 CC1=CC=C2NC(=NC2=C1)CN CBR00627 [0,1,0,1,0,0|2,0,0]=4 644 B13R2.43 NC1=CC=C2NC(=NC2=C1)CO CBR01448 [0,1,0,1,0,0|2,0,0]=4 645 B13R2.43 NCC1=NC2=C(N1)C=CC(=C2)Cl PH019118 [0,1,0,1,0,0|2,0,0]=4 646 B13R2.43 NCC1=NC2=CC(=CC=C2N1)Cl CDS006508 [0,1,0,1,0,0|2,0,0]=4 647 B13R2.43 NCC1=NC2=CC(=CC=C2N1)F CDS023886 [0,1,0,1,0,0|2,0,0]=4 648 B13R2.43 OCC1=NC2=C(N1)C=CC(=C2)Cl CBR01079 [0,1,0,1,0,0|2,0,0]=4 649 B13R2.43 OCC1=NC2=C(N1)C=CC(=C2)F CBR00282 [0,1,0,1,0,0|2,0,0]=4 650 B13R2.3028 N1C(=C(C2=C1C=CC(=C2)N)C)C S428590 [0,1,0,1,0,0|2,0,0]=4 651 B13R2.3028 NC1C(=O)NC2=CC=C(C=C12)F CBR02325 [0,1,0,1,0,0|1,0,0]=3 652 B13R2.3028 O=C1NC2=C(C1O)C=C(C=C2)Br PH011113 [0,1,0,1,0,0|1,0,0]=3 653 B13R2.3683 CC1=CC=C2OC(=O)CCC2=C1 IDF00001 [0,1,0,1,0,0|2,0,0]=4 654 B13R2.3683 CC1=CC=C2SC(=O)CCC2=C1 IDF00008 [0,1,0,1,0,0|2,0,0]=4 655 B13R2.3683 CC1=CN=C2NC(=O)CCC2=C1 ADE000851 [0,1,0,1,0,0|2,0,0]=4 656 B13R2.3683 O=C1C=CC2=CC(=CC=C2N1)Br CDS006965 [0,1,0,1,0,0|1,0,1]=4 657 B13R2.3683 O=C1C=CC2=CC(=CC=C2N1)O CDS004847 [0,1,0,1,0,0|0,0,1]=3 658 B13R2.3683 O=C1CCC2=CC(=CC=C2O1)Br PH010437 [0,1,0,1,0,0|2,0,0]=4 659 B13R2.3683 O=C1CCC2=CC(=CC=C2S1)Cl IDF00017 [0,1,0,1,0,0|2,0,0]=4 660 B13R2.3683 O=C1CCC2=CC(=CN=C2N1)F ADE000853 [0,1,0,1,0,0|2,0,0]=4 661 B13R2.3683 O=C1COC2=CC(=CC=C2N1)O OTV000448 [0,1,0,1,0,0|0,0,0]=2 662 B13R2.3683 O=C1COC2=NC(=CC=C2N1)I ADE001264 [0,1,0,1,0,0|2,0,0]=4 663 B13R2.3683 O=C1CSC2=CC(=CC=C2N1)F JRD0648 [0,1,0,1,0,0|1,0,0]=3 664 B13R2.3683 O=C1NC2=CC=C(C=C2CO1)Br PHB00124 [0,1,0,1,0,0|1,0,0]=3 665 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [1,0,0,0,1,0|0,1,1]=4 666 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [1,0,0,0,1,0|2,0,0]=4 667 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [1,0,0,0,1,0|2,0,0]=4 668 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [1,0,0,0,1,0|2,0,0]=4 669 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [1,0,0,0,1,0|2,0,0]=4 670 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [1,0,0,0,1,0|2,0,0]=4 671 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [1,0,0,0,1,0|2,0,0]=4 672 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [1,0,0,0,1,0|1,0,0]=3 673 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [1,0,0,0,1,0|2,0,0]=4 674 B9R1.13 CC(=O)CC1=CC=CO1 CDS001522 [1,0,0,0,1,0|2,0,0]=4 675 B9R1.13 CC(=O)NC1=CSC=C1 S943886 [1,0,0,0,1,0|1,0,0]=3 676 B9R1.35 CC(=O)C1=CC=C(S1)C S552038 [0,0,0,0,2,0|2,0,0]=4 677 B9R1.35 CC(=O)C1=CSC(=C1)Cl PHB00060 [0,0,0,0,2,0|2,0,0]=4 678 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [1,0,0,0,0,1|2,0,0]=4 679 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [1,0,0,0,0,1|1,0,0]=3 680 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [1,0,0,0,0,1|2,0,0]=4 681 B11R1.91 C=C(Cl)CNC1=CC=CC=C1 PH010554 [1,0,0,0,0,1|1,0,1]=4 682 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [1,0,0,0,0,1|1,0,0]=3 683 B11R1.91 CC(=O)NCC1=NC=CC=C1 EME00285 [1,0,0,0,0,1|1,0,0]=3 684 B11R1.91 CC(=O)OCC1=CC=NC=C1 PH011000 [1,0,0,0,0,1|2,0,0]=4 685 B11R1.91 CC(C)NCC1=CC=CC=C1 S633151 [1,0,0,0,0,1|1,0,1]=4 686 B11R1.91 CC(C)NCC1=CC=CC=C1 S696668 [1,0,0,0,0,1|1,0,1]=4 687 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [1,0,0,0,0,1|2,0,0]=4 688 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [1,0,0,0,0,1|1,0,0]=3 689 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [1,0,0,0,0,1|2,0,0]=4 690 B11R1.91 NC(=S)NCC1=CC=CC=C1 S385816 [1,0,0,0,0,1|1,1,0]=4 691 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [1,0,0,0,0,1|2,0,0]=4 692 B11R1.91 O=C(O)CNC1=NC=CC=C1 R411434 [1,0,0,0,0,1|2,0,0]=4 693 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [1,0,0,0,0,1|2,0,0]=4 694 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [1,0,0,0,0,1|2,0,0]=4 695 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 S631582 [1,0,0,0,0,1|2,0,0]=4 696 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [1,0,0,0,0,1|2,0,0]=4 697 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [1,0,0,0,0,1|2,0,0]=4 698 B13R1.513 CC(=O)N/N=C/C1=CC=C(C=C1)C R709700 [0,0,0,0,0,2|1,0,0]=3 699 B13R1.513 CC(=O)N/N=C/C1=CC=C(C=C1)Cl R709999 [0,0,0,0,0,2|1,0,0]=3 700 B13R1.513 CC(=O)N/N=C/C1=CC=C(C=C1)O R749648 [0,0,0,0,0,2|0,0,0]=2 701 B13R1.513 CC1=CC=C(C=C1)/C=N/NC(=O)N R697982 [0,0,0,0,0,2|2,0,0]=4 702 B13R1.513 NC(=O)N/N=C/C1=CC=C(C=C1)Cl R697532 [0,0,0,0,0,2|2,0,0]=4 703 B13R1.513 NC(=O)N/N=C/C1=CC=C(C=C1)O R699055 [0,0,0,0,0,2|1,0,0]=3 704 B13R1.513 NC(=S)N/N=C/C1=CC=C(C=C1)O R699101 [0,0,0,0,0,2|1,1,0]=4