0 B11R1.3 C#CC1=CC=C(B(O)O)C=C1 P39238 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 O28118 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.3 C#CC1=CC=C(C(=O)O)C=N1 Q53214 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 O27991 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.3 C#CC1=CC=C([N+](=O)[O-])C=C1 S86243 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 L20737 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 P36753 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.3 CC(O)C1=CC=C(C#N)C=C1 P37663 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.3 CCC1=CC=C(C(C)=O)C=N1 Q53712 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.3 CCC1=CC=C(C(C)N)C=C1 P41160 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.3 CCC1=CC=C(C(C)O)C=C1 M22873 [0,0,0,0,0,0|2,0,1]=3 11 B11R1.3 CCC1=CN=C(C(=O)O)C=N1 P43454 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.3 CCC1=NC=C(C(=O)O)C=C1 Q60524 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.3 CNC1=CC=C(B(O)O)C=N1 Q53819 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.3 CNC1=CC=C(N(C)C)C=C1 P37575 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.3 CNC1=CC=C([N+](=O)[O-])C=C1 P50006 [0,0,0,0,0,0|2,0,1]=3 16 B11R1.3 CNC1=CC=C([N+](=O)[O-])N=C1 Q58201 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.3 COC1=CC=C(C(N)=S)C=N1 O31104 [0,0,0,0,0,0|2,1,0]=3 18 B11R1.3 COC1=CN=C(B(O)O)C=C1 Q52650 [0,0,0,0,0,0|2,0,1]=3 19 B11R1.3 COC1=CN=C(C(=O)O)C=C1 Q68348 [0,0,0,0,0,0|1,0,0]=1 20 B11R1.3 COC1=CN=C(C(=O)O)C=N1 O31701 [0,0,0,0,0,0|2,0,0]=2 21 B11R1.3 COC1=CN=C(C(=O)O)N=C1 Q52332 [0,0,0,0,0,0|2,0,0]=2 22 B11R1.3 COC1=CN=C([C@@H](C)N)C=C1 Q62470 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.3 COC1=NC=C(B(O)O)C=N1 Q66519 [0,0,0,0,0,0|3,0,1]=4 24 B11R1.3 COC1=NC=C(C(=O)O)C=N1 Q67508 [0,0,0,0,0,0|2,0,0]=2 25 B11R1.3 COC1=NN=C(C(=O)O)C=C1 L22364 [0,0,0,0,0,0|2,0,0]=2 26 B11R1.3 CSC1=NC=C(B(O)O)C=C1 Q66559 [0,0,0,0,0,0|2,1,1]=4 27 B11R1.3 CSC1=NC=C(C(=O)O)C=C1 N24630 [0,0,0,0,0,0|1,1,0]=2 28 B11R1.3 N#CC1=CC=C(C(=O)Cl)C=C1 P43237 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.3 N#CC1=CC=C(C(N)=O)C=C1 P38941 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.3 N#CC1=CN=C(C(=O)O)C=C1 P43253 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.3 N#CC1=NC=C(C(=O)O)C=C1 E-3027 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.3 N#CC1=NC=C(C(=O)O)C=N1 G-6152 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.3 NC(=O)C1=CC=C(C=O)C=C1 P37128 [0,0,0,0,0,0|3,0,0]=3 34 B11R1.3 NCC1=CC=C(B(O)O)C=C1 O30152 [0,0,0,0,0,0|3,0,1]=4 35 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 O28757 [0,0,0,0,0,0|3,0,0]=3 36 B11R1.3 NCC1=CC=C([N+](=O)[O-])C=C1 P50970 [0,0,0,0,0,0|3,0,1]=4 37 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 G-5405 [0,0,0,0,0,0|3,0,0]=3 38 B11R1.3 NOC1=CC=C([N+](=O)[O-])C=C1 A-701 [0,0,0,0,0,0|2,0,1]=3 39 B11R1.3 O=C(O)C1=CC=C(CO)N=C1 P44354 [0,0,0,0,0,0|3,0,0]=3 40 B11R1.3 O=C(O)C1=CC=C(CS)C=C1 P38363 [0,0,0,0,0,0|2,0,0]=2 41 B11R1.3 O=CC1=CC=C(C(=O)O)C=N1 Q62284 [0,0,0,0,0,0|3,0,0]=3 42 B11R1.3 O=CC1=CN=C(C(=O)O)C=C1 Q60215 [0,0,0,0,0,0|3,0,0]=3 43 B11R1.3 OB(O)C1=CC=C(CBr)C=C1 G-6969 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.3 C#CC1=CC=C(C=O)C=C1 P36909 [1,0,0,0,0,0|1,0,1]=3 45 B10R1.3 C#CC1=CC=C(CO)C=C1 O28046 [1,0,0,0,0,0|1,0,2]=4 46 B10R1.3 C#CC1=CC=C(NC)C=C1 M22819 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.3 C#CC1=CC=C(OC)N=C1 C-3464 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.3 C(=O)C1=CN=C(SC)N=C1 L18112 [1,0,0,0,0,0|2,1,0]=4 49 B10R1.3 C(=O)C1=NC=C(C#C)C=C1 Q52327 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.3 C(=O)C1=NC=C(C#N)C=C1 Q52328 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.3 CCC1=CC=C(CO)C=C1 Q68223 [1,0,0,0,0,0|1,0,1]=3 52 B10R1.3 CCC1=NC=C(C=O)C=C1 Q60469 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.3 CNC1=CC=C(CO)C=C1 P40364 [1,0,0,0,0,0|1,0,1]=3 54 B10R1.3 CNC1=NC=C(C=O)C=C1 Q55452 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.3 CNC1=NC=C(C=O)C=N1 Q61059 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.3 COC1=CC=C(C#N)C=N1 P40898 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.3 COC1=CC=C(CBr)C=C1 Q67503 [1,0,0,0,0,0|1,0,1]=3 58 B10R1.3 COC1=CC=C(CBr)C=N1 N25219 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.3 COC1=CC=C(CN)N=C1 Q52335 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.3 COC1=CC=C(NN)C=C1 P43291 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.3 COC1=CN=C(C#N)C=C1 G-6236 [1,0,0,0,0,0|2,0,1]=4 62 B10R1.3 COC1=CN=C(C=O)C=C1 N24757 [1,0,0,0,0,0|1,0,0]=2 63 B10R1.3 COC1=CN=C(C=O)C=N1 O29829 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.3 COC1=CN=C(C=O)N=C1 I-9829 [1,0,0,0,0,0|2,0,0]=3 65 B10R1.3 COC1=CN=C(CCl)C=C1 L13052 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.3 COC1=CN=C(CO)C=C1 I-9706 [1,0,0,0,0,0|1,0,1]=3 67 B10R1.3 COC1=CN=C(OC)C=C1 Q67646 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.3 COC1=NC=C(C=O)C=N1 Q67228 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.3 COC1=NC=C(CN)C=C1 C-3721 [1,0,0,0,0,0|2,0,1]=4 70 B10R1.3 COC1=NC=C(CN)C=C1 G-6806 [1,0,0,0,0,0|2,0,1]=4 71 B10R1.3 COC1=NC=C(CO)C=C1 C-3532 [1,0,0,0,0,0|1,0,1]=3 72 B10R1.3 COC1=NC=C(CO)C=N1 L14377 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.3 CSC1=CC=C(NN)C=C1 O30693 [1,0,0,0,0,0|2,1,0]=4 74 B10R1.3 CSC1=NC=C(C=O)C=C1 N24581 [1,0,0,0,0,0|1,1,0]=3 75 B10R1.3 CSC1=NC=C(CO)C=C1 N25545 [1,0,0,0,0,0|1,1,1]=4 76 B10R1.3 N#CC1=CC=C(CO)C=C1 P35569 [1,0,0,0,0,0|2,0,1]=4 77 B10R1.3 N#CC1=NC=C(C=O)C=C1 P43460 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.3 NCC1=CC=C(CO)C=C1 P38312 [1,0,0,0,0,0|2,0,1]=4 79 B10R1.3 O=CC1=CC=C(CBr)N=C1 Q62346 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.3 O=CC1=CC=C(CCl)C=C1 P45270 [1,0,0,0,0,0|2,0,0]=3 81 B10R1.3 O=CC1=CC=C(CO)C=C1 P37667 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.3 OCC1=CC=C(CBr)C=C1 O28910 [1,0,0,0,0,0|2,0,1]=4 83 B10R1.3 OCC1=CC=C(CCl)C=C1 P40748 [1,0,0,0,0,0|2,0,1]=4 84 B10R1.13 CC(=O)C1=CC=C(F)N=C1 P35858 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 Q67245 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.13 CC(=O)C1=CN=C(C)C=C1 M15462 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.13 CC(=O)C1=CN=C(C)N=C1 H-8030 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.13 CC(=O)C1=CN=C(N)C=C1 Q55451 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 O30755 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.13 CC(=O)C1=NC=C(C)C=C1 O31151 [1,0,0,0,0,0|2,0,0]=3 91 B10R1.13 CC(=O)C1=NC=C(C)C=N1 O31005 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.13 CC(=O)C1=NC=C(C)N=C1 F-4678 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 P34872 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.13 CC(=O)C1=NC=C(F)C=C1 O30491 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.13 CC(=O)C1=NN=C(O)C=C1 P51623 [1,0,0,0,0,0|3,0,0]=4 96 B10R1.13 CC(O)C1=CC=C(N)C=C1 P41199 [1,0,0,0,0,0|2,0,1]=4 97 B10R1.13 CC(O)C1=CC=C(O)C=C1 P39467 [1,0,0,0,0,0|1,0,1]=3 98 B10R1.13 CC1=CC=C(C(C)Br)C=C1 M23020 [1,0,0,0,0,0|2,0,1]=4 99 B10R1.13 CC1=CC=C(C(C)O)C=N1 P43130 [1,0,0,0,0,0|2,0,1]=4 100 B10R1.13 CC1=CN=C(C(=O)O)C=N1 G-7280 [1,0,0,0,0,0|2,0,0]=3 101 B10R1.13 CC1=CN=C(C(=O)O)N=C1 G-6321 [1,0,0,0,0,0|2,0,0]=3 102 B10R1.13 CC1=NC=C(B(O)O)C=C1 Q66950 [1,0,0,0,0,0|2,0,1]=4 103 B10R1.13 CC1=NC=C(C(=O)O)C=N1 P44549 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 I-9184 [1,0,0,0,0,0|2,0,1]=4 105 B10R1.13 NC(=O)C1=CC=C(Br)N=C1 P35365 [1,0,0,0,0,0|3,0,0]=4 106 B10R1.13 NC(=O)C1=CC=C(F)N=C1 Q58490 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 O30890 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 N24759 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.13 NC(=O)C1=NC=C(N)C=C1 O30308 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.13 NC(=O)C1=NC=C(O)C=C1 P44353 [1,0,0,0,0,0|2,0,0]=3 111 B10R1.13 NC1=CC=C(B(O)O)C=C1 Q66344 [1,0,0,0,0,0|2,0,1]=4 112 B10R1.13 NC1=CN=C(C(=O)O)C=C1 E-3036 [1,0,0,0,0,0|2,0,0]=3 113 B10R1.13 NC1=CN=C(C(=O)O)C=N1 10608 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.13 NC1=CN=C(C(=O)O)N=C1 O33536 [1,0,0,0,0,0|3,0,0]=4 115 B10R1.13 NC1=NC=C(C(=O)O)C=C1 C-3709 [1,0,0,0,0,0|2,0,0]=3 116 B10R1.13 NC1=NN=C(C(=O)O)C=C1 G-5218 [1,0,0,0,0,0|3,0,0]=4 117 B10R1.13 O=C(Cl)C1=NC=C(Cl)C=C1 N25108 [1,0,0,0,0,0|3,0,0]=4 118 B10R1.13 O=C(O)C1=CC=C(F)N=C1 E-3040 [1,0,0,0,0,0|2,0,0]=3 119 B10R1.13 O=C(O)C1=CC=C(O)N=N1 C-2295 [1,0,0,0,0,0|2,0,0]=3 120 B10R1.13 O=C(O)C1=CN=C(Br)N=C1 Q64836 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 G-5309 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.13 O=C(O)C1=CN=C(O)N=C1 O31007 [1,0,0,0,0,0|2,0,0]=3 123 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 G-6770 [1,0,0,0,0,0|2,0,0]=3 124 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 Q52548 [1,0,0,0,0,0|3,0,0]=4 125 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 G-7253 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 B-1219 [1,0,0,0,0,0|3,0,0]=4 127 B10R1.13 O=C(O)C1=NC=C(F)C=C1 P42746 [1,0,0,0,0,0|2,0,0]=3 128 B10R1.13 O=C(O)C1=NC=C(F)C=N1 H-8066 [1,0,0,0,0,0|3,0,0]=4 129 B10R1.13 O=C(O)C1=NC=C(O)C=C1 G-6588 [1,0,0,0,0,0|1,0,0]=2 130 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 L14250 [1,0,0,0,0,0|3,0,0]=4 131 B10R1.13 O=C(O)C1=NN=C(Cl)C=C1 B-1753 [1,0,0,0,0,0|3,0,0]=4 132 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=N1 10648 [1,0,0,0,0,0|2,0,1]=4 133 B10R1.13 OB(O)C1=CC=C(O)N=C1 Q68881 [1,0,0,0,0,0|2,0,1]=4 134 B10R1.13 OB(O)C1=CC=C(S)C=C1 P39473 [1,0,0,0,0,0|1,1,1]=4 135 B12R1.5 C#CC1=CC=C(C(=O)NC)C=C1 M22822 [0,1,0,0,0,0|2,0,1]=4 136 B12R1.5 C#CC1=CN=C(C(=O)OC)C=C1 O30938 [0,1,0,0,0,0|2,0,1]=4 137 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 P35874 [0,1,0,0,0,0|2,0,1]=4 138 B12R1.5 CCC(O)C1=CC=C(OC)C=C1 P37583 [0,1,0,0,0,0|1,0,1]=3 139 B12R1.5 CCC1=CC=C(C(=O)NN)C=C1 O30882 [0,1,0,0,0,0|2,0,0]=3 140 B12R1.5 CCC1=CC=C(C(=O)OC)C=C1 Q68222 [0,1,0,0,0,0|1,0,0]=2 141 B12R1.5 CNC(=O)C1=CC=C(C#N)C=C1 P38527 [0,1,0,0,0,0|3,0,0]=4 142 B12R1.5 CNC(=O)C1=CC=C(C=O)C=C1 O31510 [0,1,0,0,0,0|3,0,0]=4 143 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 O28734 [0,1,0,0,0,0|3,0,0]=4 144 B12R1.5 COC(=O)C1=CC=C(C#N)N=C1 I-9400 [0,1,0,0,0,0|3,0,0]=4 145 B12R1.5 COC(=O)C1=CC=C(CN)N=C1 10790 [0,1,0,0,0,0|3,0,0]=4 146 B12R1.5 COC(=O)C1=CC=C(OC)C=N1 Q56358 [0,1,0,0,0,0|1,0,0]=2 147 B12R1.5 COC(=O)C1=CN=C(CBr)C=C1 M23178 [0,1,0,0,0,0|3,0,0]=4 148 B12R1.5 COC(=O)C1=CN=C(CCl)C=C1 M15191 [0,1,0,0,0,0|3,0,0]=4 149 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 L14676 [0,1,0,0,0,0|3,0,0]=4 150 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 Q57226 [0,1,0,0,0,0|3,0,0]=4 151 B12R1.5 COC(=O)C1=CN=C(OC)N=C1 Q67509 [0,1,0,0,0,0|2,0,0]=3 152 B12R1.5 COC(=O)C1=CN=C(SC)C=C1 O29122 [0,1,0,0,0,0|1,1,0]=3 153 B12R1.5 COC(=O)C1=CN=C(SC)N=C1 O31159 [0,1,0,0,0,0|2,1,0]=4 154 B12R1.5 COC(=O)C1=NC=C(C#N)C=C1 Q62332 [0,1,0,0,0,0|3,0,0]=4 155 B12R1.5 COC(=O)C1=NC=C(C=O)C=C1 O30091 [0,1,0,0,0,0|3,0,0]=4 156 B12R1.5 COC(=O)C1=NC=C(CBr)C=C1 P37418 [0,1,0,0,0,0|3,0,0]=4 157 B12R1.5 COC(=O)C1=NC=C(OC)C=N1 P48338 [0,1,0,0,0,0|2,0,0]=3 158 B12R1.5 COC1=CC=C(C(=N)NO)C=N1 O29481 [0,1,0,0,0,0|2,0,0]=3 159 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 P40807 [0,1,0,0,0,0|0,0,1]=2 160 B12R1.5 COC1=CC=C(C(N)CO)C=C1 P41432 [0,1,0,0,0,0|1,0,1]=3 161 B12R1.5 COC1=CC=C(C(O)CN)C=C1 P37470 [0,1,0,0,0,0|1,0,1]=3 162 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 P43091 [0,1,0,0,0,0|1,0,1]=3 163 B12R1.5 COC1=CC=C([C@H](N)CO)C=C1 P40188 [0,1,0,0,0,0|1,0,1]=3 164 B12R1.5 COC1=CN=C(\C(Cl)=N\O)C=N1 P43702 [0,1,0,0,0,0|3,0,0]=4 165 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 P42415 [0,1,0,0,0,0|2,0,1]=4 166 B12R1.6 COC1=CC=C(S(=O)(=O)Cl)C=N1 O30493 [0,1,0,0,0,0|2,0,1]=4 167 B12R1.6 COC1=CC=C([B-](F)(F)F)C=C1 Q66553 [0,1,0,0,0,0|3,0,0]=4 168 B12R1.6 COC1=CN=C(S(=O)(=O)Cl)C=C1 Q53703 [0,1,0,0,0,0|2,0,1]=4 169 B12R1.6 O=CC1=CC=C(S(=O)(=O)O)C=C1 O31040 [0,1,0,0,0,0|3,0,0]=4 170 B12R1.48 CC1=C(C=O)C=CC(C(=O)O)=C1 N24734 [0,1,0,0,0,0|2,0,0]=3 171 B12R1.48 CCC1=CN=C(C(=O)O)C=C1C S72490 [0,1,0,0,0,0|2,0,0]=3 172 B12R1.48 CNC1=CC=C(C(C)=O)C=C1N O31571 [0,1,0,0,0,0|2,0,0]=3 173 B12R1.48 COC1=C(Br)C=C(B(O)O)C=C1 N26872 [0,1,0,0,0,0|1,0,1]=3 174 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=N1 P44401 [0,1,0,0,0,0|1,0,0]=2 175 B12R1.48 COC1=C(Br)N=C(C(=O)O)C=C1 A-739 [0,1,0,0,0,0|1,0,0]=2 176 B12R1.48 COC1=C(F)C=C(C(=O)O)C=N1 S72635 [0,1,0,0,0,0|1,0,0]=2 177 B12R1.48 COC1=C(O)C=C(B(O)O)C=C1 N26398 [0,1,0,0,0,0|1,0,1]=3 178 B12R1.48 COC1=C(O)C=C(C(=O)O)C=N1 Q60788 [0,1,0,0,0,0|1,0,0]=2 179 B12R1.48 COC1=CC=C(C(C)=O)C=C1C Q67903 [0,1,0,0,0,0|1,0,0]=2 180 B12R1.48 COC1=CC=C(C(C)C)C=C1Br Q67537 [0,1,0,0,0,0|2,0,1]=4 181 B12R1.48 COC1=CN=C(C(=O)O)C=C1Cl L21805 [0,1,0,0,0,0|1,0,0]=2 182 B12R1.48 COC1=NC=C(B(O)O)C=C1C Q67202 [0,1,0,0,0,0|2,0,1]=4 183 B12R1.48 COC1=NC=C(B(O)O)C=C1Cl Q66442 [0,1,0,0,0,0|2,0,1]=4 184 B12R1.48 COC1=NC=C(C(=O)O)C=C1C N26013 [0,1,0,0,0,0|1,0,0]=2 185 B12R1.48 COC1=NC=C([N+](=O)[O-])C=C1C Q67524 [0,1,0,0,0,0|2,0,1]=4 186 B12R1.48 CSC1=C(C)C=C(B(O)O)C=C1 N27301 [0,1,0,0,0,0|1,1,1]=4 187 B12R1.48 CSC1=C(Cl)C=C(B(O)O)C=C1 N25300 [0,1,0,0,0,0|1,1,1]=4 188 B12R1.48 CSC1=C(Cl)C=C(C(=O)O)C=C1 N25372 [0,1,0,0,0,0|0,1,0]=2 189 B12R1.48 CSC1=C(F)C=C(B(O)O)C=C1 N24519 [0,1,0,0,0,0|1,1,1]=4 190 B12R1.48 CSC1=NC=C(C(=O)O)C=C1C N25880 [0,1,0,0,0,0|1,1,0]=3 191 B12R1.48 NCC1=CC=C(C(=O)O)C=C1Cl P40738 [0,1,0,0,0,0|2,0,0]=3 192 B12R1.48 O=CC1=C(Cl)C=C(C(=O)O)C=C1 N26294 [0,1,0,0,0,0|2,0,0]=3 193 B12R1.48 O=CC1=CC=C(C(=O)O)C=C1O P37037 [0,1,0,0,0,0|2,0,0]=3 194 B12R1.113 CCNC1=CC=C([N+](=O)[O-])C=C1 P38512 [0,1,0,0,0,0|2,0,1]=4 195 B12R1.113 CCOC1=CC=C(C(C)N)C=C1 P42866 [0,1,0,0,0,0|2,0,1]=4 196 B12R1.113 CCOC1=NC=C(B(O)O)C=C1 Q66482 [0,1,0,0,0,0|2,0,1]=4 197 B12R1.113 CCOC1=NC=C(C(=O)O)C=C1 P34777 [0,1,0,0,0,0|1,0,0]=2 198 B12R1.113 CCOC1=NC=C(C(=O)O)C=N1 Q60833 [0,1,0,0,0,0|2,0,0]=3 199 B12R1.113 CNCC1=CC=C(C(=O)O)C=C1 P34800 [0,1,0,0,0,0|1,0,0]=2 200 B12R1.113 CNCC1=CC=C(C(N)=O)C=C1 P42469 [0,1,0,0,0,0|2,0,0]=3 201 B12R1.113 COCC1=CC=C(C(=O)O)C=C1 P36718 [0,1,0,0,0,0|0,0,0]=1 202 B12R1.113 NCCC1=CC=C(C(=O)O)C=C1 P37127 [0,1,0,0,0,0|1,0,0]=2 203 B12R1.113 OCCC1=CC=C(B(O)O)C=C1 O30369 [0,1,0,0,0,0|2,0,1]=4 204 B12R1.256 C=C(C)C1=CN=C(C(=O)O)C=C1 K12258 [0,1,0,0,0,0|2,0,0]=3 205 B12R1.256 CC(=O)C1=CC=C(C(N)=O)C=C1 P36717 [0,1,0,0,0,0|2,0,0]=3 206 B12R1.256 CC(=O)C1=CN=C(C(=O)O)C=C1 O29701 [0,1,0,0,0,0|2,0,0]=3 207 B12R1.256 CC(=O)C1=CN=C(C(C)C)C=C1 H-8735 [0,1,0,0,0,0|3,0,0]=4 208 B12R1.256 CC(C)C1=CN=C(C(=O)O)C=C1 K12257 [0,1,0,0,0,0|2,0,0]=3 209 B12R1.256 CC(N)C1=CC=C(C(=O)O)C=C1 O28758 [0,1,0,0,0,0|1,0,0]=2 210 B12R1.256 CC(N)C1=CC=C([N+](=O)[O-])C=C1 P38148 [0,1,0,0,0,0|2,0,1]=4 211 B12R1.256 CC(O)C1=CC=C(N(C)C)C=C1 P37588 [0,1,0,0,0,0|2,0,1]=4 212 B12R1.256 CC(O)C1=CC=C([N+](=O)[O-])C=C1 Q65977 [0,1,0,0,0,0|2,0,1]=4 213 B12R1.256 CN(C)C1=CC=C(B(O)O)C=C1 Q66458 [0,1,0,0,0,0|2,0,1]=4 214 B12R1.256 CN(C)C1=CC=C(B(O)O)C=C1 Q67403 [0,1,0,0,0,0|2,0,1]=4 215 B12R1.256 CN(C)C1=CC=C(C(=O)O)C=N1 P35906 [0,1,0,0,0,0|2,0,0]=3 216 B12R1.256 CN(C)C1=CN=C(C(=O)O)C=C1 Q60887 [0,1,0,0,0,0|2,0,0]=3 217 B12R1.256 CN(C)C1=NC=C(C(=O)O)C=N1 O29180 [0,1,0,0,0,0|3,0,0]=4 218 B12R1.256 CN(C)C1=NN=C(C(=O)O)C=C1 L21031 [0,1,0,0,0,0|3,0,0]=4 219 B12R1.256 O=C(O)C1=CC=C(C(F)F)C=C1 P37424 [0,1,0,0,0,0|2,0,0]=3 220 B12R1.256 O=C(O)C1=CN=C(C(F)F)C=C1 Q60713 [0,1,0,0,0,0|3,0,0]=4 221 B12R1.256 O=C(O)C1=NC=C(B(O)O)C=C1 N25170 [0,1,0,0,0,0|3,0,0]=4 222 B12R1.256 O=C(O)C1=NC=C(C(F)F)C=C1 P43198 [0,1,0,0,0,0|3,0,0]=4 223 B12R1.256 O=C(O)C1=NC=C([N+](=O)[O-])C=C1 P38921 [0,1,0,0,0,0|3,0,0]=4 224 B12R1.452 CC1=CC(C#N)=CN=C1C(=O)O O29650 [0,1,0,0,0,0|3,0,0]=4 225 B12R1.452 CC1=CC(C=O)=CC=C1C(=O)O N26360 [0,1,0,0,0,0|2,0,0]=3 226 B12R1.452 CCC1=CC=C(C(=O)O)C(F)=C1 K12290 [0,1,0,0,0,0|1,0,0]=2 227 B12R1.452 CCC1=CC=C(C(=O)O)C(N)=C1 K12293 [0,1,0,0,0,0|1,0,0]=2 228 B12R1.452 CCC1=NC=C(C(=O)O)C(=O)N1 Q58741 [0,1,0,0,0,0|3,0,0]=4 229 B12R1.452 COC1=CC(C)=C(C(=O)O)C=N1 Q67661 [0,1,0,0,0,0|1,0,0]=2 230 B12R1.452 COC1=CC(Cl)=C([N+](=O)[O-])C=N1 L22514 [0,1,0,0,0,0|2,0,1]=4 231 B12R1.452 COC1=CC(N)=C(C(=O)O)C=N1 P44270 [0,1,0,0,0,0|1,0,0]=2 232 B12R1.452 COC1=CC(O)=C(B(O)O)C=C1 N27743 [0,1,0,0,0,0|1,0,1]=3 233 B12R1.452 COC1=CC=C(B(O)O)C(Br)=C1 N26729 [0,1,0,0,0,0|1,0,1]=3 234 B12R1.452 COC1=CC=C(B(O)O)C(C)=N1 N24811 [0,1,0,0,0,0|2,0,1]=4 235 B12R1.452 COC1=CC=C(B(O)O)C(Cl)=N1 N25158 [0,1,0,0,0,0|2,0,1]=4 236 B12R1.452 COC1=CC=C(C(=O)O)C(C)=N1 N24695 [0,1,0,0,0,0|1,0,0]=2 237 B12R1.452 COC1=CC=C(C(=O)O)C(Cl)=N1 N24433 [0,1,0,0,0,0|1,0,0]=2 238 B12R1.452 COC1=CC=C(C(C)C)C(F)=C1 C-3733 [0,1,0,0,0,0|2,0,1]=4 239 B12R1.452 COC1=CC=C(C(C)O)C(F)=C1 N25311 [0,1,0,0,0,0|1,0,1]=3 240 B12R1.452 COC1=CC=C(C(N)=O)C(N)=C1 M23146 [0,1,0,0,0,0|1,0,0]=2 241 B12R1.452 COC1=CC=C([N+](=O)[O-])C(Br)=N1 O30690 [0,1,0,0,0,0|2,0,1]=4 242 B12R1.452 COC1=CN=C(C(=O)O)C(C)=C1 Q60878 [0,1,0,0,0,0|1,0,0]=2 243 B12R1.452 COC1=CN=C(C(=O)O)C(Cl)=C1 L13826 [0,1,0,0,0,0|1,0,0]=2 244 B12R1.452 COC1=NC(N)=C(C(=O)O)C=C1 P51606 [0,1,0,0,0,0|1,0,0]=2 245 B12R1.452 COC1=NC=C(B(O)O)C(C)=C1 N24845 [0,1,0,0,0,0|2,0,1]=4 246 B12R1.452 COC1=NC=C(C(=O)O)C(C)=C1 Q60522 [0,1,0,0,0,0|1,0,0]=2 247 B12R1.452 COC1=NC=C([N+](=O)[O-])C(N)=C1 O30157 [0,1,0,0,0,0|2,0,1]=4 248 B12R1.452 CSC1=CC=C(B(O)O)C(C)=C1 N26141 [0,1,0,0,0,0|1,1,1]=4 249 B12R1.452 CSC1=CC=C(B(O)O)C(F)=C1 N25696 [0,1,0,0,0,0|1,1,1]=4 250 B12R1.452 CSC1=CC=C(C(=O)O)C(C)=C1 N26500 [0,1,0,0,0,0|0,1,0]=2 251 B12R1.452 CSC1=NC=C(C(=O)O)C(C)=C1 N27762 [0,1,0,0,0,0|1,1,0]=3 252 B12R1.452 N#CC1=CC(Cl)=C(C(=O)O)C=C1 L21511 [0,1,0,0,0,0|2,0,0]=3 253 B12R1.452 N#CC1=CC(Cl)=C(C(=O)O)N=C1 Q60499 [0,1,0,0,0,0|3,0,0]=4 254 B12R1.452 N#CC1=CN=C(C(=O)O)C(F)=C1 O29919 [0,1,0,0,0,0|3,0,0]=4 255 B12R1.452 NCC1=CC=C(C(=O)O)C(Cl)=C1 P42290 [0,1,0,0,0,0|2,0,0]=3 256 B10R1.31 CCC1=CC(C(=O)O)=NN1 O31066 [0,0,0,0,1,0|3,0,0]=4 257 B10R1.31 CCC1=CC=C(C(=O)O)S1 Q68130 [0,0,0,0,1,0|2,0,0]=3 258 B10R1.31 CCN1C=C(C(=O)O)C=N1 H-8578 [0,0,0,0,1,0|3,0,0]=4 259 B10R1.31 CCN1C=CC(C(=O)O)=N1 H-8297 [0,0,0,0,1,0|3,0,0]=4 260 B10R1.31 CCN1C=NC(C(=O)O)=C1 F-4731 [0,0,0,0,1,0|3,0,0]=4 261 B10R1.31 COC1=CSC(C(=O)O)=C1 O30204 [0,0,0,0,1,0|1,0,0]=2 262 B10R1.31 N#CC1=CC=C(C(=O)O)O1 Q69824 [0,0,0,0,1,0|3,0,0]=4 263 B10R1.31 O=CC1=CC=C(C(=O)O)S1 O31938 [0,0,0,0,1,0|3,0,0]=4 264 B12R1.4 C#CC1=CC=C(CC(=O)O)C=C1 P39766 [0,0,0,0,0,1|1,0,1]=3 265 B12R1.4 C#CC1=CC=C(CC(=O)O)C=N1 Q62378 [0,0,0,0,0,1|2,0,1]=4 266 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 P39368 [0,0,0,0,0,1|3,0,0]=4 267 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 L19340 [0,0,0,0,0,1|2,0,0]=3 268 B12R1.4 COC1=CC=C(CC(=O)[O-])C=C1 Q66992 [0,0,0,0,0,1|0,0,1]=2 269 B12R1.4 COC1=CC=C(NC(C)C)C=C1 P40746 [0,0,0,0,0,1|2,0,1]=4 270 B12R1.4 COC1=CC=C(OC(C)=O)C=C1 Q67288 [0,0,0,0,0,1|1,0,0]=2 271 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 P42337 [0,0,0,0,0,1|2,0,0]=3 272 B9R1.1 C(=O)C1=CN=C(Cl)C=C1 E-3026 [2,0,0,0,0,0|2,0,0]=4 273 B9R1.1 C=CC1=CN=C(C)C=C1 L13585 [2,0,0,0,0,0|2,0,0]=4 274 B9R1.1 CC1=CC=C(CO)C=N1 H-8186 [2,0,0,0,0,0|1,0,1]=4 275 B9R1.1 CC1=CN=C(C=O)C=C1 Q67276 [2,0,0,0,0,0|1,0,0]=3 276 B9R1.1 CC1=CN=C(C=O)C=N1 O30472 [2,0,0,0,0,0|2,0,0]=4 277 B9R1.1 CC1=CN=C(C=O)N=C1 G-6319 [2,0,0,0,0,0|2,0,0]=4 278 B9R1.1 CC1=CN=C(CO)C=C1 N24952 [2,0,0,0,0,0|1,0,1]=4 279 B9R1.1 CC1=NC=C(C=O)C=C1 C-2363 [2,0,0,0,0,0|1,0,0]=3 280 B9R1.1 CC1=NC=C(C=O)C=N1 A-729 [2,0,0,0,0,0|2,0,0]=4 281 B9R1.1 CNC1=CC=C(I)C=C1 P37124 [2,0,0,0,0,0|2,0,0]=4 282 B9R1.1 CNC1=CC=C(N)C=C1 P37009 [2,0,0,0,0,0|2,0,0]=4 283 B9R1.1 CNC1=CC=C(O)C=C1 P41056 [2,0,0,0,0,0|1,0,0]=3 284 B9R1.1 COC1=CN=C(Br)C=C1 Q67224 [2,0,0,0,0,0|2,0,0]=4 285 B9R1.1 COC1=CN=C(Cl)C=C1 Q67222 [2,0,0,0,0,0|2,0,0]=4 286 B9R1.1 COC1=CN=C(F)C=C1 N24701 [2,0,0,0,0,0|2,0,0]=4 287 B9R1.1 COC1=CN=C(N)C=C1 G-7588 [2,0,0,0,0,0|2,0,0]=4 288 B9R1.1 COC1=NC=C(C)C=C1 Q67071 [2,0,0,0,0,0|1,0,1]=4 289 B9R1.1 COC1=NC=C(F)C=C1 P37735 [2,0,0,0,0,0|2,0,0]=4 290 B9R1.1 COC1=NC=C(I)C=C1 Q67264 [2,0,0,0,0,0|2,0,0]=4 291 B9R1.1 COC1=NC=C(O)C=C1 Q67584 [2,0,0,0,0,0|1,0,0]=3 292 B9R1.1 NC1=CC=C(C=O)C=N1 L13611 [2,0,0,0,0,0|2,0,0]=4 293 B9R1.1 O=CC1=CC=C(O)C=N1 P44434 [2,0,0,0,0,0|1,0,0]=3 294 B9R1.1 O=CC1=CN=C(F)C=C1 P50975 [2,0,0,0,0,0|2,0,0]=4 295 B9R1.1 O=CC1=NC=C(Cl)C=C1 Q67275 [2,0,0,0,0,0|2,0,0]=4 296 B9R1.1 O=CC1=NC=C(F)C=C1 O30696 [2,0,0,0,0,0|2,0,0]=4 297 B9R1.1 O=CC1=NN=C(O)C=C1 O30370 [2,0,0,0,0,0|2,0,0]=4 298 B9R1.1 OCC1=CC=C(S)C=C1 O32480 [2,0,0,0,0,0|0,1,1]=4 299 B9R1.6 CC(=O)C1=CC=CN=C1 P44672 [2,0,0,0,0,0|2,0,0]=4 300 B9R1.6 O=C(O)C1=CC=CN=N1 C-2266 [2,0,0,0,0,0|2,0,0]=4 301 B9R1.6 O=C(O)C1=CC=NC=N1 C-2226 [2,0,0,0,0,0|2,0,0]=4 302 B9R1.6 O=C(O)C1=CC=NN=C1 C-3207 [2,0,0,0,0,0|2,0,0]=4 303 B9R1.6 O=C(O)C1=CN=CC=N1 C-3429 [2,0,0,0,0,0|2,0,0]=4 304 B9R1.6 O=C(O)C1=CN=CN=C1 C-3274 [2,0,0,0,0,0|2,0,0]=4 305 B9R1.6 O=C(O)C1=NC=CC=N1 C-3378 [2,0,0,0,0,0|2,0,0]=4 306 B11R1.83 C=CCC1=CN=C(OC)C=C1 N26473 [1,1,0,0,0,0|2,0,0]=4 307 B11R1.83 CCNC1=CC=C(OC)C=C1 P42858 [1,1,0,0,0,0|1,0,1]=4 308 B11R1.83 CCOC1=CC=C(CBr)C=C1 P39282 [1,1,0,0,0,0|1,0,1]=4 309 B11R1.83 CCOC1=CN=C(C=O)C=C1 Q60410 [1,1,0,0,0,0|1,0,0]=3 310 B11R1.83 CCOC1=NC=C(C=O)C=C1 Q67337 [1,1,0,0,0,0|1,0,0]=3 311 B11R1.83 CCOC1=NC=C(C=O)C=N1 Q60425 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.83 COC1=CC=C(CCBr)C=C1 P41235 [1,1,0,0,0,0|1,0,1]=4 313 B11R1.83 COC1=CC=C(CNN)C=C1 C-3256 [1,1,0,0,0,0|1,0,1]=4 314 B11R1.83 COCC1=CC=C(C=O)C=C1 N25868 [1,1,0,0,0,0|0,0,0]=2 315 B11R1.83 COCC1=CC=C(CO)C=C1 M23214 [1,1,0,0,0,0|0,0,1]=3 316 B11R1.83 COCC1=NC=C(C=O)C=N1 S72556 [1,1,0,0,0,0|2,0,0]=4 317 B11R1.83 N#CC1=CC=C(CC=O)C=C1 K12007 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.279 C#CC1=CC=C(OC)C(F)=C1 M22820 [1,1,0,0,0,0|1,0,1]=4 319 B11R1.279 CC1=CC(C#N)=CC=C1C=O N25312 [1,1,0,0,0,0|2,0,0]=4 320 B11R1.279 CCC1=CC=C(OC)C=C1N O30194 [1,1,0,0,0,0|1,0,1]=4 321 B11R1.279 COC1=C(Br)N=C(C=O)C=C1 O34034 [1,1,0,0,0,0|1,0,0]=3 322 B11R1.279 COC1=C(Cl)C=C(CO)C=N1 Q67576 [1,1,0,0,0,0|1,0,1]=4 323 B11R1.279 COC1=CC(C)=C(CO)C=N1 N26452 [1,1,0,0,0,0|1,0,1]=4 324 B11R1.279 COC1=CC=C(C#N)C=C1N O31758 [1,1,0,0,0,0|1,0,1]=4 325 B11R1.279 COC1=CC=C(C=O)C(C)=C1 Q67923 [1,1,0,0,0,0|0,0,0]=2 326 B11R1.279 COC1=CC=C(C=O)C(C)=N1 N25093 [1,1,0,0,0,0|1,0,0]=3 327 B11R1.279 COC1=CC=C(C=O)C(Cl)=N1 N26232 [1,1,0,0,0,0|1,0,0]=3 328 B11R1.279 COC1=CC=C(C=O)C(N)=C1 O32243 [1,1,0,0,0,0|0,0,0]=2 329 B11R1.279 COC1=CC=C(C=O)N=C1C N27704 [1,1,0,0,0,0|1,0,0]=3 330 B11R1.279 COC1=CC=C(CBr)C=C1Br N25169 [1,1,0,0,0,0|1,0,1]=4 331 B11R1.279 COC1=CC=C(CO)C(Br)=C1 N24390 [1,1,0,0,0,0|0,0,1]=3 332 B11R1.279 COC1=CC=C(CO)C(C)=C1 N24982 [1,1,0,0,0,0|0,0,1]=3 333 B11R1.279 COC1=CC=C(CO)C(C)=N1 Q67841 [1,1,0,0,0,0|1,0,1]=4 334 B11R1.279 COC1=CC=C(CO)C(Cl)=C1 N25365 [1,1,0,0,0,0|0,0,1]=3 335 B11R1.279 COC1=CC=C(CO)C(Cl)=N1 N26191 [1,1,0,0,0,0|1,0,1]=4 336 B11R1.279 COC1=CC=C(CO)C(F)=C1 P38219 [1,1,0,0,0,0|0,0,1]=3 337 B11R1.279 COC1=CC=C(CO)C(O)=C1 N24302 [1,1,0,0,0,0|0,0,1]=3 338 B11R1.279 COC1=CC=C(CO)C=C1Br Q67814 [1,1,0,0,0,0|0,0,1]=3 339 B11R1.279 COC1=CC=C(CO)C=C1C Q67936 [1,1,0,0,0,0|0,0,1]=3 340 B11R1.279 COC1=CC=C(CO)C=C1Cl Q67888 [1,1,0,0,0,0|0,0,1]=3 341 B11R1.279 COC1=CC=C(CO)C=C1F Q65952 [1,1,0,0,0,0|0,0,1]=3 342 B11R1.279 COC1=CC=C(OC)C(O)=C1 N24557 [1,1,0,0,0,0|2,0,0]=4 343 B11R1.279 COC1=CN=C(C=O)C(C)=C1 Q60407 [1,1,0,0,0,0|1,0,0]=3 344 B11R1.279 COC1=CN=C(C=O)C=C1Cl O29323 [1,1,0,0,0,0|1,0,0]=3 345 B11R1.279 COC1=CN=C(CO)C=C1O O31707 [1,1,0,0,0,0|1,0,1]=4 346 B11R1.279 COC1=NC(N)=C(C=O)C=N1 Q52415 [1,1,0,0,0,0|2,0,0]=4 347 B11R1.279 COC1=NC=C(C=O)C(C)=C1 Q66658 [1,1,0,0,0,0|1,0,0]=3 348 B11R1.279 COC1=NC=C(C=O)C=C1Br Q67210 [1,1,0,0,0,0|1,0,0]=3 349 B11R1.279 COC1=NC=C(C=O)C=C1C N25919 [1,1,0,0,0,0|1,0,0]=3 350 B11R1.279 COC1=NC=C(C=O)C=C1Cl Q66656 [1,1,0,0,0,0|1,0,0]=3 351 B11R1.279 COC1=NC=C(CO)C=C1Br N25984 [1,1,0,0,0,0|1,0,1]=4 352 B11R1.279 COC1=NC=C(CO)C=C1C N26256 [1,1,0,0,0,0|1,0,1]=4 353 B11R1.279 CSC1=C(Cl)C=C(C=O)C=C1 N27211 [1,1,0,0,0,0|0,1,0]=3 354 B11R1.279 CSC1=C(F)C=C(C=O)C=C1 N25178 [1,1,0,0,0,0|0,1,0]=3 355 B11R1.279 CSC1=C(F)C=C(CO)C=C1 N25670 [1,1,0,0,0,0|0,1,1]=4 356 B11R1.279 CSC1=CC=C(C=O)C(C)=C1 S70485 [1,1,0,0,0,0|0,1,0]=3 357 B11R1.279 CSC1=CC=C(C=O)C(F)=C1 N25674 [1,1,0,0,0,0|0,1,0]=3 358 B11R1.279 CSC1=NC=C(C=O)C(C)=C1 N27759 [1,1,0,0,0,0|1,1,0]=4 359 B11R1.279 CSC1=NC=C(C=O)C=C1C N26891 [1,1,0,0,0,0|1,1,0]=4 360 B11R1.279 N#CC1=CC=C(C=O)C(Br)=C1 Q66601 [1,1,0,0,0,0|2,0,0]=4 361 B11R1.279 N#CC1=CC=C(C=O)C(F)=C1 O29238 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.279 N#CC1=CC=C(C=O)C=C1F Q67316 [1,1,0,0,0,0|2,0,0]=4 363 B11R1.279 O=CC1=CC=C(C=O)C(I)=C1 Q69776 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 B-1765 [1,1,0,0,0,0|1,0,0]=3 365 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 B-1766 [1,1,0,0,0,0|1,0,0]=3 366 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 G-6636-1 [1,1,0,0,0,0|1,0,0]=3 367 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 H-8848 [1,1,0,0,0,0|1,0,0]=3 368 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 L14045 [1,1,0,0,0,0|1,0,0]=3 369 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 O32785 [1,1,0,0,0,0|1,0,0]=3 370 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 P45972 [1,1,0,0,0,0|1,0,0]=3 371 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 P48341 [1,1,0,0,0,0|1,0,0]=3 372 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 P50560 [1,1,0,0,0,0|1,0,0]=3 373 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 Q54491 [1,1,0,0,0,0|1,0,0]=3 374 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 Q56087 [1,1,0,0,0,0|1,0,0]=3 375 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 Q56091 [1,1,0,0,0,0|1,0,0]=3 376 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 Q69557 [1,1,0,0,0,0|1,0,0]=3 377 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 G-7786 [1,1,0,0,0,0|1,0,1]=4 378 B11R1.19 O=S(=O)(O)C1=CC=C(S)C=C1 M15585 [1,1,0,0,0,0|1,1,0]=4 379 B11R1.21 CC(=O)C1=CC(Cl)=C(C)N=C1 O29923 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.21 CC(=O)C1=CC=C(Br)C(Cl)=C1 M15796 [1,1,0,0,0,0|2,0,0]=4 381 B11R1.21 CC(=O)C1=CC=C(Cl)C(Br)=C1 Q66292 [1,1,0,0,0,0|2,0,0]=4 382 B11R1.21 CC(=O)C1=CC=C(F)C(O)=C1 N25331 [1,1,0,0,0,0|2,0,0]=4 383 B11R1.21 CC1=C(Br)N=C(C(=O)O)C=C1 Q53116 [1,1,0,0,0,0|1,0,0]=3 384 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=N1 Q60858 [1,1,0,0,0,0|1,0,0]=3 385 B11R1.21 CC1=C(O)C=C(B(O)O)C=C1 N25142 [1,1,0,0,0,0|1,0,1]=4 386 B11R1.21 CC1=C(O)C=C(C(=O)O)C=N1 Q60795 [1,1,0,0,0,0|1,0,0]=3 387 B11R1.21 CC1=C(O)C=CC(B(O)O)=C1 N26054 [1,1,0,0,0,0|1,0,1]=4 388 B11R1.21 CC1=C(O)N=CC(C(=O)O)=C1 L19518 [1,1,0,0,0,0|1,0,0]=3 389 B11R1.21 CC1=CC(C(=O)O)=CN=C1Br Q66669 [1,1,0,0,0,0|2,0,0]=4 390 B11R1.21 CC1=CC(C(=O)O)=CN=C1C Q68802 [1,1,0,0,0,0|1,0,0]=3 391 B11R1.21 CC1=CC(C(=O)O)=CN=C1C Q69971 [1,1,0,0,0,0|1,0,0]=3 392 B11R1.21 CC1=CC(C(=O)O)=CN=C1Cl N25124 [1,1,0,0,0,0|2,0,0]=4 393 B11R1.21 CC1=CC(C(=O)O)=CN=C1F Q66670 [1,1,0,0,0,0|2,0,0]=4 394 B11R1.21 CC1=CC(C(=O)O)=NC=C1Br Q67785 [1,1,0,0,0,0|2,0,0]=4 395 B11R1.21 CC1=CC(C(N)=O)=CC=C1N M15755 [1,1,0,0,0,0|2,0,0]=4 396 B11R1.21 CC1=CC=C(B(O)O)C=C1Br Q67305 [1,1,0,0,0,0|1,0,1]=4 397 B11R1.21 CC1=CC=C(B(O)O)C=C1N Q66342 [1,1,0,0,0,0|1,0,1]=4 398 B11R1.21 CC1=CC=C(B(O)O)C=C1N Q66343 [1,1,0,0,0,0|1,0,1]=4 399 B11R1.21 CC1=CC=C(C(C)O)C=C1C M22902 [1,1,0,0,0,0|1,0,1]=4 400 B11R1.21 CC1=CN=C(C(=O)O)C=C1C Q60799 [1,1,0,0,0,0|1,0,0]=3 401 B11R1.21 CC1=CN=C(C(=O)O)C=C1Cl Q52680 [1,1,0,0,0,0|1,0,0]=3 402 B11R1.21 CC1=CN=C(C(=O)O)C=C1N Q53529 [1,1,0,0,0,0|1,0,0]=3 403 B11R1.21 CC1=NC(C(=O)O)=CC=C1Br Q67308 [1,1,0,0,0,0|2,0,0]=4 404 B11R1.21 CC1=NC=C(C(=O)O)C=C1Br P51094 [1,1,0,0,0,0|1,0,0]=3 405 B11R1.21 CC1=NC=C(C(=O)O)C=C1N G-6537 [1,1,0,0,0,0|1,0,0]=3 406 B11R1.21 CN1C=C(C(=O)O)C=CC1=O G-5206 [1,1,0,0,0,0|1,0,1]=4 407 B11R1.21 CN1C=CC(C(=O)O)=CC1=O C-2302 [1,1,0,0,0,0|1,0,0]=3 408 B11R1.21 CN1C=CC(C(N)=O)=CC1=O I-9710 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.21 NC1=C(O)C=C(C(=O)O)C=N1 L19943 [1,1,0,0,0,0|2,0,0]=4 410 B11R1.21 NC1=C(S)C=C(C(=O)O)C=C1 A-871 [1,1,0,0,0,0|1,0,0]=3 411 B11R1.21 NC1=C(S)C=CC(C(=O)O)=C1 H-8774 [1,1,0,0,0,0|0,1,0]=3 412 B11R1.21 NC1=CC(C(=O)O)=CC=C1S K16116 [1,1,0,0,0,0|0,1,0]=3 413 B11R1.21 NC1=CC(C(=O)O)=NC=C1Br L13873 [1,1,0,0,0,0|2,0,0]=4 414 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)N=C1 C-3764 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.21 O=C(O)C1=CC(F)=C(Cl)N=C1 O31712 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=C1 P37038 [1,1,0,0,0,0|1,0,0]=3 417 B11R1.21 O=C(O)C1=CC=C(Br)C(Cl)=C1 K13440 [1,1,0,0,0,0|1,0,0]=3 418 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 L13055 [1,1,0,0,0,0|2,0,0]=4 419 B11R1.21 O=C(O)C1=NC(Br)=C(Cl)C=C1 O31936 [1,1,0,0,0,0|2,0,0]=4 420 B11R1.21 O=C(O)C1=NC(Br)=C(F)C=C1 O33279 [1,1,0,0,0,0|2,0,0]=4 421 B11R1.21 O=C(O)C1=NC(Cl)=C(Br)C=C1 L18290 [1,1,0,0,0,0|2,0,0]=4 422 B11R1.21 O=C(O)C1=NC(F)=C(F)C=C1 F-4046 [1,1,0,0,0,0|2,0,0]=4 423 B11R1.21 O=C(O)C1=NC(O)=C(F)C=C1 Q60811 [1,1,0,0,0,0|2,0,0]=4 424 B11R1.21 O=C(O)C1=NC=C(Br)C(Cl)=C1 Q65591 [1,1,0,0,0,0|2,0,0]=4 425 B11R1.21 O=C(O)C1=NC=C(Cl)C(Cl)=C1 Q60752 [1,1,0,0,0,0|2,0,0]=4 426 B11R1.21 OB(O)C1=CC=C(O)C(Cl)=C1 Q66714 [1,1,0,0,0,0|1,0,1]=4 427 B11R1.21 OB(O)C1=CC=C(O)C(F)=C1 O31813 [1,1,0,0,0,0|1,0,1]=4 428 B11R1.22 C#CC(=O)C1=CC=C(Cl)C=C1 P39524 [1,1,0,0,0,0|2,0,0]=4 429 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 P40808 [1,1,0,0,0,0|0,0,1]=3 430 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 P37504 [1,1,0,0,0,0|1,0,0]=3 431 B11R1.22 CC1=CC=C(C(=O)NN)C=N1 P40085 [1,1,0,0,0,0|2,0,0]=4 432 B11R1.22 CC1=CC=C(C(N)CO)C=C1 P40922 [1,1,0,0,0,0|1,0,1]=4 433 B11R1.22 CC1=CC=C(C(O)CN)C=C1 P37591 [1,1,0,0,0,0|1,0,1]=4 434 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 P36899 [1,1,0,0,0,0|1,0,1]=4 435 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 P38803 [1,1,0,0,0,0|1,0,1]=4 436 B11R1.22 CC1=NC=C(C(=O)CBr)C=C1 Q52597 [1,1,0,0,0,0|2,0,0]=4 437 B11R1.22 CNC(=O)C1=NC=C(O)C=C1 O30530 [1,1,0,0,0,0|2,0,0]=4 438 B11R1.22 COC(=O)C1=CC=C(Br)N=C1 C-3212 [1,1,0,0,0,0|2,0,0]=4 439 B11R1.22 COC(=O)C1=CC=C(N)C=N1 C-2286 [1,1,0,0,0,0|2,0,0]=4 440 B11R1.22 COC(=O)C1=CC=C(O)N=N1 C-2379 [1,1,0,0,0,0|2,0,0]=4 441 B11R1.22 COC(=O)C1=CC=C(S)N=C1 H-8392 [1,1,0,0,0,0|1,1,0]=4 442 B11R1.22 COC(=O)C1=CN=C(C)N=C1 L13555 [1,1,0,0,0,0|2,0,0]=4 443 B11R1.22 COC(=O)C1=CN=C(F)C=C1 Q66489 [1,1,0,0,0,0|2,0,0]=4 444 B11R1.22 COC(=O)C1=CN=C(O)C=C1 G-5577 [1,1,0,0,0,0|1,0,0]=3 445 B11R1.22 COC(=O)C1=NC=C(C)C=N1 G-5731 [1,1,0,0,0,0|2,0,0]=4 446 B11R1.22 COC(=O)C1=NC=C(F)C=C1 Q54927 [1,1,0,0,0,0|2,0,0]=4 447 B11R1.22 COC(=O)C1=NC=C(O)C=C1 G-5601 [1,1,0,0,0,0|1,0,0]=3 448 B11R1.22 COC(=O)C1=NC=C(O)C=N1 Q55461 [1,1,0,0,0,0|2,0,0]=4 449 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 P40081 [1,1,0,0,0,0|1,0,0]=3 450 B11R1.22 O=C(CF)C1=CC=C(Cl)C=C1 O31201 [1,1,0,0,0,0|2,0,0]=4 451 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 P35986 [1,1,0,0,0,0|1,0,1]=4 452 B11R1.166 CC(=O)C1=C(C)C=C(C)N=C1 O31353 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.166 CC(=O)C1=CC=C(C)C=C1Br P42929 [1,1,0,0,0,0|1,0,0]=3 454 B11R1.166 CC(=O)C1=CC=C(N)C=C1Cl O32522 [1,1,0,0,0,0|2,0,0]=4 455 B11R1.166 CC1=CC(=O)NC=C1C(=O)O Q57090 [1,1,0,0,0,0|1,0,1]=4 456 B11R1.166 CC1=CC(Br)=NC=C1C(=O)O N26124 [1,1,0,0,0,0|2,0,0]=4 457 B11R1.166 CC1=CC(Cl)=NC=C1C(=O)O N25656 [1,1,0,0,0,0|2,0,0]=4 458 B11R1.166 CC1=CC(F)=C(B(O)O)C=C1 C-3216 [1,1,0,0,0,0|1,0,1]=4 459 B11R1.166 CC1=CC(F)=C(C(=O)O)C=N1 Q60789 [1,1,0,0,0,0|1,0,0]=3 460 B11R1.166 CC1=CC(F)=NC=C1C(=O)O Q67322 [1,1,0,0,0,0|2,0,0]=4 461 B11R1.166 CC1=CC(O)=CC=C1B(O)O Q66536 [1,1,0,0,0,0|1,0,1]=4 462 B11R1.166 CC1=CC(O)=CN=C1C(=O)O Q60879 [1,1,0,0,0,0|1,0,0]=3 463 B11R1.166 CC1=CC=C(B(O)O)C(Br)=C1 N26773 [1,1,0,0,0,0|1,0,1]=4 464 B11R1.166 CC1=CC=C(B(O)O)C(O)=C1 G-5911 [1,1,0,0,0,0|1,0,1]=4 465 B11R1.166 CC1=CC=C(C(=O)O)C(N)=N1 L13612 [1,1,0,0,0,0|1,0,0]=3 466 B11R1.166 CC1=CC=C([N+](=O)[O-])C(Br)=C1 Q67791 [1,1,0,0,0,0|1,0,1]=4 467 B11R1.166 CC1=CN=C(C(=O)O)C(Br)=C1 O31836 [1,1,0,0,0,0|1,0,0]=3 468 B11R1.166 CC1=CN=C(C(=O)O)C(C)=C1 O31096 [1,1,0,0,0,0|1,0,0]=3 469 B11R1.166 CC1=CN=C(C(=O)O)C(F)=C1 I-9719 [1,1,0,0,0,0|1,0,0]=3 470 B11R1.166 CC1=CN=C(C(=O)O)C(O)=N1 K12278 [1,1,0,0,0,0|2,0,0]=4 471 B11R1.166 CC1=CN=C(C(N)=O)C(N)=C1 O31639 [1,1,0,0,0,0|2,0,0]=4 472 B11R1.166 CC1=NC(Br)=C(C(=O)O)C=N1 H-8399 [1,1,0,0,0,0|2,0,0]=4 473 B11R1.166 CC1=NC(Br)=CC=C1C(=O)O N26103 [1,1,0,0,0,0|2,0,0]=4 474 B11R1.166 CC1=NC(C)=C(C(=O)O)C=C1 P51309 [1,1,0,0,0,0|1,0,0]=3 475 B11R1.166 CC1=NC(C)=C(C(=O)O)C=C1 Q60943 [1,1,0,0,0,0|1,0,0]=3 476 B11R1.166 CC1=NC(Cl)=CC=C1C(=O)O N25033 [1,1,0,0,0,0|2,0,0]=4 477 B11R1.166 CC1=NC(F)=C(C(=O)O)C=C1 N24616 [1,1,0,0,0,0|1,0,0]=3 478 B11R1.166 CC1=NC(F)=CC=C1C(=O)O Q67993 [1,1,0,0,0,0|2,0,0]=4 479 B11R1.166 CC1=NC(O)=CC=C1C(=O)O Q52564 [1,1,0,0,0,0|1,0,0]=3 480 B11R1.166 CC1=NC=C(C(=O)O)C(C)=N1 O34423 [1,1,0,0,0,0|2,0,0]=4 481 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=C1 M15159 [1,1,0,0,0,0|1,0,0]=3 482 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=N1 H-8401 [1,1,0,0,0,0|2,0,0]=4 483 B11R1.166 NC(=O)C1=C(F)C=C(Br)C=C1 N24181 [1,1,0,0,0,0|2,0,0]=4 484 B11R1.166 NC(=O)C1=C(N)C=C(Br)C=C1 F-4223 [1,1,0,0,0,0|2,0,0]=4 485 B11R1.166 NC(=O)C1=CC=C(Br)C=C1Cl Q68006 [1,1,0,0,0,0|2,0,0]=4 486 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1Br Q68008 [1,1,0,0,0,0|2,0,0]=4 487 B11R1.166 NC(=O)C1=CC=C(O)C=C1F O30471 [1,1,0,0,0,0|1,0,0]=3 488 B11R1.166 NC1=CC(Br)=CN=C1C(=O)O C-2276 [1,1,0,0,0,0|2,0,0]=4 489 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O G-6102 [1,1,0,0,0,0|2,0,0]=4 490 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O G-6103 [1,1,0,0,0,0|2,0,0]=4 491 B11R1.166 NC1=CC(Cl)=NC=C1C(=O)O I-9422 [1,1,0,0,0,0|2,0,0]=4 492 B11R1.166 NC1=CC(F)=C(C(=O)O)N=C1 Q55031 [1,1,0,0,0,0|2,0,0]=4 493 B11R1.166 NC1=CC(F)=CN=C1C(=O)O O33092 [1,1,0,0,0,0|2,0,0]=4 494 B11R1.166 NC1=CC(F)=NC=C1C(=O)O G-7587 [1,1,0,0,0,0|2,0,0]=4 495 B11R1.166 NC1=CC(I)=CC=C1C(=O)O O32287 [1,1,0,0,0,0|1,0,0]=3 496 B11R1.166 NC1=CC=C(C(=O)O)C(Br)=N1 Q64646 [1,1,0,0,0,0|2,0,0]=4 497 B11R1.166 NC1=NC(Cl)=CC=C1C(=O)O C-2357 [1,1,0,0,0,0|2,0,0]=4 498 B11R1.166 NC1=NC(O)=CC=C1C(=O)O L19692 [1,1,0,0,0,0|1,0,0]=3 499 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)N=C1 F-4417 [1,1,0,0,0,0|2,0,0]=4 500 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=N1 Q60904 [1,1,0,0,0,0|1,0,0]=3 501 B11R1.166 O=C(O)C1=C(Cl)N=C(Cl)C=C1 G-6764 [1,1,0,0,0,0|2,0,0]=4 502 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=N1 Q60786 [1,1,0,0,0,0|2,0,0]=4 503 B11R1.166 O=C(O)C1=CC=C(Br)C=C1Br P37092 [1,1,0,0,0,0|1,0,0]=3 504 B11R1.166 O=C(O)C1=CC=C(Br)N=C1Br Q51864 [1,1,0,0,0,0|2,0,0]=4 505 B11R1.166 O=C(O)C1=CC=C(Br)N=C1Cl N26004 [1,1,0,0,0,0|2,0,0]=4 506 B11R1.166 O=C(O)C1=CC=C(Cl)N=C1F O30248 [1,1,0,0,0,0|2,0,0]=4 507 B11R1.166 O=C(O)C1=CC=C(F)C=C1O M22934 [1,1,0,0,0,0|1,0,0]=3 508 B11R1.166 O=C(O)C1=CC=C(I)C=C1F P43484 [1,1,0,0,0,0|1,0,0]=3 509 B11R1.166 O=C(O)C1=CC=C(O)C=C1Cl Q66502 [1,1,0,0,0,0|0,0,0]=2 510 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Cl O32638 [1,1,0,0,0,0|2,0,0]=4 511 B11R1.166 O=C(O)C1=CN=C(Br)C=C1I Q52323 [1,1,0,0,0,0|2,0,0]=4 512 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1I N27822 [1,1,0,0,0,0|2,0,0]=4 513 B11R1.166 O=C(O)C1=CN=C(O)N=C1O G-7724 [1,1,0,0,0,0|2,0,0]=4 514 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Cl Q68112 [1,1,0,0,0,0|2,0,0]=4 515 B11R1.166 O=C(O)C1=NC=C(Br)C=C1F G-7561 [1,1,0,0,0,0|2,0,0]=4 516 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Br Q67790 [1,1,0,0,0,0|2,0,0]=4 517 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1F O30677 [1,1,0,0,0,0|2,0,0]=4 518 B11R1.166 O=C(O)C1=NC=C(F)C=C1Cl O31562 [1,1,0,0,0,0|2,0,0]=4 519 B11R1.166 O=C(O)C1=NC=C(O)C=C1F O29407 [1,1,0,0,0,0|1,0,0]=3 520 B11R1.166 O=[N+]([O-])C1=CC=C(O)C=C1Br P50972 [1,1,0,0,0,0|1,0,1]=4 521 B11R1.166 OB(O)C1=CC=C(O)C=C1Cl O30606 [1,1,0,0,0,0|1,0,1]=4 522 B11R1.166 OB(O)C1=CC=C(O)C=C1F N24632 [1,1,0,0,0,0|1,0,1]=4 523 B11R1.48 COC1=CC(C(=O)O)=NN1C A-685 [0,1,0,0,1,0|2,0,0]=4 524 B11R1.50 COC1=NN(C)C(C(=O)O)=C1 A-684 [0,1,0,0,1,0|2,0,0]=4 525 B11R1.124 CCCC1=CC=C(C(=O)O)S1 N25667 [0,1,0,0,1,0|2,0,0]=4 526 B11R1.124 CCOC1=CSC(C(=O)O)=C1 O29611 [0,1,0,0,1,0|1,0,0]=3 527 B11R1.124 COCC1=CC(C(=O)O)=NN1 Q60636 [0,1,0,0,1,0|2,0,0]=4 528 B11R1.124 COCC1=CC=C(C(=O)O)S1 N25374 [0,1,0,0,1,0|1,0,0]=3 529 B11R1.124 COCN1C=CC(C(=O)O)=N1 Q60547 [0,1,0,0,1,0|2,0,0]=4 530 B11R1.175 CC(C)C1=CC=C(C(=O)O)O1 M15467 [0,1,0,0,1,0|2,0,0]=4 531 B11R1.473 COC1=NNC(C(=O)O)=C1C Q60622 [0,1,0,0,1,0|2,0,0]=4 532 B11R1.473 COC1=NNC(C(=O)O)=C1Cl Q60642 [0,1,0,0,1,0|2,0,0]=4 533 B13R1.4 COC1=CC=C(CS(N)(=O)=O)C=C1 H-8154 [0,1,0,0,0,1|1,0,1]=4 534 B13R1.5 C#CC1=CC=C(CC(=O)OC)C=C1 M22867 [0,1,0,0,0,1|1,0,1]=4 535 B13R1.5 CCC(=O)CC1=CC=C(OC)C=C1 P37560 [0,1,0,0,0,1|1,0,0]=3 536 B13R1.5 COC(=O)CC1=CC=C(CCl)C=C1 O28002 [0,1,0,0,0,1|2,0,0]=4 537 B13R1.5 COC1=CC=C(CC(N)CO)C=C1 P40488 [0,1,0,0,0,1|1,0,1]=4 538 B13R1.5 COC1=CC=C(C[C@H](N)CO)C=C1 P39832 [0,1,0,0,0,1|1,0,1]=4 539 B13R1.35 COC1=CC=C(OC(C)=O)C=C1F N27075 [0,1,0,0,0,1|1,0,0]=3 540 B13R1.36 CCC1=CC=C(C(=O)C(=O)O)C=C1 P36489 [0,1,0,0,0,1|1,0,0]=3 541 B13R1.36 CCC1=CC=C(C(N)C(=O)O)C=C1 P38862 [0,1,0,0,0,1|1,0,0]=3 542 B13R1.36 COC1=CC=C(C(=O)C(=O)O)C=C1 P36487 [0,1,0,0,0,1|0,0,0]=2 543 B13R1.36 COC1=CC=C(C(N)C(=O)O)C=C1 G-5944 [0,1,0,0,0,1|0,0,0]=2 544 B13R1.36 COC1=CC=C(C(N)C(=O)O)C=C1 L13499 [0,1,0,0,0,1|0,0,0]=2 545 B13R1.36 COC1=CC=C([C@@H](N)C(=O)O)C=C1 P39404 [0,1,0,0,0,1|0,0,0]=2 546 B13R1.36 COC1=CC=C([C@@H](N)C(N)=O)C=C1 M22953 [0,1,0,0,0,1|1,0,0]=3 547 B13R1.36 COC1=CC=C([C@H](N)C(=O)O)C=C1 P39405 [0,1,0,0,0,1|0,0,0]=2 548 B13R1.142 CCOC1=CN=C(CC(=O)O)C=C1 Q60808 [0,1,0,0,0,1|1,0,0]=3 549 B13R1.142 CCOC1=NC=C(CC(=O)O)C=C1 Q60855 [0,1,0,0,0,1|1,0,0]=3 550 B13R1.142 NCCC1=CC=C(CC(=O)O)C=C1 P34751 [0,1,0,0,0,1|1,0,0]=3 551 B13R1.585 CC(=O)C1=CC=C(CC(=O)O)C=C1 O27998 [0,1,0,0,0,1|1,0,0]=3 552 B13R1.585 CC(=O)NC1=CC=C([C@@H](C)N)C=C1 P51603 [0,1,0,0,0,1|2,0,0]=4 553 B13R1.585 CN(C)C1=CC=C(CC(=O)O)C=C1 P40604 [0,1,0,0,0,1|1,0,0]=3 554 B13R1.653 COC1=CC(F)=C(CC(C)=O)C=C1 F-4362 [0,1,0,0,0,1|1,0,0]=3 555 B13R1.95 COC(=O)C1=C(Br)C=C(C#N)C=C1 P44694 [0,2,0,0,0,0|2,0,0]=4 556 B13R1.95 COC(=O)C1=C(N)N=C(OC)C=C1 Q70145 [0,2,0,0,0,0|1,0,0]=3 557 B13R1.95 COC(=O)C1=CC=C(C=O)C=C1Br P43181 [0,2,0,0,0,0|2,0,0]=4 558 B13R1.95 COC(=O)C1=CC=C(C=O)C=C1C O29364 [0,2,0,0,0,0|2,0,0]=4 559 B13R1.95 COC(=O)C1=CC=C(CBr)C=C1Cl M23013 [0,2,0,0,0,0|2,0,0]=4 560 B13R1.95 COC(=O)C1=CC=C(CBr)C=C1F M23030 [0,2,0,0,0,0|2,0,0]=4 561 B13R1.95 COC(=O)C1=CC=C(CO)C=C1C O29550 [0,2,0,0,0,0|2,0,0]=4 562 B13R1.95 COC(=O)C1=CC=C(OC)C=C1Br Q68105 [0,2,0,0,0,0|0,0,0]=2 563 B13R1.95 COC(=O)C1=CC=C(OC)C=C1N O32310 [0,2,0,0,0,0|0,0,0]=2 564 B13R1.95 COC(=O)C1=CC=C(OC)N=C1C N26175 [0,2,0,0,0,0|1,0,0]=3 565 B13R1.95 COC(=O)C1=CC=C(OC)N=C1Cl N24774 [0,2,0,0,0,0|1,0,0]=3 566 B13R1.95 COC(=O)C1=CC=C(SC)C=C1C Q68677 [0,2,0,0,0,0|0,1,0]=3 567 B13R1.139 CCOC1=CC=C(C(=O)CN)C=C1 P39440 [0,2,0,0,0,0|1,0,0]=3 568 B13R1.139 CCOC1=CC=C(C(N)CO)C=C1 P35199 [0,2,0,0,0,0|1,0,1]=4 569 B13R1.139 CNCC1=CC=C(C(=O)OC)C=C1 P40853 [0,2,0,0,0,0|1,0,0]=3 570 B13R1.139 COC(=O)C1=CC=C(CC#N)C=C1 P36190 [0,2,0,0,0,0|1,0,1]=4 571 B13R1.139 COC(=O)C1=CC=C(CCN)C=C1 P37407 [0,2,0,0,0,0|1,0,0]=3 572 B13R1.139 COC(=O)C1=CC=C(CCO)C=C1 O29781 [0,2,0,0,0,0|1,0,0]=3 573 B13R1.452 C#CC1=CC=C(C(=O)OCC)C=C1 O27990 [0,2,0,0,0,0|1,0,1]=4 574 B13R1.452 CCC1=CC=C(C(=O)CC#N)C=C1 P34797 [0,2,0,0,0,0|2,0,0]=4 575 B13R1.452 CCOC(=O)C1=CC=C(C=O)C=C1 P36963 [0,2,0,0,0,0|2,0,0]=4 576 B13R1.452 CCOC(=O)C1=CC=C(CC)C=C1 N24480 [0,2,0,0,0,0|1,0,0]=3 577 B13R1.452 CCOC(=O)C1=CC=C(SC)N=C1 O29113 [0,2,0,0,0,0|1,1,0]=4 578 B13R1.452 CCOC(=O)C1=CN=C(OC)N=C1 N27717 [0,2,0,0,0,0|2,0,0]=4 579 B13R1.452 CNCC(=O)C1=CC=C(OC)C=C1 O32427 [0,2,0,0,0,0|1,0,0]=3 580 B13R1.452 COC1=CC=C(C(N)CCO)C=C1 P36617 [0,2,0,0,0,0|1,0,1]=4 581 B13R1.452 COC1=CC=C([C@@H](N)CCO)C=C1 P35434 [0,2,0,0,0,0|1,0,1]=4 582 B13R1.452 COC1=CC=C([C@H](N)CCO)C=C1 P42756 [0,2,0,0,0,0|1,0,1]=4 583 B13R1.537 CN(C)C1=CC=C(C(=O)CN)C=C1 P38045 [0,2,0,0,0,0|2,0,0]=4 584 B13R1.537 COC(=O)C1=CC=C(C(=N)N)C=C1 O32544 [0,2,0,0,0,0|2,0,0]=4 585 B13R1.537 COC(=O)C1=CC=C(C(C)Br)C=C1 P51501 [0,2,0,0,0,0|1,0,0]=3 586 B13R1.537 COC(=O)C1=CC=C(C(C)C)C=N1 H-8736 [0,2,0,0,0,0|2,0,0]=4 587 B13R1.537 COC(=O)C1=CC=C(C(C)N)C=C1 M23192 [0,2,0,0,0,0|1,0,0]=3 588 B13R1.537 COC(=O)C1=CC=C(C(C)O)C=C1 P35826 [0,2,0,0,0,0|1,0,0]=3 589 B13R1.537 COC(=O)C1=CC=C(N(C)C)N=C1 Q67751 [0,2,0,0,0,0|2,0,0]=4 590 B13R1.537 NOC(=O)C1=CC=C([N+](=O)[O-])C=C1 H-8349 [0,2,0,0,0,0|2,0,0]=4 591 B13R1.3088 COC(=O)C1=CC(Cl)=C(SC)C=C1 N27614 [0,2,0,0,0,0|0,1,0]=3 592 B13R1.3088 COC(=O)C1=CC=C(C#N)C(O)=C1 O30946 [0,2,0,0,0,0|2,0,0]=4 593 B13R1.3088 COC(=O)C1=CC=C(C=O)C(Br)=C1 P43180 [0,2,0,0,0,0|2,0,0]=4 594 B13R1.3088 COC(=O)C1=CC=C(C=O)C(F)=C1 O30814 [0,2,0,0,0,0|2,0,0]=4 595 B13R1.3088 COC(=O)C1=CC=C(CBr)C(Br)=C1 M23029 [0,2,0,0,0,0|2,0,0]=4 596 B13R1.3088 COC(=O)C1=CC=C(CBr)C(Cl)=C1 P36300 [0,2,0,0,0,0|2,0,0]=4 597 B13R1.3088 COC(=O)C1=CC=C(CBr)C(F)=C1 O27993 [0,2,0,0,0,0|2,0,0]=4 598 B13R1.3088 COC(=O)C1=CC=C(CO)C(Br)=C1 F-4620 [0,2,0,0,0,0|2,0,0]=4 599 B13R1.3088 COC(=O)C1=CC=C(CO)C(Cl)=C1 K13431 [0,2,0,0,0,0|2,0,0]=4 600 B13R1.3088 COC(=O)C1=CC=C(OC)C(Br)=C1 O29244 [0,2,0,0,0,0|0,0,0]=2 601 B13R1.3088 COC(=O)C1=CC=C(OC)C(O)=C1 G-7853 [0,2,0,0,0,0|0,0,0]=2 602 B13R1.3088 COC(=O)C1=CN=C(OC)C(Cl)=C1 N24649 [0,2,0,0,0,0|1,0,0]=3 603 B13R1.3088 COC(=O)C1=CN=C(SC)C(C)=C1 O29044 [0,2,0,0,0,0|1,1,0]=4 604 B13R1.3088 COC(=O)C1=NC=C(OC)C(Cl)=C1 L14555 [0,2,0,0,0,0|1,0,0]=3 605 B13R1.338 CC(=O)C1=CC=C(C(C)(C)C)C=C1 S86224 [0,2,0,0,0,0|2,0,0]=4 606 B13R1.338 CC(C)(C)C1=CC=C(C(=O)O)C=N1 G-5878 [0,2,0,0,0,0|2,0,0]=4 607 B13R1.338 CC(C)(C)C1=CN=C(C(=O)O)C=C1 Q60794 [0,2,0,0,0,0|2,0,0]=4 608 B13R1.338 CC(C)(C)C1=NC=C(C(=O)O)C=C1 L20801 [0,2,0,0,0,0|2,0,0]=4 609 B13R1.338 CC(C)(O)C1=CN=C(C(=O)O)C=C1 K12256 [0,2,0,0,0,0|2,0,0]=4 610 B13R1.120 C=C(C)C1=CC=C(C(=O)O)C(F)=C1 K12236 [0,2,0,0,0,0|1,0,0]=3 611 B13R1.120 CC(=O)C1=CC=C(C(=O)O)C(Cl)=C1 P43519 [0,2,0,0,0,0|1,0,0]=3 612 B13R1.120 CC(=O)C1=CC=C(N(C)C)C(Br)=C1 O32482 [0,2,0,0,0,0|2,0,0]=4 613 B13R1.120 CC(C)C1=CC=C(C(=O)O)C(Br)=C1 N27306 [0,2,0,0,0,0|1,0,0]=3 614 B13R1.120 CC(C)C1=CC=C(C(=O)O)C(Cl)=N1 N26337 [0,2,0,0,0,0|2,0,0]=4 615 B13R1.120 CC(C)C1=CC=C(C(=O)O)C(F)=C1 K12232 [0,2,0,0,0,0|1,0,0]=3 616 B13R1.120 CC(C)C1=CC=C(C(=O)O)C(N)=C1 K12292 [0,2,0,0,0,0|1,0,0]=3 617 B13R1.120 CC(C)C1=CC=C(C(=O)O)C(O)=N1 S72500 [0,2,0,0,0,0|2,0,0]=4 618 B13R1.120 CC(C)N1C=CC(C(=O)O)=CC1=O O33446 [0,2,0,0,0,0|2,0,0]=4 619 B13R1.120 CC1=C(C(=O)O)C=CC(B(O)O)=C1 N25176 [0,2,0,0,0,0|2,0,0]=4 620 B13R1.120 CC1=CC(C(=O)O)=CC=C1B(O)O N25253 [0,2,0,0,0,0|2,0,0]=4 621 B13R1.120 CC1=CC(C(=O)O)=CN=C1N(C)C Q60559 [0,2,0,0,0,0|2,0,0]=4 622 B13R1.120 CC1=CC(N(C)C)=NC=C1C(=O)O Q60563 [0,2,0,0,0,0|2,0,0]=4 623 B13R1.120 CC1=NC(N(C)C)=CC=C1C(=O)O Q60632 [0,2,0,0,0,0|2,0,0]=4 624 B13R1.120 CN(C)C1=C(O)C=C(C(=O)O)C=N1 L19917 [0,2,0,0,0,0|2,0,0]=4 625 B13R1.120 CN(C)C1=CC=C(C(=O)O)C(Cl)=N1 O30067 [0,2,0,0,0,0|2,0,0]=4 626 B13R1.120 CN(C)C1=CC=C(C(=O)O)C=C1F Q66014 [0,2,0,0,0,0|1,0,0]=3 627 B13R1.120 O=C(O)C1=CC=C(B(O)O)C(F)=C1 N24147 [0,2,0,0,0,0|2,0,0]=4 628 B13R1.120 O=C(O)C1=CC=C(B(O)O)C=C1Br Q67440 [0,2,0,0,0,0|2,0,0]=4 629 B13R1.144 CCOC1=C(F)C=C(C(=O)O)C=C1 N25669 [0,2,0,0,0,0|0,0,0]=2 630 B13R1.144 CCOC1=CC=C(B(O)O)C=C1C Q66474 [0,2,0,0,0,0|1,0,1]=4 631 B13R1.144 COCC1=CC=C(B(O)O)C=C1F O34133 [0,2,0,0,0,0|1,0,1]=4 632 B13R1.652 COC1=C(Br)C=C(C(=O)O)C(N)=C1 O32286 [0,2,0,0,0,0|0,0,0]=2 633 B13R1.652 COC1=C(Br)C=C(C(C)=O)C(Br)=C1 N26659 [0,2,0,0,0,0|1,0,0]=3 634 B13R1.652 COC1=C(Cl)C=C(B(O)O)C(F)=C1 N25592 [0,2,0,0,0,0|1,0,1]=4 635 B13R1.652 COC1=C(Cl)C=C(C(=O)O)C(F)=C1 N25045 [0,2,0,0,0,0|0,0,0]=2 636 B13R1.652 COC1=C(F)C=C(B(O)O)C(F)=C1 N24659 [0,2,0,0,0,0|1,0,1]=4 637 B13R1.652 COC1=C(F)C=C(C(=O)O)C(F)=C1 N25013 [0,2,0,0,0,0|0,0,0]=2 638 B13R1.652 COC1=C(N)C=C(C(=O)O)C(Br)=C1 O30094 [0,2,0,0,0,0|0,0,0]=2 639 B13R1.652 COC1=CC(Br)=C(C(C)=O)C=C1Cl N26636 [0,2,0,0,0,0|1,0,0]=3 640 B13R1.652 COC1=CC(C)=C([N+](=O)[O-])C=C1Br G-5614 [0,2,0,0,0,0|1,0,1]=4 641 B13R1.652 COC1=CC(Cl)=C([N+](=O)[O-])C=C1Cl Q69635 [0,2,0,0,0,0|1,0,1]=4 642 B13R1.652 COC1=CC(F)=C([N+](=O)[O-])C=C1Br O32776 [0,2,0,0,0,0|1,0,1]=4 643 B13R1.652 COC1=CC(F)=C([N+](=O)[O-])C=C1Cl Q69634 [0,2,0,0,0,0|1,0,1]=4 644 B13R1.652 COC1=CC(F)=C([N+](=O)[O-])C=C1N Q65476 [0,2,0,0,0,0|1,0,1]=4 645 B13R1.652 CSC1=C(F)C=C(C(=O)O)C(F)=C1 N26743 [0,2,0,0,0,0|0,1,0]=3 646 B13R1.652 O=CC1=C(F)C=C(C(=O)O)C(F)=C1 O29022 [0,2,0,0,0,0|2,0,0]=4 647 B13R1.3091 CCC1=C(C#N)C=CC(C(=O)O)=C1 N27749 [0,2,0,0,0,0|2,0,0]=4 648 B13R1.3091 CCC1=C(OC)C=CC(B(O)O)=C1 N26270 [0,2,0,0,0,0|1,0,1]=4 649 B13R1.3091 COC1=C(C#N)C=C(B(O)O)C=C1 N24702 [0,2,0,0,0,0|1,0,1]=4 650 B13R1.3091 COC1=C(C=O)C=C(C(=O)O)C=C1 N26082 [0,2,0,0,0,0|0,0,0]=2 651 B13R1.3091 COC1=C(OC)N=C(C(=O)O)C=C1 Q60493 [0,2,0,0,0,0|1,0,0]=3 652 B13R1.3091 COC1=C(SC)C=C(B(O)O)C=C1 N25793 [0,2,0,0,0,0|1,0,1]=4 653 B13R1.3091 COC1=CC(C(=O)O)=CC=C1C#N O29918 [0,2,0,0,0,0|2,0,0]=4 654 B13R1.3091 COC1=CC(C(=O)O)=CC=C1CO H-8084 [0,2,0,0,0,0|2,0,0]=4 655 B13R1.3091 COC1=CC=C(B(O)O)C=C1CO Q67111 [0,2,0,0,0,0|1,0,1]=4 656 B13R1.3091 COC1=CC=C(C(=O)O)C=C1SC O29289 [0,2,0,0,0,0|0,0,0]=2 657 B13R1.3096 COC1=C(C)C(C)=C(B(O)O)C=C1 N25039 [0,2,0,0,0,0|1,0,1]=4 658 B13R1.3096 COC1=C(Cl)C(F)=C(B(O)O)C=C1 N27513 [0,2,0,0,0,0|1,0,1]=4 659 B13R1.3096 COC1=C(Cl)C(F)=C(C(=O)O)C=C1 N26593 [0,2,0,0,0,0|0,0,0]=2 660 B13R1.3096 COC1=CC=C(C(=O)O)C(F)=C1F Q66767 [0,2,0,0,0,0|0,0,0]=2 661 B13R1.3096 COC1=CC=C(C(C)=O)C(Br)=C1F Q68099 [0,2,0,0,0,0|1,0,0]=3 662 B13R1.3096 COC1=NC=C(C(=O)O)C(C)=C1Br L19932 [0,2,0,0,0,0|1,0,0]=3 663 B13R1.3380 CC1=CC(C(=O)O)=CC(C)=C1C=O N26999 [0,2,0,0,0,0|2,0,0]=4 664 B13R1.3380 COC1=C(Cl)C=C(B(O)O)C=C1Cl N24332 [0,2,0,0,0,0|1,0,1]=4 665 B13R1.3380 COC1=C(Cl)C=C(C(=O)O)C=C1Cl Q66462 [0,2,0,0,0,0|0,0,0]=2 666 B13R1.3380 COC1=C(F)C=C(B(O)O)C=C1Cl Q67246 [0,2,0,0,0,0|1,0,1]=4 667 B13R1.3380 COC1=C(F)C=C(B(O)O)C=C1F N24920 [0,2,0,0,0,0|1,0,1]=4 668 B13R1.3380 COC1=C(F)C=C(C(=O)O)C=C1Cl Q67283 [0,2,0,0,0,0|0,0,0]=2 669 B13R1.3380 COC1=C(F)C=C(C(=O)O)C=C1F Q66461 [0,2,0,0,0,0|0,0,0]=2 670 B13R1.3380 CSC1=C(F)C=C(C(=O)O)C=C1F N27103 [0,2,0,0,0,0|0,1,0]=3 671 B13R1.74 C#CCOC1=CC=C([N+](=O)[O-])C=C1 P40612 [0,2,0,0,0,0|1,0,1]=4 672 B13R1.74 CCCOC1=CC=C(C(C)=O)C=C1 P37324 [0,2,0,0,0,0|1,0,0]=3 673 B13R1.74 CCOCC1=CC=C(B(O)O)C=C1 Q67463 [0,2,0,0,0,0|1,0,1]=4 674 B13R1.74 CCOCC1=CC=C(C(=O)O)C=C1 N24652 [0,2,0,0,0,0|0,0,0]=2 675 B13R1.74 COCOC1=CC=C(B(O)O)C=C1 Q66556 [0,2,0,0,0,0|1,0,1]=4 676 B13R1.74 NCCOC1=CC=C(C(=O)O)C=C1 P42830 [0,2,0,0,0,0|0,0,0]=2 677 B13R1.74 NCCOC1=CC=C([N+](=O)[O-])C=C1 P37111 [0,2,0,0,0,0|1,0,1]=4 678 B13R1.74 O=C(O)C1=CN=C(OCCF)C=C1 Q60574 [0,2,0,0,0,0|1,0,0]=3 679 B13R1.74 O=C(O)C1=CN=C(OCCF)N=C1 Q60867 [0,2,0,0,0,0|2,0,0]=4 680 B13R1.74 [N-]=[N+]=NCC1=CC=C(C(=O)O)C=C1 P36011 [0,2,0,0,0,0|2,0,0]=4 681 B13R1.385 CCOC1=CC=C(B(O)O)C(C)=C1 Q66480 [0,2,0,0,0,0|1,0,1]=4 682 B13R1.385 CCOC1=CC=C(B(O)O)C(Cl)=C1 Q66431 [0,2,0,0,0,0|1,0,1]=4 683 B13R1.385 CCOC1=CC=C(B(O)O)C(F)=C1 N24362 [0,2,0,0,0,0|1,0,1]=4 684 B13R1.385 CCOC1=CC=C(C(=O)O)C(Cl)=C1 Q68259 [0,2,0,0,0,0|0,0,0]=2 685 B13R1.385 CCOC1=CC=C(C(=O)O)C(Cl)=N1 N27022 [0,2,0,0,0,0|1,0,0]=3 686 B13R1.99 CNC1=CC(OC)=CC=C1[N+](=O)[O-] O27926 [0,2,0,0,0,0|1,0,1]=4 687 B13R1.99 COC1=CC=C(B(O)O)C(C=O)=C1 Q66337 [0,2,0,0,0,0|1,0,1]=4 688 B13R1.99 COC1=CC=C(B(O)O)C(CO)=C1 Q66573 [0,2,0,0,0,0|1,0,1]=4 689 B13R1.99 COC1=CC=C(C(=O)O)C(C=O)=C1 N25966 [0,2,0,0,0,0|0,0,0]=2 690 B13R1.99 COC1=CC=C(C(=O)O)C(OC)=N1 Q68238 [0,2,0,0,0,0|1,0,0]=3 691 B13R1.99 COC1=CC=C(C(C)=O)C(OC)=N1 N24213 [0,2,0,0,0,0|2,0,0]=4 692 B13R1.428 CC1=CC(C=O)=CC(C)=C1C(=O)O N26774 [0,2,0,0,0,0|2,0,0]=4 693 B13R1.428 COC1=CC(C)=C(B(O)O)C(C)=C1 N24229 [0,2,0,0,0,0|1,0,1]=4 694 B13R1.428 COC1=CC(C)=C(C(=O)O)C(C)=C1 Q67690 [0,2,0,0,0,0|0,0,0]=2 695 B13R1.428 COC1=CC(Cl)=C(B(O)O)C(Cl)=C1 Q65644 [0,2,0,0,0,0|1,0,1]=4 696 B13R1.428 COC1=CC(F)=C(B(O)O)C(F)=C1 Q66485 [0,2,0,0,0,0|1,0,1]=4 697 B13R1.428 COC1=CC(F)=C(C(=O)O)C(F)=C1 Q66460 [0,2,0,0,0,0|0,0,0]=2 698 B13R1.428 COC1=CC(F)=C(C(N)=O)C(F)=C1 N24392 [0,2,0,0,0,0|1,0,0]=3 699 B13R1.428 COC1=CC(F)=C([N+](=O)[O-])C(F)=C1 O30041 [0,2,0,0,0,0|1,0,1]=4 700 B13R1.428 CSC1=CC(Cl)=C(C(=O)O)C(Cl)=C1 Q68509 [0,2,0,0,0,0|0,1,0]=3 701 B13R1.428 CSC1=CC(F)=C(C(=O)O)C(F)=C1 N25368 [0,2,0,0,0,0|0,1,0]=3 702 B13R1.428 N#CC1=CC(Cl)=C(C(=O)O)C(Cl)=C1 I-9750 [0,2,0,0,0,0|2,0,0]=4 703 B13R1.428 O=CC1=CC(F)=C(C(=O)O)C(F)=C1 Q67448 [0,2,0,0,0,0|2,0,0]=4 704 B11R1.159 CC1=C(F)C(C(=O)O)=CC=C1 Q67898 [0,0,1,1,0,0|2,0,0]=4 705 B11R1.159 CN1C=CC=C(C(=O)O)C1=O G-7544 [0,0,1,1,0,0|2,0,0]=4 706 B13R2.2121 COC1=CC=C2CC(=O)NC2=N1 Q55139 [0,0,0,1,0,1|2,0,0]=4 707 B13R2.2121 COC1=CC=C2NC(=O)CC2=N1 Q64310 [0,0,0,1,0,1|2,0,0]=4 708 B13R2.2121 COC1=CC=C2NC(=O)NC2=C1 P39867 [0,0,0,1,0,1|1,0,0]=3 709 B13R2.2121 COC1=CC=C2SC(N)=NC2=C1 Q55821 [0,0,0,1,0,1|2,0,0]=4 710 B13R2.2121 COC1=CN=C2NC(=O)CC2=C1 Q55141 [0,0,0,1,0,1|2,0,0]=4 711 B13R2.2121 COC1=NC=C2NC(=O)CC2=C1 Q64412 [0,0,0,1,0,1|2,0,0]=4 712 B13R2.2130 COC1=CC2=C(C=C1)C(=O)NC2 P51419 [0,1,0,1,0,0|1,0,0]=3 713 B13R2.2130 COC1=CC2=C(C=C1)C(C)=NN2 O30443 [0,1,0,1,0,0|2,0,0]=4 714 B13R2.2130 COC1=CC2=C(C=C1)C(N)=NN2 M15110 [0,1,0,1,0,0|2,0,0]=4 715 B13R2.2130 COC1=CC2=C(C=C1)C(O)=NN2 10539 [0,1,0,1,0,0|1,0,0]=3 716 B13R2.2130 COC1=CC=C2C(=C1)NN=C2I M15030 [0,1,0,1,0,0|2,0,0]=4 717 B13R2.430 CC(=O)C1=CC2=C(C=C1)NCC2 O32265 [0,1,0,1,0,0|2,0,0]=4 718 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CS2 A-867 [0,1,0,1,0,0|1,0,1]=4 719 B13R2.430 O=C(O)C1=CC2=C(C=N1)OC=C2 A-644 [0,1,0,1,0,0|1,0,1]=4 720 B13R2.430 O=C(O)C1=CC=C2C=COC2=C1 O30618 [0,1,0,1,0,0|1,0,1]=4 721 B13R2.430 O=C(O)C1=CC=C2C=NNC2=C1 C-2016 [0,1,0,1,0,0|2,0,0]=4 722 B13R2.430 O=C(O)C1=CC=C2N=COC2=C1 M15519 [0,1,0,1,0,0|1,0,1]=4 723 B13R2.430 O=C(O)C1=CC=C2NN=CC2=C1 C-2008 [0,1,0,1,0,0|1,0,1]=4 724 B13R2.430 O=C(O)C1=CC=C2OC=CC2=N1 Q64340 [0,1,0,1,0,0|1,0,1]=4 725 B13R2.430 O=C(O)C1=CC=C2OC=NC2=C1 O30694 [0,1,0,1,0,0|0,0,1]=3 726 B13R2.430 OB(O)C1=CC=C2OCCC2=C1 Q66465 [0,1,0,1,0,0|1,0,1]=4 727 B13R2.428 O=C(O)C1=CC=C(C2CC2)C=C1 O28338 [0,1,0,1,0,0|1,0,0]=3 728 B13R2.428 O=C(O)C1=CC=C(C2CC2)N=C1 P36221 [0,1,0,1,0,0|2,0,0]=4 729 B9R1.21 CCC1=CC=C(C=O)S1 Q68134 [1,0,0,0,1,0|2,0,0]=4 730 B9R1.21 CSC1=CC(C=O)=CS1 N25995 [1,0,0,0,1,0|1,1,0]=4 731 B9R1.35 CC1=CC(C(=O)O)=CN1 M15493 [1,0,0,0,1,0|1,0,0]=3 732 B9R1.35 CC1=CC(C(=O)O)=CS1 I-9860 [1,0,0,0,1,0|1,0,0]=3 733 B9R1.35 CC1=CC(C(=O)O)=NN1 G-6037 [1,0,0,0,1,0|2,0,0]=4 734 B9R1.35 CC1=COC(C(=O)O)=C1 O29596 [1,0,0,0,1,0|1,0,0]=3 735 B9R1.35 CC1=CSC(C(=O)O)=C1 G-7586 [1,0,0,0,1,0|1,0,0]=3 736 B9R1.35 CC1=NOC(C(=O)O)=C1 O30705 [1,0,0,0,1,0|2,0,0]=4 737 B9R1.35 CN1C=C(C(=O)O)C=N1 G-5543 [1,0,0,0,1,0|2,0,0]=4 738 B9R1.35 CN1C=CC(C(=O)O)=N1 K12250 [1,0,0,0,1,0|2,0,0]=4 739 B9R1.35 CN1C=NC(C(=O)O)=C1 G-5691 [1,0,0,0,1,0|2,0,0]=4 740 B9R1.35 O=C(O)C1=CC(Cl)=CS1 O30065 [1,0,0,0,1,0|2,0,0]=4 741 B9R1.35 O=C(O)C1=CC=C(Cl)S1 G-6814 [1,0,0,0,1,0|2,0,0]=4 742 B9R1.35 O=C(O)C1=CC=C(F)S1 G-5621 [1,0,0,0,1,0|2,0,0]=4 743 B9R1.35 O=C(O)C1=CSC(Cl)=C1 G-5624 [1,0,0,0,1,0|2,0,0]=4 744 B11R1.20 CC(=O)NC1=NC=C(O)C=C1 M15214 [1,0,0,0,0,1|2,0,0]=4 745 B11R1.20 CC(=O)OC1=CC=C(Br)C=C1 P40160 [1,0,0,0,0,1|2,0,0]=4 746 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 P41430 [1,0,0,0,0,1|2,0,0]=4 747 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 P43234 [1,0,0,0,0,1|1,1,0]=4 748 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 O31092 [1,0,0,0,0,1|2,0,0]=4 749 B11R1.20 NC1=NC=C(CC(=O)O)C=C1 Q62419 [1,0,0,0,0,1|2,0,0]=4 750 B11R1.20 O=C(O)CC1=CC=C(Br)N=C1 P38230 [1,0,0,0,0,1|2,0,0]=4 751 B11R1.20 O=C(O)CC1=CC=C(F)C=N1 I-9943 [1,0,0,0,0,1|2,0,0]=4 752 B11R1.20 O=C(O)CC1=CC=C(I)C=N1 P49243 [1,0,0,0,0,1|2,0,0]=4 753 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 L13539 [1,0,0,0,0,1|2,0,0]=4 754 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 Q52525 [1,0,0,0,0,1|2,0,0]=4 755 B11R1.266 C#CC1=CC(C(=O)O)=CC=C1 O28043 [0,0,0,0,1,1|1,0,1]=4 756 B11R1.266 C=CC1=CC(C(=O)O)=CC=C1 P39070 [0,0,0,0,1,1|1,0,1]=4 757 B11R1.266 CCC1=CC(C(=O)O)=CC=C1 P37036 [0,0,0,0,1,1|1,0,0]=3 758 B11R1.266 CCC1=CC(C(=O)O)=NC=C1 Q60534 [0,0,0,0,1,1|1,0,0]=3 759 B11R1.266 CCC1=NC(C(=O)O)=CC=C1 Q60685 [0,0,0,0,1,1|2,0,0]=4 760 B11R1.266 CNC1=CC(C(=O)O)=CC=C1 P37710 [0,0,0,0,1,1|1,0,0]=3 761 B11R1.266 COC1=CC(C(=O)O)=CN=C1 Q67568 [0,0,0,0,1,1|0,0,0]=2 762 B11R1.266 COC1=CC(C(C)=O)=NC=C1 O30173 [0,0,0,0,1,1|1,0,0]=3 763 B11R1.266 COC1=CC=CC(C(=O)O)=N1 P39197 [0,0,0,0,1,1|1,0,0]=3 764 B11R1.266 COC1=CN=CC(B(O)O)=C1 N24201 [0,0,0,0,1,1|1,0,1]=4 765 B11R1.266 COC1=NC(C(=O)O)=CC=N1 Q62605 [0,0,0,0,1,1|1,0,0]=3 766 B11R1.266 COC1=NC(C(=O)O)=NC=C1 Q60646 [0,0,0,0,1,1|1,0,0]=3 767 B11R1.266 COC1=NC=CC(B(O)O)=C1 P36205 [0,0,0,0,1,1|1,0,1]=4 768 B11R1.266 COC1=NC=CC(C(C)=O)=C1 O30294 [0,0,0,0,1,1|1,0,0]=3 769 B11R1.266 COC1=NN=CC(C(=O)O)=C1 L14279 [0,0,0,0,1,1|1,0,0]=3 770 B11R1.266 CSC1=CN=CC(C(=O)O)=C1 N26072 [0,0,0,0,1,1|0,1,0]=3 771 B11R1.266 N#CC1=CC(C(=O)O)=NC=C1 O31274 [0,0,0,0,1,1|2,0,0]=4 772 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 10633 [0,0,0,0,1,1|2,0,0]=4 773 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 O28911 [0,0,0,0,1,1|2,0,0]=4 774 B11R1.266 NNC1=CC(C(=O)O)=NC=C1 Q62382 [0,0,0,0,1,1|2,0,0]=4 775 B11R1.266 O=C(O)C1=CC(CO)=NC=C1 Q60757 [0,0,0,0,1,1|2,0,0]=4 776 B11R1.266 O=C(O)C1=CC=CC(CS)=C1 P39077 [0,0,0,0,1,1|2,0,0]=4 777 B13R1.3 COC1=NC=C(CCC(=O)O)C=C1 Q60513 [0,0,0,0,0,2|1,0,0]=3 778 B13R1.3 COC1=NC=C(\C=C\C(=O)O)C=C1 Q60792 [0,0,0,0,0,2|1,0,0]=3 779 B13R1.3 N#CC1=CC=C(OCC(=O)O)C=C1 O28052 [0,0,0,0,0,2|2,0,0]=4 780 B13R1.3 NCC1=CC=C(CCC(=O)O)C=C1 P37476 [0,0,0,0,0,2|2,0,0]=4