0 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 A50667 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.3 C#CC1=NC=C(C(=O)O)C=C1 P18107 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 AC1342 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 CL9316 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.3 CC(=O)C1=NC=C(C#N)C=C1 W17133 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 D81145 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 Y13670 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 S10908 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.3 CCC1=NC=C(B(O)O)C=C1 FD10251 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.3 CCC1=NC=C(C(=O)O)C=C1 W10833 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.3 CCC1=NC=C(C(=O)O)C=N1 69207 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.3 CCC1=NC=C(C(=O)O)C=N1 C80031 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.3 CCC1=NC=C(C(C)=O)C=N1 D81149 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.3 CNC1=CC=C(C(C)C)C=C1 D95133 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.3 CNC1=NC=C(C(=O)O)C=N1 H10198 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 C72879 [0,0,0,0,0,0|1,0,1]=2 16 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 C72977 [0,0,0,0,0,0|1,0,1]=2 17 B11R1.3 COC1=CN=C(C(=N)N)C=C1 66227 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.3 COC1=CN=C(C(=O)O)N=C1 72368 [0,0,0,0,0,0|2,0,0]=2 19 B11R1.3 COC1=CN=C(C(C)=O)C=N1 S10058 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.3 COC1=CN=C(C(C)=O)N=C1 97279 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.3 COC1=NC=C(C(C)=O)C=N1 C71224 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 Y13388 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.3 COC1=NC=C([N+](=O)[O-])C=N1 25362 [0,0,0,0,0,0|3,0,1]=4 24 B11R1.3 COC1=NN=C(C(=O)O)C=C1 P10767 [0,0,0,0,0,0|2,0,0]=2 25 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 AT20995 [0,0,0,0,0,0|2,1,1]=4 26 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 AT20996 [0,0,0,0,0,0|2,1,1]=4 27 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 D81124 [0,0,0,0,0,0|2,1,1]=4 28 B11R1.3 CSC1=NC=C(B(O)O)C=C1 FD10014 [0,0,0,0,0,0|2,1,1]=4 29 B11R1.3 C[C@H](O)C1=CC=C(C#N)C=C1 C13986 [0,0,0,0,0,0|3,0,1]=4 30 B11R1.3 C[S@](=O)C1=CC=C(C#N)C=C1 W16291 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.3 C[S@](=O)C1=CC=C(CN)C=C1 AR2414 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.3 N#CC1=CN=C(C(=O)O)C=N1 O11418 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.3 N#CC1=CN=C(C(=O)O)N=C1 55103 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.3 N#CC1=NC=C(C(=O)O)C=N1 38471 [0,0,0,0,0,0|4,0,0]=4 35 B11R1.3 N=C(N)C1=CC=C(C=O)C=C1 F58592 [0,0,0,0,0,0|4,0,0]=4 36 B11R1.3 NC(=O)C1=CC=C(CO)C=C1 D82598 [0,0,0,0,0,0|3,0,0]=3 37 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 W15750 [0,0,0,0,0,0|3,0,0]=3 38 B11R1.3 NCC1=CN=C(C(=O)O)C=C1 N14194 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.3 NCC1=NC=C(C(=O)O)C=C1 51960 [0,0,0,0,0,0|3,0,0]=3 40 B11R1.3 NNC1=CC=C(C(N)=O)C=C1 11076 [0,0,0,0,0,0|3,0,0]=3 41 B11R1.3 NNC1=CC=C([N+](=O)[O-])C=C1 73838 [0,0,0,0,0,0|3,0,1]=4 42 B11R1.3 NOC1=CC=C([N+](=O)[O-])C=C1 O12033 [0,0,0,0,0,0|2,0,1]=3 43 B11R1.3 O=C(O)C1=CN=C(CO)C=C1 P18087 [0,0,0,0,0,0|3,0,0]=3 44 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 C75020 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.3 C#CC1=CN=C(C=O)C=C1 51748 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.3 C#CC1=NC=C(OC)C=C1 D84302 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.3 C=CC1=CC=C(CO)C=C1 F14590 [1,0,0,0,0,0|1,0,2]=4 48 B10R1.3 CNC1=CC=C(C=O)C=C1 D93507 [1,0,0,0,0,0|1,0,0]=2 49 B10R1.3 CNC1=CC=C(CO)C=C1 20987 [1,0,0,0,0,0|1,0,1]=3 50 B10R1.3 CNC1=NC=C(C=O)C=C1 P10732 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.3 COC1=CN=C(C=O)C=N1 P10975 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.3 COC1=CN=C(CBr)C=C1 O10508 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.3 COC1=CN=C(CCl)C=C1 81763 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.3 COC1=CN=C(CN)C=C1 AC7188 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.3 COC1=CN=C(CO)N=C1 F30447 [1,0,0,0,0,0|2,0,1]=4 56 B10R1.3 COC1=NC=C(CCl)C=C1 82159 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.3 COC1=NC=C(CN)C=C1 C73256 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.3 COC1=NC=C(CO)C=N1 P11192 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.3 COC1=NC=C(CO)N=C1 F30445 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.3 COC1=NC=C(NN)C=C1 F13050 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.3 COC1=NN=C(CO)C=C1 P11745 [1,0,0,0,0,0|2,0,1]=4 62 B10R1.3 CSC1=CC=C(NN)C=C1 79686 [1,0,0,0,0,0|2,1,0]=4 63 B10R1.3 CSC1=NC=C(C=O)C=N1 P10273 [1,0,0,0,0,0|2,1,0]=4 64 B10R1.3 N#CC1=CN=C(C=O)C=C1 26613 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.3 O=CC1=CC=C(CCl)C=C1 CL9238 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.3 O=CC1=CN=C(C=O)C=C1 D80964 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.13 C=C(C)C1=CC=C(I)C=C1 AC1339 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 AC7918 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.13 CC(=O)C1=CN=C(O)N=C1 F13147 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.13 CC(=O)C1=NC=C(C)C=N1 79366 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.13 CC(=O)C1=NC=C(C)N=C1 56571 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.13 CC(=O)C1=NC=C(N)C=C1 D94999 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.13 CC(=O)C1=NC=C(O)C=C1 53717 [1,0,0,0,0,0|2,0,0]=3 74 B10R1.13 CC(=O)C1=NC=C(O)N=C1 C71512 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.13 CC(C)C1=CC=C(O)C=C1 D72532 [1,0,0,0,0,0|2,0,1]=4 76 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 20068 [1,0,0,0,0,0|2,0,1]=4 77 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 Y14023 [1,0,0,0,0,0|2,0,1]=4 78 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 W19044 [1,0,0,0,0,0|1,0,1]=3 79 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 97006 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 A11173 [1,0,0,0,0,0|2,0,0]=3 81 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 T73083 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.13 CC1=CCC(C(=O)O)=CC1 A12608 [1,0,0,0,0,0|0,0,2]=3 83 B10R1.13 CC1=CN=C(C(=O)O)N=C1 RB3298 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.13 CC1=CN=C([C@H](C)O)C=C1 AB7629 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y10879 [1,0,0,0,0,0|2,0,1]=4 86 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y14795 [1,0,0,0,0,0|2,0,1]=4 87 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1272 [1,0,0,0,0,0|2,0,1]=4 88 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1278 [1,0,0,0,0,0|2,0,1]=4 89 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 25877 [1,0,0,0,0,0|1,0,1]=3 90 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 W16706 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.13 N=C(N)C1=CC=C(N)C=C1 56135 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.13 NC(=O)C1=CN=C(O)C=C1 C74893 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.13 NC(=O)C1=CN=C(O)N=C1 F13438 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.13 NC(=O)C1=NC=C(N)C=C1 25630 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 A11465 [1,0,0,0,0,0|1,0,1]=3 96 B10R1.13 NC1=CN=C(C(=O)O)N=C1 P10377 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.13 O=C(O)C1=CN=C(Br)N=C1 F11671 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.13 O=C(O)C1=CN=C(F)C=N1 70428 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.13 O=C(O)C1=NC=C(F)C=N1 38641 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.13 O=C(O)C1=NC=C(I)C=C1 O11456 [1,0,0,0,0,0|2,0,0]=3 101 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 P10335 [1,0,0,0,0,0|3,0,0]=4 102 B10R1.13 O=C(O)C1=NN=C(O)C=C1 C73877 [1,0,0,0,0,0|2,0,0]=3 103 B10R1.13 O=C1N=CC(C(=O)O)=CN1 P13001 [1,0,0,0,0,0|2,0,1]=4 104 B12R1.5 C#CC1=NC=C(C(=O)OC)C=C1 F19828 [0,1,0,0,0,0|2,0,1]=4 105 B12R1.5 CCC1=CC=C(C(=O)CCl)C=C1 W16149 [0,1,0,0,0,0|2,0,0]=3 106 B12R1.5 CCC1=NC=C(C(=O)OC)C=N1 60093 [0,1,0,0,0,0|3,0,0]=4 107 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 N10942 [0,1,0,0,0,0|2,0,1]=4 108 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 Y10277 [0,1,0,0,0,0|2,0,1]=4 109 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 Y10898 [0,1,0,0,0,0|2,0,1]=4 110 B12R1.5 CNC(=O)C1=CC=C(OC)C=C1 C74747 [0,1,0,0,0,0|1,0,0]=2 111 B12R1.5 CNC1=NN=C(C(=O)OC)C=C1 AC2454 [0,1,0,0,0,0|3,0,0]=4 112 B12R1.5 COC(=O)C1=CC=C(NN)C=C1 AB9723 [0,1,0,0,0,0|2,0,0]=3 113 B12R1.5 COC(=O)C1=CN=C(C#N)C=C1 87748 [0,1,0,0,0,0|3,0,0]=4 114 B12R1.5 COC(=O)C1=CN=C(CBr)C=C1 57139 [0,1,0,0,0,0|3,0,0]=4 115 B12R1.5 COC(=O)C1=CN=C(CCl)C=C1 94419 [0,1,0,0,0,0|3,0,0]=4 116 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 FD7395 [0,1,0,0,0,0|3,0,0]=4 117 B12R1.5 COC(=O)C1=NC=C(C=O)C=C1 68601 [0,1,0,0,0,0|3,0,0]=4 118 B12R1.5 COC(=O)C1=NC=C(CO)C=C1 90186 [0,1,0,0,0,0|3,0,0]=4 119 B12R1.5 COC(=O)C1=NC=C(OC)C=C1 P11291 [0,1,0,0,0,0|1,0,0]=2 120 B12R1.5 COC(=O)C1=NC=C(OC)C=N1 F52806 [0,1,0,0,0,0|2,0,0]=3 121 B12R1.5 COC(=O)C1=NC=C(OC)N=C1 RB3230 [0,1,0,0,0,0|2,0,0]=3 122 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 Y11290 [0,1,0,0,0,0|0,0,1]=2 123 B12R1.5 COC1=CC=C(C(=S)NN)C=C1 W10977 [0,1,0,0,0,0|1,1,0]=3 124 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 N10529 [0,1,0,0,0,0|1,0,1]=3 125 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 N11095 [0,1,0,0,0,0|1,0,1]=3 126 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 Y10338 [0,1,0,0,0,0|1,0,1]=3 127 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 Y10646 [0,1,0,0,0,0|1,0,1]=3 128 B12R1.5 COC1=NC=C(C(=N)NO)C=C1 79078 [0,1,0,0,0,0|2,0,0]=3 129 B12R1.5 COC1=NC=C([C@@H](N)CO)C=C1 N11112 [0,1,0,0,0,0|2,0,1]=4 130 B12R1.5 COC1=NC=C([C@@H](N)CO)C=C1 N11113 [0,1,0,0,0,0|2,0,1]=4 131 B12R1.5 COC1=NC=C([C@@H](N)CO)C=C1 Y11041 [0,1,0,0,0,0|2,0,1]=4 132 B12R1.5 N#CC1=CC=C(C(=O)CO)C=C1 AC6010 [0,1,0,0,0,0|2,0,0]=3 133 B12R1.6 CNC1=CC=C(S(N)(=O)=O)C=C1 AT23136 [0,1,0,0,0,0|2,0,1]=4 134 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 N11053 [0,1,0,0,0,0|2,0,1]=4 135 B12R1.6 COC1=CC=C(P(=O)(O)O)C=C1 T72088 [0,1,0,0,0,0|1,0,0]=2 136 B12R1.6 O=CC1=CC=C(S(=O)(=O)O)C=C1 79124 [0,1,0,0,0,0|3,0,0]=4 137 B12R1.48 C#CC1=C(C)C=C(C(=O)O)C=C1 C72433 [0,1,0,0,0,0|1,0,1]=3 138 B12R1.48 CC(=O)C1=CC(C)=C(C#N)C=C1 34118 [0,1,0,0,0,0|3,0,0]=4 139 B12R1.48 CCC1=C(Br)C=C(C(=O)O)C=C1 C77389 [0,1,0,0,0,0|1,0,0]=2 140 B12R1.48 CCC1=C(Br)C=C([N+](=O)[O-])C=C1 27929 [0,1,0,0,0,0|2,0,1]=4 141 B12R1.48 CCC1=C(F)C=C(C(=O)O)C=C1 36886 [0,1,0,0,0,0|1,0,0]=2 142 B12R1.48 CCN1C=CC(C(=O)O)=CC1=O C71409 [0,1,0,0,0,0|2,0,0]=3 143 B12R1.48 CNC1=C(C)C=C([N+](=O)[O-])C=C1 C71178 [0,1,0,0,0,0|2,0,1]=4 144 B12R1.48 CNC1=C(N)C=C(C(C)=O)C=C1 24155 [0,1,0,0,0,0|2,0,0]=3 145 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=N1 C10744 [0,1,0,0,0,0|1,0,0]=2 146 B12R1.48 COC1=C(Cl)C=C(B(O)O)C=N1 69519 [0,1,0,0,0,0|2,0,1]=4 147 B12R1.48 COC1=C(Cl)C=C(C(=O)O)N=C1 P11632 [0,1,0,0,0,0|1,0,0]=2 148 B12R1.48 COC1=C(Cl)C=C([N+](=O)[O-])C=N1 27570 [0,1,0,0,0,0|2,0,1]=4 149 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 N12277 [0,1,0,0,0,0|2,0,1]=4 150 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 Y10287 [0,1,0,0,0,0|2,0,1]=4 151 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 Y10288 [0,1,0,0,0,0|2,0,1]=4 152 B12R1.48 COC1=C(O)C=C(B(O)O)C=C1 R10067 [0,1,0,0,0,0|1,0,1]=3 153 B12R1.48 COC1=CC=C([N+](=O)[O-])N=C1Br AB6410 [0,1,0,0,0,0|2,0,1]=4 154 B12R1.48 COC1=COC(C(=O)O)=CC1=O A11938 [0,1,0,0,0,0|1,0,0]=2 155 B12R1.48 COC1=NC=C(C(=O)O)C=C1C 72479 [0,1,0,0,0,0|1,0,0]=2 156 B12R1.48 N#CC1=C(Br)C=C(C(=O)O)C=C1 AB6375 [0,1,0,0,0,0|2,0,0]=3 157 B12R1.48 N#CC1=C(Cl)C=C(C(=O)O)C=C1 95966 [0,1,0,0,0,0|2,0,0]=3 158 B12R1.48 N#CC1=C(N)C=C(C(=O)O)C=C1 CL9384 [0,1,0,0,0,0|2,0,0]=3 159 B12R1.48 N#CC1=CC=C(C(=O)O)N=C1Cl O11578 [0,1,0,0,0,0|3,0,0]=4 160 B12R1.48 O=C(O)C1=CC(F)=C(CBr)C=C1 C90464 [0,1,0,0,0,0|2,0,0]=3 161 B12R1.48 O=C(O)C1=CC(F)=C(CO)C=C1 W10220 [0,1,0,0,0,0|2,0,0]=3 162 B12R1.48 O=C(O)C1=CC(O)=C(CO)C=C1 D80533 [0,1,0,0,0,0|2,0,0]=3 163 B12R1.48 O=CC1=C(Br)C=C(C(=O)O)C=C1 AC1747 [0,1,0,0,0,0|2,0,0]=3 164 B12R1.48 O=CC1=C(Cl)C=C(C(=O)O)C=C1 CL9202 [0,1,0,0,0,0|2,0,0]=3 165 B12R1.113 C=CCC1=CC=C(C(=O)O)C=C1 D93345 [0,1,0,0,0,0|1,0,1]=3 166 B12R1.113 CC(=O)C1=CC=C(CCBr)C=C1 CL9094 [0,1,0,0,0,0|2,0,0]=3 167 B12R1.113 CCOC1=CC=C(C(N)=S)C=C1 76923 [0,1,0,0,0,0|1,1,0]=3 168 B12R1.113 CCOC1=CC=C([C@H](C)O)C=C1 A12294 [0,1,0,0,0,0|1,0,1]=3 169 B12R1.113 CCOC1=CN=C(C(=O)O)C=C1 C77361 [0,1,0,0,0,0|1,0,0]=2 170 B12R1.113 CCOC1=CN=C(C(=O)O)C=N1 36273 [0,1,0,0,0,0|2,0,0]=3 171 B12R1.113 CNCC1=CC=C(B(O)O)C=C1 I12448 [0,1,0,0,0,0|2,0,1]=4 172 B12R1.113 CNCC1=CC=C([N+](=O)[O-])C=C1 76740 [0,1,0,0,0,0|2,0,1]=4 173 B12R1.113 O=C(O)C1=CC=C(C#CBr)C=C1 W15469 [0,1,0,0,0,0|1,0,1]=3 174 B12R1.113 O=C(O)C1=CC=C(CCO)C=C1 C75240 [0,1,0,0,0,0|1,0,0]=2 175 B12R1.113 O=C(O)C1=CN=C(OCF)C=N1 W11470 [0,1,0,0,0,0|2,0,0]=3 176 B12R1.256 CC(=O)C1=CC=C([C@H](C)N)C=C1 20153 [0,1,0,0,0,0|2,0,0]=3 177 B12R1.256 CC(=O)C1=CN=C(C(=O)O)C=N1 C71589 [0,1,0,0,0,0|3,0,0]=4 178 B12R1.256 CC(=O)C1=CN=C(C(C)C)C=C1 D84331 [0,1,0,0,0,0|3,0,0]=4 179 B12R1.256 CC(=O)C1=NC=C(C(C)C)C=C1 C72515 [0,1,0,0,0,0|3,0,0]=4 180 B12R1.256 CC(C)C1=NC=C(C(=O)O)C=C1 O11601 [0,1,0,0,0,0|2,0,0]=3 181 B12R1.256 CN(C)C1=CC=C(B(O)O)C=C1 31107 [0,1,0,0,0,0|2,0,1]=4 182 B12R1.256 C[C@H](Br)C1=CC=C([N+](=O)[O-])C=C1 F52534 [0,1,0,0,0,0|2,0,1]=4 183 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 F31037 [0,1,0,0,0,0|1,0,0]=2 184 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 Y10456 [0,1,0,0,0,0|1,0,0]=2 185 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 Y10681 [0,1,0,0,0,0|1,0,0]=2 186 B12R1.256 C[C@H](N)C1=CC=C([N+](=O)[O-])C=C1 Y10258 [0,1,0,0,0,0|2,0,1]=4 187 B12R1.256 C[C@H](O)C1=CC=C(B(O)O)C=C1 33993 [0,1,0,0,0,0|2,0,1]=4 188 B12R1.256 C[C@H](O)C1=CC=C(C(=O)O)C=C1 C77341 [0,1,0,0,0,0|1,0,0]=2 189 B12R1.256 C[C@H](O)C1=CC=C(C(N)=O)C=C1 C71562 [0,1,0,0,0,0|2,0,0]=3 190 B12R1.256 C[C@H](O)C1=CC=C([N+](=O)[O-])C=C1 A12664 [0,1,0,0,0,0|2,0,1]=4 191 B12R1.256 O=C(O)C1=CC=C(C(F)F)C=C1 94898 [0,1,0,0,0,0|2,0,0]=3 192 B12R1.256 O=C(O)C1=CC=C([N+](=O)[O-])C=C1 C12929 [0,1,0,0,0,0|2,0,0]=3 193 B12R1.256 O=C(O)C1=CN=C(C(F)F)C=C1 W11081 [0,1,0,0,0,0|3,0,0]=4 194 B12R1.256 O=C(O)C1=NC=C(B(O)O)C=C1 FD7237 [0,1,0,0,0,0|3,0,0]=4 195 B12R1.452 CC1=CC(C#N)=CN=C1C(=O)O 79221 [0,1,0,0,0,0|3,0,0]=4 196 B12R1.452 CCC1=CC(F)=C(C(N)=O)C=C1 D79253 [0,1,0,0,0,0|2,0,0]=3 197 B12R1.452 COC1=CC(C)=C(C(N)=O)C=C1 F15895 [0,1,0,0,0,0|1,0,0]=2 198 B12R1.452 COC1=CC(C)=C([C@H](C)N)C=C1 Y11737 [0,1,0,0,0,0|2,0,1]=4 199 B12R1.452 COC1=CC(C)=C([C@H](C)N)C=C1 Y11923 [0,1,0,0,0,0|2,0,1]=4 200 B12R1.452 COC1=CC(C)=C([C@H](C)N)C=C1 Y11924 [0,1,0,0,0,0|2,0,1]=4 201 B12R1.452 COC1=CC(Cl)=C(C(=O)O)N=C1 O10984 [0,1,0,0,0,0|1,0,0]=2 202 B12R1.452 COC1=CC(Cl)=C(C(C)=O)C=C1 75061 [0,1,0,0,0,0|1,0,0]=2 203 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 Y11507 [0,1,0,0,0,0|2,0,1]=4 204 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 Y11508 [0,1,0,0,0,0|2,0,1]=4 205 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 Y13370 [0,1,0,0,0,0|2,0,1]=4 206 B12R1.452 COC1=CC(Cl)=C([N+](=O)[O-])C=C1 S10425 [0,1,0,0,0,0|1,0,1]=3 207 B12R1.452 COC1=CC(Cl)=C([N+](=O)[O-])C=N1 79113 [0,1,0,0,0,0|2,0,1]=4 208 B12R1.452 COC1=CC(F)=C(B(O)O)C=C1 67888 [0,1,0,0,0,0|1,0,1]=3 209 B12R1.452 COC1=CC(F)=C(C(=O)O)N=C1 80030 [0,1,0,0,0,0|1,0,0]=2 210 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 Y10213 [0,1,0,0,0,0|2,0,1]=4 211 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 Y10289 [0,1,0,0,0,0|2,0,1]=4 212 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 Y11913 [0,1,0,0,0,0|2,0,1]=4 213 B12R1.452 COC1=CC(N)=C(C(=O)O)C=N1 P11630 [0,1,0,0,0,0|1,0,0]=2 214 B12R1.452 COC1=CC(N)=C(C(C)=O)C=C1 52087 [0,1,0,0,0,0|1,0,0]=2 215 B12R1.452 COC1=CC(N)=C([N+](=O)[O-])C=N1 O10819 [0,1,0,0,0,0|2,0,1]=4 216 B12R1.452 COC1=CC=C(C(=O)O)C(=O)N1 D80739 [0,1,0,0,0,0|1,0,0]=2 217 B12R1.452 COC1=CC=C(C(=O)O)C(Br)=N1 O10693 [0,1,0,0,0,0|1,0,0]=2 218 B12R1.452 COC1=CC=C(C(=O)O)C(Cl)=N1 89001 [0,1,0,0,0,0|1,0,0]=2 219 B12R1.452 COC1=CC=C([N+](=O)[O-])C(=O)N1 D73317 [0,1,0,0,0,0|2,0,1]=4 220 B12R1.452 COC1=CN=C(C(=O)O)C(N)=C1 N17024 [0,1,0,0,0,0|1,0,0]=2 221 B12R1.452 COC1=CN=C(C(=O)O)C(N)=N1 55145 [0,1,0,0,0,0|2,0,0]=3 222 B12R1.452 COC1=CN=C([N+](=O)[O-])C(N)=C1 97257 [0,1,0,0,0,0|2,0,1]=4 223 B12R1.452 COC1=NC(C)=C(C(=O)O)C=C1 24363 [0,1,0,0,0,0|1,0,0]=2 224 B12R1.452 COC1=NC(N)=C(C(=O)O)C=C1 F31118 [0,1,0,0,0,0|1,0,0]=2 225 B12R1.452 CSC1=CC(C)=C(C(=O)O)C=C1 75574 [0,1,0,0,0,0|0,1,0]=2 226 B12R1.452 CSC1=NC(C)=C(C(=O)O)C=N1 AC7476 [0,1,0,0,0,0|2,1,0]=4 227 B12R1.452 CSC1=NC(N)=C(C(=O)O)C=N1 77467 [0,1,0,0,0,0|2,1,0]=4 228 B12R1.452 N#CC1=CC(F)=C(C(=O)O)N=C1 79772 [0,1,0,0,0,0|3,0,0]=4 229 B12R1.452 N#CC1=CC(I)=C(C(=O)O)C=C1 80126 [0,1,0,0,0,0|2,0,0]=3 230 B12R1.452 N#CC1=CC(N)=C(C(=O)O)C=C1 CL9383 [0,1,0,0,0,0|2,0,0]=3 231 B12R1.452 O=CC1=CC(Cl)=C(C(=O)O)C=C1 N10574 [0,1,0,0,0,0|2,0,0]=3 232 B12R1.452 O=CC1=CC(F)=C(C(=O)O)C=C1 D95103 [0,1,0,0,0,0|2,0,0]=3 233 B12R2.1384 O=C(O)C1=CC2=C(C=C1)CC2 67661 [0,0,0,1,0,0|1,0,0]=2 234 B12R2.1384 OB(O)C1=CC2=C(C=C1)CC2 67942 [0,0,0,1,0,0|2,0,1]=4 235 B10R1.31 CCC1=CC(C(=O)O)=NN1 79051 [0,0,0,0,1,0|3,0,0]=4 236 B10R1.31 CCC1=NC(C(=O)O)=CS1 69872 [0,0,0,0,1,0|3,0,0]=4 237 B10R1.31 CCC1=NC(C(=O)O)=CS1 C73183 [0,0,0,0,1,0|3,0,0]=4 238 B10R1.31 CCN1C=C(C(=O)O)C=N1 30841 [0,0,0,0,1,0|3,0,0]=4 239 B10R1.31 CCN1C=NC(C(=O)O)=C1 AT15392 [0,0,0,0,1,0|3,0,0]=4 240 B10R1.31 COC1=CC=C(C(=O)O)S1 31392 [0,0,0,0,1,0|1,0,0]=2 241 B10R1.31 COC1=CN=C(C(=O)O)O1 C75184 [0,0,0,0,1,0|2,0,0]=3 242 B10R1.31 COC1=NOC(C(C)=O)=C1 98350 [0,0,0,0,1,0|3,0,0]=4 243 B10R1.31 N#CC1=CC=C(C(=O)O)N1 C16499 [0,0,0,0,1,0|3,0,0]=4 244 B10R1.31 N#CC1=CC=C(C(=O)O)O1 N12973 [0,0,0,0,1,0|3,0,0]=4 245 B10R1.31 N#CC1=CC=C(C(=O)O)S1 89049 [0,0,0,0,1,0|3,0,0]=4 246 B10R1.31 N#CC1=COC(C(=O)O)=C1 C72484 [0,0,0,0,1,0|3,0,0]=4 247 B10R1.31 N#CC1=CSC(C(=O)O)=C1 76094 [0,0,0,0,1,0|3,0,0]=4 248 B10R1.31 O=CC1=CC(C(=O)O)=CO1 AT17491 [0,0,0,0,1,0|3,0,0]=4 249 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 C77608 [0,0,0,0,0,1|3,0,0]=4 250 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 F19945 [0,0,0,0,0,1|3,0,0]=4 251 B12R1.4 CCC1=CC=C(NC(C)=O)C=C1 Y10852 [0,0,0,0,0,1|2,0,0]=3 252 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13064 [0,0,0,0,0,1|2,0,1]=4 253 B12R1.4 COC1=CC=C(OC(C)=O)C=C1 C11131 [0,0,0,0,0,1|1,0,0]=2 254 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 CK1029 [0,0,0,0,0,1|2,0,0]=3 255 B12R1.4 O=C(O)CC1=CC=C(CCl)C=C1 AC6356 [0,0,0,0,0,1|2,0,0]=3 256 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 CX1079 [0,0,0,0,0,1|2,0,0]=3 257 B9R1.1 CC1=CN=C(C=O)C=N1 36020 [2,0,0,0,0,0|2,0,0]=4 258 B9R1.1 CCC1=CN=C(O)C=C1 25325 [2,0,0,0,0,0|2,0,0]=4 259 B9R1.1 CNC1=CC=C(O)C=C1 D77985 [2,0,0,0,0,0|1,0,0]=3 260 B9R1.1 COC1=CN=C(F)C=C1 98092 [2,0,0,0,0,0|2,0,0]=4 261 B9R1.1 COC1=NC=C(O)C=N1 C16680 [2,0,0,0,0,0|2,0,0]=4 262 B9R1.1 C[N+]1=CC=C(C=O)C=C1 D95156 [2,0,0,0,0,0|1,0,0]=3 263 B9R1.1 NC1=CN=C(C=O)C=C1 D77164 [2,0,0,0,0,0|2,0,0]=4 264 B9R1.1 NCC1=CC=C(O)C=C1 AC1832 [2,0,0,0,0,0|1,0,1]=4 265 B9R1.1 O=CC1=CN=C(O)N=C1 86751 [2,0,0,0,0,0|2,0,0]=4 266 B9R1.1 O=CC1=NN=C(O)C=C1 C77199 [2,0,0,0,0,0|2,0,0]=4 267 B9R1.1 OCC1=CC=C(S)C=C1 Y11017 [2,0,0,0,0,0|0,1,1]=4 268 B11R1.83 C=COC1=CC=C(CO)C=C1 D80867 [1,1,0,0,0,0|0,0,2]=4 269 B11R1.83 CCOC1=NC=C(CO)C=C1 20990 [1,1,0,0,0,0|1,0,1]=4 270 B11R1.83 CNC1=CC=C(CCO)C=C1 AB11620 [1,1,0,0,0,0|1,0,1]=4 271 B11R1.83 COC1=CC=C(CC=O)C=C1 F11615 [1,1,0,0,0,0|0,0,0]=2 272 B11R1.83 COC1=CC=C(CSC)C=C1 W18269 [1,1,0,0,0,0|0,1,1]=4 273 B11R1.83 NCCC1=CC=C(C=O)C=C1 51618 [1,1,0,0,0,0|1,0,0]=3 274 B11R1.83 O=CC1=CC=C(CCO)C=C1 CK2095 [1,1,0,0,0,0|1,0,0]=3 275 B11R1.83 OCCC1=CC=C(CO)C=C1 D82395 [1,1,0,0,0,0|1,0,1]=4 276 B11R1.279 CC1=C(C=O)C=CC(C#N)=C1 I10178 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.279 CC1=C(C=O)C=CC(C=O)=C1 A12374 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.279 CCC1=CC(F)=C(C=O)C=C1 36776 [1,1,0,0,0,0|1,0,0]=3 279 B11R1.279 CCC1=CC(N)=C(OC)C=C1 W16778 [1,1,0,0,0,0|1,0,1]=4 280 B11R1.279 CCC1=CC(O)=C(OC)C=C1 O11426 [1,1,0,0,0,0|1,0,1]=4 281 B11R1.279 COC1=C(Br)C=C(C=O)C=N1 F12246 [1,1,0,0,0,0|1,0,0]=3 282 B11R1.279 COC1=C(C)C=C(CO)C=C1 D87344 [1,1,0,0,0,0|0,0,1]=3 283 B11R1.279 COC1=C(Cl)C=C(CCl)C=C1 N12801 [1,1,0,0,0,0|1,0,1]=4 284 B11R1.279 COC1=C(F)C=C(C=O)C=N1 24822 [1,1,0,0,0,0|1,0,0]=3 285 B11R1.279 COC1=C(N)C=C(C#N)C=C1 50134 [1,1,0,0,0,0|1,0,1]=4 286 B11R1.279 COC1=C(N)C=C(CO)C=C1 74962 [1,1,0,0,0,0|0,0,1]=3 287 B11R1.279 COC1=C(O)C=C(CO)N=C1 79208 [1,1,0,0,0,0|1,0,1]=4 288 B11R1.279 COC1=CC(Br)=C(CO)C=C1 96401 [1,1,0,0,0,0|0,0,1]=3 289 B11R1.279 COC1=CC(C)=C(CN)C=C1 N16939 [1,1,0,0,0,0|1,0,1]=4 290 B11R1.279 COC1=CC(Cl)=C(CO)C=C1 W19191 [1,1,0,0,0,0|0,0,1]=3 291 B11R1.279 COC1=CC(F)=C(CBr)C=C1 CL9274 [1,1,0,0,0,0|1,0,1]=4 292 B11R1.279 COC1=CC(F)=C(CN)C=C1 CK2394 [1,1,0,0,0,0|1,0,1]=4 293 B11R1.279 COC1=CC(F)=C(CN)C=C1 Y11728 [1,1,0,0,0,0|1,0,1]=4 294 B11R1.279 COC1=CC(F)=C(NN)C=C1 27747 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.279 COC1=CC(I)=C(C=O)C=C1 D82574 [1,1,0,0,0,0|0,0,0]=2 296 B11R1.279 COC1=CC(I)=C(CO)C=N1 64882 [1,1,0,0,0,0|1,0,1]=4 297 B11R1.279 COC1=CC(N)=C(C=O)C=C1 F15612 [1,1,0,0,0,0|0,0,0]=2 298 B11R1.279 COC1=CC(N)=C(CO)C=C1 F15701 [1,1,0,0,0,0|0,0,1]=3 299 B11R1.279 COC1=CC(O)=C(OC)C=C1 25077 [1,1,0,0,0,0|2,0,0]=4 300 B11R1.279 COC1=CC=C(C=O)C(Cl)=N1 W17184 [1,1,0,0,0,0|1,0,0]=3 301 B11R1.279 COC1=CC=C(C=O)N=C1Br W17199 [1,1,0,0,0,0|1,0,0]=3 302 B11R1.279 COC1=CC=C(CO)N=C1Cl W17845 [1,1,0,0,0,0|1,0,1]=4 303 B11R1.279 COC1=NC(N)=C(C=O)C=N1 66176 [1,1,0,0,0,0|2,0,0]=4 304 B11R1.279 COC1=NC=C(C=O)C=C1C 72229 [1,1,0,0,0,0|1,0,0]=3 305 B11R1.279 COC1=NC=C(CO)C=C1C 72276 [1,1,0,0,0,0|1,0,1]=4 306 B11R1.279 N#CC1=C(Br)C=C(C=O)C=C1 20836 [1,1,0,0,0,0|2,0,0]=4 307 B11R1.279 N#CC1=C(Cl)C=C(C=O)C=C1 W10335 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.279 N#CC1=CC(O)=C(C=O)C=C1 A11330 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.279 O=CC1=C(O)C=C(CO)C=C1 C11418 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 20480 [1,1,0,0,0,0|1,0,0]=3 311 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 55666 [1,1,0,0,0,0|1,0,0]=3 312 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 63204 [1,1,0,0,0,0|1,0,0]=3 313 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 87616 [1,1,0,0,0,0|1,0,0]=3 314 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 91259 [1,1,0,0,0,0|1,0,0]=3 315 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 C73216 [1,1,0,0,0,0|1,0,0]=3 316 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS3396 [1,1,0,0,0,0|1,0,0]=3 317 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS3405 [1,1,0,0,0,0|1,0,0]=3 318 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 D83842 [1,1,0,0,0,0|1,0,0]=3 319 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 F51928 [1,1,0,0,0,0|1,0,0]=3 320 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 H11175 [1,1,0,0,0,0|1,0,0]=3 321 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 P18527 [1,1,0,0,0,0|1,0,0]=3 322 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 S11121 [1,1,0,0,0,0|1,0,0]=3 323 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W10985 [1,1,0,0,0,0|1,0,0]=3 324 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13813 [1,1,0,0,0,0|1,0,0]=3 325 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13814 [1,1,0,0,0,0|1,0,0]=3 326 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13829 [1,1,0,0,0,0|1,0,0]=3 327 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 38109 [1,1,0,0,0,0|1,0,1]=4 328 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 D70941 [1,1,0,0,0,0|1,0,1]=4 329 B11R1.19 O=P(O)(O)C1=CC=C(O)C=C1 T72323 [1,1,0,0,0,0|1,0,0]=3 330 B11R1.19 O=S(=O)(Cl)C1=CC=C(O)C=C1 F21306 [1,1,0,0,0,0|1,0,1]=4 331 B11R1.19 O=S(=O)(O)C1=CC=C(S)C=C1 FD13126 [1,1,0,0,0,0|1,1,0]=4 332 B11R1.21 CC(=O)C1=CC(=O)N(C)C=C1 90625 [1,1,0,0,0,0|2,0,0]=4 333 B11R1.21 CC(=O)C1=CC(Br)=C(I)C=C1 C77271 [1,1,0,0,0,0|2,0,0]=4 334 B11R1.21 CC(=O)C1=CC(Cl)=C(N)C=C1 20733 [1,1,0,0,0,0|2,0,0]=4 335 B11R1.21 CC(=O)C1=CC(Cl)=C(O)C=C1 C15500 [1,1,0,0,0,0|1,0,0]=3 336 B11R1.21 CC(=O)C1=CC(I)=C(N)C=C1 21187 [1,1,0,0,0,0|2,0,0]=4 337 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 C73283 [1,1,0,0,0,0|1,0,0]=3 338 B11R1.21 CC(=O)C1=CC(N)=C(F)C=C1 FD17092 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.21 CC(=O)C1=CC(N)=C(N)C=C1 D70632 [1,1,0,0,0,0|2,0,0]=4 340 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 T71038 [1,1,0,0,0,0|1,0,0]=3 341 B11R1.21 CC(=O)C1=CC(O)=C(Br)C=C1 AB10068 [1,1,0,0,0,0|2,0,0]=4 342 B11R1.21 CC(=O)C1=CN=C(C)C(C)=C1 D93974 [1,1,0,0,0,0|2,0,0]=4 343 B11R1.21 CC1=C(Br)C=C(C(=O)O)N=C1 C71660 [1,1,0,0,0,0|1,0,0]=3 344 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 C76662 [1,1,0,0,0,0|1,0,0]=3 345 B11R1.21 CC1=C(Cl)C=C(C(=O)O)N=C1 O11218 [1,1,0,0,0,0|1,0,0]=3 346 B11R1.21 CC1=C(F)C=C(C(=O)O)C=N1 C10557 [1,1,0,0,0,0|1,0,0]=3 347 B11R1.21 CC1=C(F)C=CC(C(N)=O)=C1 A51175 [1,1,0,0,0,0|2,0,0]=4 348 B11R1.21 CC1=C(O)C=C(B(O)O)C=C1 F16733 [1,1,0,0,0,0|1,0,1]=4 349 B11R1.21 CC1=C(O)C=CC(B(O)O)=C1 W17226 [1,1,0,0,0,0|1,0,1]=4 350 B11R1.21 CC1=C(O)N=C(C(=O)O)C=C1 90209 [1,1,0,0,0,0|1,0,0]=3 351 B11R1.21 CC1=CC(C(=O)O)=CN=C1C D86774 [1,1,0,0,0,0|1,0,0]=3 352 B11R1.21 CC1=CC(C(=O)O)=CNC1=O RB1153 [1,1,0,0,0,0|1,0,1]=4 353 B11R1.21 CC1=CC(C(N)=O)=CN=C1C D93908 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.21 CC1=CC=C(C(=O)O)N=C1Br 87755 [1,1,0,0,0,0|1,0,0]=3 355 B11R1.21 CC1=NC=C(C(=O)O)C=C1N 38876 [1,1,0,0,0,0|1,0,0]=3 356 B11R1.21 CN1C=CC(C(N)=O)=CC1=O P10284 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.21 NC(=O)C1=CC(F)=C(F)C=C1 D73480 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.21 NC(=O)C1=CC(O)=C(Br)C=C1 AC7242 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.21 NC(=O)C1=CC(O)=C(N)C=C1 Y11587 [1,1,0,0,0,0|2,0,0]=4 360 B11R1.21 NC1=C(Br)C=NC(C(=O)O)=C1 P12943 [1,1,0,0,0,0|2,0,0]=4 361 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=N1 D83582 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.21 NC1=C(I)C=CC(C(=O)O)=C1 S10893 [1,1,0,0,0,0|1,0,0]=3 363 B11R1.21 NC1=CC(C(=O)O)=CN=C1N C74383 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.21 O=C(O)C1=CC(=O)C(O)=CN1 F31188 [1,1,0,0,0,0|1,0,0]=3 365 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=N1 A51162 [1,1,0,0,0,0|2,0,0]=4 366 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=N1 P19208 [1,1,0,0,0,0|1,0,0]=3 367 B11R1.21 O=C(O)C1=CC(I)=C(I)C=C1 D84788 [1,1,0,0,0,0|1,0,0]=3 368 B11R1.21 O=C(O)C1=CC(I)=C(O)C=C1 CK2246 [1,1,0,0,0,0|0,0,0]=2 369 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=N1 22742 [1,1,0,0,0,0|2,0,0]=4 370 B11R1.21 O=C(O)C1=CC=C(Cl)C(Br)=N1 22761 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.21 O=C(O)C1=CN=C(Br)C(F)=C1 31381 [1,1,0,0,0,0|2,0,0]=4 372 B11R1.21 O=C(O)C1=CN=C(Cl)C(F)=C1 24357 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 P10667 [1,1,0,0,0,0|2,0,0]=4 374 B11R1.21 O=C(O)C1=CNC(=O)C(O)=C1 AC2078 [1,1,0,0,0,0|1,0,1]=4 375 B11R1.22 C#CC(=O)C1=CC=C(F)C=C1 W16135 [1,1,0,0,0,0|2,0,0]=4 376 B11R1.22 C=CC(=O)C1=CC=C(F)C=C1 AB9399 [1,1,0,0,0,0|2,0,0]=4 377 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 D93745 [1,1,0,0,0,0|1,0,0]=3 378 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 D81498 [1,1,0,0,0,0|1,0,1]=4 379 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N10531 [1,1,0,0,0,0|1,0,1]=4 380 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N11058 [1,1,0,0,0,0|1,0,1]=4 381 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N11096 [1,1,0,0,0,0|1,0,1]=4 382 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 Y10547 [1,1,0,0,0,0|1,0,1]=4 383 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 Y13360 [1,1,0,0,0,0|1,0,1]=4 384 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 D83483 [1,1,0,0,0,0|2,0,0]=4 385 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 29238 [1,1,0,0,0,0|2,0,0]=4 386 B11R1.22 COC(=O)C1=CC=C(S)C=C1 W12575 [1,1,0,0,0,0|0,1,0]=3 387 B11R1.22 COC(=O)C1=NC=C(C)C=N1 37740 [1,1,0,0,0,0|2,0,0]=4 388 B11R1.22 COC(=O)C1=NC=C(O)C=N1 P14075 [1,1,0,0,0,0|2,0,0]=4 389 B11R1.22 COC(=O)C1=NN=C(C)C=C1 29806 [1,1,0,0,0,0|2,0,0]=4 390 B11R1.22 N#CC(=O)C1=CC=C(Br)C=C1 AB1242 [1,1,0,0,0,0|2,0,0]=4 391 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y10690 [1,1,0,0,0,0|1,0,1]=4 392 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y10915 [1,1,0,0,0,0|1,0,1]=4 393 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y11472 [1,1,0,0,0,0|1,0,1]=4 394 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 A12574 [1,1,0,0,0,0|2,0,0]=4 395 B11R1.22 N\C(=N/O)C1=CC=C(O)C=C1 60210 [1,1,0,0,0,0|1,0,0]=3 396 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 77934 [1,1,0,0,0,0|1,0,0]=3 397 B11R1.22 O=C(CO)C1=CC=C(I)C=C1 27936 [1,1,0,0,0,0|1,0,0]=3 398 B11R1.22 O\N=C(/Cl)C1=CC=C(Br)C=C1 65916 [1,1,0,0,0,0|2,0,0]=4 399 B11R1.22 O\N=C(/Cl)C1=CC=C(Cl)C=C1 A12381 [1,1,0,0,0,0|2,0,0]=4 400 B11R1.166 CC(=O)C1=C(Br)C=C(C)C=C1 77817 [1,1,0,0,0,0|1,0,0]=3 401 B11R1.166 CC(=O)C1=C(Br)C=C(N)C=C1 34088 [1,1,0,0,0,0|2,0,0]=4 402 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 52517 [1,1,0,0,0,0|1,0,0]=3 403 B11R1.166 CC(=O)C1=C(C)C=C(C)N=C1 79163 [1,1,0,0,0,0|2,0,0]=4 404 B11R1.166 CC(=O)C1=C(Cl)C=C(N)C=C1 I12065 [1,1,0,0,0,0|2,0,0]=4 405 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 W18192 [1,1,0,0,0,0|1,0,0]=3 406 B11R1.166 CC1=C(C(=O)O)C=CC(I)=C1 31871 [1,1,0,0,0,0|1,0,0]=3 407 B11R1.166 CC1=C(C(=O)O)C=NC(N)=C1 W11094 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.166 CC1=CC(F)=C(C(=O)O)N=C1 P12274 [1,1,0,0,0,0|1,0,0]=3 409 B11R1.166 CC1=CN=C(C(=O)O)C(C)=N1 27738 [1,1,0,0,0,0|2,0,0]=4 410 B11R1.166 CC1=NC(C)=C(C(=O)O)C=N1 Y10097 [1,1,0,0,0,0|2,0,0]=4 411 B11R1.166 CC1=NC(N)=C(C(=O)O)C=N1 F52074 [1,1,0,0,0,0|2,0,0]=4 412 B11R1.166 CC1=NC(N)=C(C(N)=O)C=C1 D83361 [1,1,0,0,0,0|2,0,0]=4 413 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=N1 C16751 [1,1,0,0,0,0|2,0,0]=4 414 B11R1.166 NC(=O)C1=C(Br)C=C(Br)C=C1 35389 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.166 NC(=O)C1=C(Br)C=C(I)C=C1 C72078 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.166 NC(=O)C1=C(N)C=C(F)C=C1 25114 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.166 NC(=O)C1=C(N)C=C(O)C=C1 C76630 [1,1,0,0,0,0|1,0,0]=3 418 B11R1.166 NC(=O)C1=C(O)C=C(Cl)C=C1 72118 [1,1,0,0,0,0|2,0,0]=4 419 B11R1.166 NC(=O)C1=C(O)C=C(N)C=C1 O11153 [1,1,0,0,0,0|2,0,0]=4 420 B11R1.166 NC(=O)C1=C(O)N=C(O)C=C1 95017 [1,1,0,0,0,0|2,0,0]=4 421 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=N1 I11984 [1,1,0,0,0,0|2,0,0]=4 422 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O 38415 [1,1,0,0,0,0|2,0,0]=4 423 B11R1.166 NC1=CC(F)=NC=C1C(=O)O 37635 [1,1,0,0,0,0|2,0,0]=4 424 B11R1.166 NC1=CC(N)=C(C(=O)O)C=C1 D95034 [1,1,0,0,0,0|1,0,0]=3 425 B11R1.166 O=C(O)C1=C(Br)C=C(Cl)N=C1 F11789 [1,1,0,0,0,0|2,0,0]=4 426 B11R1.166 O=C(O)C1=C(Br)C=C(O)C=C1 C13381 [1,1,0,0,0,0|0,0,0]=2 427 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=N1 BL010109 [1,1,0,0,0,0|2,0,0]=4 428 B11R1.166 O=C(O)C1=C(Cl)N=C(Br)C=C1 F10539 [1,1,0,0,0,0|2,0,0]=4 429 B11R1.166 O=C(O)C1=C(F)C=C(O)C=N1 D79760 [1,1,0,0,0,0|1,0,0]=3 430 B11R1.166 O=C(O)C1=C(F)N=C(Cl)C=C1 RB3340 [1,1,0,0,0,0|2,0,0]=4 431 B11R1.166 O=C(O)C1=CC=C(F)N=C1Br F30561 [1,1,0,0,0,0|2,0,0]=4 432 B11R1.166 O=C(O)C1=CC=C(F)N=C1Cl W16949 [1,1,0,0,0,0|2,0,0]=4 433 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Br F11779 [1,1,0,0,0,0|2,0,0]=4 434 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Cl F11857 [1,1,0,0,0,0|2,0,0]=4 435 B11R1.166 O=C(O)C1=CN=C(F)C=C1F S10764 [1,1,0,0,0,0|2,0,0]=4 436 B11R1.166 O=C(O)C1=NC=C(Br)C=C1O 54575 [1,1,0,0,0,0|2,0,0]=4 437 B11R1.166 O=[N+]([O-])C1=C(I)C=C(O)C=C1 23870 [1,1,0,0,0,0|1,0,1]=4 438 B11R1.166 OB(O)C1=C(F)C=C(O)C=C1 I12051 [1,1,0,0,0,0|1,0,1]=4 439 B11R1.44 COC(=O)C1=CC(OC)=NO1 W11034 [0,1,0,0,1,0|2,0,0]=4 440 B11R1.44 COC(=O)C1=CC=C(OC)S1 AC2452 [0,1,0,0,1,0|1,0,0]=3 441 B11R1.44 COC(=O)C1=NC=C(OC)O1 AC6206 [0,1,0,0,1,0|2,0,0]=4 442 B11R1.48 COC1=CC(C(=O)O)=NN1C W17522 [0,1,0,0,1,0|2,0,0]=4 443 B11R1.50 COC1=NN(C)C(C(=O)O)=C1 O11026 [0,1,0,0,1,0|2,0,0]=4 444 B11R1.124 COCC1=CNC(C(=O)O)=C1 C72930 [0,1,0,0,1,0|1,0,0]=3 445 B11R1.175 CC(C)C1=CC=C(C(=O)O)N1 C77075 [0,1,0,0,1,0|2,0,0]=4 446 B13R1.5 C=CC(=O)OC1=CC=C(CC)C=C1 Y14655 [0,1,0,0,0,1|2,0,0]=4 447 B13R1.5 CCC(=O)CC1=CC=C(OC)C=C1 N14177 [0,1,0,0,0,1|1,0,0]=3 448 B13R1.5 CCC(=O)NC1=CC=C(OC)C=C1 W10776 [0,1,0,0,0,1|1,0,0]=3 449 B13R1.5 COC(=O)CC1=CC=C(CN)C=C1 76596 [0,1,0,0,0,1|2,0,0]=4 450 B13R1.5 COC1=CC=C(CC(=O)NN)C=C1 W18806 [0,1,0,0,0,1|1,0,0]=3 451 B13R1.5 COC1=CC=C(C[C@H](C)C=O)C=C1 64484 [0,1,0,0,0,1|1,0,1]=4 452 B13R1.5 COC1=CC=C(C[C@H](N)CO)C=C1 N11303 [0,1,0,0,0,1|1,0,1]=4 453 B13R1.35 COC1=C(C)C=C(NC(C)=O)C=C1 20576 [0,1,0,0,0,1|1,0,0]=3 454 B13R1.35 COC1=C(F)C=C(NC(C)=O)C=C1 28023 [0,1,0,0,0,1|1,0,0]=3 455 B13R1.35 N#CC1=C(Cl)C=C(CC(=O)O)C=C1 98292 [0,1,0,0,0,1|2,0,0]=4 456 B13R1.36 COC1=CC=C(C(=O)C(C)=O)C=C1 O10296 [0,1,0,0,0,1|1,0,0]=3 457 B13R1.36 COC1=CC=C([C@@H](Br)C(=O)O)C=C1 F52417 [0,1,0,0,0,1|0,0,0]=2 458 B13R1.36 COC1=CC=C([C@@H](C)C(=O)O)C=C1 27914 [0,1,0,0,0,1|0,0,0]=2 459 B13R1.36 COC1=CC=C([C@@H](C)C(=O)O)C=C1 63436 [0,1,0,0,0,1|0,0,0]=2 460 B13R1.36 COC1=CC=C([C@@H](N)C(=O)O)C=C1 Y11808 [0,1,0,0,0,1|0,0,0]=2 461 B13R1.36 COC1=CC=C([C@@H](N)C(=O)O)C=C1 Y11809 [0,1,0,0,0,1|0,0,0]=2 462 B13R1.36 C[C@@H](C(=O)O)C1=CC=C(C#N)C=C1 C74862 [0,1,0,0,0,1|2,0,0]=4 463 B13R1.142 CCOC1=CC=C(NC(N)=S)C=C1 D70951 [0,1,0,0,0,1|1,1,0]=4 464 B13R1.142 CCOC1=CN=C(CC(=O)O)C=C1 CL0287 [0,1,0,0,0,1|1,0,0]=3 465 B13R1.142 NCCC1=CC=C(CC(=O)O)C=C1 W12538 [0,1,0,0,0,1|1,0,0]=3 466 B13R1.585 CC(=O)NC1=CC=C([C@H](C)N)C=C1 F31042 [0,1,0,0,0,1|2,0,0]=4 467 B13R1.585 CC(=O)OC1=CC=C(C(C)=O)C=C1 D88059 [0,1,0,0,0,1|2,0,0]=4 468 B13R1.585 N=C(N)C1=CC=C(CC(=O)O)C=C1 F13027 [0,1,0,0,0,1|2,0,0]=4 469 B13R1.585 O=C(O)CC1=CC=C(B(O)O)C=C1 W17325 [0,1,0,0,0,1|2,0,0]=4 470 B13R1.95 C#CC1=CC(Cl)=C(C(=O)OC)C=C1 72913 [0,2,0,0,0,0|1,0,1]=4 471 B13R1.95 CNC(=O)C1=C(N)C=C(OC)C=C1 F15702 [0,2,0,0,0,0|1,0,0]=3 472 B13R1.95 CNC1=CC(Cl)=C(C(=O)OC)N=C1 A11978 [0,2,0,0,0,0|2,0,0]=4 473 B13R1.95 COC(=O)C1=C(Br)C=C(C#N)C=C1 CL9181 [0,2,0,0,0,0|2,0,0]=4 474 B13R1.95 COC(=O)C1=C(C)C=C(C=O)C=C1 79094 [0,2,0,0,0,0|2,0,0]=4 475 B13R1.95 COC(=O)C1=C(C)C=C(CBr)C=C1 78278 [0,2,0,0,0,0|2,0,0]=4 476 B13R1.95 COC(=O)C1=C(C)N=C(OC)C=C1 W12734 [0,2,0,0,0,0|1,0,0]=3 477 B13R1.95 COC(=O)C1=C(Cl)C=C(C=O)C=C1 72939 [0,2,0,0,0,0|2,0,0]=4 478 B13R1.95 COC(=O)C1=C(Cl)C=C(CBr)C=C1 D80567 [0,2,0,0,0,0|2,0,0]=4 479 B13R1.95 COC(=O)C1=C(Cl)C=C(OC)N=C1 F51616 [0,2,0,0,0,0|1,0,0]=3 480 B13R1.95 COC(=O)C1=C(F)C=C(C=O)C=C1 CL9183 [0,2,0,0,0,0|2,0,0]=4 481 B13R1.95 COC(=O)C1=C(F)C=C(CO)C=C1 AT19256 [0,2,0,0,0,0|2,0,0]=4 482 B13R1.95 COC(=O)C1=C(F)C=C(OC)C=N1 68838 [0,2,0,0,0,0|1,0,0]=3 483 B13R1.95 COC(=O)C1=C(I)C=C(OC)C=C1 21134 [0,2,0,0,0,0|0,0,0]=2 484 B13R1.95 COC(=O)C1=C(N)C=C(CO)C=C1 D93330 [0,2,0,0,0,0|2,0,0]=4 485 B13R1.95 COC(=O)C1=C(O)C=C(C=O)C=C1 O11938 [0,2,0,0,0,0|2,0,0]=4 486 B13R1.95 COC(=O)C1=C(O)C=C(CBr)C=C1 D93573 [0,2,0,0,0,0|2,0,0]=4 487 B13R1.95 COC(=O)C1=C(O)C=C(CO)C=C1 D93572 [0,2,0,0,0,0|2,0,0]=4 488 B13R1.95 COC(=O)C1=CC=C(OC)N=C1Br D82707 [0,2,0,0,0,0|1,0,0]=3 489 B13R1.95 COC(=O)C1=CC=C(OC)N=C1F 28013 [0,2,0,0,0,0|1,0,0]=3 490 B13R1.95 COC(=O)C1=NC=C(OC)C=C1C D83518 [0,2,0,0,0,0|1,0,0]=3 491 B13R1.95 COC(=O)C1=NC=C(OC)C=C1N D78810 [0,2,0,0,0,0|1,0,0]=3 492 B13R1.95 COC1=CC(Br)=C(C(=O)CBr)C=C1 AC3109 [0,2,0,0,0,0|1,0,0]=3 493 B13R1.95 COC1=CC(Cl)=C([C@@H](N)CO)C=C1 Y13174 [0,2,0,0,0,0|1,0,1]=4 494 B13R1.139 CCOC1=CC=C([C@@H](N)CO)C=C1 Y11485 [0,2,0,0,0,0|1,0,1]=4 495 B13R1.139 CCOC1=CC=C([C@@H](O)CC)C=C1 D93349 [0,2,0,0,0,0|1,0,1]=4 496 B13R1.139 COC(=O)C1=CC=C(C#CBr)C=C1 72476 [0,2,0,0,0,0|1,0,1]=4 497 B13R1.139 COC(=O)C1=CC=C(CC=O)C=C1 S10818 [0,2,0,0,0,0|1,0,1]=4 498 B13R1.139 COC(=O)C1=CC=C(CCO)C=C1 79415 [0,2,0,0,0,0|1,0,0]=3 499 B13R1.139 COCC1=CC=C(C(=O)NN)C=C1 W19082 [0,2,0,0,0,0|1,0,0]=3 500 B13R1.139 COCC1=CC=C(C(=O)OC)C=C1 72033 [0,2,0,0,0,0|0,0,0]=2 501 B13R1.187 COC1=CC=C(C(F)(F)CO)C=C1 32667 [0,2,0,0,0,0|1,0,1]=4 502 B13R1.452 C=CC1=CC=C(C(=O)OCC)C=C1 S11889 [0,2,0,0,0,0|1,0,1]=4 503 B13R1.452 CCC[C@H](O)C1=CC=C(OC)C=C1 W12543 [0,2,0,0,0,0|1,0,1]=4 504 B13R1.452 CCOC(=N)C1=CC=C(OC)C=C1 W11168 [0,2,0,0,0,0|1,0,0]=3 505 B13R1.452 CCOC(=O)C1=CC=C(CN)C=C1 20623 [0,2,0,0,0,0|2,0,0]=4 506 B13R1.452 CCOC(=O)C1=CC=C(NN)C=C1 20699 [0,2,0,0,0,0|2,0,0]=4 507 B13R1.452 CCOC(=O)C1=CN=C(OC)C=C1 AB10014 [0,2,0,0,0,0|1,0,0]=3 508 B13R1.537 CN(C)C1=CC=C(C(=O)CBr)C=C1 O10668 [0,2,0,0,0,0|2,0,0]=4 509 B13R1.537 CN[C@@H](C)C1=CC=C(C(=O)O)C=C1 Y12194 [0,2,0,0,0,0|1,0,0]=3 510 B13R1.537 CN[C@@H](C)C1=CC=C(C(=O)O)C=C1 Y12195 [0,2,0,0,0,0|1,0,0]=3 511 B13R1.537 COC(=O)C1=CC=C(C(=N)N)C=C1 32434 [0,2,0,0,0,0|2,0,0]=4 512 B13R1.537 COC(=O)C1=CC=C(C(=N)N)C=C1 52695 [0,2,0,0,0,0|2,0,0]=4 513 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 Y12286 [0,2,0,0,0,0|1,0,0]=3 514 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 Y12474 [0,2,0,0,0,0|1,0,0]=3 515 B13R1.537 COC(=O)C1=CC=C([C@H](C)O)C=C1 71166 [0,2,0,0,0,0|1,0,0]=3 516 B13R1.537 COC(=O)C1=CN=C(C(C)=O)C=C1 W10357 [0,2,0,0,0,0|2,0,0]=4 517 B13R1.537 COC(=O)C1=CN=C([C@H](C)N)C=C1 N14656 [0,2,0,0,0,0|2,0,0]=4 518 B13R1.537 N[C@@H](CO)C1=CC=C(C(=O)O)C=C1 Y14261 [0,2,0,0,0,0|1,0,0]=3 519 B13R1.537 O=C(CO)C1=CC=C([N+](=O)[O-])C=C1 71237 [0,2,0,0,0,0|2,0,0]=4 520 B13R1.3088 CCC1=C(I)C=C(C(=O)OC)C=C1 I11293 [0,2,0,0,0,0|1,0,0]=3 521 B13R1.3088 CNC1=C(Br)C=C(C(=O)OC)C=C1 AB11664 [0,2,0,0,0,0|1,0,0]=3 522 B13R1.3088 CNC1=C(N)C=C(C(=O)OC)C=C1 60043 [0,2,0,0,0,0|1,0,0]=3 523 B13R1.3088 COC(=O)C1=CC(Br)=C(C#N)C=C1 AB9633 [0,2,0,0,0,0|2,0,0]=4 524 B13R1.3088 COC(=O)C1=CC(Br)=C(CO)C=C1 RB3304 [0,2,0,0,0,0|2,0,0]=4 525 B13R1.3088 COC(=O)C1=CC(C)=C(C=O)C=C1 CL9388 [0,2,0,0,0,0|2,0,0]=4 526 B13R1.3088 COC(=O)C1=CC(Cl)=C(CN)C=C1 A10036 [0,2,0,0,0,0|2,0,0]=4 527 B13R1.3088 COC(=O)C1=CC(Cl)=C(OC)C=N1 P12280 [0,2,0,0,0,0|1,0,0]=3 528 B13R1.3088 COC(=O)C1=CC(Cl)=C(OC)N=C1 72286 [0,2,0,0,0,0|1,0,0]=3 529 B13R1.3088 COC(=O)C1=CC(F)=C(OC)N=C1 25947 [0,2,0,0,0,0|1,0,0]=3 530 B13R1.3088 COC(=O)C1=CC(I)=C(C#N)C=C1 21108 [0,2,0,0,0,0|2,0,0]=4 531 B13R1.3088 COC(=O)C1=CC(O)=C(C=O)C=C1 98201 [0,2,0,0,0,0|2,0,0]=4 532 B13R1.3088 COC(=O)C1=CC=C(OC)C(Br)=N1 F30088 [0,2,0,0,0,0|1,0,0]=3 533 B13R1.3088 COC(=O)C1=CN=C(OC)C(N)=C1 C75768 [0,2,0,0,0,0|1,0,0]=3 534 B13R1.3088 COC(=O)C1=CN=C(OC)C(O)=C1 S10379 [0,2,0,0,0,0|1,0,0]=3 535 B13R1.3088 COC1=C(Cl)C=C(C(=O)NN)C=C1 W10805 [0,2,0,0,0,0|1,0,0]=3 536 B13R1.38 COC1=C(Br)C=C(C(C)(C)O)C=C1 74502 [0,2,0,0,0,0|1,0,1]=4 537 B13R1.140 O=S(=O)(O)C1=CC=C(CCBr)C=C1 T71040 [0,2,0,0,0,0|2,0,0]=4 538 B13R1.338 CC(=O)C1=CC=C(C(C)(C)O)C=C1 A10901 [0,2,0,0,0,0|2,0,0]=4 539 B13R1.338 CC(=O)C1=CC=C(C(C)(F)F)C=C1 94900 [0,2,0,0,0,0|2,0,0]=4 540 B13R1.338 CC(C)(C)C1=CN=C(C(=O)O)C=C1 D82332 [0,2,0,0,0,0|2,0,0]=4 541 B13R1.338 CC(C)(O)C1=CC=C(C(=O)O)C=C1 30806 [0,2,0,0,0,0|1,0,0]=3 542 B13R1.120 CC(=O)C1=C(C)C=C(C(=O)O)C=C1 F20126 [0,2,0,0,0,0|1,0,0]=3 543 B13R1.120 CC(=O)C1=CC(C)=C(C(=O)O)C=C1 F53493 [0,2,0,0,0,0|1,0,0]=3 544 B13R1.120 CC(=O)C1=CC(I)=C(C(=O)O)C=C1 D80417 [0,2,0,0,0,0|1,0,0]=3 545 B13R1.120 CC(C)C1=C(Br)C=C(C(=O)O)C=C1 S11380 [0,2,0,0,0,0|1,0,0]=3 546 B13R1.120 CC(C)C1=C(I)C=C(C(=O)O)C=C1 I11597 [0,2,0,0,0,0|1,0,0]=3 547 B13R1.120 CC(C)C1=CC(F)=C(C(=O)O)C=C1 D80425 [0,2,0,0,0,0|1,0,0]=3 548 B13R1.120 CC(C)N1C=CC(C(=O)O)=CC1=O P17758 [0,2,0,0,0,0|2,0,0]=4 549 B13R1.120 CC1=C(B(O)O)C=CC(C(=O)O)=C1 Y10144 [0,2,0,0,0,0|2,0,0]=4 550 B13R1.120 CC1=C(C(=O)O)C=CC(B(O)O)=C1 D71367 [0,2,0,0,0,0|2,0,0]=4 551 B13R1.120 CC1=C(C(=O)O)C=CC(C(=O)O)=C1 F20595 [0,2,0,0,0,0|2,0,0]=4 552 B13R1.120 CN(C)C1=C(Br)C=C(C(=O)O)C=C1 I11742 [0,2,0,0,0,0|1,0,0]=3 553 B13R1.120 O=C(O)C1=C(I)C=C([N+](=O)[O-])C=C1 F14659 [0,2,0,0,0,0|2,0,0]=4 554 B13R1.120 O=C(O)C1=CC(Br)=C(C(F)F)C=C1 F12204 [0,2,0,0,0,0|2,0,0]=4 555 B13R1.120 O=C(O)C1=CC(Cl)=C(C(=O)O)C=C1 AB8854 [0,2,0,0,0,0|2,0,0]=4 556 B13R1.652 COC1=C(Br)C=C(C(=O)O)C(C)=C1 95564 [0,2,0,0,0,0|0,0,0]=2 557 B13R1.652 COC1=C(Br)C=C([N+](=O)[O-])C(C)=C1 80679 [0,2,0,0,0,0|1,0,1]=4 558 B13R1.652 COC1=C(Br)C=C([N+](=O)[O-])C(N)=C1 P19063 [0,2,0,0,0,0|1,0,1]=4 559 B13R1.652 COC1=C(Cl)C=C(C(=O)O)C(N)=C1 90885 [0,2,0,0,0,0|0,0,0]=2 560 B13R1.652 COC1=C(F)C=C(C(=O)O)C(Cl)=N1 E70380 [0,2,0,0,0,0|1,0,0]=3 561 B13R1.652 COC1=C(F)C=C(C(=O)O)C(F)=C1 CL9195 [0,2,0,0,0,0|0,0,0]=2 562 B13R1.652 COC1=CC(Br)=C(C(=O)O)C=C1O A10677 [0,2,0,0,0,0|0,0,0]=2 563 B13R1.652 COC1=CC(Br)=C([N+](=O)[O-])C=C1N 80913 [0,2,0,0,0,0|1,0,1]=4 564 B13R1.652 COC1=CC(Cl)=C([N+](=O)[O-])C=C1N F17069 [0,2,0,0,0,0|1,0,1]=4 565 B13R1.3091 C#CC1=C(OC)C=CC([N+](=O)[O-])=C1 AC6783 [0,2,0,0,0,0|1,0,1]=4 566 B13R1.3091 CNC1=C(OC)C=C(C(=O)O)C=C1 F52493 [0,2,0,0,0,0|1,0,0]=3 567 B13R1.3091 COC1=C(C#N)C=C(C(=O)O)C=C1 P18991 [0,2,0,0,0,0|0,0,0]=2 568 B13R1.3091 COC1=C(C#N)C=CC(C(=O)O)=C1 AB11029 [0,2,0,0,0,0|2,0,0]=4 569 B13R1.3091 COC1=C(C=O)C=CC(C(=O)O)=C1 CL9726 [0,2,0,0,0,0|2,0,0]=4 570 B13R1.3091 COC1=C(CBr)C=C([N+](=O)[O-])C=C1 F21498 [0,2,0,0,0,0|1,0,1]=4 571 B13R1.3091 COC1=C(CO)C=C([N+](=O)[O-])C=C1 C11168 [0,2,0,0,0,0|1,0,1]=4 572 B13R1.3091 COC1=C(CO)C=CC(C(=O)O)=C1 38305 [0,2,0,0,0,0|2,0,0]=4 573 B13R1.3091 COC1=C(OC)C=C(C(N)=O)C=C1 A10942 [0,2,0,0,0,0|1,0,0]=3 574 B13R1.3091 COC1=C(OC)C=C([C@H](C)O)C=C1 29987 [0,2,0,0,0,0|1,0,1]=4 575 B13R1.3091 COC1=C(OC)N=C(C(=O)O)C=C1 D94973 [0,2,0,0,0,0|1,0,0]=3 576 B13R1.3091 COC1=CC(C(=O)O)=CN=C1OC Y13488 [0,2,0,0,0,0|1,0,0]=3 577 B13R1.3091 COC1=CN=C(C(=O)O)C=C1OC S10503 [0,2,0,0,0,0|1,0,0]=3 578 B13R1.3096 COC1=C(C)C(C)=C(C(=O)O)C=C1 C11393 [0,2,0,0,0,0|0,0,0]=2 579 B13R1.3096 COC1=CC=C(C(C)=O)C(N)=C1Cl C77161 [0,2,0,0,0,0|1,0,0]=3 580 B13R1.3380 CC1=CC(C(=O)O)=CC(C)=C1C#N AB10371 [0,2,0,0,0,0|2,0,0]=4 581 B13R1.3380 COC1=C(Br)C=C(C(=O)O)C=C1Br D75711 [0,2,0,0,0,0|0,0,0]=2 582 B13R1.3380 COC1=C(C)C=C(C(C)=O)C=C1C CL8650 [0,2,0,0,0,0|1,0,0]=3 583 B13R1.3380 COC1=C(F)C=C(B(O)O)C=C1F N11793 [0,2,0,0,0,0|1,0,1]=4 584 B13R1.3380 O=CC1=C(Cl)C=C(C(=O)O)C=C1Cl P13953 [0,2,0,0,0,0|2,0,0]=4 585 B13R1.74 C=CCOC1=CC=C(C(=O)O)C=C1 W13352 [0,2,0,0,0,0|0,0,0]=2 586 B13R1.74 CCCCC1=CN=C(C(=O)O)C=C1 T72585 [0,2,0,0,0,0|2,0,0]=4 587 B13R1.74 CNCCC1=CC=C(C(=O)O)C=C1 CS1707 [0,2,0,0,0,0|1,0,0]=3 588 B13R1.74 N#CCNC1=CC=C(C(=O)O)C=C1 AR2951 [0,2,0,0,0,0|1,0,0]=3 589 B13R1.74 NCCOC1=CC=C(C(N)=O)C=C1 32366 [0,2,0,0,0,0|1,0,0]=3 590 B13R1.74 O=C(O)C1=CC=C(CCCO)C=C1 93476 [0,2,0,0,0,0|1,0,0]=3 591 B13R1.74 O=C(O)C1=CC=C(OCCO)C=C1 D94910 [0,2,0,0,0,0|0,0,0]=2 592 B13R1.385 CCOC1=CC(N)=C(C(=O)O)C=C1 D96193 [0,2,0,0,0,0|0,0,0]=2 593 B13R1.385 CCOC1=CC(N)=C([N+](=O)[O-])C=C1 W17379 [0,2,0,0,0,0|1,0,1]=4 594 B13R1.99 CCC1=C(B(O)O)C=CC(OC)=C1 C74760 [0,2,0,0,0,0|1,0,1]=4 595 B13R1.99 CNC1=C([N+](=O)[O-])C=CC(OC)=C1 76310 [0,2,0,0,0,0|1,0,1]=4 596 B13R1.99 COC1=CC(C#N)=C(B(O)O)C=C1 AC1058 [0,2,0,0,0,0|1,0,1]=4 597 B13R1.99 COC1=CC(OC)=C(C(=O)O)C=N1 97680 [0,2,0,0,0,0|1,0,0]=3 598 B13R1.428 CC1=CC(C#N)=CC(C)=C1C(=O)O C74574 [0,2,0,0,0,0|2,0,0]=4 599 B13R1.428 COC1=CC(Cl)=C([N+](=O)[O-])C(Cl)=C1 34488 [0,2,0,0,0,0|1,0,1]=4 600 B13R1.428 COC1=CC(F)=C([N+](=O)[O-])C(F)=C1 34501 [0,2,0,0,0,0|1,0,1]=4 601 B13R1.428 N#CC1=CC(Cl)=C(C(=O)O)C(Cl)=C1 CS1857 [0,2,0,0,0,0|2,0,0]=4 602 B13R1.428 O=CC1=CC(F)=C(C(=O)O)C(F)=C1 AT19209 [0,2,0,0,0,0|2,0,0]=4 603 B11R2.190 C=CC1=CC2=C(C=C1)CC2 67824 [1,0,0,1,0,0|2,0,0]=4 604 B13R2.2121 C#CC1=CC2=C(C=C1)NC(=O)O2 AC3197 [0,0,0,1,0,1|1,0,1]=4 605 B13R2.2121 COC1=CC2=C(C=C1)C=C(C)N2 69230 [0,0,0,1,0,1|2,0,0]=4 606 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)O2 O11603 [0,0,0,1,0,1|1,0,0]=3 607 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)S2 35610 [0,0,0,1,0,1|1,1,0]=4 608 B13R2.2121 COC1=CC2=C(C=C1)N=C(I)S2 86754 [0,0,0,1,0,1|1,1,0]=4 609 B13R2.2121 COC1=CC2=C(C=C1)N=C(N)O2 52986 [0,0,0,1,0,1|1,0,0]=3 610 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)S2 25963 [0,0,0,1,0,1|0,1,0]=3 611 B13R2.2121 COC1=CC2=C(C=C1)NC(C)=N2 AC6213 [0,0,0,1,0,1|2,0,0]=4 612 B13R2.2121 COC1=CC2=C(C=C1)NC(Cl)=N2 75507 [0,0,0,1,0,1|2,0,0]=4 613 B13R2.2121 COC1=CC2=C(C=C1)OC(Cl)=N2 F50763 [0,0,0,1,0,1|2,0,0]=4 614 B13R2.2121 COC1=CC2=C(C=C1)SC(=O)N2 36536 [0,0,0,1,0,1|1,0,0]=3 615 B13R2.2121 COC1=CC2=C(C=C1)SC(Cl)=N2 O10739 [0,0,0,1,0,1|2,0,0]=4 616 B13R2.2121 COC1=NC2=C(C=C1)CC(=O)N2 P20330 [0,0,0,1,0,1|2,0,0]=4 617 B13R2.2130 COC1=CC2=C(C=C1)C(=O)C=C2 N13246 [0,1,0,1,0,0|1,0,0]=3 618 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 88998 [0,1,0,1,0,0|0,0,0]=2 619 B13R2.2130 COC1=CC2=C(C=C1)C(=O)OC2 Y10227 [0,1,0,1,0,0|0,0,0]=2 620 B13R2.2130 COC1=CC2=C(C=C1)C(=O)ON2 W13527 [0,1,0,1,0,0|0,0,0]=2 621 B13R2.2130 COC1=CC2=C(C=C1)C(C)=CN2 D86192 [0,1,0,1,0,0|2,0,0]=4 622 B13R2.2130 COC1=CC2=C(C=C1)C(C)=CO2 D82922 [0,1,0,1,0,0|1,0,0]=3 623 B13R2.2130 COC1=CC2=C(C=C1)C(C)=NO2 D78624 [0,1,0,1,0,0|1,0,0]=3 624 B13R2.2130 COC1=CC2=C(C=C1)C(I)=NN2 26188 [0,1,0,1,0,0|2,0,0]=4 625 B13R2.430 CC(=O)C1=CC2=C(C=C1)CCO2 I10960 [0,1,0,1,0,0|2,0,0]=4 626 B13R2.430 CC(=O)C1=CC2=C(C=C1)OC=C2 73876 [0,1,0,1,0,0|1,0,1]=4 627 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCO2 35217 [0,1,0,1,0,0|1,0,0]=3 628 B13R2.430 O=C(O)C1=CC2=C(C=C1)CNC2 P10992 [0,1,0,1,0,0|1,0,0]=3 629 B13R2.430 O=C(O)C1=CC2=C(C=C1)COC2 72446 [0,1,0,1,0,0|0,0,0]=2 630 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=N2 25581 [0,1,0,1,0,0|0,0,1]=3 631 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=C2 F51397 [0,1,0,1,0,0|0,1,1]=4 632 B13R2.430 O=C(O)C1=NC=C2OC=CC2=C1 27620 [0,1,0,1,0,0|1,0,1]=4 633 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)COC2 71930 [0,1,0,1,0,0|1,0,1]=4 634 B13R2.428 CC(=O)C1=CC=C(C2CC2)C=C1 F10333 [0,1,0,1,0,0|2,0,0]=4 635 B13R2.428 O=C(Cl)C1=CC=C(C2CC2)C=C1 35042 [0,1,0,1,0,0|2,0,0]=4 636 B13R2.428 O=C(O)C1=CC=C(C2CC2)C=C1 59396 [0,1,0,1,0,0|1,0,0]=3 637 B13R2.428 O=C(O)C1=CN=C(C2CC2)C=C1 O11587 [0,1,0,1,0,0|2,0,0]=4 638 B13R2.428 O=C(O)C1=NC=C(C2CC2)C=C1 D84002 [0,1,0,1,0,0|2,0,0]=4 639 B13R2.428 O=[N+]([O-])C1=CC=C([C@@H]2CO2)C=C1 29583 [0,1,0,1,0,0|1,0,1]=4 640 B9R1.35 CC(=O)C1=CNC(C)=C1 C75858 [1,0,0,0,1,0|2,0,0]=4 641 B9R1.35 CC1=CC(C(=O)O)=CS1 BL001054 [1,0,0,0,1,0|1,0,0]=3 642 B9R1.35 CC1=CC(C(=O)O)=NS1 AT21128 [1,0,0,0,1,0|2,0,0]=4 643 B9R1.35 CC1=CNC(C(=O)O)=N1 C16255 [1,0,0,0,1,0|2,0,0]=4 644 B9R1.35 CC1=CNC(C(=O)O)=N1 Y11423 [1,0,0,0,1,0|2,0,0]=4 645 B9R1.35 CC1=NC=C(C(=O)O)O1 F13461 [1,0,0,0,1,0|2,0,0]=4 646 B9R1.35 CN1C=CC(C(=O)O)=C1 26121 [1,0,0,0,1,0|1,0,0]=3 647 B9R1.35 NC1=CNC(C(=O)O)=C1 F14489 [1,0,0,0,1,0|2,0,0]=4 648 B9R1.35 O=C(O)C1=CC(Br)=CO1 25418 [1,0,0,0,1,0|2,0,0]=4 649 B9R1.35 O=C(O)C1=CC(Cl)=CS1 24303 [1,0,0,0,1,0|2,0,0]=4 650 B9R1.35 O=C(O)C1=CC(F)=CS1 C10503 [1,0,0,0,1,0|2,0,0]=4 651 B9R1.35 O=C(O)C1=CC(I)=CN1 86089 [1,0,0,0,1,0|2,0,0]=4 652 B9R1.35 O=C(O)C1=CC=C(F)S1 83084 [1,0,0,0,1,0|2,0,0]=4 653 B9R1.35 O=C(O)C1=CC=C(I)S1 C75812 [1,0,0,0,1,0|2,0,0]=4 654 B9R1.35 O=C(O)C1=CNC(Cl)=C1 72647 [1,0,0,0,1,0|2,0,0]=4 655 B9R1.35 O=C(O)C1=CSC(Cl)=C1 24618 [1,0,0,0,1,0|2,0,0]=4 656 B9R1.35 O=C(O)C1=NNC(O)=C1 C77021 [1,0,0,0,1,0|2,0,0]=4 657 B11R1.20 CC(=O)NC1=CN=C(C)C=C1 N16920 [1,0,0,0,0,1|2,0,0]=4 658 B11R1.20 CC(=O)NC1=CN=C(O)C=C1 C75099 [1,0,0,0,0,1|2,0,0]=4 659 B11R1.20 CC(=O)NC1=NC=C(O)C=C1 C73008 [1,0,0,0,0,1|2,0,0]=4 660 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 56191 [1,0,0,0,0,1|1,0,0]=3 661 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 69913 [1,0,0,0,0,1|2,0,0]=4 662 B11R1.20 NC1=NC=C(CC(=O)O)C=C1 F18175 [1,0,0,0,0,1|2,0,0]=4 663 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 52120 [1,0,0,0,0,1|0,1,0]=3 664 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 89138 [1,0,0,0,0,1|2,0,0]=4 665 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 89139 [1,0,0,0,0,1|2,0,0]=4 666 B11R1.20 O=C(O)CC1=NC=C(I)C=C1 P12089 [1,0,0,0,0,1|2,0,0]=4 667 B11R1.20 O=C(O)CC1=NC=C(O)C=C1 W18187 [1,0,0,0,0,1|1,0,0]=3 668 B11R1.266 C=CC1=CC=CC(C(=O)O)=C1 F16168 [0,0,0,0,1,1|1,0,1]=4 669 B11R1.266 CCC1=CC(C(=O)O)=NC=C1 FD10613 [0,0,0,0,1,1|1,0,0]=3 670 B11R1.266 CCC1=CC=CC(C(=O)O)=C1 C13682 [0,0,0,0,1,1|1,0,0]=3 671 B11R1.266 CNC1=CC=CC(C(=O)O)=N1 O11509 [0,0,0,0,1,1|2,0,0]=4 672 B11R1.266 COC1=CC(C(=N)N)=NC=C1 67981 [0,0,0,0,1,1|2,0,0]=4 673 B11R1.266 COC1=CC(C(=O)O)=CN=N1 P13867 [0,0,0,0,1,1|1,0,0]=3 674 B11R1.266 COC1=CC(C(=O)O)=NC=N1 P10129 [0,0,0,0,1,1|1,0,0]=3 675 B11R1.266 COC1=CC(C(C)=O)=NC=C1 52385 [0,0,0,0,1,1|1,0,0]=3 676 B11R1.266 COC1=CC=CC(C(N)=O)=N1 C77359 [0,0,0,0,1,1|2,0,0]=4 677 B11R1.266 COC1=CC=NC(C(C)=O)=N1 D83386 [0,0,0,0,1,1|2,0,0]=4 678 B11R1.266 COC1=CN=CC(C(=O)O)=N1 26232 [0,0,0,0,1,1|1,0,0]=3 679 B11R1.266 COC1=NC=CC(C(=O)O)=N1 C76423 [0,0,0,0,1,1|1,0,0]=3 680 B11R1.266 COC1=NC=CC(C(C)=O)=C1 29192 [0,0,0,0,1,1|1,0,0]=3 681 B11R1.266 COC1=NC=CC(C(C)=O)=N1 D85888 [0,0,0,0,1,1|2,0,0]=4 682 B11R1.266 CSC1=NC(C(=O)O)=CC=N1 24986 [0,0,0,0,1,1|1,1,0]=4 683 B11R1.266 O=C(O)C1=CC(CO)=CC=C1 AB9436 [0,0,0,0,1,1|2,0,0]=4 684 B11R1.266 O=C(O)C1=CC(CO)=NC=C1 A10630 [0,0,0,0,1,1|2,0,0]=4 685 B11R1.266 O=CC1=NC=CC(C(=O)O)=C1 36339 [0,0,0,0,1,1|2,0,0]=4 686 B13R1.3 CCC1=CC=C(\C=C\C(=O)O)C=C1 D86907 [0,0,0,0,0,2|1,0,0]=3 687 B13R1.3 COC1=CC=C(COC(=O)Cl)C=C1 D81342 [0,0,0,0,0,2|1,0,0]=3 688 B13R1.3 COC1=CC=C(\C=C\C(C)=O)C=C1 A11033 [0,0,0,0,0,2|1,0,0]=3 689 B13R1.3 COC1=NC=C(CCC(=O)O)C=C1 72582 [0,0,0,0,0,2|1,0,0]=3 690 B13R1.3 CSC1=CC=C(\C=C\C(=O)O)C=C1 C71095 [0,0,0,0,0,2|0,1,0]=3 691 B13R1.3 N#CC1=CC=C(OCC(=O)O)C=C1 A50582 [0,0,0,0,0,2|2,0,0]=4