0 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 E16325 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 E62179 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.3 C#CC1=CC=C(C(C)C)C=C1 E54481 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.3 C#CC1=CC=C(N(C)C)C=C1 D38058 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.3 C#CC1=CC=C([N+](=O)[O-])C=C1 E38621 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.3 C#CC1=CN=C(C(=O)O)C=C1 E47712 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.3 C#CC1=NC=C(C(=O)O)C=C1 E60471 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 V67904 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.3 C=CC1=CC=C([N+](=O)[O-])C=C1 N37028 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.3 C=CC1=CC=C([SiH](C)C)C=C1 D53107 [0,0,0,0,0,0|2,1,1]=4 10 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 A51160 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.3 CC(=O)C1=CC=C(C=O)C=C1 A51552 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 B36669 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 A52108 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 H49897 [0,0,0,0,0,0|2,0,0]=2 15 B11R1.3 CC(=O)C1=NC=C(C#N)N=C1 A44868 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.3 CC(C)C1=CC=C(CN)C=C1 P53115 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.3 CCC1=CC=C(B(O)O)C=C1 E3140 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 E61033 [0,0,0,0,0,0|2,0,0]=2 19 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 E49271 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.3 CCC1=NC=C([N+](=O)[O-])C=C1 E15600 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 D69320 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.3 CN(C)C1=CC=C(CO)C=C1 D61045 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.3 CN(C)C1=CC=C(NN)C=C1 H49675 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 M60981 [0,0,0,0,0,0|2,0,0]=2 25 B11R1.3 CNC1=CC=C(C(C)=O)C=C1 M50024 [0,0,0,0,0,0|1,0,0]=1 26 B11R1.3 CNC1=CC=C([N+](=O)[O-])C=C1 M60707 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.3 CNC1=NC=C(C(=O)O)C=N1 M43111 [0,0,0,0,0,0|4,0,0]=4 28 B11R1.3 CNC1=NC=C([N+](=O)[O-])C=C1 M43105 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.3 COC1=CC=C(C(=N)N)C=C1 M49492 [0,0,0,0,0,0|2,0,0]=2 30 B11R1.3 COC1=CC=C(C(=O)O)C=C1 M64803 [0,0,0,0,0,0|1,0,0]=1 31 B11R1.3 COC1=CC=C(C(N)=O)C=C1 M49268 [0,0,0,0,0,0|1,0,0]=1 32 B11R1.3 COC1=CC=C([C@@H](C)O)C=C1 M50287 [0,0,0,0,0,0|0,0,2]=2 33 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 M50345 [0,0,0,0,0,0|1,0,1]=2 34 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 M63049 [0,0,0,0,0,0|1,0,1]=2 35 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 M68132 [0,0,0,0,0,0|1,0,1]=2 36 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 M38013 [0,0,0,0,0,0|0,0,2]=2 37 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 M50288 [0,0,0,0,0,0|0,0,2]=2 38 B11R1.3 COC1=CN=C(C(=N)N)C=C1 M32423 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.3 COC1=CN=C(C(=O)O)C=C1 M14344 [0,0,0,0,0,0|2,0,0]=2 40 B11R1.3 COC1=CN=C(C(=O)O)C=N1 M23515 [0,0,0,0,0,0|3,0,0]=3 41 B11R1.3 COC1=CN=C(C(C)=O)C=C1 A15229 [0,0,0,0,0,0|1,0,0]=1 42 B11R1.3 COC1=NC=C(B(O)O)C=C1 M4320 [0,0,0,0,0,0|3,0,1]=4 43 B11R1.3 COC1=NC=C(C(=N)N)C=C1 M46573 [0,0,0,0,0,0|3,0,0]=3 44 B11R1.3 COC1=NC=C(C(=O)O)C=C1 M12739 [0,0,0,0,0,0|2,0,0]=2 45 B11R1.3 COC1=NC=C(C(C)=O)C=C1 A49280 [0,0,0,0,0,0|1,0,0]=1 46 B11R1.3 COC1=NC=C(C(C)=O)C=N1 M46010 [0,0,0,0,0,0|2,0,0]=2 47 B11R1.3 COC1=NC=C([N+](=O)[O-])C=C1 M42783 [0,0,0,0,0,0|3,0,0]=3 48 B11R1.3 COC1=NC=C([N+](=O)[O-])C=N1 M40973 [0,0,0,0,0,0|4,0,0]=4 49 B11R1.3 COC1=NN=C(C(=O)O)C=C1 M24293 [0,0,0,0,0,0|3,0,0]=3 50 B11R1.3 CSC1=CC=C(B(O)O)C=C1 M4660 [0,0,0,0,0,0|2,1,1]=4 51 B11R1.3 CSC1=CC=C(C(=O)O)C=C1 M62193 [0,0,0,0,0,0|1,1,0]=2 52 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 M49959 [0,0,0,0,0,0|0,1,0]=1 53 B11R1.3 CSC1=NC=C(C(=O)O)C=N1 M12383 [0,0,0,0,0,0|3,1,0]=4 54 B11R1.3 C[C@@H](N)C1=CC=C(C#N)C=C1 A52058 [0,0,0,0,0,0|3,0,1]=4 55 B11R1.3 C[C@@H](N)C1=CC=C(C#N)C=C1 A64157 [0,0,0,0,0,0|3,0,1]=4 56 B11R1.3 C[C@@H](N)C1=CC=C(CO)C=C1 A64851 [0,0,0,0,0,0|3,0,1]=4 57 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 A52059 [0,0,0,0,0,0|3,0,1]=4 58 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 A64156 [0,0,0,0,0,0|3,0,1]=4 59 B11R1.3 N#CC1=CC=C(C(=N)N)C=C1 C49602 [0,0,0,0,0,0|4,0,0]=4 60 B11R1.3 N#CC1=CC=C(C(=O)Cl)C=C1 C47438 [0,0,0,0,0,0|3,0,0]=3 61 B11R1.3 N#CC1=CC=C([N+](=O)[O-])C=C1 N69095 [0,0,0,0,0,0|4,0,0]=4 62 B11R1.3 N#CC1=CN=C(C(=O)O)C=C1 C44349 [0,0,0,0,0,0|4,0,0]=4 63 B11R1.3 N#CC1=NC=C(C(=O)O)C=C1 C24975 [0,0,0,0,0,0|4,0,0]=4 64 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 A37814 [0,0,0,0,0,0|3,0,0]=3 65 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 A49493 [0,0,0,0,0,0|3,0,0]=3 66 B11R1.3 NCC1=CC=C([N+](=O)[O-])C=C1 N46556 [0,0,0,0,0,0|4,0,0]=4 67 B11R1.3 NNC1=CC=C([N+](=O)[O-])C=C1 N68829 [0,0,0,0,0,0|4,0,0]=4 68 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 H7591 [0,0,0,0,0,0|4,0,0]=4 69 B11R1.3 NOC1=CC=C([N+](=O)[O-])C=C1 N69631 [0,0,0,0,0,0|3,0,0]=3 70 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 H49094 [0,0,0,0,0,0|3,0,0]=3 71 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 H32219 [0,0,0,0,0,0|4,0,0]=4 72 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 F69091 [0,0,0,0,0,0|3,0,0]=3 73 B11R1.3 O=CC1=CC=C([N+](=O)[O-])C=C1 N67887 [0,0,0,0,0,0|4,0,0]=4 74 B11R1.3 O=[N+]([O-])C1=CC=C(CO)C=C1 N68869 [0,0,0,0,0,0|4,0,0]=4 75 B10R1.3 C#CC1=CC=C(C=O)C=C1 E38050 [1,0,0,0,0,0|1,0,1]=3 76 B10R1.3 C#CC1=CC=C(CC)C=C1 E52271 [1,0,0,0,0,0|1,0,2]=4 77 B10R1.3 C#CC1=CC=C(OC)C=C1 E51542 [1,0,0,0,0,0|0,0,2]=3 78 B10R1.3 C#CC1=CN=C(OC)C=C1 E0638 [1,0,0,0,0,0|1,0,2]=4 79 B10R1.3 C=CC1=CC=C(CO)C=C1 V32337 [1,0,0,0,0,0|2,0,1]=4 80 B10R1.3 C=CC1=CC=C(OC)C=C1 M68575 [1,0,0,0,0,0|0,0,1]=2 81 B10R1.3 CCC1=CC=C(NN)C=C1 E49533 [1,0,0,0,0,0|2,0,1]=4 82 B10R1.3 CCC1=CC=C(OC)C=C1 E50270 [1,0,0,0,0,0|0,0,1]=2 83 B10R1.3 CCC1=CN=C(C=O)C=C1 E49257 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.3 CNC1=CC=C(C#N)C=C1 M67463 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.3 COC1=CC=C(C#N)C=C1 M68579 [1,0,0,0,0,0|1,0,1]=3 86 B10R1.3 COC1=CC=C(CN)C=C1 M4627 [1,0,0,0,0,0|1,0,1]=3 87 B10R1.3 COC1=CC=C(CO)C=C1 M68895 [1,0,0,0,0,0|0,0,2]=3 88 B10R1.3 COC1=CC=C(NN)C=C1 M46462 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.3 COC1=CC=C(OC)C=C1 D68896 [1,0,0,0,0,0|1,0,0]=2 90 B10R1.3 COC1=CN=C(C#N)C=C1 M5547 [1,0,0,0,0,0|2,0,1]=4 91 B10R1.3 COC1=CN=C(C=O)C=C1 M15225 [1,0,0,0,0,0|1,0,0]=2 92 B10R1.3 COC1=CN=C(C=O)N=C1 M12145 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.3 COC1=CN=C(CCl)C=C1 C15224 [1,0,0,0,0,0|2,0,1]=4 94 B10R1.3 COC1=CN=C(CO)C=C1 H15223 [1,0,0,0,0,0|1,0,2]=4 95 B10R1.3 COC1=CN=C(OC)C=C1 D46391 [1,0,0,0,0,0|2,0,0]=3 96 B10R1.3 COC1=NC=C(C#N)C=C1 M9551 [1,0,0,0,0,0|2,0,1]=4 97 B10R1.3 COC1=NC=C(C=O)C=C1 M31008 [1,0,0,0,0,0|1,0,0]=2 98 B10R1.3 COC1=NC=C(C=O)C=N1 M42777 [1,0,0,0,0,0|2,0,0]=3 99 B10R1.3 COC1=NC=C(CBr)C=C1 B37014 [1,0,0,0,0,0|2,0,1]=4 100 B10R1.3 COC1=NC=C(CCl)C=C1 C46199 [1,0,0,0,0,0|2,0,1]=4 101 B10R1.3 COC1=NC=C(CN)C=C1 A10463 [1,0,0,0,0,0|2,0,1]=4 102 B10R1.3 COC1=NC=C(CN)C=C1 M29962 [1,0,0,0,0,0|2,0,1]=4 103 B10R1.3 COC1=NC=C(CN)C=C1 M46593 [1,0,0,0,0,0|2,0,1]=4 104 B10R1.3 COC1=NC=C(CO)C=C1 M0584 [1,0,0,0,0,0|1,0,2]=4 105 B10R1.3 COC1=NC=C(NN)C=C1 H43550 [1,0,0,0,0,0|3,0,0]=4 106 B10R1.3 CSC1=CC=C(C=O)C=C1 M49157 [1,0,0,0,0,0|0,1,0]=2 107 B10R1.3 CSC1=NC=C(C=O)C=N1 M14446 [1,0,0,0,0,0|2,1,0]=4 108 B10R1.3 N#CC1=CN=C(C=O)C=C1 F22261 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.3 N#CC1=NC=C(C=O)C=C1 F18629 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.3 O=CC1=CC=C(C=O)C=C1 T69290 [1,0,0,0,0,0|2,0,0]=3 111 B10R1.3 O=CC1=CC=C(CBr)C=C1 B24021 [1,0,0,0,0,0|2,0,0]=3 112 B10R1.3 O=CC1=CC=C(CCl)C=C1 C38746 [1,0,0,0,0,0|2,0,0]=3 113 B10R1.3 O=CC1=CC=C(CO)C=C1 H49069 [1,0,0,0,0,0|2,0,0]=3 114 B10R1.13 C=C(C)C1=CC=C(F)C=C1 F51670 [1,0,0,0,0,0|2,0,0]=3 115 B10R1.13 C=C(C)C1=CC=C(O)C=C1 P49877 [1,0,0,0,0,0|1,0,0]=2 116 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M68572 [1,0,0,0,0,0|0,0,0]=1 117 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C68865 [1,0,0,0,0,0|1,0,0]=2 118 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F38426 [1,0,0,0,0,0|1,0,0]=2 119 B10R1.13 CC(=O)C1=CC=C(I)C=C1 K39500 [1,0,0,0,0,0|1,0,0]=2 120 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A68181 [1,0,0,0,0,0|1,0,0]=2 121 B10R1.13 CC(=O)C1=CC=C(O)C=C1 H64899 [1,0,0,0,0,0|0,0,0]=1 122 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 B3106 [1,0,0,0,0,0|2,0,0]=3 123 B10R1.13 CC(=O)C1=CN=C(C)C=C1 A23296 [1,0,0,0,0,0|1,0,0]=2 124 B10R1.13 CC(=O)C1=CN=C(C)N=C1 M13671 [1,0,0,0,0,0|2,0,0]=3 125 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 A24257 [1,0,0,0,0,0|2,0,0]=3 126 B10R1.13 CC(=O)C1=CN=C(Cl)N=C1 C16565 [1,0,0,0,0,0|3,0,0]=4 127 B10R1.13 CC(=O)C1=CN=C(F)C=C1 F45498 [1,0,0,0,0,0|2,0,0]=3 128 B10R1.13 CC(=O)C1=CN=C(N)C=C1 A22139 [1,0,0,0,0,0|2,0,0]=3 129 B10R1.13 CC(=O)C1=CN=C(N)N=C1 A43099 [1,0,0,0,0,0|3,0,0]=4 130 B10R1.13 CC(=O)C1=CNC(=O)C=C1 A67563 [1,0,0,0,0,0|1,0,1]=3 131 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 B22347 [1,0,0,0,0,0|2,0,0]=3 132 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 B11274 [1,0,0,0,0,0|3,0,0]=4 133 B10R1.13 CC(=O)C1=NC=C(C)C=C1 M49266 [1,0,0,0,0,0|1,0,0]=2 134 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 C26822 [1,0,0,0,0,0|2,0,0]=3 135 B10R1.13 CC(=O)C1=NC=C(F)C=N1 F9990 [1,0,0,0,0,0|3,0,0]=4 136 B10R1.13 CC(=O)C1=NC=C(O)C=C1 H45820 [1,0,0,0,0,0|1,0,0]=2 137 B10R1.13 CC(=O)C1=NC=C(O)N=C1 H42776 [1,0,0,0,0,0|2,0,0]=3 138 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 A15077 [1,0,0,0,0,0|3,0,0]=4 139 B10R1.13 CC(C)C1=CC=C(Br)C=C1 B49963 [1,0,0,0,0,0|2,0,1]=4 140 B10R1.13 CC(C)C1=CC=C(N)C=C1 P69319 [1,0,0,0,0,0|2,0,1]=4 141 B10R1.13 CC(C)C1=CC=C(O)C=C1 P60863 [1,0,0,0,0,0|1,0,1]=3 142 B10R1.13 CC(C)C1=CC=C([Mg+])C=C1 P31759 [1,0,0,0,0,0|2,0,1]=4 143 B10R1.13 CC1=CC=C(B(O)O)C=C1 T5215 [1,0,0,0,0,0|2,0,1]=4 144 B10R1.13 CC1=CC=C(C(=N)N)C=C1 M38078 [1,0,0,0,0,0|2,0,0]=3 145 B10R1.13 CC1=CC=C(C(=O)O)C=C1 M64877 [1,0,0,0,0,0|1,0,0]=2 146 B10R1.13 CC1=CC=C(C(C)C)C=C1 D60786 [1,0,0,0,0,0|1,0,1]=3 147 B10R1.13 CC1=CC=C(C(N)=O)C=C1 M39514 [1,0,0,0,0,0|1,0,0]=2 148 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T52161 [1,0,0,0,0,0|1,0,1]=3 149 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T60511 [1,0,0,0,0,0|1,0,1]=3 150 B10R1.13 CC1=CC=C([C@@H](C)O)C=C1 T50271 [1,0,0,0,0,0|0,0,2]=3 151 B10R1.13 CC1=CC=C([S@](=O)[O-])C=C1 S38423 [1,0,0,0,0,0|2,0,0]=3 152 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 M65785 [1,0,0,0,0,0|1,0,0]=2 153 B10R1.13 CC1=CC=C([S@](N)=O)C=C1 M36646 [1,0,0,0,0,0|2,0,0]=3 154 B10R1.13 CC1=CN=C(C(=O)O)C=C1 M23707 [1,0,0,0,0,0|2,0,0]=3 155 B10R1.13 CC1=CN=C(C(=O)O)C=C1 M46550 [1,0,0,0,0,0|2,0,0]=3 156 B10R1.13 CC1=CN=C(C(=O)O)C=N1 M4677 [1,0,0,0,0,0|3,0,0]=4 157 B10R1.13 CC1=CN=C(C(=O)O)N=C1 M11475 [1,0,0,0,0,0|3,0,0]=4 158 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 M49667 [1,0,0,0,0,0|2,0,1]=4 159 B10R1.13 CC1=CN=C([N+](=O)[O-])C=C1 M42775 [1,0,0,0,0,0|3,0,0]=4 160 B10R1.13 CC1=NC=C(C(=O)O)C=C1 M10933 [1,0,0,0,0,0|2,0,0]=3 161 B10R1.13 CC1=NC=C([C@H](C)O)C=C1 H64312 [1,0,0,0,0,0|1,0,2]=4 162 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 M4745 [1,0,0,0,0,0|3,0,0]=4 163 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 C46751 [1,0,0,0,0,0|3,0,0]=4 164 B10R1.13 CN(C)C1=CC=C(I)C=C1 K46770 [1,0,0,0,0,0|3,0,0]=4 165 B10R1.13 CN(C)C1=CC=C([Mg+])C=C1 D31762 [1,0,0,0,0,0|3,0,0]=4 166 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 B38580 [1,0,0,0,0,0|2,0,1]=4 167 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 C64533 [1,0,0,0,0,0|2,0,1]=4 168 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 F46766 [1,0,0,0,0,0|2,0,1]=4 169 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 F49509 [1,0,0,0,0,0|2,0,1]=4 170 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 B49428 [1,0,0,0,0,0|1,0,2]=4 171 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 C49454 [1,0,0,0,0,0|1,0,2]=4 172 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 F49461 [1,0,0,0,0,0|1,0,2]=4 173 B10R1.13 C[C@H](Br)C1=CC=C(F)C=C1 B36983 [1,0,0,0,0,0|2,0,1]=4 174 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B46724 [1,0,0,0,0,0|2,0,1]=4 175 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B46735 [1,0,0,0,0,0|2,0,1]=4 176 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B65383 [1,0,0,0,0,0|2,0,1]=4 177 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 F36974 [1,0,0,0,0,0|2,0,1]=4 178 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 F64415 [1,0,0,0,0,0|2,0,1]=4 179 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 K46768 [1,0,0,0,0,0|2,0,1]=4 180 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 K46771 [1,0,0,0,0,0|2,0,1]=4 181 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 A46957 [1,0,0,0,0,0|2,0,1]=4 182 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 B49431 [1,0,0,0,0,0|1,0,2]=4 183 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49442 [1,0,0,0,0,0|1,0,2]=4 184 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49449 [1,0,0,0,0,0|1,0,2]=4 185 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 F49463 [1,0,0,0,0,0|1,0,2]=4 186 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 H46826 [1,0,0,0,0,0|0,0,2]=3 187 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 B63199 [1,0,0,0,0,0|2,0,0]=3 188 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 B45615 [1,0,0,0,0,0|3,0,0]=4 189 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 B45619 [1,0,0,0,0,0|3,0,0]=4 190 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 C45622 [1,0,0,0,0,0|3,0,0]=4 191 B10R1.13 N=C(N)C1=CC=C(F)C=C1 F46534 [1,0,0,0,0,0|3,0,0]=4 192 B10R1.13 N=C(N)C1=CC=C(F)C=C1 F9396 [1,0,0,0,0,0|3,0,0]=4 193 B10R1.13 N=C(N)C1=CC=C(N)C=C1 A4675 [1,0,0,0,0,0|3,0,0]=4 194 B10R1.13 N=C(N)C1=CC=C(O)C=C1 H46554 [1,0,0,0,0,0|2,0,0]=3 195 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 B45467 [1,0,0,0,0,0|2,0,0]=3 196 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 C45478 [1,0,0,0,0,0|2,0,0]=3 197 B10R1.13 NC(=O)C1=CC=C(N)C=C1 A37818 [1,0,0,0,0,0|2,0,0]=3 198 B10R1.13 NC(=O)C1=CN=C(Br)C=C1 B9626 [1,0,0,0,0,0|3,0,0]=4 199 B10R1.13 NC(=O)C1=CN=C(Cl)C=C1 C42457 [1,0,0,0,0,0|3,0,0]=4 200 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 B26330 [1,0,0,0,0,0|3,0,0]=4 201 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 C42456 [1,0,0,0,0,0|3,0,0]=4 202 B10R1.13 NC(=O)C1=NC=C(F)C=C1 F42460 [1,0,0,0,0,0|3,0,0]=4 203 B10R1.13 NC(=O)C1=NC=C(N)C=C1 A43096 [1,0,0,0,0,0|3,0,0]=4 204 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 C64929 [1,0,0,0,0,0|2,1,0]=4 205 B10R1.13 NC(=S)C1=CC=C(O)C=C1 H39401 [1,0,0,0,0,0|1,1,0]=3 206 B10R1.13 NC1=CN=C(C(=O)O)C=C1 A1119 [1,0,0,0,0,0|3,0,0]=4 207 B10R1.13 NC1=NC=C(C(=O)O)C=C1 A4758 [1,0,0,0,0,0|3,0,0]=4 208 B10R1.13 O=C(Cl)C1=CN=C(Cl)C=C1 C42006 [1,0,0,0,0,0|3,0,0]=4 209 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 C67273 [1,0,0,0,0,0|2,0,0]=3 210 B10R1.13 O=C(O)C1=CC=C(I)C=C1 K39365 [1,0,0,0,0,0|2,0,0]=3 211 B10R1.13 O=C(O)C1=CC=C(S)C=C1 M69070 [1,0,0,0,0,0|1,1,0]=3 212 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 B4499 [1,0,0,0,0,0|3,0,0]=4 213 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 C24114 [1,0,0,0,0,0|3,0,0]=4 214 B10R1.13 O=C(O)C1=CN=C(F)C=C1 F2849 [1,0,0,0,0,0|3,0,0]=4 215 B10R1.13 O=C(O)C1=CN=C(O)N=C1 H4911 [1,0,0,0,0,0|3,0,0]=4 216 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 B4511 [1,0,0,0,0,0|3,0,0]=4 217 B10R1.13 O=C(O)C1=NC=C(F)C=C1 F13767 [1,0,0,0,0,0|3,0,0]=4 218 B10R1.13 O=C(O)C1=NC=C(I)C=C1 I38885 [1,0,0,0,0,0|3,0,0]=4 219 B10R1.13 O=C(O)C1=NC=C(O)C=C1 H8151 [1,0,0,0,0,0|2,0,0]=3 220 B10R1.13 O=C(O)C1=NC=C(O)N=C1 H12388 [1,0,0,0,0,0|3,0,0]=4 221 B10R1.13 O=C(O)C1=NN=C(O)C=C1 H0266 [1,0,0,0,0,0|3,0,0]=4 222 B10R1.13 O=C(O)C1=NN=C(O)C=C1 H41345 [1,0,0,0,0,0|3,0,0]=4 223 B10R1.13 O=C1C=CC(C(=O)O)=CN1 H12738 [1,0,0,0,0,0|2,0,1]=4 224 B10R1.13 O=C1C=CC(C(=O)O)=CO1 C7780 [1,0,0,0,0,0|2,0,1]=4 225 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 F68090 [1,0,0,0,0,0|3,0,0]=4 226 B10R1.13 O=[N+]([O-])C1=CN=C(O)C=C1 H68889 [1,0,0,0,0,0|3,0,0]=4 227 B10R1.13 O=[N+]([O-])C1=NC=C(O)C=C1 H40759 [1,0,0,0,0,0|3,0,0]=4 228 B10R1.13 O=[S@](O)C1=CC=C(Br)C=C1 B42696 [1,0,0,0,0,0|3,0,0]=4 229 B10R1.13 O=[S@]([O-])C1=CC=C(F)C=C1 S42324 [1,0,0,0,0,0|3,0,0]=4 230 B12R1.5 C#CC1=CC=C(C(=O)OC)C=C1 M38528 [0,1,0,0,0,0|1,0,1]=3 231 B12R1.5 C#CC1=CN=C(C(=O)OC)C=C1 M51168 [0,1,0,0,0,0|2,0,1]=4 232 B12R1.5 C#CC1=NC=C(C(=O)OC)C=C1 M51169 [0,1,0,0,0,0|2,0,1]=4 233 B12R1.5 C=CC1=CC=C(C(=O)OC)C=C1 M52426 [0,1,0,0,0,0|1,0,1]=3 234 B12R1.5 CCC(=O)C1=CC=C(CC)C=C1 E22775 [0,1,0,0,0,0|1,0,0]=2 235 B12R1.5 CNC(=O)C1=CC=C(OC)C=C1 M50044 [0,1,0,0,0,0|0,0,0]=1 236 B12R1.5 COC(=O)C1=CC=C(C#N)C=C1 M51166 [0,1,0,0,0,0|2,0,0]=3 237 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 M37811 [0,1,0,0,0,0|2,0,0]=3 238 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 M51885 [0,1,0,0,0,0|2,0,0]=3 239 B12R1.5 COC(=O)C1=CC=C(CCl)C=C1 M39578 [0,1,0,0,0,0|2,0,0]=3 240 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 M52110 [0,1,0,0,0,0|2,0,0]=3 241 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 M64553 [0,1,0,0,0,0|2,0,0]=3 242 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 M68842 [0,1,0,0,0,0|0,0,0]=1 243 B12R1.5 COC(=O)C1=CN=C(C#N)C=C1 M13779 [0,1,0,0,0,0|3,0,0]=4 244 B12R1.5 COC(=O)C1=CN=C(C=O)C=C1 M16020 [0,1,0,0,0,0|3,0,0]=4 245 B12R1.5 COC(=O)C1=CN=C(CBr)C=C1 M18631 [0,1,0,0,0,0|3,0,0]=4 246 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 M49498 [0,1,0,0,0,0|3,0,0]=4 247 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 M37990 [0,1,0,0,0,0|3,0,0]=4 248 B12R1.5 COC(=O)C1=CN=C(OC)C=C1 M6283 [0,1,0,0,0,0|1,0,0]=2 249 B12R1.5 COC(=O)C1=CN=C(SC)N=C1 M12384 [0,1,0,0,0,0|2,1,0]=4 250 B12R1.5 COC(=O)C1=NC=C(CBr)C=C1 M36849 [0,1,0,0,0,0|3,0,0]=4 251 B12R1.5 COC(=O)C1=NC=C(OC)C=C1 M14343 [0,1,0,0,0,0|1,0,0]=2 252 B12R1.5 COC(=O)C1=NC=C(OC)N=C1 M67025 [0,1,0,0,0,0|2,0,0]=3 253 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 B68678 [0,1,0,0,0,0|0,0,0]=1 254 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 C68948 [0,1,0,0,0,0|0,0,0]=1 255 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 A50364 [0,1,0,0,0,0|1,0,1]=3 256 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 A52181 [0,1,0,0,0,0|1,0,1]=3 257 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 A52182 [0,1,0,0,0,0|1,0,1]=3 258 B12R1.5 COC1=CN=C(C(=N)NO)C=C1 H46346 [0,1,0,0,0,0|2,0,1]=4 259 B12R1.5 COC1=NC=C([C@@H](N)CO)C=C1 A49672 [0,1,0,0,0,0|2,0,1]=4 260 B12R1.5 N#CC1=CC=C(C(=O)CBr)C=C1 B50921 [0,1,0,0,0,0|2,0,0]=3 261 B12R1.5 N#CC1=CC=C(C(=O)NN)C=C1 C48390 [0,1,0,0,0,0|3,0,0]=4 262 B12R1.6 C#CC1=CC=C(S(C)(=O)=O)C=C1 E51620 [0,1,0,0,0,0|2,0,1]=4 263 B12R1.6 CNC1=CC=C(S(C)(=O)=O)C=C1 M49530 [0,1,0,0,0,0|2,0,0]=3 264 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 B54952 [0,1,0,0,0,0|1,0,1]=3 265 B12R1.6 COC1=CC=C(C(F)(F)F)C=C1 M48749 [0,1,0,0,0,0|2,0,1]=4 266 B12R1.6 COC1=CC=C(S(N)(=O)=O)C=C1 M46436 [0,1,0,0,0,0|2,0,0]=3 267 B12R1.6 CS(=O)(=O)C1=CC=C(C#N)C=C1 M48490 [0,1,0,0,0,0|3,0,0]=4 268 B12R1.6 CS(=O)(=O)C1=CC=C(C=O)C=C1 M67503 [0,1,0,0,0,0|3,0,0]=4 269 B12R1.6 CS(=O)(=O)C1=CC=C(CBr)C=C1 B49382 [0,1,0,0,0,0|3,0,0]=4 270 B12R1.6 CS(=O)(=O)C1=CC=C(CN)C=C1 M49531 [0,1,0,0,0,0|3,0,0]=4 271 B12R1.6 CS(=O)(=O)C1=CC=C(CO)C=C1 M46852 [0,1,0,0,0,0|3,0,0]=4 272 B12R1.6 CS(=O)(=O)C1=CC=C(NN)C=C1 M46468 [0,1,0,0,0,0|3,0,0]=4 273 B12R1.48 C#CC1=C(C)C=C(C(=O)O)C=C1 E53795 [0,1,0,0,0,0|2,0,1]=4 274 B12R1.48 C#CC1=C(Cl)C=C(C(=O)O)C=C1 C50768 [0,1,0,0,0,0|2,0,1]=4 275 B12R1.48 C#CC1=C(F)C=C(C(=O)O)C=C1 E50773 [0,1,0,0,0,0|2,0,1]=4 276 B12R1.48 CC(=O)C1=CC(F)=C(C#N)C=C1 A61009 [0,1,0,0,0,0|2,0,0]=3 277 B12R1.48 CC1=C(C#N)C=CC(C(=O)O)=C1 C51177 [0,1,0,0,0,0|3,0,0]=4 278 B12R1.48 CCC1=C(Br)C=C(C(=O)O)C=C1 B36941 [0,1,0,0,0,0|2,0,0]=3 279 B12R1.48 CCC1=C(N)C=C(C(=O)O)C=C1 A50040 [0,1,0,0,0,0|2,0,0]=3 280 B12R1.48 CCC1=C(N)C=C([N+](=O)[O-])C=C1 E46659 [0,1,0,0,0,0|3,0,0]=4 281 B12R1.48 CCN1C=CC(C(=O)O)=CC1=O E49341 [0,1,0,0,0,0|3,0,0]=4 282 B12R1.48 CNC1=C(C)C=C([N+](=O)[O-])C=C1 D46672 [0,1,0,0,0,0|3,0,0]=4 283 B12R1.48 CNC1=C(N)C=C(C(=O)O)C=C1 A46677 [0,1,0,0,0,0|2,0,0]=3 284 B12R1.48 CNC1=C(N)C=C([N+](=O)[O-])C=C1 M46347 [0,1,0,0,0,0|3,0,0]=4 285 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=C1 B48640 [0,1,0,0,0,0|1,0,0]=2 286 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=N1 B45411 [0,1,0,0,0,0|2,0,0]=3 287 B12R1.48 COC1=C(Br)C=C(C(C)=O)C=C1 B51906 [0,1,0,0,0,0|0,0,0]=1 288 B12R1.48 COC1=C(Br)C=C([N+](=O)[O-])C=C1 B39390 [0,1,0,0,0,0|2,0,0]=3 289 B12R1.48 COC1=C(Br)C=C([N+](=O)[O-])C=N1 B42431 [0,1,0,0,0,0|3,0,0]=4 290 B12R1.48 COC1=C(C)C=C(B(O)O)C=C1 M2759 [0,1,0,0,0,0|2,0,1]=4 291 B12R1.48 COC1=C(C)C=C(C(=O)O)C=C1 M49918 [0,1,0,0,0,0|1,0,0]=2 292 B12R1.48 COC1=C(C)C=C(C(C)=O)C=C1 M52806 [0,1,0,0,0,0|0,0,0]=1 293 B12R1.48 COC1=C(C)C=C([N+](=O)[O-])C=C1 M49329 [0,1,0,0,0,0|2,0,0]=3 294 B12R1.48 COC1=C(Cl)C=C(B(O)O)C=C1 C2212 [0,1,0,0,0,0|2,0,1]=4 295 B12R1.48 COC1=C(Cl)C=C(C(=O)O)C=C1 C36658 [0,1,0,0,0,0|1,0,0]=2 296 B12R1.48 COC1=C(Cl)C=C(C(=O)O)N=C1 C13348 [0,1,0,0,0,0|2,0,0]=3 297 B12R1.48 COC1=C(Cl)C=C([N+](=O)[O-])C=N1 C42439 [0,1,0,0,0,0|3,0,0]=4 298 B12R1.48 COC1=C(F)C=C(B(O)O)C=C1 F3260 [0,1,0,0,0,0|2,0,1]=4 299 B12R1.48 COC1=C(F)C=C(C(=O)O)C=C1 F69026 [0,1,0,0,0,0|1,0,0]=2 300 B12R1.48 COC1=C(F)C=C(C(=O)O)C=N1 F45448 [0,1,0,0,0,0|2,0,0]=3 301 B12R1.48 COC1=C(F)C=C(C(C)=O)C=C1 F51937 [0,1,0,0,0,0|0,0,0]=1 302 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 F52155 [0,1,0,0,0,0|1,0,1]=3 303 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 F63085 [0,1,0,0,0,0|1,0,1]=3 304 B12R1.48 COC1=C(F)C=C([N+](=O)[O-])C=C1 F45441 [0,1,0,0,0,0|2,0,0]=3 305 B12R1.48 COC1=C(I)C=C([N+](=O)[O-])C=C1 K69650 [0,1,0,0,0,0|2,0,0]=3 306 B12R1.48 COC1=C(N)C=C(C(=O)O)C=C1 A69041 [0,1,0,0,0,0|1,0,0]=2 307 B12R1.48 COC1=C(N)C=C([N+](=O)[O-])C=C1 M39427 [0,1,0,0,0,0|2,0,0]=3 308 B12R1.48 COC1=C(N)C=C([N+](=O)[O-])C=C1 M60757 [0,1,0,0,0,0|2,0,0]=3 309 B12R1.48 COC1=C(O)C=C([N+](=O)[O-])C=C1 M39400 [0,1,0,0,0,0|2,0,0]=3 310 B12R1.48 COC1=CC=C(C(=O)O)N=C1Br B45415 [0,1,0,0,0,0|2,0,0]=3 311 B12R1.48 COC1=CC=C([N+](=O)[O-])N=C1Br B42430 [0,1,0,0,0,0|3,0,0]=4 312 B12R1.48 COC1=NC=C([N+](=O)[O-])C=C1C M46031 [0,1,0,0,0,0|3,0,0]=4 313 B12R1.48 N#CC1=C(Cl)C=C(C(=O)O)C=C1 C47394 [0,1,0,0,0,0|3,0,0]=4 314 B12R1.48 N#CC1=C(F)C=C(C(=O)O)C=C1 C47404 [0,1,0,0,0,0|3,0,0]=4 315 B12R1.48 N#CC1=C(N)C=C(C(=O)O)C=C1 A36828 [0,1,0,0,0,0|3,0,0]=4 316 B12R1.48 O=CC1=C(Br)C=C(C(=O)O)C=C1 B47798 [0,1,0,0,0,0|3,0,0]=4 317 B12R1.48 O=CC1=C(O)C=C(C(=O)O)C=C1 F48232 [0,1,0,0,0,0|3,0,0]=4 318 B12R1.113 CC#CC1=CC=C(C(=O)O)C=C1 P53794 [0,1,0,0,0,0|2,0,0]=3 319 B12R1.113 CCCC1=CC=C(C(=O)O)C=C1 P39602 [0,1,0,0,0,0|2,0,0]=3 320 B12R1.113 CCOC1=CC=C(B(O)O)C=C1 E3100 [0,1,0,0,0,0|2,0,1]=4 321 B12R1.113 CCOC1=CC=C(C(C)=O)C=C1 E52787 [0,1,0,0,0,0|0,0,0]=1 322 B12R1.113 CCOC1=CN=C(C(=O)O)C=C1 E49300 [0,1,0,0,0,0|2,0,0]=3 323 B12R1.113 CCOC1=CN=C(C(=O)O)C=N1 E46032 [0,1,0,0,0,0|3,0,0]=4 324 B12R1.113 CCOC1=NC=C([N+](=O)[O-])C=C1 E46022 [0,1,0,0,0,0|3,0,0]=4 325 B12R1.113 CN(C)C1=CC=C(CCO)C=C1 D53144 [0,1,0,0,0,0|3,0,0]=4 326 B12R1.113 CNCC1=CC=C([N+](=O)[O-])C=C1 M46683 [0,1,0,0,0,0|3,0,0]=4 327 B12R1.113 NCCC1=CC=C([N+](=O)[O-])C=C1 N37750 [0,1,0,0,0,0|3,0,0]=4 328 B12R1.113 O=C(O)C1=CC=C(CCBr)C=C1 B51878 [0,1,0,0,0,0|2,0,0]=3 329 B12R1.113 O=C(O)C1=CC=C(CCO)C=C1 H49916 [0,1,0,0,0,0|2,0,0]=3 330 B12R1.113 O=[N+]([O-])C1=CC=C(CCBr)C=C1 B68534 [0,1,0,0,0,0|3,0,0]=4 331 B12R1.113 O=[N+]([O-])C1=CC=C(CCO)C=C1 N4656 [0,1,0,0,0,0|3,0,0]=4 332 B12R1.256 CC(=O)C1=CC=C(B(O)O)C=C1 A49401 [0,1,0,0,0,0|2,0,0]=3 333 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 A67428 [0,1,0,0,0,0|2,0,0]=3 334 B12R1.256 CC(=O)C1=CC=C(N(C)C)C=C1 D39613 [0,1,0,0,0,0|1,0,0]=2 335 B12R1.256 CC(=O)C1=NC=C(C(C)C)C=C1 P52923 [0,1,0,0,0,0|2,0,0]=3 336 B12R1.256 CN(C)C1=NC=C(C(=O)O)C=C1 D64546 [0,1,0,0,0,0|3,0,0]=4 337 B12R1.256 C[C@@H](N)C1=CC=C(C(=O)O)C=C1 A52113 [0,1,0,0,0,0|2,0,0]=3 338 B12R1.256 C[C@@H](N)C1=CC=C([N+](=O)[O-])C=C1 N65405 [0,1,0,0,0,0|3,0,0]=4 339 B12R1.256 C[C@@H](O)C1=CC=C([N+](=O)[O-])C=C1 N49316 [0,1,0,0,0,0|3,0,0]=4 340 B12R1.256 C[C@H](Br)C1=CC=C([N+](=O)[O-])C=C1 B48914 [0,1,0,0,0,0|3,0,0]=4 341 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 A22822 [0,1,0,0,0,0|2,0,0]=3 342 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 A50063 [0,1,0,0,0,0|2,0,0]=3 343 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 A52114 [0,1,0,0,0,0|2,0,0]=3 344 B12R1.256 C[C@H](N)C1=CC=C([N+](=O)[O-])C=C1 N49496 [0,1,0,0,0,0|3,0,0]=4 345 B12R1.256 C[C@H](O)C1=CC=C(C(=O)O)C=C1 H49915 [0,1,0,0,0,0|2,0,0]=3 346 B12R1.256 C[C@H](O)C1=CC=C(C(N)=O)C=C1 H50041 [0,1,0,0,0,0|2,0,0]=3 347 B12R1.256 C[S@](=O)C1=CC=C(B(O)O)C=C1 M4480 [0,1,0,0,0,0|3,0,0]=4 348 B12R1.256 C[SiH](C)C1=CC=C([SiH](C)C)C=C1 B53282 [0,1,0,0,0,0|2,1,0]=4 349 B12R1.256 N=C(N)C1=CC=C(C(=O)O)C=C1 C38812 [0,1,0,0,0,0|3,0,0]=4 350 B12R1.256 N=C(N)C1=CC=C(C(N)=O)C=C1 C49628 [0,1,0,0,0,0|3,0,0]=4 351 B12R1.256 NC(=O)C1=CC=C(B(O)O)C=C1 A1160 [0,1,0,0,0,0|3,0,0]=4 352 B12R1.256 O=C(O)C1=CC=C(B(O)O)C=C1 C2180 [0,1,0,0,0,0|3,0,0]=4 353 B12R1.256 O=C(O)C1=CC=C([N+](=O)[O-])C=C1 P67039 [0,1,0,0,0,0|3,0,0]=4 354 B12R1.256 O=C([O-])C1=CC=C([N+](=O)[O-])C=C1 S46455 [0,1,0,0,0,0|3,0,0]=4 355 B12R1.452 C#CC1=CC(Cl)=C(C(=O)O)C=C1 C50767 [0,1,0,0,0,0|2,0,1]=4 356 B12R1.452 C#CC1=CC(F)=C(C(=O)O)C=C1 E50772 [0,1,0,0,0,0|2,0,1]=4 357 B12R1.452 CC1=C(C(=O)O)C=CC(C#N)=C1 C63687 [0,1,0,0,0,0|3,0,0]=4 358 B12R1.452 COC1=CC(Br)=C(C(=O)O)C=C1 B38494 [0,1,0,0,0,0|1,0,0]=2 359 B12R1.452 COC1=CC(Br)=C([N+](=O)[O-])C=C1 B45420 [0,1,0,0,0,0|2,0,0]=3 360 B12R1.452 COC1=CC(C)=C(B(O)O)C=C1 M4226 [0,1,0,0,0,0|2,0,1]=4 361 B12R1.452 COC1=CC(C)=C(C(=O)O)C=C1 M49917 [0,1,0,0,0,0|1,0,0]=2 362 B12R1.452 COC1=CC(C)=C([N+](=O)[O-])C=C1 M39518 [0,1,0,0,0,0|2,0,0]=3 363 B12R1.452 COC1=CC(C)=C([N+](=O)[O-])C=N1 M3749 [0,1,0,0,0,0|3,0,0]=4 364 B12R1.452 COC1=CC(Cl)=C(B(O)O)C=C1 C2208 [0,1,0,0,0,0|2,0,1]=4 365 B12R1.452 COC1=CC(Cl)=C(C(=O)O)C=C1 C68933 [0,1,0,0,0,0|1,0,0]=2 366 B12R1.452 COC1=CC(Cl)=C(C(=O)O)N=C1 C45433 [0,1,0,0,0,0|2,0,0]=3 367 B12R1.452 COC1=CC(Cl)=C(C(C)=O)C=C1 C51927 [0,1,0,0,0,0|0,0,0]=1 368 B12R1.452 COC1=CC(Cl)=C([N+](=O)[O-])C=C1 C45438 [0,1,0,0,0,0|2,0,0]=3 369 B12R1.452 COC1=CC(Cl)=C([N+](=O)[O-])C=N1 C13431 [0,1,0,0,0,0|3,0,0]=4 370 B12R1.452 COC1=CC(F)=C(B(O)O)C=C1 F3224 [0,1,0,0,0,0|2,0,1]=4 371 B12R1.452 COC1=CC(F)=C(C(=O)O)C=C1 F67517 [0,1,0,0,0,0|1,0,0]=2 372 B12R1.452 COC1=CC(F)=C(C(C)=O)C=C1 F15561 [0,1,0,0,0,0|0,0,0]=1 373 B12R1.452 COC1=CC(F)=C(C(C)C)C=C1 F15562 [0,1,0,0,0,0|1,0,1]=3 374 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 F52154 [0,1,0,0,0,0|1,0,1]=3 375 B12R1.452 COC1=CC(F)=C([N+](=O)[O-])C=C1 F38632 [0,1,0,0,0,0|2,0,0]=3 376 B12R1.452 COC1=CC(I)=C(C(=O)O)C=C1 K48689 [0,1,0,0,0,0|1,0,0]=2 377 B12R1.452 COC1=CC(I)=C([N+](=O)[O-])C=C1 K45457 [0,1,0,0,0,0|2,0,0]=3 378 B12R1.452 COC1=CC(N)=C(C(=O)O)C=C1 A10725 [0,1,0,0,0,0|1,0,0]=2 379 B12R1.452 COC1=CC(N)=C(C(=O)O)C=N1 A12851 [0,1,0,0,0,0|2,0,0]=3 380 B12R1.452 COC1=CC(N)=C(C(C)=O)C=C1 A61340 [0,1,0,0,0,0|0,0,0]=1 381 B12R1.452 COC1=CC(N)=C([N+](=O)[O-])C=C1 M46026 [0,1,0,0,0,0|2,0,0]=3 382 B12R1.452 COC1=CC(N)=C([N+](=O)[O-])C=N1 M43116 [0,1,0,0,0,0|3,0,0]=4 383 B12R1.452 COC1=CC(O)=C(C(=O)O)C=C1 H49115 [0,1,0,0,0,0|1,0,0]=2 384 B12R1.452 COC1=CC(O)=C(C(=O)[O-])C=C1 P46627 [0,1,0,0,0,0|1,0,0]=2 385 B12R1.452 COC1=CC(O)=C(C(C)=O)C=C1 H1583 [0,1,0,0,0,0|0,0,0]=1 386 B12R1.452 COC1=CC(O)=C([N+](=O)[O-])C=C1 M45859 [0,1,0,0,0,0|2,0,0]=3 387 B12R1.452 COC1=CC=C(C(=O)O)C(Cl)=N1 C45432 [0,1,0,0,0,0|2,0,0]=3 388 B12R1.452 COC1=CC=C([N+](=O)[O-])C(=O)N1 M62251 [0,1,0,0,0,0|3,0,0]=4 389 B12R1.452 COC1=CC=C([N+](=O)[O-])C(Br)=N1 B9628 [0,1,0,0,0,0|3,0,0]=4 390 B12R1.452 COC1=CC=C([N+](=O)[O-])C(Cl)=N1 C42438 [0,1,0,0,0,0|3,0,0]=4 391 B12R1.452 COC1=CC=C([N+](=O)[O-])C(I)=N1 K62217 [0,1,0,0,0,0|3,0,0]=4 392 B12R1.452 COC1=CN=C(C(=O)O)C(N)=C1 A62991 [0,1,0,0,0,0|2,0,0]=3 393 B12R1.452 COC1=NC(C)=C([N+](=O)[O-])C=C1 M46033 [0,1,0,0,0,0|3,0,0]=4 394 B12R1.452 COC1=NC(N)=C([N+](=O)[O-])C=C1 M39276 [0,1,0,0,0,0|3,0,0]=4 395 B12R1.452 CSC1=NC(N)=C(C(C)=O)C=N1 A12134 [0,1,0,0,0,0|2,1,0]=4 396 B12R1.452 CSC1=NC=C(C(C)=O)C(Cl)=N1 C45703 [0,1,0,0,0,0|2,1,0]=4 397 B12R1.452 N#CC1=CC(Br)=C(C(=O)O)C=C1 B47384 [0,1,0,0,0,0|3,0,0]=4 398 B12R1.452 N#CC1=CC(Cl)=C(C(=O)O)C=C1 C16998 [0,1,0,0,0,0|3,0,0]=4 399 B12R1.452 N#CC1=CC(F)=C(C(=O)O)C=C1 C47403 [0,1,0,0,0,0|3,0,0]=4 400 B12R1.452 N#CC1=CC(I)=C(C(=O)O)C=C1 C47410 [0,1,0,0,0,0|3,0,0]=4 401 B12R1.452 NNC1=CC(Cl)=C(C(=O)O)C=C1 C45664 [0,1,0,0,0,0|3,0,0]=4 402 B12R1.452 O=C(O)C1=C(F)C=C(CO)C=C1 F63304 [0,1,0,0,0,0|3,0,0]=4 403 B12R1.452 O=CC1=CC(Cl)=C(C(=O)O)C=C1 C63482 [0,1,0,0,0,0|3,0,0]=4 404 B12R2.1384 O=C(O)C1=CC2=C(C=C1)CC2 B51559 [0,0,0,1,0,0|2,0,0]=3 405 B10R1.31 CC(=O)C1=CC=C(C=O)S1 A45521 [0,0,0,0,1,0|3,0,0]=4 406 B10R1.31 CC(=O)C1=CNC(C=O)=C1 A63189 [0,0,0,0,1,0|3,0,0]=4 407 B10R1.31 COC1=CN=C(C(=O)O)O1 M41003 [0,0,0,0,1,0|3,0,0]=4 408 B12R1.4 C=CC1=CC=C(OC(C)=O)C=C1 A52418 [0,0,0,0,0,1|1,0,1]=3 409 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 C60964 [0,0,0,0,0,1|2,0,0]=3 410 B12R1.4 CC(=O)NC1=CC=C(C=O)C=C1 F61966 [0,0,0,0,0,1|2,0,0]=3 411 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 A50169 [0,0,0,0,0,1|2,0,0]=3 412 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 A52132 [0,0,0,0,0,1|2,0,0]=3 413 B12R1.4 CC(=O)OC1=CC=C(CBr)C=C1 B51883 [0,0,0,0,0,1|2,0,0]=3 414 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 M37629 [0,0,0,0,0,1|1,0,0]=2 415 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 M39603 [0,0,0,0,0,1|0,0,0]=1 416 B12R1.4 COC1=CC=C(CC(N)=O)C=C1 M50047 [0,0,0,0,0,1|1,0,0]=2 417 B12R1.4 COC1=CC=C(OC(=O)Cl)C=C1 M48659 [0,0,0,0,0,1|1,0,0]=2 418 B12R1.4 CSC1=CC=C(CC(=O)O)C=C1 M49906 [0,0,0,0,0,1|1,1,0]=3 419 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 C51175 [0,0,0,0,0,1|3,0,0]=4 420 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 A52120 [0,0,0,0,0,1|3,0,0]=4 421 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 B51900 [0,0,0,0,0,1|3,0,0]=4 422 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 H49932 [0,0,0,0,0,1|3,0,0]=4 423 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 F51626 [0,0,0,0,0,1|3,0,0]=4 424 B9R1.1 C#CC1=CC=C(C)C=C1 E68609 [2,0,0,0,0,0|0,0,2]=4 425 B9R1.1 C=CC1=CC=C(Br)C=C1 B68124 [2,0,0,0,0,0|1,0,1]=4 426 B9R1.1 C=CC1=CC=C(O)C=C1 V67697 [2,0,0,0,0,0|0,0,1]=3 427 B9R1.1 C=CC1=CN=C(C)C=C1 M11564 [2,0,0,0,0,0|1,0,1]=4 428 B9R1.1 CC1=CC=C(C=O)C=C1 M68600 [2,0,0,0,0,0|0,0,0]=2 429 B9R1.1 CC1=CC=C(CN)C=C1 M69544 [2,0,0,0,0,0|1,0,1]=4 430 B9R1.1 CC1=CC=C(CO)C=C1 T37852 [2,0,0,0,0,0|0,0,2]=4 431 B9R1.1 CC1=CC=C(NN)C=C1 T68855 [2,0,0,0,0,0|2,0,0]=4 432 B9R1.1 CC1=CN=C(C=O)C=C1 M3063 [2,0,0,0,0,0|1,0,0]=3 433 B9R1.1 CC1=CN=C(C=O)C=N1 M14618 [2,0,0,0,0,0|2,0,0]=4 434 B9R1.1 CC1=CN=C(C=O)N=C1 M11474 [2,0,0,0,0,0|2,0,0]=4 435 B9R1.1 CC1=NC=C(C=O)C=C1 M0419 [2,0,0,0,0,0|1,0,0]=3 436 B9R1.1 CC1=NC=C(C=O)C=N1 M12382 [2,0,0,0,0,0|2,0,0]=4 437 B9R1.1 CCC1=CC=C(Br)C=C1 B68945 [2,0,0,0,0,0|1,0,1]=4 438 B9R1.1 CCC1=CC=C(Cl)C=C1 C49160 [2,0,0,0,0,0|1,0,1]=4 439 B9R1.1 CCC1=CC=C(I)C=C1 E49167 [2,0,0,0,0,0|1,0,1]=4 440 B9R1.1 CCC1=CC=C([Mg+])C=C1 E31741 [2,0,0,0,0,0|1,0,1]=4 441 B9R1.1 CNC1=CC=C(Br)C=C1 B61266 [2,0,0,0,0,0|2,0,0]=4 442 B9R1.1 CNC1=CC=C(C)C=C1 D39432 [2,0,0,0,0,0|1,0,0]=3 443 B9R1.1 CNC1=CC=C(I)C=C1 K46120 [2,0,0,0,0,0|2,0,0]=4 444 B9R1.1 CNC1=CC=C(N)C=C1 M69627 [2,0,0,0,0,0|2,0,0]=4 445 B9R1.1 CNC1=CN=C(C)C=C1 D43616 [2,0,0,0,0,0|2,0,0]=4 446 B9R1.1 CNC1=NC=C(C)C=C1 D43614 [2,0,0,0,0,0|2,0,0]=4 447 B9R1.1 COC1=CC=C(S)C=C1 M46276 [2,0,0,0,0,0|0,1,0]=3 448 B9R1.1 COC1=CC=C([Mg+])C=C1 M31744 [2,0,0,0,0,0|1,0,0]=3 449 B9R1.1 COC1=CN=C(Br)C=C1 B5045 [2,0,0,0,0,0|2,0,0]=4 450 B9R1.1 COC1=CN=C(Cl)C=C1 C19386 [2,0,0,0,0,0|2,0,0]=4 451 B9R1.1 COC1=CN=C(F)C=C1 F42925 [2,0,0,0,0,0|2,0,0]=4 452 B9R1.1 COC1=CN=C(I)C=C1 I5931 [2,0,0,0,0,0|2,0,0]=4 453 B9R1.1 COC1=CN=C(N)C=C1 A10497 [2,0,0,0,0,0|2,0,0]=4 454 B9R1.1 COC1=NC=C(Br)C=C1 B9550 [2,0,0,0,0,0|2,0,0]=4 455 B9R1.1 COC1=NC=C(C)C=C1 M67554 [2,0,0,0,0,0|1,0,0]=3 456 B9R1.1 COC1=NC=C(Cl)C=C1 C42903 [2,0,0,0,0,0|2,0,0]=4 457 B9R1.1 COC1=NC=C(F)C=C1 F24011 [2,0,0,0,0,0|2,0,0]=4 458 B9R1.1 COC1=NC=C(I)C=C1 K42935 [2,0,0,0,0,0|2,0,0]=4 459 B9R1.1 COC1=NC=C(N)C=C1 A12692 [2,0,0,0,0,0|2,0,0]=4 460 B9R1.1 COC1=NC=C(O)C=C1 H43140 [2,0,0,0,0,0|1,0,1]=4 461 B9R1.1 COC1=NN=C(C)C=C1 M43203 [2,0,0,0,0,0|2,0,0]=4 462 B9R1.1 CSC1=CC=C(I)C=C1 I38579 [2,0,0,0,0,0|1,1,0]=4 463 B9R1.1 CSC1=CC=C(O)C=C1 M67393 [2,0,0,0,0,0|1,0,0]=3 464 B9R1.1 CSC1=CC=C([Mg+])C=C1 M31771 [2,0,0,0,0,0|1,1,0]=4 465 B9R1.1 N#CC1=CC=C(O)C=C1 C64941 [2,0,0,0,0,0|1,0,1]=4 466 B9R1.1 NC1=NC=C(C=O)C=C1 A12393 [2,0,0,0,0,0|2,0,0]=4 467 B9R1.1 NC1=NC=C(C=O)C=C1 A43519 [2,0,0,0,0,0|2,0,0]=4 468 B9R1.1 NCC1=CC=C(O)C=C1 A67587 [2,0,0,0,0,0|1,0,1]=4 469 B9R1.1 O=CC1=CC=C(Br)C=C1 B67400 [2,0,0,0,0,0|1,0,0]=3 470 B9R1.1 O=CC1=CC=C(Cl)C=C1 C37300 [2,0,0,0,0,0|1,0,0]=3 471 B9R1.1 O=CC1=CC=C(F)C=C1 F4631 [2,0,0,0,0,0|1,0,0]=3 472 B9R1.1 O=CC1=CC=C(I)C=C1 K20170 [2,0,0,0,0,0|1,0,0]=3 473 B9R1.1 O=CC1=CN=C(Br)C=C1 B2834 [2,0,0,0,0,0|2,0,0]=4 474 B9R1.1 O=CC1=CN=C(Cl)C=C1 C3215 [2,0,0,0,0,0|2,0,0]=4 475 B9R1.1 O=CC1=CN=C(F)C=C1 F13991 [2,0,0,0,0,0|2,0,0]=4 476 B9R1.1 O=CC1=CNC(=O)C=C1 X42601 [2,0,0,0,0,0|1,0,1]=4 477 B9R1.1 O=CC1=NC=C(Br)C=C1 B1678 [2,0,0,0,0,0|2,0,0]=4 478 B9R1.1 O=CC1=NC=C(Cl)C=C1 C5623 [2,0,0,0,0,0|2,0,0]=4 479 B9R1.1 O=CC1=NC=C(O)C=C1 H36846 [2,0,0,0,0,0|1,0,0]=3 480 B9R1.6 CC(=O)C1=CN=CN=C1 A7446 [2,0,0,0,0,0|2,0,0]=4 481 B9R1.6 CC(=O)C1=CN=NC=C1 A10222 [2,0,0,0,0,0|2,0,0]=4 482 B9R1.6 CC(=O)C1=NC=CC=N1 A8017 [2,0,0,0,0,0|2,0,0]=4 483 B9R1.6 CC(=O)C1=NC=CN=C1 A39262 [2,0,0,0,0,0|2,0,0]=4 484 B9R1.6 CC(=O)C1=NC=NC=C1 A12246 [2,0,0,0,0,0|2,0,0]=4 485 B9R1.6 CC(=O)C1=NN=CC=C1 P0157 [2,0,0,0,0,0|2,0,0]=4 486 B9R1.6 C[C@@H](N)C1=CC=CC=C1 P68072 [2,0,0,0,0,0|1,0,1]=4 487 B9R1.6 C[C@@H](O)C1=CC=CC=C1 P46824 [2,0,0,0,0,0|0,0,2]=4 488 B9R1.6 C[C@H](N)C1=CC=CC=C1 P68597 [2,0,0,0,0,0|1,0,1]=4 489 B9R1.6 C[C@H](N)C1=CC=CC=C1 P69271 [2,0,0,0,0,0|1,0,1]=4 490 B9R1.6 C[C@H](O)C1=CC=CC=C1 P46823 [2,0,0,0,0,0|0,0,2]=4 491 B9R1.6 C[S@](=O)C1=CC=CC=C1 M61814 [2,0,0,0,0,0|1,0,0]=3 492 B9R1.6 C[S@](=O)C1=NC=CC=C1 M43172 [2,0,0,0,0,0|2,0,0]=4 493 B9R1.6 N=C(N)C1=CC=CC=C1 B39428 [2,0,0,0,0,0|2,0,0]=4 494 B9R1.6 NC(=O)C1=CC=CC=C1 B69845 [2,0,0,0,0,0|1,0,0]=3 495 B9R1.6 NC(=O)C1=NC=CC=C1 P60877 [2,0,0,0,0,0|2,0,0]=4 496 B9R1.6 O=C(Cl)C1=CC=NC=C1 N39246 [2,0,0,0,0,0|2,0,0]=4 497 B9R1.6 O=C(Cl)C1=NC=CC=C1 P42299 [2,0,0,0,0,0|2,0,0]=4 498 B9R1.6 O=C(O)C1=NC=CC=C1 P62145 [2,0,0,0,0,0|2,0,0]=4 499 B9R1.6 O=[S@]([O-])C1=CC=CC=C1 S68689 [2,0,0,0,0,0|2,0,0]=4 500 B11R1.83 C#CC1=CC=C(OCC)C=C1 E52410 [1,1,0,0,0,0|0,0,2]=4 501 B11R1.83 CCC1=CC=C(CNC)C=C1 E53118 [1,1,0,0,0,0|1,0,1]=4 502 B11R1.83 CCCC1=CC=C(C=O)C=C1 P52777 [1,1,0,0,0,0|1,0,0]=3 503 B11R1.83 CCOC1=CC=C(CN)C=C1 E50343 [1,1,0,0,0,0|1,0,1]=4 504 B11R1.83 CCOC1=NC=C(C=O)C=C1 E49274 [1,1,0,0,0,0|1,0,0]=3 505 B11R1.83 CNCC1=CC=C(OC)C=C1 M38582 [1,1,0,0,0,0|0,0,1]=3 506 B11R1.83 CNCC1=CC=C(OC)C=C1 M52172 [1,1,0,0,0,0|0,0,1]=3 507 B11R1.83 COC1=CC=C(C#CI)C=C1 M1885 [1,1,0,0,0,0|0,0,2]=4 508 B11R1.83 COC1=CC=C(CC#N)C=C1 M16235 [1,1,0,0,0,0|0,0,2]=4 509 B11R1.83 COC1=CC=C(CC=O)C=C1 M49894 [1,1,0,0,0,0|0,0,0]=2 510 B11R1.83 COC1=CC=C(CCO)C=C1 M67580 [1,1,0,0,0,0|0,0,1]=3 511 B11R1.83 COC1=CC=C(CC[Mg+])C=C1 M31722 [1,1,0,0,0,0|0,0,1]=3 512 B11R1.83 COC1=CC=C(CNN)C=C1 M0099 [1,1,0,0,0,0|1,0,1]=4 513 B11R1.83 COC1=CC=C(CNN)C=C1 M19471 [1,1,0,0,0,0|1,0,1]=4 514 B11R1.83 COC1=CC=C(CNN)C=C1 M23593 [1,1,0,0,0,0|1,0,1]=4 515 B11R1.83 COC1=CC=C(CON)C=C1 M10064 [1,1,0,0,0,0|0,0,2]=4 516 B11R1.83 COC1=CC=C(CON)C=C1 M38789 [1,1,0,0,0,0|0,0,2]=4 517 B11R1.83 COC1=CN=C(CCN)C=C1 M49539 [1,1,0,0,0,0|1,0,1]=4 518 B11R1.279 CC1=C(C=O)C=CC(C#N)=C1 F51162 [1,1,0,0,0,0|2,0,0]=4 519 B11R1.279 CCC1=CC(N)=C(OC)C=C1 E50338 [1,1,0,0,0,0|0,0,1]=3 520 B11R1.279 COC1=C(Br)C=C(C#N)C=C1 B48070 [1,1,0,0,0,0|1,0,1]=4 521 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 B2967 [1,1,0,0,0,0|0,0,0]=2 522 B11R1.279 COC1=C(Br)C=C(CO)C=C1 B49379 [1,1,0,0,0,0|0,0,2]=4 523 B11R1.279 COC1=C(C)C=C(C#N)C=C1 M63445 [1,1,0,0,0,0|1,0,1]=4 524 B11R1.279 COC1=C(C)C=C(C=O)C=C1 M49891 [1,1,0,0,0,0|0,0,0]=2 525 B11R1.279 COC1=C(Cl)C=C(C#N)C=C1 C48086 [1,1,0,0,0,0|1,0,1]=4 526 B11R1.279 COC1=C(Cl)C=C(C=O)C=C1 C67645 [1,1,0,0,0,0|0,0,0]=2 527 B11R1.279 COC1=C(Cl)C=C(C=O)C=N1 C37108 [1,1,0,0,0,0|1,0,0]=3 528 B11R1.279 COC1=C(Cl)C=C(CBr)C=C1 B49134 [1,1,0,0,0,0|1,0,1]=4 529 B11R1.279 COC1=C(Cl)C=C(CN)C=C1 C46806 [1,1,0,0,0,0|1,0,1]=4 530 B11R1.279 COC1=C(F)C=C(C#N)C=C1 F48101 [1,1,0,0,0,0|1,0,1]=4 531 B11R1.279 COC1=C(F)C=C(C=O)C=C1 F48620 [1,1,0,0,0,0|0,0,0]=2 532 B11R1.279 COC1=C(F)C=C(CBr)C=C1 B2649 [1,1,0,0,0,0|1,0,1]=4 533 B11R1.279 COC1=C(F)C=C(CN)C=C1 F46816 [1,1,0,0,0,0|1,0,1]=4 534 B11R1.279 COC1=C(I)C=C(C=O)C=C1 K48635 [1,1,0,0,0,0|0,0,0]=2 535 B11R1.279 COC1=C(N)C=C(C#N)C=C1 A9445 [1,1,0,0,0,0|1,0,1]=4 536 B11R1.279 COC1=C(N)C=C(C=O)C=C1 A49285 [1,1,0,0,0,0|0,0,0]=2 537 B11R1.279 COC1=C(N)C=C(CO)C=C1 A37036 [1,1,0,0,0,0|0,0,2]=4 538 B11R1.279 COC1=C(O)C=C(C#N)C=C1 H67534 [1,1,0,0,0,0|1,0,1]=4 539 B11R1.279 COC1=C(O)C=C(CO)C=C1 H39431 [1,1,0,0,0,0|0,0,2]=4 540 B11R1.279 COC1=CC(Br)=C(C#N)C=C1 B37120 [1,1,0,0,0,0|1,0,1]=4 541 B11R1.279 COC1=CC(Br)=C(C=O)C=C1 B48573 [1,1,0,0,0,0|0,0,0]=2 542 B11R1.279 COC1=CC(Br)=C(OC)C=C1 B39519 [1,1,0,0,0,0|1,0,0]=3 543 B11R1.279 COC1=CC(C)=C(C#N)C=C1 M51764 [1,1,0,0,0,0|1,0,1]=4 544 B11R1.279 COC1=CC(C)=C(C=O)C=C1 M49888 [1,1,0,0,0,0|0,0,0]=2 545 B11R1.279 COC1=CC(C)=C(C=O)C=N1 M49289 [1,1,0,0,0,0|1,0,0]=3 546 B11R1.279 COC1=CC(C)=C(OC)C=C1 D50280 [1,1,0,0,0,0|1,0,0]=3 547 B11R1.279 COC1=CC(Cl)=C(C#N)C=C1 C48085 [1,1,0,0,0,0|1,0,1]=4 548 B11R1.279 COC1=CC(Cl)=C(C=O)C=C1 C48595 [1,1,0,0,0,0|0,0,0]=2 549 B11R1.279 COC1=CC(F)=C(C#N)C=C1 F68008 [1,1,0,0,0,0|1,0,1]=4 550 B11R1.279 COC1=CC(F)=C(C=O)C=C1 F48617 [1,1,0,0,0,0|0,0,0]=2 551 B11R1.279 COC1=CC(F)=C(NN)C=C1 F46569 [1,1,0,0,0,0|2,0,0]=4 552 B11R1.279 COC1=CC(F)=C(OC)C=C1 F49392 [1,1,0,0,0,0|1,0,0]=3 553 B11R1.279 COC1=CC(N)=C(C#N)C=C1 A36670 [1,1,0,0,0,0|1,0,1]=4 554 B11R1.279 COC1=CC(N)=C(CO)C=C1 A46922 [1,1,0,0,0,0|0,0,2]=4 555 B11R1.279 COC1=CC(N)=C(OC)C=C1 D39435 [1,1,0,0,0,0|1,0,0]=3 556 B11R1.279 COC1=CC(O)=C(C#N)C=C1 H48461 [1,1,0,0,0,0|1,0,1]=4 557 B11R1.279 COC1=CC(O)=C(OC)C=C1 D46841 [1,1,0,0,0,0|1,0,0]=3 558 B11R1.279 COC1=CC(S)=C(OC)C=C1 D46838 [1,1,0,0,0,0|1,0,0]=3 559 B11R1.279 COC1=CC([Mg+])=C(OC)C=C1 D31788 [1,1,0,0,0,0|1,0,0]=3 560 B11R1.279 COC1=CC=C(C=O)C(Br)=N1 B45340 [1,1,0,0,0,0|1,0,0]=3 561 B11R1.279 COC1=CC=C(C=O)C(Cl)=N1 C45361 [1,1,0,0,0,0|1,0,0]=3 562 B11R1.279 N#CC1=C(F)C=C(C=O)C=C1 F47448 [1,1,0,0,0,0|2,0,0]=4 563 B11R1.279 N#CC1=CC(Br)=C(C=O)C=C1 B47434 [1,1,0,0,0,0|2,0,0]=4 564 B11R1.279 N#CC1=CC(Cl)=C(C=O)C=C1 C47441 [1,1,0,0,0,0|2,0,0]=4 565 B11R1.279 N#CC1=CC(F)=C(C=O)C=C1 F47449 [1,1,0,0,0,0|2,0,0]=4 566 B11R1.279 O=CC1=C(O)C=C(CO)C=C1 H64562 [1,1,0,0,0,0|2,0,0]=4 567 B11R1.19 CC1=CC=C(P(=O)(O)O)C=C1 T46447 [1,1,0,0,0,0|2,0,0]=4 568 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 A38483 [1,1,0,0,0,0|2,0,0]=4 569 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 A57393 [1,1,0,0,0,0|2,0,0]=4 570 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 D58072 [1,1,0,0,0,0|2,0,0]=4 571 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 E56561 [1,1,0,0,0,0|2,0,0]=4 572 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 E62577 [1,1,0,0,0,0|2,0,0]=4 573 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 F29658 [1,1,0,0,0,0|2,0,0]=4 574 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 H7302 [1,1,0,0,0,0|2,0,0]=4 575 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 M22571 [1,1,0,0,0,0|2,0,0]=4 576 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 M23344 [1,1,0,0,0,0|2,0,0]=4 577 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 M58073 [1,1,0,0,0,0|2,0,0]=4 578 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 M65363 [1,1,0,0,0,0|2,0,0]=4 579 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 M68821 [1,1,0,0,0,0|2,0,0]=4 580 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 O8459 [1,1,0,0,0,0|2,0,0]=4 581 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 P56560 [1,1,0,0,0,0|2,0,0]=4 582 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 T55432 [1,1,0,0,0,0|2,0,0]=4 583 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 T58548 [1,1,0,0,0,0|2,0,0]=4 584 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 B58549 [1,1,0,0,0,0|2,0,0]=4 585 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 E57398 [1,1,0,0,0,0|2,0,0]=4 586 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 S45942 [1,1,0,0,0,0|2,0,0]=4 587 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 T68240 [1,1,0,0,0,0|2,0,0]=4 588 B11R1.19 CC1=CC=C(S(N)(=O)=O)C=C1 T60719 [1,1,0,0,0,0|2,0,0]=4 589 B11R1.19 CP(C)(=O)C1=CC=C(Br)C=C1 B62353 [1,1,0,0,0,0|2,0,0]=4 590 B11R1.19 CP(C)(=O)C1=CC=C(N)C=C1 A49544 [1,1,0,0,0,0|2,0,0]=4 591 B11R1.19 CS(=O)(=O)C1=CC=C(Br)C=C1 B38495 [1,1,0,0,0,0|2,0,0]=4 592 B11R1.19 CS(=O)(=O)C1=CC=C(O)C=C1 M46269 [1,1,0,0,0,0|1,0,0]=3 593 B11R1.19 NS(=O)(=O)C1=CC=C(O)C=C1 H43166 [1,1,0,0,0,0|2,0,0]=4 594 B11R1.19 O=S(=O)(Cl)C1=CC=C(O)C=C1 H62772 [1,1,0,0,0,0|2,0,0]=4 595 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 B52032 [1,1,0,0,0,0|0,0,0]=2 596 B11R1.21 CC(=O)C1=CC(Br)=C(F)C=C1 B39475 [1,1,0,0,0,0|1,0,0]=3 597 B11R1.21 CC(=O)C1=CC(Br)=C(I)C=C1 B48269 [1,1,0,0,0,0|1,0,0]=3 598 B11R1.21 CC(=O)C1=CC(Br)=C(N)C=C1 A49026 [1,1,0,0,0,0|1,0,0]=3 599 B11R1.21 CC(=O)C1=CC(Br)=C(O)C=C1 B48581 [1,1,0,0,0,0|0,0,0]=2 600 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=C1 B52034 [1,1,0,0,0,0|1,0,0]=3 601 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=N1 B63831 [1,1,0,0,0,0|2,0,0]=4 602 B11R1.21 CC(=O)C1=CC(C)=C(Cl)C=C1 C52042 [1,1,0,0,0,0|1,0,0]=3 603 B11R1.21 CC(=O)C1=CC(C)=C(F)C=C1 F28728 [1,1,0,0,0,0|1,0,0]=3 604 B11R1.21 CC(=O)C1=CC(Cl)=C(Br)C=C1 B48245 [1,1,0,0,0,0|1,0,0]=3 605 B11R1.21 CC(=O)C1=CC(Cl)=C(C)C=C1 C61119 [1,1,0,0,0,0|0,0,0]=2 606 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 D39476 [1,1,0,0,0,0|1,0,0]=3 607 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 C48274 [1,1,0,0,0,0|1,0,0]=3 608 B11R1.21 CC(=O)C1=CC(F)=C(Br)C=C1 B48250 [1,1,0,0,0,0|1,0,0]=3 609 B11R1.21 CC(=O)C1=CC(F)=C(Cl)C=C1 C69014 [1,1,0,0,0,0|1,0,0]=3 610 B11R1.21 CC(=O)C1=CC(F)=C(F)C=C1 D39477 [1,1,0,0,0,0|1,0,0]=3 611 B11R1.21 CC(=O)C1=CC(F)=C(N)C=C1 A49052 [1,1,0,0,0,0|1,0,0]=3 612 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 F48621 [1,1,0,0,0,0|0,0,0]=2 613 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 A50026 [1,1,0,0,0,0|0,0,0]=2 614 B11R1.21 CC(=O)C1=CC(N)=C(Cl)C=C1 A49040 [1,1,0,0,0,0|1,0,0]=3 615 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 D68113 [1,1,0,0,0,0|0,0,0]=2 616 B11R1.21 CC(=O)C1=CN=C(Cl)C(C)=C1 C49042 [1,1,0,0,0,0|2,0,0]=4 617 B11R1.21 CC(=O)C1=CN=C(Cl)C(Cl)=C1 D37474 [1,1,0,0,0,0|2,0,0]=4 618 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 B48570 [1,1,0,0,0,0|1,0,0]=3 619 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=N1 B64856 [1,1,0,0,0,0|2,0,0]=4 620 B11R1.21 CC1=C(Br)C=C(C(=O)O)N=C1 B32388 [1,1,0,0,0,0|2,0,0]=4 621 B11R1.21 CC1=C(Br)C=C([N+](=O)[O-])C=C1 B68178 [1,1,0,0,0,0|2,0,0]=4 622 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 B38437 [1,1,0,0,0,0|2,0,0]=4 623 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 D69089 [1,1,0,0,0,0|1,0,0]=3 624 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 D49279 [1,1,0,0,0,0|2,0,0]=4 625 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 C48593 [1,1,0,0,0,0|1,0,0]=3 626 B11R1.21 CC1=C(Cl)C=C(C(=O)O)N=C1 C26055 [1,1,0,0,0,0|2,0,0]=4 627 B11R1.21 CC1=C(Cl)C=C([C@@H](C)N)C=C1 C61118 [1,1,0,0,0,0|1,0,1]=4 628 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 C50241 [1,1,0,0,0,0|1,0,1]=4 629 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 C61334 [1,1,0,0,0,0|1,0,1]=4 630 B11R1.21 CC1=C(Cl)C=CC(C(=O)O)=C1 C39491 [1,1,0,0,0,0|2,0,0]=4 631 B11R1.21 CC1=C(F)C=C(C(=N)N)C=C1 F49622 [1,1,0,0,0,0|2,0,0]=4 632 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 F48613 [1,1,0,0,0,0|1,0,0]=3 633 B11R1.21 CC1=C(F)C=C(C(=O)O)C=N1 F61560 [1,1,0,0,0,0|2,0,0]=4 634 B11R1.21 CC1=C(F)C=C(C(=O)O)N=C1 F62992 [1,1,0,0,0,0|2,0,0]=4 635 B11R1.21 CC1=C(F)C=C([C@H](C)N)C=C1 F63759 [1,1,0,0,0,0|1,0,1]=4 636 B11R1.21 CC1=C(F)C=C([N+](=O)[O-])C=C1 F45372 [1,1,0,0,0,0|2,0,0]=4 637 B11R1.21 CC1=C(F)C=CC(C(=O)O)=C1 F39495 [1,1,0,0,0,0|2,0,0]=4 638 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 K25553 [1,1,0,0,0,0|1,0,0]=3 639 B11R1.21 CC1=C(I)C=C([N+](=O)[O-])C=C1 K45401 [1,1,0,0,0,0|2,0,0]=4 640 B11R1.21 CC1=C(I)C=CC(C(=O)O)=C1 K63515 [1,1,0,0,0,0|2,0,0]=4 641 B11R1.21 CC1=C(N)C=C([C@H](C)N)C=C1 A52256 [1,1,0,0,0,0|1,0,1]=4 642 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 A39517 [1,1,0,0,0,0|2,0,0]=4 643 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 H49095 [1,1,0,0,0,0|1,0,0]=3 644 B11R1.21 CC1=C(O)C=C([N+](=O)[O-])C=C1 M39397 [1,1,0,0,0,0|2,0,0]=4 645 B11R1.21 CC1=C(O)C=CC(C(=O)O)=C1 H49097 [1,1,0,0,0,0|1,0,0]=3 646 B11R1.21 CC1=C(O)C=CC([N+](=O)[O-])=C1 M45830 [1,1,0,0,0,0|2,0,0]=4 647 B11R1.21 CC1=CC=C(C(=O)O)N=C1Br B37453 [1,1,0,0,0,0|2,0,0]=4 648 B11R1.21 CC1=CC=C(C(=O)O)N=C1Cl C32429 [1,1,0,0,0,0|2,0,0]=4 649 B11R1.21 CC1=NC=C(C(=O)O)C=C1N A8134 [1,1,0,0,0,0|2,0,0]=4 650 B11R1.21 CN1C=CC(C(=O)O)=CC1=O M0305 [1,1,0,0,0,0|2,0,0]=4 651 B11R1.21 CN1C=CC(C(N)=O)=CC1=O M24703 [1,1,0,0,0,0|2,0,0]=4 652 B11R1.21 NC(=O)C1=CC(Br)=C(F)C=C1 B45032 [1,1,0,0,0,0|2,0,0]=4 653 B11R1.21 NC(=O)C1=CC(F)=C(F)C=C1 D62335 [1,1,0,0,0,0|2,0,0]=4 654 B11R1.21 NC(=O)C1=CC(O)=C(N)C=C1 A45997 [1,1,0,0,0,0|2,0,0]=4 655 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=C1 A45330 [1,1,0,0,0,0|2,0,0]=4 656 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=C1 A45328 [1,1,0,0,0,0|2,0,0]=4 657 B11R1.21 NC1=C(Cl)C=C(C(=O)O)C=C1 A69418 [1,1,0,0,0,0|2,0,0]=4 658 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 A69510 [1,1,0,0,0,0|2,0,0]=4 659 B11R1.21 NC1=C(F)C=C(C(=O)O)C=C1 A45379 [1,1,0,0,0,0|2,0,0]=4 660 B11R1.21 NC1=C(F)C=CC(C(=O)O)=C1 A45377 [1,1,0,0,0,0|2,0,0]=4 661 B11R1.21 NC1=C(I)C=C(C(=O)O)C=C1 A45396 [1,1,0,0,0,0|2,0,0]=4 662 B11R1.21 NC1=C(I)C=CC(C(=O)O)=C1 A45395 [1,1,0,0,0,0|2,0,0]=4 663 B11R1.21 NC1=C(O)C=C(C(=O)O)C=C1 A67467 [1,1,0,0,0,0|2,0,0]=4 664 B11R1.21 O=C(O)C1=CC(=O)C(O)=CN1 H38960 [1,1,0,0,0,0|2,0,0]=4 665 B11R1.21 O=C(O)C1=CC(Br)=C(Br)C=C1 D36700 [1,1,0,0,0,0|2,0,0]=4 666 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)C=C1 B44568 [1,1,0,0,0,0|2,0,0]=4 667 B11R1.21 O=C(O)C1=CC(Br)=C(F)C=C1 B39336 [1,1,0,0,0,0|2,0,0]=4 668 B11R1.21 O=C(O)C1=CC(Br)=C(I)C=C1 B44584 [1,1,0,0,0,0|2,0,0]=4 669 B11R1.21 O=C(O)C1=CC(Br)=C(O)N=C1 B3783 [1,1,0,0,0,0|2,0,0]=4 670 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=C1 B44571 [1,1,0,0,0,0|2,0,0]=4 671 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=C1 C44591 [1,1,0,0,0,0|2,0,0]=4 672 B11R1.21 O=C(O)C1=CC(Cl)=C(I)C=C1 C38946 [1,1,0,0,0,0|2,0,0]=4 673 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=C1 C62141 [1,1,0,0,0,0|1,0,0]=3 674 B11R1.21 O=C(O)C1=CC(F)=C(Br)C=C1 B44576 [1,1,0,0,0,0|2,0,0]=4 675 B11R1.21 O=C(O)C1=CC(F)=C(Cl)C=C1 C37845 [1,1,0,0,0,0|2,0,0]=4 676 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 D68133 [1,1,0,0,0,0|2,0,0]=4 677 B11R1.21 O=C(O)C1=CC(F)=C(I)C=C1 F36867 [1,1,0,0,0,0|2,0,0]=4 678 B11R1.21 O=C(O)C1=CC(F)=C(O)C=C1 F68105 [1,1,0,0,0,0|1,0,0]=3 679 B11R1.21 O=C(O)C1=CC(I)=C(Br)C=C1 B67829 [1,1,0,0,0,0|2,0,0]=4 680 B11R1.21 O=C(O)C1=CC(I)=C(Cl)C=C1 C44602 [1,1,0,0,0,0|2,0,0]=4 681 B11R1.21 O=C(O)C1=CC(I)=C(F)C=C1 F44617 [1,1,0,0,0,0|2,0,0]=4 682 B11R1.21 O=C(O)C1=CC(O)=C(Br)C=C1 B45113 [1,1,0,0,0,0|2,0,0]=4 683 B11R1.21 O=C(O)C1=CC(O)=C(Cl)C=C1 C38513 [1,1,0,0,0,0|2,0,0]=4 684 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 F24023 [1,1,0,0,0,0|2,0,0]=4 685 B11R1.21 O=C(O)C1=CC(O)=C(I)C=C1 H45126 [1,1,0,0,0,0|2,0,0]=4 686 B11R1.21 O=[N+]([O-])C1=CC(Br)=C(O)C=C1 B42260 [1,1,0,0,0,0|2,0,0]=4 687 B11R1.21 O=[N+]([O-])C1=CC(F)=C(O)C=C1 F67644 [1,1,0,0,0,0|2,0,0]=4 688 B11R1.21 O=[N+]([O-])C1=CC(O)=C(O)C=C1 N61905 [1,1,0,0,0,0|2,0,0]=4 689 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 X51560 [1,1,0,0,0,0|0,0,1]=3 690 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 B52024 [1,1,0,0,0,0|0,0,0]=2 691 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 A52107 [1,1,0,0,0,0|0,0,0]=2 692 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 T46647 [1,1,0,0,0,0|1,0,0]=3 693 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 A52174 [1,1,0,0,0,0|1,0,1]=4 694 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 B16168 [1,1,0,0,0,0|1,0,0]=3 695 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 F39582 [1,1,0,0,0,0|1,0,0]=3 696 B11R1.22 CCC(=O)C1=CC=C(I)C=C1 K52052 [1,1,0,0,0,0|1,0,0]=3 697 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 T54185 [1,1,0,0,0,0|1,0,1]=4 698 B11R1.22 CNC(=O)C1=CC=C(Br)C=C1 B49023 [1,1,0,0,0,0|1,0,0]=3 699 B11R1.22 CNC(=O)C1=CC=C(I)C=C1 K63815 [1,1,0,0,0,0|1,0,0]=3 700 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 A69158 [1,1,0,0,0,0|1,0,0]=3 701 B11R1.22 CNC(=O)C1=CN=C(Cl)C=C1 C45698 [1,1,0,0,0,0|2,0,0]=4 702 B11R1.22 CNC(=O)C1=NC=C(Br)C=C1 B60995 [1,1,0,0,0,0|2,0,0]=4 703 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 M39489 [1,1,0,0,0,0|1,0,0]=3 704 B11R1.22 COC(=O)C1=CC=C(C)C=C1 M60598 [1,1,0,0,0,0|0,0,0]=2 705 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 M64818 [1,1,0,0,0,0|1,0,0]=3 706 B11R1.22 COC(=O)C1=CC=C(F)C=C1 M67923 [1,1,0,0,0,0|1,0,0]=3 707 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 M0015 [1,1,0,0,0,0|2,0,0]=4 708 B11R1.22 COC(=O)C1=CN=C(C)C=C1 M13760 [1,1,0,0,0,0|1,0,0]=3 709 B11R1.22 COC(=O)C1=CN=C(C)N=C1 M12380 [1,1,0,0,0,0|2,0,0]=4 710 B11R1.22 COC(=O)C1=CN=C(Cl)C=C1 M39382 [1,1,0,0,0,0|2,0,0]=4 711 B11R1.22 COC(=O)C1=CN=C(F)C=C1 M4740 [1,1,0,0,0,0|2,0,0]=4 712 B11R1.22 COC(=O)C1=CNC(=O)C=C1 M7692 [1,1,0,0,0,0|1,0,1]=4 713 B11R1.22 COC(=O)C1=COC(=O)C=C1 M38530 [1,1,0,0,0,0|1,0,1]=4 714 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 M10296 [1,1,0,0,0,0|2,0,0]=4 715 B11R1.22 COC(=O)C1=NC=C(C)C=C1 M22900 [1,1,0,0,0,0|1,0,0]=3 716 B11R1.22 COC(=O)C1=NC=C(C)C=N1 M10612 [1,1,0,0,0,0|2,0,0]=4 717 B11R1.22 COC(=O)C1=NC=C(C)N=C1 M46011 [1,1,0,0,0,0|2,0,0]=4 718 B11R1.22 COC(=O)C1=NC=C(Cl)C=C1 M45366 [1,1,0,0,0,0|2,0,0]=4 719 B11R1.22 COC(=O)C1=NC=C(F)C=C1 M16415 [1,1,0,0,0,0|2,0,0]=4 720 B11R1.22 COC(=O)C1=NC=C(I)C=C1 M45392 [1,1,0,0,0,0|2,0,0]=4 721 B11R1.22 COC(=O)C1=NC=C(N)C=C1 M0251 [1,1,0,0,0,0|2,0,0]=4 722 B11R1.22 COC(=O)C1=NC=C(O)C=C1 M7706 [1,1,0,0,0,0|1,0,0]=3 723 B11R1.22 COC(=O)C1=NC=C(O)C=N1 M19514 [1,1,0,0,0,0|2,0,0]=4 724 B11R1.22 COC(=O)C1=NC=C(O)N=C1 M12387 [1,1,0,0,0,0|2,0,0]=4 725 B11R1.22 COC(=O)C1=NN=C(O)C=C1 M0452 [1,1,0,0,0,0|2,0,0]=4 726 B11R1.22 C[C@@H](CN)C1=CC=C(O)C=C1 A28643 [1,1,0,0,0,0|1,0,1]=4 727 B11R1.22 C\C(=N\O)C1=CC=C(Cl)C=C1 C67180 [1,1,0,0,0,0|1,0,1]=4 728 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 B49032 [1,1,0,0,0,0|1,0,0]=3 729 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 A49045 [1,1,0,0,0,0|1,0,0]=3 730 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 A49617 [1,1,0,0,0,0|1,0,0]=3 731 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 C45695 [1,1,0,0,0,0|2,0,0]=4 732 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 F45705 [1,1,0,0,0,0|2,0,0]=4 733 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 A49527 [1,1,0,0,0,0|1,0,1]=4 734 B11R1.22 N[C@H](CO)C1=CC=C(O)C=C1 A49528 [1,1,0,0,0,0|1,0,1]=4 735 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 B48246 [1,1,0,0,0,0|1,0,0]=3 736 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 C69024 [1,1,0,0,0,0|0,0,0]=2 737 B11R1.22 O=C(CCl)C1=CN=C(Cl)C=C1 C45047 [1,1,0,0,0,0|2,0,0]=4 738 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 B47769 [1,1,0,0,0,0|1,0,1]=4 739 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 C47781 [1,1,0,0,0,0|1,0,1]=4 740 B11R1.166 CC(=O)C1=C(Br)C=C(Cl)C=C1 B48242 [1,1,0,0,0,0|1,0,0]=3 741 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 B48579 [1,1,0,0,0,0|0,0,0]=2 742 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 D68875 [1,1,0,0,0,0|0,0,0]=2 743 B11R1.166 CC(=O)C1=C(C)C=C(O)C=C1 H49903 [1,1,0,0,0,0|0,0,0]=2 744 B11R1.166 CC(=O)C1=C(Cl)C=C(Br)C=C1 B48244 [1,1,0,0,0,0|1,0,0]=3 745 B11R1.166 CC(=O)C1=C(Cl)C=C(F)C=C1 C48277 [1,1,0,0,0,0|1,0,0]=3 746 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 B8298 [1,1,0,0,0,0|1,0,0]=3 747 B11R1.166 CC(=O)C1=C(F)C=C(Cl)C=C1 C48275 [1,1,0,0,0,0|1,0,0]=3 748 B11R1.166 CC(=O)C1=C(F)C=C(F)C=C1 D69359 [1,1,0,0,0,0|1,0,0]=3 749 B11R1.166 CC(=O)C1=C(F)C=C(F)C=N1 D67335 [1,1,0,0,0,0|2,0,0]=4 750 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 F48622 [1,1,0,0,0,0|0,0,0]=2 751 B11R1.166 CC(=O)C1=C(N)C=C(Br)C=C1 A49024 [1,1,0,0,0,0|1,0,0]=3 752 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 A50025 [1,1,0,0,0,0|0,0,0]=2 753 B11R1.166 CC(=O)C1=C(N)C=C(Cl)C=C1 A49037 [1,1,0,0,0,0|1,0,0]=3 754 B11R1.166 CC(=O)C1=C(O)C=C(Br)C=C1 B9402 [1,1,0,0,0,0|1,0,0]=3 755 B11R1.166 CC(=O)C1=C(O)C=C(Cl)C=C1 C61332 [1,1,0,0,0,0|1,0,0]=3 756 B11R1.166 CC(=O)C1=C(O)C=C(F)C=C1 F69072 [1,1,0,0,0,0|1,0,0]=3 757 B11R1.166 CC(=O)C1=C(O)C=C(N)C=C1 A49290 [1,1,0,0,0,0|1,0,0]=3 758 B11R1.166 CC(=O)C1=CC=C(Cl)N=C1Cl A9870 [1,1,0,0,0,0|2,0,0]=4 759 B11R1.166 CC(=O)C1=CN=C(Cl)C=C1Cl D63902 [1,1,0,0,0,0|2,0,0]=4 760 B11R1.166 CC(=O)C1=NC=C(Br)C=C1C B37444 [1,1,0,0,0,0|2,0,0]=4 761 B11R1.166 CC(C)C1=C(O)C=C(O)C=C1 I38010 [1,1,0,0,0,0|1,0,1]=4 762 B11R1.166 CC1=C(C(=O)O)C=CC(Br)=C1 B24914 [1,1,0,0,0,0|2,0,0]=4 763 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 C38469 [1,1,0,0,0,0|2,0,0]=4 764 B11R1.166 CC1=C(C(=O)O)C=CC(F)=C1 F48615 [1,1,0,0,0,0|2,0,0]=4 765 B11R1.166 CC1=C(C(=O)O)C=CC(N)=C1 A49284 [1,1,0,0,0,0|2,0,0]=4 766 B11R1.166 CC1=C(C(=O)O)C=CC(O)=C1 H68873 [1,1,0,0,0,0|1,0,0]=3 767 B11R1.166 CC1=CC(Br)=C(C(=O)O)C=C1 B25317 [1,1,0,0,0,0|1,0,0]=3 768 B11R1.166 CC1=CC(Br)=C(C(=O)O)N=C1 B45334 [1,1,0,0,0,0|2,0,0]=4 769 B11R1.166 CC1=CC(Br)=C(N(C)C)C=C1 B50229 [1,1,0,0,0,0|2,0,0]=4 770 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 D49278 [1,1,0,0,0,0|2,0,0]=4 771 B11R1.166 CC1=CC(C)=C([C@H](C)N)C=C1 D54187 [1,1,0,0,0,0|1,0,1]=4 772 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=C1 C38447 [1,1,0,0,0,0|1,0,0]=3 773 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=N1 C12703 [1,1,0,0,0,0|2,0,0]=4 774 B11R1.166 CC1=CC(Cl)=C([N+](=O)[O-])C=C1 C45360 [1,1,0,0,0,0|2,0,0]=4 775 B11R1.166 CC1=CC(F)=C(C(=O)O)C=C1 F48610 [1,1,0,0,0,0|1,0,0]=3 776 B11R1.166 CC1=CC(F)=C(C(=O)O)N=C1 F11219 [1,1,0,0,0,0|2,0,0]=4 777 B11R1.166 CC1=CC(F)=C([N+](=O)[O-])C=C1 M64928 [1,1,0,0,0,0|2,0,0]=4 778 B11R1.166 CC1=CC(I)=C(C(=O)O)C=C1 K61454 [1,1,0,0,0,0|1,0,0]=3 779 B11R1.166 CC1=CC(N)=C(C(=O)O)C=C1 A49282 [1,1,0,0,0,0|1,0,0]=3 780 B11R1.166 CC1=CC(N)=C(C(=O)O)C=N1 A12850 [1,1,0,0,0,0|2,0,0]=4 781 B11R1.166 CC1=CC(N)=C(C(N)=O)C=C1 A46651 [1,1,0,0,0,0|1,0,0]=3 782 B11R1.166 CC1=CC(N)=C([N+](=O)[O-])C=C1 M36624 [1,1,0,0,0,0|2,0,0]=4 783 B11R1.166 CC1=CC(O)=C(C(=O)O)C=C1 M68144 [1,1,0,0,0,0|1,0,0]=3 784 B11R1.166 CC1=CC(O)=C(C(=O)O)C=N1 H39399 [1,1,0,0,0,0|2,0,0]=4 785 B11R1.166 CC1=CC(O)=C([N+](=O)[O-])C=C1 M39398 [1,1,0,0,0,0|2,0,0]=4 786 B11R1.166 CC1=CC=C(C(=O)O)C(Cl)=N1 C10451 [1,1,0,0,0,0|2,0,0]=4 787 B11R1.166 CC1=NC(C)=C(C(=O)O)C=C1 D61273 [1,1,0,0,0,0|2,0,0]=4 788 B11R1.166 CC1=NC(N)=C(C(=O)O)C=C1 A10622 [1,1,0,0,0,0|2,0,0]=4 789 B11R1.166 CC1=NC(O)=C(C(=O)O)C=C1 H45847 [1,1,0,0,0,0|2,0,0]=4 790 B11R1.166 NC(=O)C1=C(Br)C=C(I)C=C1 B45043 [1,1,0,0,0,0|2,0,0]=4 791 B11R1.166 NC(=O)C1=C(Cl)C=C(O)C=C1 C45352 [1,1,0,0,0,0|1,0,0]=3 792 B11R1.166 NC(=O)C1=C(F)C=C(F)C=C1 D45062 [1,1,0,0,0,0|2,0,0]=4 793 B11R1.166 NC(=O)C1=C(N)C=C(Br)C=C1 A45686 [1,1,0,0,0,0|2,0,0]=4 794 B11R1.166 NC(=O)C1=C(N)C=C(Cl)C=C1 A67559 [1,1,0,0,0,0|2,0,0]=4 795 B11R1.166 NC(=O)C1=C(N)C=C(F)C=C1 A45706 [1,1,0,0,0,0|2,0,0]=4 796 B11R1.166 NC(=O)C1=C(N)C=C(O)C=C1 A45995 [1,1,0,0,0,0|1,0,0]=3 797 B11R1.166 NC(=O)C1=C(O)C=C(N)C=C1 A45996 [1,1,0,0,0,0|2,0,0]=4 798 B11R1.166 NC1=C(C(=O)O)C=CC(Br)=C1 A22277 [1,1,0,0,0,0|2,0,0]=4 799 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=C1 A64964 [1,1,0,0,0,0|2,0,0]=4 800 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 A39388 [1,1,0,0,0,0|2,0,0]=4 801 B11R1.166 NC1=C(C(=O)O)C=CC(I)=C1 A45394 [1,1,0,0,0,0|2,0,0]=4 802 B11R1.166 NC1=C(C(=O)O)C=CC(O)=C1 A45838 [1,1,0,0,0,0|1,0,0]=3 803 B11R1.166 NC1=C([N+](=O)[O-])C=CC(O)=C1 A60820 [1,1,0,0,0,0|2,0,0]=4 804 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 A69021 [1,1,0,0,0,0|2,0,0]=4 805 B11R1.166 NC1=CC(F)=C(C(=O)O)C=C1 A45378 [1,1,0,0,0,0|2,0,0]=4 806 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 A69652 [1,1,0,0,0,0|2,0,0]=4 807 B11R1.166 O=C(Cl)C1=C(F)C=C(F)C=C1 D44260 [1,1,0,0,0,0|2,0,0]=4 808 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=C1 D44562 [1,1,0,0,0,0|2,0,0]=4 809 B11R1.166 O=C(O)C1=C(Br)C=C(Cl)C=C1 B26650 [1,1,0,0,0,0|2,0,0]=4 810 B11R1.166 O=C(O)C1=C(Br)C=C(F)C=C1 B27964 [1,1,0,0,0,0|2,0,0]=4 811 B11R1.166 O=C(O)C1=C(Br)C=C(I)C=C1 B44582 [1,1,0,0,0,0|2,0,0]=4 812 B11R1.166 O=C(O)C1=C(Br)C=C(O)C=C1 B45109 [1,1,0,0,0,0|1,0,0]=3 813 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 B44570 [1,1,0,0,0,0|2,0,0]=4 814 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 D68555 [1,1,0,0,0,0|2,0,0]=4 815 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=C1 C45116 [1,1,0,0,0,0|1,0,0]=3 816 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=C1 C45121 [1,1,0,0,0,0|1,0,0]=3 817 B11R1.166 O=C(O)C1=C(Cl)C=C(O)N=C1 C42274 [1,1,0,0,0,0|2,0,0]=4 818 B11R1.166 O=C(O)C1=C(F)C=C(Br)C=C1 B36989 [1,1,0,0,0,0|2,0,0]=4 819 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=C1 C23721 [1,1,0,0,0,0|2,0,0]=4 820 B11R1.166 O=C(O)C1=C(F)C=C(F)C=C1 D39341 [1,1,0,0,0,0|2,0,0]=4 821 B11R1.166 O=C(O)C1=C(F)C=C(I)C=C1 F44613 [1,1,0,0,0,0|2,0,0]=4 822 B11R1.166 O=C(O)C1=C(F)C=C(O)C=C1 F38868 [1,1,0,0,0,0|1,0,0]=3 823 B11R1.166 O=C(O)C1=C(I)C=C(Br)C=C1 B37202 [1,1,0,0,0,0|2,0,0]=4 824 B11R1.166 O=C(O)C1=C(I)C=C(Cl)C=C1 C44601 [1,1,0,0,0,0|2,0,0]=4 825 B11R1.166 O=C(O)C1=C(I)C=C(F)C=C1 F44616 [1,1,0,0,0,0|2,0,0]=4 826 B11R1.166 O=C(O)C1=C(O)C=C(Br)C=C1 B45112 [1,1,0,0,0,0|2,0,0]=4 827 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 F45124 [1,1,0,0,0,0|2,0,0]=4 828 B11R1.166 O=C(O)C1=CC=C(O)N=C1Cl C23393 [1,1,0,0,0,0|2,0,0]=4 829 B11R1.166 O=[N+]([O-])C1=C(Br)C=C(O)C=C1 B42262 [1,1,0,0,0,0|2,0,0]=4 830 B11R1.166 O=[N+]([O-])C1=C(Cl)C=C(O)C=C1 C42269 [1,1,0,0,0,0|2,0,0]=4 831 B11R1.166 O=[N+]([O-])C1=C(F)C=C(O)C=C1 F67845 [1,1,0,0,0,0|2,0,0]=4 832 B11R1.166 O=[N+]([O-])C1=C(I)C=C(O)C=C1 K42284 [1,1,0,0,0,0|2,0,0]=4 833 B11R1.166 O=[N+]([O-])C1=C(O)C=C(O)C=C1 N42613 [1,1,0,0,0,0|2,0,0]=4 834 B11R1.124 COCC1=CNC(C(=O)O)=C1 M46434 [0,1,0,0,1,0|2,0,0]=4 835 B13R1.4 COC1=CC=C(CS(=O)(=O)Cl)C=C1 M49413 [0,1,0,0,0,1|2,0,0]=4 836 B13R1.5 COC(=O)CC1=CC=C(C#N)C=C1 M53925 [0,1,0,0,0,1|2,0,0]=4 837 B13R1.5 COC(=O)CC1=CC=C(C=O)C=C1 M52460 [0,1,0,0,0,1|2,0,0]=4 838 B13R1.5 COC(=O)CC1=CC=C(CBr)C=C1 M25149 [0,1,0,0,0,1|2,0,0]=4 839 B13R1.5 COC1=CC=C(C[C@H](N)CO)C=C1 A53153 [0,1,0,0,0,1|1,0,1]=4 840 B13R1.35 COC1=C(C)C=C(CC(C)=O)C=C1 M54771 [0,1,0,0,0,1|0,0,0]=2 841 B13R1.35 COC1=C(F)C=C(CC(=O)O)C=C1 F51996 [0,1,0,0,0,1|1,0,0]=3 842 B13R1.35 COC1=C(O)C=C(CC(=O)O)C=C1 H67465 [0,1,0,0,0,1|1,0,0]=3 843 B13R1.36 COC1=CC=C(C(=O)C(C)=O)C=C1 M52461 [0,1,0,0,0,1|0,0,0]=2 844 B13R1.36 COC1=CC=C([C@@H](N)C(=O)O)C=C1 A1587 [0,1,0,0,0,1|1,0,0]=3 845 B13R1.36 COC1=CC=C([C@@H](N)C(=O)O)C=C1 A18835 [0,1,0,0,0,1|1,0,0]=3 846 B13R1.36 COC1=CC=C([C@@H](O)C(=O)O)C=C1 H49948 [0,1,0,0,0,1|1,0,0]=3 847 B13R1.36 COC1=CC=C([C@@H](O)C(=O)O)C=C1 M68960 [0,1,0,0,0,1|1,0,0]=3 848 B13R1.36 COC1=CC=C([C@@H](O)C(C)C)C=C1 M54959 [0,1,0,0,0,1|1,0,1]=4 849 B13R1.36 COC1=CC=C([C@H](O)C(=O)O)C=C1 H49949 [0,1,0,0,0,1|1,0,0]=3 850 B13R1.142 CCCC1=CC=C(CC(=O)O)C=C1 P54770 [0,1,0,0,0,1|2,0,0]=4 851 B13R1.142 CCOC1=CC=C(NC(N)=S)C=C1 E50202 [0,1,0,0,0,1|1,1,0]=4 852 B13R1.585 CC(=O)NC1=CC=C(B(O)O)C=C1 A1056 [0,1,0,0,0,1|2,0,0]=4 853 B13R1.585 CC(C)C1=CC=C(CC(=O)O)C=C1 P54772 [0,1,0,0,0,1|2,0,0]=4 854 B13R1.653 COC1=CC(Br)=C(CC(=O)O)C=C1 B68273 [0,1,0,0,0,1|1,0,0]=3 855 B13R1.653 COC1=CC(F)=C(CC(=O)O)C=C1 F36927 [0,1,0,0,0,1|1,0,0]=3 856 B13R1.653 COC1=CC(N)=C(NC(C)=O)C=C1 A50183 [0,1,0,0,0,1|0,0,0]=2 857 B13R1.95 COC(=O)C1=C(Br)C=C(CBr)C=C1 M37016 [0,2,0,0,0,0|2,0,0]=4 858 B13R1.95 COC(=O)C1=C(Br)C=C(OC)C=C1 M51969 [0,2,0,0,0,0|0,0,0]=2 859 B13R1.95 COC(=O)C1=C(C)C=C(C#N)C=C1 M53935 [0,2,0,0,0,0|2,0,0]=4 860 B13R1.95 COC(=O)C1=C(C)C=C(OC)C=C1 M52833 [0,2,0,0,0,0|0,0,0]=2 861 B13R1.95 COC(=O)C1=C(Cl)C=C(OC)N=C1 M63832 [0,2,0,0,0,0|1,0,0]=3 862 B13R1.95 COC(=O)C1=C(F)C=C(C#N)C=C1 M50884 [0,2,0,0,0,0|2,0,0]=4 863 B13R1.95 COC(=O)C1=C(F)C=C(C=O)C=C1 M51285 [0,2,0,0,0,0|2,0,0]=4 864 B13R1.95 COC(=O)C1=C(F)C=C(CBr)C=C1 M51581 [0,2,0,0,0,0|2,0,0]=4 865 B13R1.95 COC(=O)C1=C(N)C=C(C#N)C=C1 M51379 [0,2,0,0,0,0|2,0,0]=4 866 B13R1.95 COC(=O)C1=C(N)C=C(OC)C=C1 M50093 [0,2,0,0,0,0|0,0,0]=2 867 B13R1.95 COC(=O)C1=C(O)C=C(C=O)C=C1 M51642 [0,2,0,0,0,0|2,0,0]=4 868 B13R1.95 COC(=O)C1=C(O)C=C(OC)C=C1 M49942 [0,2,0,0,0,0|0,0,0]=2 869 B13R1.95 COC(=O)C1=CC=C(OC)N=C1Cl M38672 [0,2,0,0,0,0|1,0,0]=3 870 B13R1.95 COC1=CC(O)=C(C(=O)NN)C=C1 H63570 [0,2,0,0,0,0|1,0,0]=3 871 B13R1.139 COC(=O)C1=CC=C(CC#N)C=C1 M53930 [0,2,0,0,0,0|1,0,1]=4 872 B13R1.139 COC(=O)C1=CC=C(CCBr)C=C1 M52620 [0,2,0,0,0,0|1,0,0]=3 873 B13R1.452 C#CC1=CC=C(C(=O)OCC)C=C1 E54339 [0,2,0,0,0,0|1,0,1]=4 874 B13R1.452 CCOC(=O)C1=CC=C(C#N)C=C1 E53920 [0,2,0,0,0,0|2,0,0]=4 875 B13R1.452 CCOC(=O)C1=CC=C(C=O)C=C1 E52452 [0,2,0,0,0,0|2,0,0]=4 876 B13R1.452 CCOC(=O)C1=CC=C(CN)C=C1 E23314 [0,2,0,0,0,0|2,0,0]=4 877 B13R1.452 CCOC(=O)C1=CC=C(CN)C=C1 E67417 [0,2,0,0,0,0|2,0,0]=4 878 B13R1.452 CCOC(=O)C1=CC=C(NN)C=C1 E50178 [0,2,0,0,0,0|2,0,0]=4 879 B13R1.452 CCOC(=O)C1=CC=C(NN)C=C1 E52133 [0,2,0,0,0,0|2,0,0]=4 880 B13R1.452 CCOC(=O)C1=CC=C(OC)C=C1 E39608 [0,2,0,0,0,0|0,0,0]=2 881 B13R1.452 COC1=CC=C(C(=O)CCCl)C=C1 C52638 [0,2,0,0,0,0|0,0,0]=2 882 B13R1.537 CN(C)C1=CC=C(C(=O)CBr)C=C1 B52773 [0,2,0,0,0,0|1,0,0]=3 883 B13R1.537 CNC(=O)C1=CC=C(B(O)O)C=C1 M4328 [0,2,0,0,0,0|2,0,0]=4 884 B13R1.537 COC(=O)C1=CC=C(B(O)O)C=C1 M4080 [0,2,0,0,0,0|2,0,0]=4 885 B13R1.537 COC(=O)C1=CC=C(C(=N)N)C=C1 M55433 [0,2,0,0,0,0|2,0,0]=4 886 B13R1.537 COC(=O)C1=CC=C(C(=O)Cl)C=C1 M51284 [0,2,0,0,0,0|1,0,0]=3 887 B13R1.537 COC(=O)C1=CC=C(C(C)=O)C=C1 M52454 [0,2,0,0,0,0|0,0,0]=2 888 B13R1.537 COC(=O)C1=CC=C([C@@H](C)N)C=C1 M64160 [0,2,0,0,0,0|1,0,0]=3 889 B13R1.537 COC(=O)C1=CC=C([C@H](C)Br)C=C1 M36739 [0,2,0,0,0,0|1,0,0]=3 890 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 M22446 [0,2,0,0,0,0|1,0,0]=3 891 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 M25458 [0,2,0,0,0,0|1,0,0]=3 892 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 M25631 [0,2,0,0,0,0|1,0,0]=3 893 B13R1.537 COC(=O)C1=CC=C([C@H](C)O)C=C1 M52832 [0,2,0,0,0,0|1,0,0]=3 894 B13R1.537 COC(=O)C1=CC=C([N+](=O)[O-])C=C1 M48510 [0,2,0,0,0,0|2,0,0]=4 895 B13R1.537 COC(=O)C1=CN=C(C(=O)[O-])C=C1 M21912 [0,2,0,0,0,0|2,0,0]=4 896 B13R1.537 O=C(CO)C1=CC=C([N+](=O)[O-])C=C1 H48523 [0,2,0,0,0,0|2,0,0]=4 897 B13R1.537 O=C(O)C1=CC=C(C(=O)CBr)C=C1 B51273 [0,2,0,0,0,0|2,0,0]=4 898 B13R1.3088 C#CC1=C(F)C=C(C(=O)OC)C=C1 M53598 [0,2,0,0,0,0|1,0,1]=4 899 B13R1.3088 CCC1=C(I)C=C(C(=O)OC)C=C1 M52651 [0,2,0,0,0,0|1,0,0]=3 900 B13R1.3088 CNC1=C(N)C=C(C(=O)OC)C=C1 M50184 [0,2,0,0,0,0|1,0,0]=3 901 B13R1.3088 COC(=O)C1=CC(Br)=C(C=O)C=C1 M51275 [0,2,0,0,0,0|2,0,0]=4 902 B13R1.3088 COC(=O)C1=CC(Br)=C(OC)C=C1 M68517 [0,2,0,0,0,0|0,0,0]=2 903 B13R1.3088 COC(=O)C1=CC(Br)=C(OC)N=C1 M48987 [0,2,0,0,0,0|1,0,0]=3 904 B13R1.3088 COC(=O)C1=CC(C)=C(C#N)C=C1 M53936 [0,2,0,0,0,0|2,0,0]=4 905 B13R1.3088 COC(=O)C1=CC(Cl)=C(C=O)C=C1 M51283 [0,2,0,0,0,0|2,0,0]=4 906 B13R1.3088 COC(=O)C1=CC(Cl)=C(CBr)C=C1 M51570 [0,2,0,0,0,0|2,0,0]=4 907 B13R1.3088 COC(=O)C1=CC(Cl)=C(OC)C=N1 M13349 [0,2,0,0,0,0|1,0,0]=3 908 B13R1.3088 COC(=O)C1=CC(Cl)=C(OC)N=C1 M49002 [0,2,0,0,0,0|1,0,0]=3 909 B13R1.3088 COC(=O)C1=CC(F)=C(C#N)C=C1 M50885 [0,2,0,0,0,0|2,0,0]=4 910 B13R1.3088 COC(=O)C1=CC(F)=C(C=O)C=C1 M51286 [0,2,0,0,0,0|2,0,0]=4 911 B13R1.3088 COC(=O)C1=CC(F)=C(CBr)C=C1 M37018 [0,2,0,0,0,0|2,0,0]=4 912 B13R1.3088 COC(=O)C1=CC(F)=C(CO)C=C1 M51999 [0,2,0,0,0,0|2,0,0]=4 913 B13R1.3088 COC(=O)C1=CC(F)=C(OC)C=C1 M68951 [0,2,0,0,0,0|0,0,0]=2 914 B13R1.3088 COC(=O)C1=CC(N)=C(OC)C=C1 M50090 [0,2,0,0,0,0|0,0,0]=2 915 B13R1.3088 COC(=O)C1=CC(O)=C(C=O)C=C1 M61610 [0,2,0,0,0,0|2,0,0]=4 916 B13R1.3088 COC(=O)C1=CC=C(OC)C(Br)=N1 M28699 [0,2,0,0,0,0|1,0,0]=3 917 B13R1.3088 COC(=O)C1=CN=C(OC)C(N)=C1 M46695 [0,2,0,0,0,0|1,0,0]=3 918 B13R1.3088 COC(=O)C1=CN=C(OC)C(O)=C1 M49355 [0,2,0,0,0,0|1,0,0]=3 919 B13R1.38 COC1=C(Br)C=C(S(=O)(=O)Cl)C=C1 B45529 [0,2,0,0,0,0|2,0,0]=4 920 B13R1.38 COC1=C(F)C=C(S(=O)(=O)Cl)C=C1 F45531 [0,2,0,0,0,0|2,0,0]=4 921 B13R1.38 COC1=C(F)C=C(S(C)(=O)=O)C=C1 F60932 [0,2,0,0,0,0|1,0,0]=3 922 B13R1.38 COC1=C(N)C=C(S(=O)(=O)O)C=C1 A39421 [0,2,0,0,0,0|2,0,0]=4 923 B13R1.96 COC1=CC(I)=C(S(C)(=O)=O)C=C1 K49414 [0,2,0,0,0,0|1,0,0]=3 924 B13R1.338 CC(=O)C1=CC=C(C(C)(C)C)C=C1 B69397 [0,2,0,0,0,0|1,0,0]=3 925 B13R1.338 CC(=O)C1=CC=C(C(F)(F)F)C=C1 T67861 [0,2,0,0,0,0|2,0,0]=4 926 B13R1.338 CC(=O)C1=CC=C(S(C)(=O)=O)C=C1 M39539 [0,2,0,0,0,0|0,1,0]=3 927 B13R1.338 CC(C)(C)C1=CC=C(C(=O)O)C=C1 B68985 [0,2,0,0,0,0|2,0,0]=4 928 B13R1.338 CC(C)(C)C1=CC=C(C(N)=O)C=C1 B54853 [0,2,0,0,0,0|2,0,0]=4 929 B13R1.338 CS(=O)(=O)C1=CC=C(C(=O)O)C=C1 M39509 [0,2,0,0,0,0|1,1,0]=4 930 B13R1.338 C[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1 M52185 [0,2,0,0,0,0|2,0,0]=4 931 B13R1.338 C[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1 M64836 [0,2,0,0,0,0|2,0,0]=4 932 B13R1.338 C[Si](C)(C)C1=CC=C(C(=O)O)C=C1 T61714 [0,2,0,0,0,0|2,0,0]=4 933 B13R1.120 CC(=O)C1=C(C)C=C([N+](=O)[O-])C=C1 M51819 [0,2,0,0,0,0|2,0,0]=4 934 B13R1.120 CC(=O)C1=C(Cl)C=C([N+](=O)[O-])C=C1 C48015 [0,2,0,0,0,0|2,0,0]=4 935 B13R1.120 CC(=O)C1=C(O)C=C(C(=O)O)C=C1 A63910 [0,2,0,0,0,0|2,0,0]=4 936 B13R1.120 CC(=O)C1=CC(F)=C([N+](=O)[O-])C=C1 F63971 [0,2,0,0,0,0|2,0,0]=4 937 B13R1.120 CC(=O)C1=CC(I)=C(C(=O)O)C=C1 A51299 [0,2,0,0,0,0|2,0,0]=4 938 B13R1.120 CC(=O)C1=CC(O)=C([N+](=O)[O-])C=C1 H63063 [0,2,0,0,0,0|2,0,0]=4 939 B13R1.120 C[C@H](N)C1=CC(F)=C(C(=O)O)C=C1 A52078 [0,2,0,0,0,0|2,0,0]=4 940 B13R1.144 CCOC1=C(Br)C=C(C(=O)O)C=C1 B51966 [0,2,0,0,0,0|1,0,0]=3 941 B13R1.144 CCOC1=C(Cl)C=C(C(=O)O)C=C1 C62787 [0,2,0,0,0,0|1,0,0]=3 942 B13R1.652 COC1=C(Br)C=C(C(=O)O)C(N)=C1 A48991 [0,2,0,0,0,0|1,0,0]=3 943 B13R1.652 COC1=C(Br)C=C(C(C)C)C(F)=C1 B8182 [0,2,0,0,0,0|1,0,1]=4 944 B13R1.652 COC1=C(Br)C=C([N+](=O)[O-])C(C)=C1 B1737 [0,2,0,0,0,0|2,0,0]=4 945 B13R1.652 COC1=C(Br)C=C([N+](=O)[O-])C(F)=C1 B38703 [0,2,0,0,0,0|2,0,0]=4 946 B13R1.652 COC1=C(Cl)C=C(C(=O)O)C(N)=C1 A49004 [0,2,0,0,0,0|1,0,0]=3 947 B13R1.652 COC1=C(F)C=C(C(=O)O)C(N)=C1 A14714 [0,2,0,0,0,0|1,0,0]=3 948 B13R1.652 COC1=C(I)C=C(C(C)C)C(F)=C1 F14796 [0,2,0,0,0,0|1,0,1]=4 949 B13R1.652 COC1=C(I)C=C([N+](=O)[O-])C(I)=C1 D45017 [0,2,0,0,0,0|2,0,0]=4 950 B13R1.652 COC1=CC(Br)=C(C(=O)O)C=C1O B48698 [0,2,0,0,0,0|1,0,0]=3 951 B13R1.652 COC1=CC(F)=C([N+](=O)[O-])C=C1N F45682 [0,2,0,0,0,0|2,0,0]=4 952 B13R1.652 COC1=CC(N)=C([N+](=O)[O-])C=C1C M46693 [0,2,0,0,0,0|2,0,0]=4 953 B13R1.3091 C#CC1=C(CC)C=CC(C(=O)O)=C1 E54345 [0,2,0,0,0,0|2,0,0]=4 954 B13R1.3091 CCC1=C(CO)C=CC(C(C)=O)=C1 E62280 [0,2,0,0,0,0|2,0,0]=4 955 B13R1.3091 COC1=C(C=O)C=C([N+](=O)[O-])C=C1 M22637 [0,2,0,0,0,0|2,0,0]=4 956 B13R1.3091 COC1=C(CO)C=C([N+](=O)[O-])C=C1 M49352 [0,2,0,0,0,0|2,0,0]=4 957 B13R1.3091 COC1=C(OC)C=C(C(C)=O)C=C1 D67685 [0,2,0,0,0,0|0,0,0]=2 958 B13R1.3091 COC1=C(OC)C=C([C@@H](C)N)C=C1 D53151 [0,2,0,0,0,0|1,0,1]=4 959 B13R1.3091 COC1=C(OC)C=C([C@@H](C)N)C=C1 D54200 [0,2,0,0,0,0|1,0,1]=4 960 B13R1.3091 COC1=C(OC)C=C([N+](=O)[O-])C=C1 D49347 [0,2,0,0,0,0|2,0,0]=4 961 B13R1.3096 COC1=C(C)C(C)=C(C(=O)O)C=C1 M52840 [0,2,0,0,0,0|1,0,0]=3 962 B13R1.3096 COC1=C(C)C(C)=C([N+](=O)[O-])C=C1 M68970 [0,2,0,0,0,0|2,0,0]=4 963 B13R1.3096 COC1=C(C)C(N)=C(C(C)=O)C=C1 A52970 [0,2,0,0,0,0|0,0,0]=2 964 B13R1.3096 COC1=CC=C(C(C)=O)C(N)=C1Br A49801 [0,2,0,0,0,0|0,0,0]=2 965 B13R1.3096 COC1=CC=C(C(C)=O)C(N)=C1Cl A49822 [0,2,0,0,0,0|0,0,0]=2 966 B13R1.3096 COC1=CC=C([N+](=O)[O-])C(Br)=C1O B45460 [0,2,0,0,0,0|2,0,0]=4 967 B13R1.3096 COC1=CC=C([N+](=O)[O-])C(F)=C1F D45010 [0,2,0,0,0,0|2,0,0]=4 968 B13R1.3380 COC1=C(Br)C=C(C(=O)O)C=C1Br D63195 [0,2,0,0,0,0|1,0,0]=3 969 B13R1.3380 COC1=C(Br)C=C(C(=O)O)C=C1O B48699 [0,2,0,0,0,0|1,0,0]=3 970 B13R1.3380 COC1=C(C)C=C(C(=O)O)C=C1C D52839 [0,2,0,0,0,0|1,0,0]=3 971 B13R1.3380 COC1=C(Cl)C=C(C(=O)O)C=C1Cl D48219 [0,2,0,0,0,0|1,0,0]=3 972 B13R1.3380 COC1=C(F)C=C(C(=O)O)C=C1F D48227 [0,2,0,0,0,0|1,0,0]=3 973 B13R1.3380 COC1=C(F)C=C([N+](=O)[O-])C=C1F D45011 [0,2,0,0,0,0|2,0,0]=4 974 B13R1.74 CCCCC1=CC=C(C(=O)O)C=C1 B54762 [0,2,0,0,0,0|2,0,0]=4 975 B13R1.74 O=[N+]([O-])C1=CC=C(OCCCl)C=C1 C48999 [0,2,0,0,0,0|2,0,0]=4 976 B13R1.74 O=[N+]([O-])C1=CC=C(OCCO)C=C1 N64062 [0,2,0,0,0,0|2,0,0]=4 977 B13R1.99 COC1=CC(C#N)=C([N+](=O)[O-])C=C1 M47899 [0,2,0,0,0,0|2,0,0]=4 978 B13R1.99 COC1=CC(C=O)=C([N+](=O)[O-])C=C1 M9372 [0,2,0,0,0,0|2,0,0]=4 979 B13R1.99 COC1=CC(OC)=C(C(=O)O)C=C1 D39540 [0,2,0,0,0,0|1,0,0]=3 980 B13R1.428 COC1=CC(C)=C(C(=O)O)C(C)=C1 D52837 [0,2,0,0,0,0|1,0,0]=3 981 B13R1.428 COC1=CC(F)=C(C(=O)O)C(F)=C1 D48226 [0,2,0,0,0,0|1,0,0]=3 982 B11R1.159 CC(=O)C1=C(C)C(C)=CC=C1 D52783 [0,0,1,1,0,0|1,0,1]=4 983 B11R1.159 CC(=O)C1=C(F)C(C)=CC=C1 F52047 [0,0,1,1,0,0|2,0,0]=4 984 B11R1.159 CC(=O)C1=C(O)C(C)=CC=C1 H27971 [0,0,1,1,0,0|2,0,0]=4 985 B11R2.190 C=CC1=CC2=C(C=C1)CC2 V52272 [1,0,0,1,0,0|1,0,1]=4 986 B11R2.190 O=CC1=CC2=C(C=C1)CC2 B51547 [1,0,0,1,0,0|1,0,0]=3 987 B11R2.34 OC1=CC=C(C2CC2)C=C1 C49871 [1,0,0,1,0,0|1,0,1]=4 988 B13R2.2121 COC1=CC2=C(C=C1)C=C(I)S2 K64284 [0,0,0,1,0,1|1,1,0]=4 989 B13R2.2121 COC1=CC2=C(C=C1)CC(=O)N2 M62100 [0,0,0,1,0,1|1,0,0]=3 990 B13R2.2121 COC1=CC2=C(C=C1)N=C(Br)S2 B48082 [0,0,0,1,0,1|1,1,0]=4 991 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)O2 M51781 [0,0,0,1,0,1|0,0,1]=3 992 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)S2 M51869 [0,0,0,1,0,1|0,1,0]=3 993 B13R2.2121 COC1=CC2=C(C=C1)N=C(Cl)S2 C48092 [0,0,0,1,0,1|1,1,0]=4 994 B13R2.2121 COC1=CC2=C(C=C1)N=C(N)S2 M21846 [0,0,0,1,0,1|1,1,0]=4 995 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)C2 M51768 [0,0,0,1,0,1|0,0,0]=2 996 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)N2 M48826 [0,0,0,1,0,1|1,0,0]=3 997 B13R2.2121 COC1=CC2=C(C=C1)NC(=S)N2 M68025 [0,0,0,1,0,1|1,1,0]=4 998 B13R2.2121 COC1=CC2=C(C=C1)NC(=S)S2 M48560 [0,0,0,1,0,1|1,1,0]=4 999 B13R2.2121 COC1=CC2=C(C=C1)NC(C)=C2 M16422 [0,0,0,1,0,1|1,0,0]=3 1000 B13R2.2121 COC1=CC2=C(C=C1)NC(N)=N2 M49214 [0,0,0,1,0,1|2,0,0]=4 1001 B13R2.2121 COC1=CC2=C(C=C1)SC(=O)N2 M48491 [0,0,0,1,0,1|1,0,0]=3 1002 B13R2.2121 COC1=CC2=C(C=C1)SC(N)=N2 M24172 [0,0,0,1,0,1|2,0,0]=4 1003 B13R2.2121 COC1=CC2=C(C=C1)SC(S)=N2 M48558 [0,0,0,1,0,1|1,1,0]=4 1004 B13R2.2121 COC1=CC2=CN(C)N=C2C=C1 M49721 [0,0,0,1,0,1|2,0,0]=4 1005 B13R2.2121 COC1=NC2=C(C=C1)NC(=O)C2 M48829 [0,0,0,1,0,1|1,0,0]=3 1006 B13R2.2121 COC1=NC=C2NC(C)=CC2=C1 M15769 [0,0,0,1,0,1|2,0,0]=4 1007 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CC2 M52419 [0,1,0,1,0,0|0,0,0]=2 1008 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 M36796 [0,1,0,1,0,0|0,0,0]=2 1009 B13R2.2130 COC1=CC2=C(C=C1)C(=O)N=C2 M67788 [0,1,0,1,0,0|0,0,1]=3 1010 B13R2.2130 COC1=CC2=C(C=C1)C(=O)OC2 M51628 [0,1,0,1,0,0|0,0,0]=2 1011 B13R2.2130 COC1=CC2=C(C=C1)C(C)=NN2 M49722 [0,1,0,1,0,0|1,0,0]=3 1012 B13R2.2130 COC1=CC2=C(C=C1)C(I)=NN2 K6150 [0,1,0,1,0,0|2,0,0]=4 1013 B13R2.2130 COC1=CC2=C(C=C1)N(C)C=N2 M49725 [0,1,0,1,0,0|2,0,0]=4 1014 B13R2.2130 N#CC1=CC2=C(C=C1)C(=O)CC2 D37981 [0,1,0,1,0,0|2,0,0]=4 1015 B13R2.2130 N#CC1=CC2=C(C=C1)C(=O)OC2 X39561 [0,1,0,1,0,0|2,0,0]=4 1016 B13R2.2130 NCC1=CC2=C(C=C1)C(=O)NC2 A15155 [0,1,0,1,0,0|2,0,0]=4 1017 B13R2.2130 NCC1=CC2=C(C=C1)C(=O)NC2 A52060 [0,1,0,1,0,0|2,0,0]=4 1018 B13R2.2130 O=CC1=CC2=C(C=C1)C(=O)NC2 X38923 [0,1,0,1,0,0|2,0,0]=4 1019 B13R2.430 CC(=O)C1=CC2=C(C=C1)NC=C2 K24116 [0,1,0,1,0,0|1,0,1]=4 1020 B13R2.430 CC(=O)C1=CC2=C(C=C1)NN=C2 I5698 [0,1,0,1,0,0|1,0,1]=4 1021 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCC2 D65080 [0,1,0,1,0,0|0,0,0]=2 1022 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCO2 M51629 [0,1,0,1,0,0|0,0,0]=2 1023 B13R2.430 NC(=O)C1=CC2=C(C=C1)OCC2 D51783 [0,1,0,1,0,0|1,0,0]=3 1024 B13R2.430 O=C(O)C1=CC2=C(C=C1)COC2 D61950 [0,1,0,1,0,0|1,0,0]=3 1025 B13R2.430 O=C(O)C1=CC2=C(C=C1)NCC2 K51777 [0,1,0,1,0,0|2,0,0]=4 1026 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 B50993 [0,1,0,1,0,0|1,0,1]=4 1027 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=N2 B20156 [0,1,0,1,0,0|1,0,1]=4 1028 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCO2 B48236 [0,1,0,1,0,0|1,0,0]=3 1029 B13R2.430 O=C(O)C1=CC2=C(C=C1)ON=C2 B60088 [0,1,0,1,0,0|1,0,1]=4 1030 B13R2.430 O=C(O)C1=CC2=NON=C2C=C1 B22067 [0,1,0,1,0,0|2,0,0]=4 1031 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)OCC2 N48504 [0,1,0,1,0,0|2,0,0]=4 1032 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)OCO2 N61948 [0,1,0,1,0,0|2,0,0]=4 1033 B13R2.428 CC(=O)C1=CC=C(C2CC2)C=C1 C54539 [0,1,0,1,0,0|1,0,0]=3 1034 B13R2.428 O=C(O)C1=CC=C(C2CC2)C=C1 C52431 [0,1,0,1,0,0|2,0,0]=4 1035 B13R2.428 O=[N+]([O-])C1=CC=C([C@@H]2CO2)C=C1 N63422 [0,1,0,1,0,0|2,0,0]=4 1036 B9R1.21 COC1=CC=C(OC)S1 D43309 [1,0,0,0,1,0|2,0,0]=4 1037 B9R1.21 COC1=NC=C(C=O)S1 M40995 [1,0,0,0,1,0|2,0,0]=4 1038 B9R1.35 CC(=O)C1=CC(Br)=CS1 B13699 [1,0,0,0,1,0|2,0,0]=4 1039 B9R1.35 CC(=O)C1=CC(Cl)=CS1 A12844 [1,0,0,0,1,0|2,0,0]=4 1040 B9R1.35 CC(=O)C1=CC=C(Br)S1 A12839 [1,0,0,0,1,0|2,0,0]=4 1041 B9R1.35 CC(=O)C1=CC=C(C)S1 A46277 [1,0,0,0,1,0|1,0,0]=3 1042 B9R1.35 CC(=O)C1=CN(C)N=C1 M3257 [1,0,0,0,1,0|2,0,0]=4 1043 B9R1.35 CC(=O)C1=CNC(C)=C1 M46389 [1,0,0,0,1,0|1,0,0]=3 1044 B9R1.35 CC(=O)C1=CSC(Cl)=C1 A1568 [1,0,0,0,1,0|2,0,0]=4 1045 B9R1.35 CC(=O)C1=NC(C)=CO1 M43141 [1,0,0,0,1,0|2,0,0]=4 1046 B9R1.35 CC(=O)C1=NN(C)C=C1 A13629 [1,0,0,0,1,0|2,0,0]=4 1047 B9R1.35 CC(=O)C1=NNC(C)=C1 M62065 [1,0,0,0,1,0|2,0,0]=4 1048 B9R1.35 CC(=O)C1=NOC(C)=C1 M43142 [1,0,0,0,1,0|2,0,0]=4 1049 B9R1.35 CC1=CC(C(=O)O)=CN1 M43147 [1,0,0,0,1,0|2,0,0]=4 1050 B9R1.35 CC1=CC(C(=O)O)=CS1 M5852 [1,0,0,0,1,0|2,0,0]=4 1051 B9R1.35 CC1=CC=C(C(=O)O)N1 M36732 [1,0,0,0,1,0|2,0,0]=4 1052 B9R1.35 CC1=CC=C(C(=O)O)O1 M38051 [1,0,0,0,1,0|2,0,0]=4 1053 B9R1.35 CC1=CC=C(C(=O)O)S1 M42943 [1,0,0,0,1,0|2,0,0]=4 1054 B9R1.35 CN1C=CC(C(=O)O)=C1 M43143 [1,0,0,0,1,0|2,0,0]=4 1055 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 B52021 [1,0,0,0,0,1|1,0,0]=3 1056 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 C52036 [1,0,0,0,0,1|1,0,0]=3 1057 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 F52043 [1,0,0,0,0,1|1,0,0]=3 1058 B11R1.20 CC(=O)NC1=CN=C(O)C=C1 H46009 [1,0,0,0,0,1|1,0,0]=3 1059 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 B45690 [1,0,0,0,0,1|2,0,0]=4 1060 B11R1.20 CC(=O)NC1=NC=C(O)C=C1 H46008 [1,0,0,0,0,1|1,0,0]=3 1061 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 A66708 [1,0,0,0,0,1|1,0,0]=3 1062 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 A64153 [1,0,0,0,0,1|0,0,0]=2 1063 B11R1.20 CC(C)OC1=CC=C(O)C=C1 P60509 [1,0,0,0,0,1|1,0,1]=4 1064 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 T37815 [1,0,0,0,0,1|1,0,0]=3 1065 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 T46710 [1,0,0,0,0,1|1,1,0]=4 1066 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 M49647 [1,0,0,0,0,1|2,0,0]=4 1067 B11R1.20 CC1=NC=C(CC(=O)O)C=C1 M61975 [1,0,0,0,0,1|2,0,0]=4 1068 B11R1.20 NC(=O)CC1=CC=C(Cl)C=C1 C49035 [1,0,0,0,0,1|2,0,0]=4 1069 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 C37226 [1,0,0,0,0,1|2,0,0]=4 1070 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 A69139 [1,0,0,0,0,1|2,0,0]=4 1071 B11R1.20 O=C(Cl)OC1=CC=C(F)C=C1 F44593 [1,0,0,0,0,1|2,0,0]=4 1072 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 B7856 [1,0,0,0,0,1|2,0,0]=4 1073 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 C68318 [1,0,0,0,0,1|2,0,0]=4 1074 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 F67433 [1,0,0,0,0,1|2,0,0]=4 1075 B11R1.266 CC(=O)C1=CC(C#N)=CC=C1 A51159 [0,0,0,0,1,1|2,0,0]=4 1076 B11R1.266 CC(=O)C1=NC=CC(C#N)=C1 A38324 [0,0,0,0,1,1|2,0,0]=4 1077 B11R1.266 COC1=CC(C(=N)N)=CC=C1 M49491 [0,0,0,0,1,1|2,0,0]=4 1078 B11R1.266 COC1=CC(C(=N)N)=NC=C1 M37699 [0,0,0,0,1,1|2,0,0]=4 1079 B11R1.266 COC1=CC(C(=O)O)=CN=C1 M45836 [0,0,0,0,1,1|1,0,0]=3 1080 B11R1.266 COC1=CC(C(=O)O)=CN=N1 M19640 [0,0,0,0,1,1|2,0,0]=4 1081 B11R1.266 COC1=CC(C(=O)O)=NC=C1 M3752 [0,0,0,0,1,1|1,0,0]=3 1082 B11R1.266 COC1=CC(C(=O)O)=NC=N1 M23407 [0,0,0,0,1,1|2,0,0]=4 1083 B11R1.266 COC1=CC(N(C)C)=CC=C1 M50347 [0,0,0,0,1,1|2,0,0]=4 1084 B11R1.266 COC1=CC([C@@H](C)N)=CC=C1 M50354 [0,0,0,0,1,1|1,0,1]=4 1085 B11R1.266 COC1=CC([C@H](C)N)=CC=C1 M52175 [0,0,0,0,1,1|1,0,1]=4 1086 B11R1.266 COC1=CC([C@H](C)N)=CC=C1 M64083 [0,0,0,0,1,1|1,0,1]=4 1087 B11R1.266 COC1=CC([C@H](C)N)=CC=C1 M64469 [0,0,0,0,1,1|1,0,1]=4 1088 B11R1.266 COC1=CC([C@H](C)O)=CC=C1 M50283 [0,0,0,0,1,1|0,0,2]=4 1089 B11R1.266 COC1=CC=CC(C(=O)O)=N1 M45837 [0,0,0,0,1,1|2,0,0]=4 1090 B11R1.266 COC1=CC=CC(C(C)=O)=C1 M27970 [0,0,0,0,1,1|0,0,0]=2 1091 B11R1.266 COC1=CC=CC(C(C)=O)=N1 A49277 [0,0,0,0,1,1|1,0,0]=3 1092 B11R1.266 COC1=CC=CC(C(N)=O)=N1 M39020 [0,0,0,0,1,1|2,0,0]=4 1093 B11R1.266 COC1=CN=CC(C(=O)O)=N1 M42788 [0,0,0,0,1,1|2,0,0]=4 1094 B11R1.266 COC1=CN=CC(C(N)=O)=N1 M63359 [0,0,0,0,1,1|2,0,0]=4 1095 B11R1.266 COC1=NC=CC(C(=O)O)=C1 M12734 [0,0,0,0,1,1|1,0,0]=3 1096 B11R1.266 COC1=NC=CC(C(=O)O)=N1 M38982 [0,0,0,0,1,1|2,0,0]=4 1097 B11R1.266 COC1=NC=CC([C@@H](C)N)=C1 M49669 [0,0,0,0,1,1|1,0,1]=4 1098 B11R1.266 COC1=NC=CC([C@H](C)N)=C1 M49540 [0,0,0,0,1,1|1,0,1]=4 1099 B11R1.266 CSC1=CC(C(=O)O)=CC=C1 M49088 [0,0,0,0,1,1|1,1,0]=4 1100 B11R1.266 CSC1=NC(C(C)=O)=CC=N1 M46058 [0,0,0,0,1,1|1,1,0]=4 1101 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 M52829 [0,0,0,0,0,2|1,0,0]=3 1102 B13R1.3 COC1=CC=C(CNC(N)=O)C=C1 M38061 [0,0,0,0,0,2|1,0,0]=3 1103 B13R1.3 COC1=CC=C(OCC(=O)O)C=C1 M49941 [0,0,0,0,0,2|1,0,0]=3 1104 B13R1.3 CSC1=CC=C(C=CC(=O)O)C=C1 M52447 [0,0,0,0,0,2|1,1,0]=4