0 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 E62179 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.3 C#CC1=CC=C(C(C)C)C=C1 E54481 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.3 C#CC1=CC=C(N(C)C)C=C1 D38058 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.3 C=CC1=CC=C([SiH](C)C)C=C1 D53107 [0,0,0,0,0,0|1,1,1]=3 4 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 A51160 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.3 CC(=O)C1=CC=C(C=O)C=C1 A51552 [0,0,0,0,0,0|1,0,3]=4 6 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 B36669 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 A52108 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 H49897 [0,0,0,0,0,0|1,0,1]=2 9 B11R1.3 CC(C)C1=CC=C(CN)C=C1 P53115 [0,0,0,0,0,0|1,0,0]=1 10 B11R1.3 CCC1=CC=C(B(O)O)C=C1 E3140 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 E61033 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 D69320 [0,0,0,0,0,0|1,0,2]=3 13 B11R1.3 CN(C)C1=CC=C(CO)C=C1 D61045 [0,0,0,0,0,0|1,0,0]=1 14 B11R1.3 CN(C)C1=CC=C(NN)C=C1 H49675 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.3 CN(C)C1=CN=C(CN)N=C1 A14743 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.3 CNC1=CC=C(C(C)=O)C=C1 M50024 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.3 COC1=CC=C([C@@H](C)O)C=C1 M50287 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 M50345 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 M63049 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 M68132 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 M38013 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 M50288 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 M49959 [0,0,0,0,0,0|3,0,1]=4 24 B11R1.3 C[C@@H](N)C1=CC=C(C#N)C=C1 A52058 [0,0,0,0,0,0|2,0,1]=3 25 B11R1.3 C[C@@H](N)C1=CC=C(C#N)C=C1 A64157 [0,0,0,0,0,0|2,0,1]=3 26 B11R1.3 C[C@@H](N)C1=CC=C(CO)C=C1 A64851 [0,0,0,0,0,0|1,0,0]=1 27 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 A52059 [0,0,0,0,0,0|2,0,1]=3 28 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 A64156 [0,0,0,0,0,0|2,0,1]=3 29 B11R1.3 N#CC1=CC=C(C(Cl)Cl)C=C1 D47688 [0,0,0,0,0,0|3,0,1]=4 30 B11R1.3 NCC1=CC=C(B(O)O)C=C1 A1320 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 A37814 [0,0,0,0,0,0|3,0,1]=4 32 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 A49493 [0,0,0,0,0,0|3,0,1]=4 33 B11R1.3 NCC1=CC=C([N+](=O)[O-])C=C1 N46556 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 H49094 [0,0,0,0,0,0|2,0,1]=3 35 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 H32219 [0,0,0,0,0,0|3,0,1]=4 36 B11R1.3 O=[N+]([O-])C1=CC=C(CO)C=C1 N68869 [0,0,0,0,0,0|3,0,0]=3 37 B11R1.3 O=[N+]([O-])C1=CN=C(CO)C=C1 N42784 [0,0,0,0,0,0|4,0,0]=4 38 B11R1.3 OB(O)C1=CC=C(CBr)C=C1 B1880 [0,0,0,0,0,0|4,0,0]=4 39 B11R1.3 OCC1=CC=C(B(O)O)C=C1 H3720 [0,0,0,0,0,0|3,0,0]=3 40 B10R1.3 BrCC1=CC=C(CBr)C=C1 B48752 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.3 C#CC1=CC=C(CC)C=C1 E52271 [1,0,0,0,0,0|1,0,1]=3 42 B10R1.3 C#CC1=CC=C(CN)C=C1 E38189 [1,0,0,0,0,0|1,0,2]=4 43 B10R1.3 C#CC1=CC=C(CO)C=C1 E51546 [1,0,0,0,0,0|0,0,2]=3 44 B10R1.3 C#CC1=CC=C(OC)C=C1 E51542 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.3 C=CC1=CC=C(CO)C=C1 V32337 [1,0,0,0,0,0|0,0,2]=3 46 B10R1.3 C=CC1=CC=C(OC)C=C1 M68575 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.3 CCC1=CC=C(NN)C=C1 E49533 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.3 CCC1=CC=C(OC)C=C1 E50270 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.3 CCC1=CN=C(C=O)C=C1 E49257 [1,0,0,0,0,0|1,0,2]=4 50 B10R1.3 CNC1=CC=C(C#N)C=C1 M67463 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.3 COC1=CC=C(C#N)C=C1 M68579 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.3 COC1=CC=C(CN)C=C1 M4627 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.3 COC1=CC=C(CO)C=C1 M68895 [1,0,0,0,0,0|1,0,0]=2 54 B10R1.3 COC1=CC=C(NN)C=C1 M46462 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.3 COC1=CC=C(OC)C=C1 D68896 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.3 COC1=CN=C(CCl)C=C1 C15224 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.3 COC1=CN=C(CO)C=C1 H15223 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.3 COC1=NC=C(CBr)C=C1 B37014 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.3 COC1=NC=C(CCl)C=C1 C46199 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.3 COC1=NC=C(CN)C=C1 A10463 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.3 COC1=NC=C(CN)C=C1 M29962 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.3 COC1=NC=C(CN)C=C1 M46593 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.3 COC1=NC=C(CO)C=C1 M0584 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.3 COC1=NC=C(CO)C=N1 M16831 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.3 COC1=NC=C(CO)N=C1 M61572 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.3 CSC1=CC=C(C=O)C=C1 M49157 [1,0,0,0,0,0|1,0,2]=4 67 B10R1.3 CSC1=NC=C(CO)C=N1 M36801 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.3 N#CC1=CC=C(CBr)C=C1 C47942 [1,0,0,0,0,0|2,0,1]=4 69 B10R1.3 N#CC1=CC=C(CCl)C=C1 C47959 [1,0,0,0,0,0|2,0,1]=4 70 B10R1.3 N#CC1=CC=C(CN)C=C1 A37021 [1,0,0,0,0,0|2,0,1]=4 71 B10R1.3 N#CC1=CC=C(CN)C=C1 A49611 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.3 N#CC1=CC=C(CO)C=C1 H48443 [1,0,0,0,0,0|1,0,1]=3 73 B10R1.3 N#CC1=CN=C(CO)C=C1 H45222 [1,0,0,0,0,0|2,0,1]=4 74 B10R1.3 N#CC1=NC=C(CO)C=C1 H24396 [1,0,0,0,0,0|2,0,1]=4 75 B10R1.3 NCC1=CC=C(CN)C=C1 P46958 [1,0,0,0,0,0|2,0,0]=3 76 B10R1.3 NCC1=CC=C(CO)C=C1 A37992 [1,0,0,0,0,0|1,0,0]=2 77 B10R1.3 O=CC1=CC=C(CBr)C=C1 B24021 [1,0,0,0,0,0|1,0,2]=4 78 B10R1.3 O=CC1=CC=C(CCl)C=C1 C38746 [1,0,0,0,0,0|1,0,2]=4 79 B10R1.3 O=CC1=CC=C(CO)C=C1 H49069 [1,0,0,0,0,0|1,0,1]=3 80 B10R1.3 OCC1=CC=C(CBr)C=C1 B38754 [1,0,0,0,0,0|1,0,0]=2 81 B10R1.3 OCC1=CC=C(CCl)C=C1 C49451 [1,0,0,0,0,0|1,0,0]=2 82 B10R1.3 OCC1=CC=C(CO)C=C1 B68897 [1,0,0,0,0,0|1,0,0]=2 83 B10R1.13 C=C(C)C1=CC=C(F)C=C1 F51670 [1,0,0,0,0,0|1,0,2]=4 84 B10R1.13 C=C(C)C1=CC=C(O)C=C1 P49877 [1,0,0,0,0,0|0,0,2]=3 85 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M68572 [1,0,0,0,0,0|1,0,1]=3 86 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C68865 [1,0,0,0,0,0|2,0,1]=4 87 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F38426 [1,0,0,0,0,0|2,0,1]=4 88 B10R1.13 CC(=O)C1=CC=C(I)C=C1 K39500 [1,0,0,0,0,0|2,0,1]=4 89 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A68181 [1,0,0,0,0,0|2,0,1]=4 90 B10R1.13 CC(=O)C1=CC=C(O)C=C1 H64899 [1,0,0,0,0,0|1,0,1]=3 91 B10R1.13 CC(=O)C1=CN=C(C)C=C1 A23296 [1,0,0,0,0,0|2,0,1]=4 92 B10R1.13 CC(=O)C1=NC=C(C)C=C1 M49266 [1,0,0,0,0,0|2,0,1]=4 93 B10R1.13 CC(=O)C1=NC=C(O)C=C1 H45820 [1,0,0,0,0,0|2,0,1]=4 94 B10R1.13 CC(C)C1=CC=C(Br)C=C1 B49963 [1,0,0,0,0,0|1,0,0]=2 95 B10R1.13 CC(C)C1=CC=C(N)C=C1 P69319 [1,0,0,0,0,0|1,0,0]=2 96 B10R1.13 CC(C)C1=CC=C(O)C=C1 P60863 [1,0,0,0,0,0|0,0,0]=1 97 B10R1.13 CC(C)C1=CC=C([Mg+])C=C1 P31759 [1,0,0,0,0,0|1,0,0]=2 98 B10R1.13 CC(C)C1=CN=C(Br)C=C1 B46728 [1,0,0,0,0,0|2,0,0]=3 99 B10R1.13 CC(C)C1=CN=C(N)C=C1 P24474 [1,0,0,0,0,0|2,0,0]=3 100 B10R1.13 CC(C)C1=NC=C(Br)C=C1 B32058 [1,0,0,0,0,0|2,0,0]=3 101 B10R1.13 CC(C)C1=NC=C(Br)C=N1 B13199 [1,0,0,0,0,0|3,0,0]=4 102 B10R1.13 CC(C)C1=NC=C(N)C=C1 A12160 [1,0,0,0,0,0|2,0,0]=3 103 B10R1.13 CC1=CC=C(B(O)O)C=C1 T5215 [1,0,0,0,0,0|3,0,0]=4 104 B10R1.13 CC1=CC=C(C(=N)N)C=C1 M38078 [1,0,0,0,0,0|2,0,1]=4 105 B10R1.13 CC1=CC=C(C(=O)O)C=C1 M64877 [1,0,0,0,0,0|2,0,1]=4 106 B10R1.13 CC1=CC=C(C(C)C)C=C1 D60786 [1,0,0,0,0,0|0,0,0]=1 107 B10R1.13 CC1=CC=C(C(N)=O)C=C1 M39514 [1,0,0,0,0,0|2,0,1]=4 108 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T52161 [1,0,0,0,0,0|1,0,0]=2 109 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T60511 [1,0,0,0,0,0|1,0,0]=2 110 B10R1.13 CC1=CC=C([C@@H](C)O)C=C1 T50271 [1,0,0,0,0,0|1,0,0]=2 111 B10R1.13 CC1=CC=C([S@](=O)[O-])C=C1 S38423 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 M65785 [1,0,0,0,0,0|2,0,0]=3 113 B10R1.13 CC1=CC=C([S@](N)=O)C=C1 M36646 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 M49667 [1,0,0,0,0,0|2,0,0]=3 115 B10R1.13 CC1=NC=C([C@H](C)O)C=C1 H64312 [1,0,0,0,0,0|2,0,0]=3 116 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 C46751 [1,0,0,0,0,0|2,0,0]=3 117 B10R1.13 CN(C)C1=CC=C(I)C=C1 K46770 [1,0,0,0,0,0|2,0,0]=3 118 B10R1.13 CN(C)C1=CC=C([Mg+])C=C1 D31762 [1,0,0,0,0,0|2,0,0]=3 119 B10R1.13 CN(C)C1=CN=C(Br)C=C1 B46285 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.13 CN(C)C1=CN=C(Cl)C=C1 C46302 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.13 CN(C)C1=NC=C(Br)C=C1 B3355 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.13 CN(C)C1=NC=C(I)C=C1 K46311 [1,0,0,0,0,0|3,0,0]=4 123 B10R1.13 CN(C)C1=NC=C(N)C=C1 A12270 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 B38580 [1,0,0,0,0,0|2,0,0]=3 125 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 C64533 [1,0,0,0,0,0|2,0,0]=3 126 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 F46766 [1,0,0,0,0,0|2,0,0]=3 127 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 F49509 [1,0,0,0,0,0|2,0,0]=3 128 B10R1.13 C[C@@H](N)C1=CN=C(Br)C=C1 B63698 [1,0,0,0,0,0|3,0,0]=4 129 B10R1.13 C[C@@H](N)C1=NC=C(F)C=C1 F46566 [1,0,0,0,0,0|3,0,0]=4 130 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 B49428 [1,0,0,0,0,0|2,0,0]=3 131 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 C49454 [1,0,0,0,0,0|2,0,0]=3 132 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 F49461 [1,0,0,0,0,0|2,0,0]=3 133 B10R1.13 C[C@H](Br)C1=CC=C(F)C=C1 B36983 [1,0,0,0,0,0|2,0,0]=3 134 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B46724 [1,0,0,0,0,0|2,0,0]=3 135 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B46735 [1,0,0,0,0,0|2,0,0]=3 136 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B65383 [1,0,0,0,0,0|2,0,0]=3 137 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 F36974 [1,0,0,0,0,0|2,0,0]=3 138 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 F64415 [1,0,0,0,0,0|2,0,0]=3 139 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 K46768 [1,0,0,0,0,0|2,0,0]=3 140 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 K46771 [1,0,0,0,0,0|2,0,0]=3 141 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 A46957 [1,0,0,0,0,0|2,0,0]=3 142 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 B46292 [1,0,0,0,0,0|3,0,0]=4 143 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 B46296 [1,0,0,0,0,0|3,0,0]=4 144 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F0635 [1,0,0,0,0,0|3,0,0]=4 145 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F46612 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 B49431 [1,0,0,0,0,0|2,0,0]=3 147 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49442 [1,0,0,0,0,0|2,0,0]=3 148 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49449 [1,0,0,0,0,0|2,0,0]=3 149 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 F49463 [1,0,0,0,0,0|2,0,0]=3 150 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 H46826 [1,0,0,0,0,0|1,0,0]=2 151 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 B63199 [1,0,0,0,0,0|3,0,0]=4 152 B10R1.13 FC(F)C1=CC=C(Cl)C=C1 C44732 [1,0,0,0,0,0|3,0,0]=4 153 B10R1.13 FC(F)C1=CC=C(I)C=C1 D44733 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.13 N=C(N)C1=CC=C(O)C=C1 H46554 [1,0,0,0,0,0|2,0,1]=4 155 B10R1.13 NC(=S)C1=CC=C(O)C=C1 H39401 [1,0,0,0,0,0|2,0,1]=4 156 B10R1.13 NC1=CC=C(C(F)F)C=C1 D46546 [1,0,0,0,0,0|3,0,0]=4 157 B10R1.13 OC1=CN=C(C(F)F)C=C1 D43514 [1,0,0,0,0,0|3,0,0]=4 158 B12R1.5 CCC(=O)C1=CC=C(CC)C=C1 E22775 [0,1,0,0,0,0|2,0,1]=4 159 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 M51885 [0,1,0,0,0,0|2,0,1]=4 160 B12R1.5 COC(=O)C1=CC=C(CCl)C=C1 M39578 [0,1,0,0,0,0|2,0,1]=4 161 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 M52110 [0,1,0,0,0,0|2,0,1]=4 162 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 M64553 [0,1,0,0,0,0|2,0,1]=4 163 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 M37990 [0,1,0,0,0,0|2,0,1]=4 164 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 A50364 [0,1,0,0,0,0|3,0,0]=4 165 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 A52181 [0,1,0,0,0,0|3,0,0]=4 166 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 A52182 [0,1,0,0,0,0|3,0,0]=4 167 B12R1.6 CC(C)(C)C1=CC=C(C#N)C=C1 B54602 [0,1,0,0,0,0|1,0,1]=3 168 B12R1.6 CC(C)(C)C1=CC=C(CBr)C=C1 B54818 [0,1,0,0,0,0|1,0,0]=2 169 B12R1.6 CC(C)(C)C1=CC=C(CO)C=C1 B54950 [0,1,0,0,0,0|0,0,0]=1 170 B12R1.6 CC(C)(C)C1=CC=C(NN)C=C1 B54205 [0,1,0,0,0,0|2,0,0]=3 171 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 B54952 [0,1,0,0,0,0|2,0,0]=3 172 B12R1.6 CS(=O)(=O)C1=CC=C(CBr)C=C1 B49382 [0,1,0,0,0,0|3,0,0]=4 173 B12R1.6 CS(=O)(=O)C1=CC=C(CN)C=C1 M49531 [0,1,0,0,0,0|3,0,0]=4 174 B12R1.6 CS(=O)(=O)C1=CC=C(CO)C=C1 M46852 [0,1,0,0,0,0|2,0,0]=3 175 B12R1.6 CS(=O)(=O)C1=NC=C(CO)C=C1 M46437 [0,1,0,0,0,0|3,0,0]=4 176 B12R1.6 FC(F)(F)C1=CC=C(CBr)C=C1 B47849 [0,1,0,0,0,0|3,0,0]=4 177 B12R1.6 NCC1=CC=C(C(F)(F)F)C=C1 T48889 [0,1,0,0,0,0|3,0,0]=4 178 B12R1.6 OCC1=CC=C(C(F)(F)F)C=C1 T60552 [0,1,0,0,0,0|2,0,0]=3 179 B12R1.6 OCC1=CN=C(C(F)(F)F)C=C1 T62589 [0,1,0,0,0,0|3,0,0]=4 180 B12R1.6 OCC1=NC=C(C(F)(F)F)C=C1 T22974 [0,1,0,0,0,0|3,0,0]=4 181 B12R1.48 CC1=C(C=O)C=CC(N(C)C)=C1 D67269 [0,1,0,0,0,0|1,0,2]=4 182 B12R1.48 CC1=C(CO)C=CC([N+](=O)[O-])=C1 M49322 [0,1,0,0,0,0|3,0,0]=4 183 B12R1.48 CN(C)C1=CC(O)=C(C=O)C=C1 D50075 [0,1,0,0,0,0|1,0,2]=4 184 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 F52155 [0,1,0,0,0,0|3,0,0]=4 185 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 F63085 [0,1,0,0,0,0|3,0,0]=4 186 B12R1.48 NC1=C(CO)C=CC([N+](=O)[O-])=C1 A46027 [0,1,0,0,0,0|3,0,0]=4 187 B12R1.48 O=[N+]([O-])C1=CC(Cl)=C(CO)C=C1 C45427 [0,1,0,0,0,0|3,0,0]=4 188 B12R1.48 O=[N+]([O-])C1=CC(F)=C(CO)C=C1 F24777 [0,1,0,0,0,0|3,0,0]=4 189 B12R1.48 OCC1=C(F)C=C(B(O)O)C=C1 F46265 [0,1,0,0,0,0|3,0,0]=4 190 B12R1.113 CCOC1=CC=C(C(C)=O)C=C1 E52787 [0,1,0,0,0,0|2,0,1]=4 191 B12R1.113 CN(C)C1=CC=C(CCO)C=C1 D53144 [0,1,0,0,0,0|1,0,0]=2 192 B12R1.113 O=C(O)C1=CC=C(CCO)C=C1 H49916 [0,1,0,0,0,0|2,0,1]=4 193 B12R1.113 O=[N+]([O-])C1=CC=C(CCO)C=C1 N4656 [0,1,0,0,0,0|3,0,0]=4 194 B12R1.113 OCCC1=CC=C(B(O)O)C=C1 H46949 [0,1,0,0,0,0|3,0,0]=4 195 B12R1.256 CC(=O)C1=CC=C(B(O)O)C=C1 A49401 [0,1,0,0,0,0|2,0,1]=4 196 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 A67428 [0,1,0,0,0,0|1,0,2]=4 197 B12R1.256 CC(=O)C1=CC=C(N(C)C)C=C1 D39613 [0,1,0,0,0,0|1,0,2]=4 198 B12R1.256 CC(=O)C1=NC=C(C(C)C)C=C1 P52923 [0,1,0,0,0,0|1,0,2]=4 199 B12R1.256 CC(C)C1=CC=C(B(O)O)C=C1 I3960 [0,1,0,0,0,0|1,0,0]=2 200 B12R1.256 CC(C)C1=NC=C([N+](=O)[O-])C=C1 I15649 [0,1,0,0,0,0|2,0,1]=4 201 B12R1.256 CN(C)C1=NC=C(B(O)O)C=C1 D2265 [0,1,0,0,0,0|3,0,0]=4 202 B12R1.256 CN(C)C1=NC=C(B(O)O)C=C1 D43748 [0,1,0,0,0,0|3,0,0]=4 203 B12R1.256 CN(C)C1=NC=C(C(=O)O)C=C1 D64546 [0,1,0,0,0,0|2,0,1]=4 204 B12R1.256 C[C@@H](N)C1=CC=C(C(=O)O)C=C1 A52113 [0,1,0,0,0,0|1,0,1]=3 205 B12R1.256 C[C@@H](N)C1=CC=C([N+](=O)[O-])C=C1 N65405 [0,1,0,0,0,0|2,0,1]=4 206 B12R1.256 C[C@@H](O)C1=CC=C([N+](=O)[O-])C=C1 N49316 [0,1,0,0,0,0|2,0,1]=4 207 B12R1.256 C[C@H](Br)C1=CC=C([N+](=O)[O-])C=C1 B48914 [0,1,0,0,0,0|2,0,1]=4 208 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 A22822 [0,1,0,0,0,0|1,0,1]=3 209 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 A50063 [0,1,0,0,0,0|1,0,1]=3 210 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 A52114 [0,1,0,0,0,0|1,0,1]=3 211 B12R1.256 C[C@H](N)C1=CC=C([N+](=O)[O-])C=C1 N49496 [0,1,0,0,0,0|2,0,1]=4 212 B12R1.256 C[C@H](O)C1=CC=C(B(O)O)C=C1 H46948 [0,1,0,0,0,0|2,0,0]=3 213 B12R1.256 C[C@H](O)C1=CC=C(C(=O)O)C=C1 H49915 [0,1,0,0,0,0|1,0,1]=3 214 B12R1.256 C[C@H](O)C1=CC=C(C(N)=O)C=C1 H50041 [0,1,0,0,0,0|1,0,2]=4 215 B12R1.256 C[S@](=O)C1=CC=C(B(O)O)C=C1 M4480 [0,1,0,0,0,0|3,0,0]=4 216 B12R1.256 C[SiH](C)C1=CC=C([SiH](C)C)C=C1 B53282 [0,1,0,0,0,0|1,2,0]=4 217 B12R1.256 OB(O)C1=CC=C(C(F)F)C=C1 D36858 [0,1,0,0,0,0|3,0,0]=4 218 B12R1.452 CC1=C(N(C)C)C=CC(C=O)=C1 D52927 [0,1,0,0,0,0|1,0,2]=4 219 B12R1.452 CC1=C([N+](=O)[O-])C=CC(CO)=C1 M49323 [0,1,0,0,0,0|3,0,0]=4 220 B12R1.452 COC1=CC(F)=C(C(C)C)C=C1 F15562 [0,1,0,0,0,0|2,0,0]=3 221 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 F52154 [0,1,0,0,0,0|3,0,0]=4 222 B12R1.452 NC1=C([N+](=O)[O-])C=CC(CO)=C1 A63290 [0,1,0,0,0,0|3,0,0]=4 223 B12R1.452 O=C(O)C1=C(F)C=C(CO)C=C1 F63304 [0,1,0,0,0,0|2,0,1]=4 224 B12R1.452 O=[N+]([O-])C1=C(F)C=C(CO)C=C1 F61584 [0,1,0,0,0,0|3,0,0]=4 225 B12R1.452 O=[N+]([O-])C1=C(O)C=C(CO)C=C1 H65292 [0,1,0,0,0,0|3,0,0]=4 226 B12R2.9 O=CC1=CC=C(C2CC2)C=C1 C52411 [0,0,0,1,0,0|0,0,2]=3 227 B10R1.31 CC(C)C1=COC(C=O)=C1 P65538 [0,0,0,0,1,0|1,0,2]=4 228 B10R1.31 CC(C)C1=NC(CCl)=CS1 C2078 [0,0,0,0,1,0|3,0,0]=4 229 B10R1.31 CC(C)C1=NC(CN)=CS1 A2450 [0,0,0,0,1,0|3,0,0]=4 230 B10R1.31 CC(C)C1=NC(CO)=CS1 H2956 [0,0,0,0,1,0|2,0,0]=3 231 B10R1.31 CC(C)C1=NOC(CN)=C1 A2395 [0,0,0,0,1,0|3,0,0]=4 232 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 A50169 [0,0,0,0,0,1|2,0,1]=4 233 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 A52132 [0,0,0,0,0,1|2,0,1]=4 234 B12R1.4 CC(=O)OC1=CC=C(CBr)C=C1 B51883 [0,0,0,0,0,1|2,0,1]=4 235 B12R1.4 CC(C)OC1=CC=C(C#N)C=C1 P63801 [0,0,0,0,0,1|1,0,1]=3 236 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 P52789 [0,0,0,0,0,1|0,0,2]=3 237 B12R1.4 CC(C)OC1=CC=C(NN)C=C1 P52189 [0,0,0,0,0,1|2,0,0]=3 238 B12R1.4 CC(C)OC1=NC=C(C#N)C=C1 P49720 [0,0,0,0,0,1|2,0,1]=4 239 B12R1.4 CC(C)OC1=NC=C(C=O)C=C1 P50045 [0,0,0,0,0,1|1,0,2]=4 240 B12R1.4 CN(C)CC1=CC=C(C#N)C=C1 D52684 [0,0,0,0,0,1|2,0,1]=4 241 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 A54206 [0,0,0,0,0,1|2,0,0]=3 242 B12R1.4 FC(F)OC1=CC=C(CBr)C=C1 B48723 [0,0,0,0,0,1|3,0,0]=4 243 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 H49932 [0,0,0,0,0,1|2,0,1]=4 244 B12R1.4 OCC1=CC=C(OC(F)F)C=C1 D49085 [0,0,0,0,0,1|2,0,0]=3 245 B9R1.1 BrCC1=CC=C(I)C=C1 B45171 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.1 C#CC1=CC=C(C)C=C1 E68609 [2,0,0,0,0,0|0,0,2]=4 247 B9R1.1 C=CC1=CC=C(O)C=C1 V67697 [2,0,0,0,0,0|0,0,2]=4 248 B9R1.1 CC1=CC=C(C=O)C=C1 M68600 [2,0,0,0,0,0|0,0,2]=4 249 B9R1.1 CC1=CC=C(CN)C=C1 M69544 [2,0,0,0,0,0|1,0,0]=3 250 B9R1.1 CC1=CC=C(CO)C=C1 T37852 [2,0,0,0,0,0|0,0,0]=2 251 B9R1.1 CC1=CC=C(NN)C=C1 T68855 [2,0,0,0,0,0|2,0,0]=4 252 B9R1.1 CC1=CN=C(CCl)C=C1 C46107 [2,0,0,0,0,0|2,0,0]=4 253 B9R1.1 CC1=CN=C(CN)C=C1 M43622 [2,0,0,0,0,0|2,0,0]=4 254 B9R1.1 CC1=CN=C(CN)C=C1 M46461 [2,0,0,0,0,0|2,0,0]=4 255 B9R1.1 CC1=CN=C(CO)C=N1 M43210 [2,0,0,0,0,0|2,0,0]=4 256 B9R1.1 CC1=CN=C(CO)N=C1 H11473 [2,0,0,0,0,0|2,0,0]=4 257 B9R1.1 CC1=NC=C(CBr)C=C1 B46089 [2,0,0,0,0,0|2,0,0]=4 258 B9R1.1 CC1=NC=C(CCl)C=C1 C46111 [2,0,0,0,0,0|2,0,0]=4 259 B9R1.1 CC1=NC=C(CN)C=C1 M0572 [2,0,0,0,0,0|2,0,0]=4 260 B9R1.1 CC1=NC=C(CO)C=C1 M15722 [2,0,0,0,0,0|1,0,0]=3 261 B9R1.1 CC1=NC=C(CO)C=N1 H12381 [2,0,0,0,0,0|2,0,0]=4 262 B9R1.1 CCC1=CC=C(Br)C=C1 B68945 [2,0,0,0,0,0|1,0,0]=3 263 B9R1.1 CCC1=CC=C(Cl)C=C1 C49160 [2,0,0,0,0,0|1,0,0]=3 264 B9R1.1 CCC1=CC=C(I)C=C1 E49167 [2,0,0,0,0,0|1,0,0]=3 265 B9R1.1 CCC1=CC=C([Mg+])C=C1 E31741 [2,0,0,0,0,0|1,0,0]=3 266 B9R1.1 CCC1=CN=C(Cl)C=C1 C26331 [2,0,0,0,0,0|2,0,0]=4 267 B9R1.1 CCC1=CN=C(N)C=C1 E43600 [2,0,0,0,0,0|2,0,0]=4 268 B9R1.1 CCC1=NC=C(Br)C=C1 B1614 [2,0,0,0,0,0|2,0,0]=4 269 B9R1.1 CCC1=NC=C(Cl)C=C1 C46096 [2,0,0,0,0,0|2,0,0]=4 270 B9R1.1 CCC1=NC=C(N)C=C1 E43602 [2,0,0,0,0,0|2,0,0]=4 271 B9R1.1 CNC1=CC=C(Br)C=C1 B61266 [2,0,0,0,0,0|2,0,0]=4 272 B9R1.1 CNC1=CC=C(C)C=C1 D39432 [2,0,0,0,0,0|1,0,0]=3 273 B9R1.1 CNC1=CC=C(I)C=C1 K46120 [2,0,0,0,0,0|2,0,0]=4 274 B9R1.1 CNC1=CC=C(N)C=C1 M69627 [2,0,0,0,0,0|2,0,0]=4 275 B9R1.1 CNC1=CN=C(C)C=C1 D43616 [2,0,0,0,0,0|2,0,0]=4 276 B9R1.1 CNC1=NC=C(C)C=C1 D43614 [2,0,0,0,0,0|2,0,0]=4 277 B9R1.1 COC1=CC=C(S)C=C1 M46276 [2,0,0,0,0,0|1,1,0]=4 278 B9R1.1 COC1=CC=C([Mg+])C=C1 M31744 [2,0,0,0,0,0|2,0,0]=4 279 B9R1.1 COC1=NC=C(C)C=C1 M67554 [2,0,0,0,0,0|2,0,0]=4 280 B9R1.1 COC1=NC=C(O)C=C1 H43140 [2,0,0,0,0,0|2,0,0]=4 281 B9R1.1 CSC1=CC=C(I)C=C1 I38579 [2,0,0,0,0,0|2,0,0]=4 282 B9R1.1 CSC1=CC=C(O)C=C1 M67393 [2,0,0,0,0,0|1,0,0]=3 283 B9R1.1 CSC1=CC=C([Mg+])C=C1 M31771 [2,0,0,0,0,0|2,0,0]=4 284 B9R1.1 ClC1=CC=C(CBr)C=C1 B45158 [2,0,0,0,0,0|2,0,0]=4 285 B9R1.1 ClCC1=CC=C(Br)C=C1 B45160 [2,0,0,0,0,0|2,0,0]=4 286 B9R1.1 FC1=CC=C(C[Mg+])C=C1 F6777 [2,0,0,0,0,0|2,0,0]=4 287 B9R1.1 N#CC1=CC=C(O)C=C1 C64941 [2,0,0,0,0,0|1,0,1]=4 288 B9R1.1 NC1=CC=C(CO)C=C1 A36619 [2,0,0,0,0,0|1,0,0]=3 289 B9R1.1 NC1=NC=C(CO)C=C1 A0345 [2,0,0,0,0,0|2,0,0]=4 290 B9R1.1 NCC1=CC=C(Br)C=C1 B36612 [2,0,0,0,0,0|2,0,0]=4 291 B9R1.1 NCC1=CC=C(Br)C=C1 B46090 [2,0,0,0,0,0|2,0,0]=4 292 B9R1.1 NCC1=CC=C(Cl)C=C1 C46099 [2,0,0,0,0,0|2,0,0]=4 293 B9R1.1 NCC1=CC=C(I)C=C1 I36689 [2,0,0,0,0,0|2,0,0]=4 294 B9R1.1 NCC1=CC=C(I)C=C1 K46123 [2,0,0,0,0,0|2,0,0]=4 295 B9R1.1 NCC1=CC=C(N)C=C1 A46581 [2,0,0,0,0,0|2,0,0]=4 296 B9R1.1 NCC1=CC=C(O)C=C1 A67587 [2,0,0,0,0,0|1,0,0]=3 297 B9R1.1 O=C1C=CC(CO)=CN1 H37111 [2,0,0,0,0,0|2,0,0]=4 298 B9R1.1 OCC1=CC=C(Br)C=C1 B67585 [2,0,0,0,0,0|1,0,0]=3 299 B9R1.1 OCC1=CC=C(Cl)C=C1 C39406 [2,0,0,0,0,0|1,0,0]=3 300 B9R1.1 OCC1=CC=C(F)C=C1 F39409 [2,0,0,0,0,0|1,0,0]=3 301 B9R1.1 OCC1=CC=C(I)C=C1 I36662 [2,0,0,0,0,0|1,0,0]=3 302 B9R1.1 OCC1=CN=C(Br)C=C1 B12392 [2,0,0,0,0,0|2,0,0]=4 303 B9R1.1 OCC1=CN=C(Cl)C=C1 C9389 [2,0,0,0,0,0|2,0,0]=4 304 B9R1.1 OCC1=CN=C(F)C=C1 F13989 [2,0,0,0,0,0|2,0,0]=4 305 B9R1.1 OCC1=NC=C(Br)C=C1 B3203 [2,0,0,0,0,0|2,0,0]=4 306 B9R1.1 OCC1=NC=C(Cl)C=C1 C22297 [2,0,0,0,0,0|2,0,0]=4 307 B9R1.1 OCC1=NC=C(F)C=C1 F0644 [2,0,0,0,0,0|2,0,0]=4 308 B9R1.6 CC(C)C1=NC=CC=C1 I0627 [2,0,0,0,0,0|1,0,0]=3 309 B9R1.6 CN(C)C1=CC=NC=C1 P68104 [2,0,0,0,0,0|2,0,0]=4 310 B9R1.6 C[C@@H](N)C1=CC=CC=C1 P68072 [2,0,0,0,0,0|1,0,0]=3 311 B9R1.6 C[C@@H](N)C1=CC=CN=C1 P43620 [2,0,0,0,0,0|2,0,0]=4 312 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P43606 [2,0,0,0,0,0|2,0,0]=4 313 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P46584 [2,0,0,0,0,0|2,0,0]=4 314 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P43619 [2,0,0,0,0,0|2,0,0]=4 315 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P46583 [2,0,0,0,0,0|2,0,0]=4 316 B9R1.6 C[C@@H](O)C1=CC=CC=C1 P46824 [2,0,0,0,0,0|1,0,0]=3 317 B9R1.6 C[C@@H](O)C1=CC=NC=C1 P46383 [2,0,0,0,0,0|2,0,0]=4 318 B9R1.6 C[C@@H](O)C1=NC=CC=C1 P46382 [2,0,0,0,0,0|2,0,0]=4 319 B9R1.6 C[C@H](N)C1=CC=CC=C1 P68597 [2,0,0,0,0,0|1,0,0]=3 320 B9R1.6 C[C@H](N)C1=CC=CC=C1 P69271 [2,0,0,0,0,0|1,0,0]=3 321 B9R1.6 C[C@H](N)C1=CC=CN=C1 P43604 [2,0,0,0,0,0|2,0,0]=4 322 B9R1.6 C[C@H](N)C1=CC=CN=C1 P46585 [2,0,0,0,0,0|2,0,0]=4 323 B9R1.6 C[C@H](N)C1=CC=CN=C1 P61653 [2,0,0,0,0,0|2,0,0]=4 324 B9R1.6 C[C@H](N)C1=CC=NC=C1 P43607 [2,0,0,0,0,0|2,0,0]=4 325 B9R1.6 C[C@H](N)C1=CC=NC=C1 P46582 [2,0,0,0,0,0|2,0,0]=4 326 B9R1.6 C[C@H](N)C1=NC=CC=C1 P43621 [2,0,0,0,0,0|2,0,0]=4 327 B9R1.6 C[C@H](N)C1=NC=CC=C1 P66366 [2,0,0,0,0,0|2,0,0]=4 328 B9R1.6 C[C@H](O)C1=CC=CC=C1 P46823 [2,0,0,0,0,0|1,0,0]=3 329 B9R1.6 C[C@H](O)C1=CC=NC=C1 P38118 [2,0,0,0,0,0|2,0,0]=4 330 B9R1.6 C[C@H](O)C1=NC=CC=C1 P46375 [2,0,0,0,0,0|2,0,0]=4 331 B9R1.6 C[S@](=O)C1=CC=CC=C1 M61814 [2,0,0,0,0,0|2,0,0]=4 332 B11R1.83 C#CC1=CC=C(CCC)C=C1 E54480 [1,1,0,0,0,0|1,0,1]=4 333 B11R1.83 C#CC1=CC=C(OCC)C=C1 E52410 [1,1,0,0,0,0|1,0,1]=4 334 B11R1.83 CCC1=CC=C(CNC)C=C1 E53118 [1,1,0,0,0,0|1,0,0]=3 335 B11R1.83 CCC1=CN=C(CCO)C=C1 E39550 [1,1,0,0,0,0|1,0,0]=3 336 B11R1.83 CCCC1=CC=C(C=O)C=C1 P52777 [1,1,0,0,0,0|0,0,2]=4 337 B11R1.83 CCNC1=CC=C(C#N)C=C1 E49708 [1,1,0,0,0,0|1,0,1]=4 338 B11R1.83 CCOC1=CC=C(CN)C=C1 E50343 [1,1,0,0,0,0|1,0,0]=3 339 B11R1.83 CNCC1=CC=C(C#N)C=C1 M49716 [1,1,0,0,0,0|1,0,1]=4 340 B11R1.83 CNCC1=CC=C(OC)C=C1 M38582 [1,1,0,0,0,0|2,0,0]=4 341 B11R1.83 CNCC1=CC=C(OC)C=C1 M52172 [1,1,0,0,0,0|2,0,0]=4 342 B11R1.83 COC1=CC=C(CC#N)C=C1 M16235 [1,1,0,0,0,0|2,0,0]=4 343 B11R1.83 COC1=CC=C(CC=O)C=C1 M49894 [1,1,0,0,0,0|1,0,1]=4 344 B11R1.83 COC1=CC=C(CCO)C=C1 M67580 [1,1,0,0,0,0|1,0,0]=3 345 B11R1.83 COC1=CC=C(CC[Mg+])C=C1 M31722 [1,1,0,0,0,0|2,0,0]=4 346 B11R1.83 COC1=CC=C(CNN)C=C1 M0099 [1,1,0,0,0,0|2,0,0]=4 347 B11R1.83 COC1=CC=C(CNN)C=C1 M19471 [1,1,0,0,0,0|2,0,0]=4 348 B11R1.83 COC1=CC=C(CNN)C=C1 M23593 [1,1,0,0,0,0|2,0,0]=4 349 B11R1.83 COC1=CC=C(CON)C=C1 M10064 [1,1,0,0,0,0|1,0,0]=3 350 B11R1.83 COC1=CC=C(CON)C=C1 M38789 [1,1,0,0,0,0|1,0,0]=3 351 B11R1.83 N#CC1=CC=C(CCBr)C=C1 B36957 [1,1,0,0,0,0|1,0,1]=4 352 B11R1.83 N#CC1=CC=C(CCO)C=C1 H51763 [1,1,0,0,0,0|1,0,1]=4 353 B11R1.279 CCC1=CC(N)=C(OC)C=C1 E50338 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.279 CCC1=NC(N)=C(CO)C=N1 A43752 [1,1,0,0,0,0|2,0,0]=4 355 B11R1.279 COC1=C(Br)C=C(CO)C=C1 B49379 [1,1,0,0,0,0|1,0,0]=3 356 B11R1.279 COC1=C(Cl)C=C(CBr)C=C1 B49134 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.279 COC1=C(Cl)C=C(CN)C=C1 C46806 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.279 COC1=C(F)C=C(CBr)C=C1 B2649 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.279 COC1=C(F)C=C(CN)C=C1 F46816 [1,1,0,0,0,0|2,0,0]=4 360 B11R1.279 COC1=C(N)C=C(CO)C=C1 A37036 [1,1,0,0,0,0|1,0,0]=3 361 B11R1.279 COC1=C(O)C=C(CO)C=C1 H39431 [1,1,0,0,0,0|1,0,0]=3 362 B11R1.279 COC1=CC(N)=C(CO)C=C1 A46922 [1,1,0,0,0,0|1,0,0]=3 363 B11R1.279 COC1=CC=C(CO)C(Cl)=N1 C46142 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.279 N#CC1=C(F)C=C(CO)C=C1 F38070 [1,1,0,0,0,0|1,0,1]=4 365 B11R1.279 N#CC1=CC(Br)=C(CO)C=C1 B48079 [1,1,0,0,0,0|1,0,1]=4 366 B11R1.279 N#CC1=CC(F)=C(CO)C=C1 F67413 [1,1,0,0,0,0|1,0,1]=4 367 B11R1.279 O=CC1=C(O)C=C(CO)C=C1 H64562 [1,1,0,0,0,0|1,0,1]=4 368 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 B68078 [1,1,0,0,0,0|1,0,0]=3 369 B11R1.19 CC(C)(C)C1=CC=C(Cl)C=C1 B52874 [1,1,0,0,0,0|1,0,0]=3 370 B11R1.19 CC(C)(C)C1=CC=C(I)C=C1 B52875 [1,1,0,0,0,0|1,0,0]=3 371 B11R1.19 CC(C)(C)C1=CC=C(S)C=C1 B53106 [1,1,0,0,0,0|0,1,0]=3 372 B11R1.19 CC(C)(C)C1=CC=C([Mg+])C=C1 B31784 [1,1,0,0,0,0|1,0,0]=3 373 B11R1.19 CC(C)(O)C1=CC=C(Br)C=C1 B50148 [1,1,0,0,0,0|1,0,0]=3 374 B11R1.19 CC(F)(F)C1=CC=C(Br)C=C1 B48301 [1,1,0,0,0,0|2,0,0]=4 375 B11R1.19 CC1=CC=C(C(F)(F)F)C=C1 M48306 [1,1,0,0,0,0|2,0,0]=4 376 B11R1.19 CP(C)(=O)C1=CC=C(Br)C=C1 B62353 [1,1,0,0,0,0|2,0,0]=4 377 B11R1.19 CP(C)(=O)C1=CC=C(N)C=C1 A49544 [1,1,0,0,0,0|2,0,0]=4 378 B11R1.19 CS(=O)(=O)C1=CC=C(O)C=C1 M46269 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.19 C[Si](C)(C)C1=CC=C(Br)C=C1 B50305 [1,1,0,0,0,0|1,1,0]=4 380 B11R1.19 OC1=CC=C(C(F)(F)F)C=C1 T67426 [1,1,0,0,0,0|2,0,0]=4 381 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 B52032 [1,1,0,0,0,0|1,0,1]=4 382 B11R1.21 CC(=O)C1=CC(Br)=C(O)C=C1 B48581 [1,1,0,0,0,0|1,0,1]=4 383 B11R1.21 CC(=O)C1=CC(Cl)=C(C)C=C1 C61119 [1,1,0,0,0,0|1,0,1]=4 384 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 F48621 [1,1,0,0,0,0|1,0,1]=4 385 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 A50026 [1,1,0,0,0,0|1,0,1]=4 386 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 D68113 [1,1,0,0,0,0|1,0,1]=4 387 B11R1.21 CC(C)C1=NC(N)=C(Br)C=C1 B59688 [1,1,0,0,0,0|2,0,0]=4 388 B11R1.21 CC1=C(Cl)C=C([C@@H](C)N)C=C1 C61118 [1,1,0,0,0,0|1,0,0]=3 389 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 C50241 [1,1,0,0,0,0|1,0,0]=3 390 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 C61334 [1,1,0,0,0,0|1,0,0]=3 391 B11R1.21 CC1=C(Cl)C=CC([C@@H](C)N)=C1 C50246 [1,1,0,0,0,0|2,0,0]=4 392 B11R1.21 CC1=C(F)C=C([C@H](C)N)C=C1 F63759 [1,1,0,0,0,0|1,0,0]=3 393 B11R1.21 CC1=C(F)C=CC([C@H](C)N)=C1 F52150 [1,1,0,0,0,0|2,0,0]=4 394 B11R1.21 CC1=C(N)C=C([C@H](C)N)C=C1 A52256 [1,1,0,0,0,0|1,0,0]=3 395 B11R1.21 C[C@@H](N)C1=CC(Cl)=C(Cl)C=C1 D49232 [1,1,0,0,0,0|2,0,0]=4 396 B11R1.21 C[C@@H](N)C1=CC(Cl)=C(F)C=C1 C49241 [1,1,0,0,0,0|2,0,0]=4 397 B11R1.21 C[C@@H](N)C1=CC(F)=C(Cl)C=C1 C49243 [1,1,0,0,0,0|2,0,0]=4 398 B11R1.21 C[C@@H](N)C1=CC(F)=C(F)C=C1 D49250 [1,1,0,0,0,0|2,0,0]=4 399 B11R1.21 C[C@@H](N)C1=CC(F)=C(F)C=C1 D49637 [1,1,0,0,0,0|2,0,0]=4 400 B11R1.21 C[C@H](N)C1=CC(Br)=C(F)C=C1 B49225 [1,1,0,0,0,0|2,0,0]=4 401 B11R1.21 C[C@H](N)C1=CC(Cl)=C(Br)C=C1 B49221 [1,1,0,0,0,0|2,0,0]=4 402 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 B49227 [1,1,0,0,0,0|2,0,0]=4 403 B11R1.21 C[C@H](N)C1=CC(F)=C(Cl)C=C1 C49246 [1,1,0,0,0,0|2,0,0]=4 404 B11R1.21 C[C@H](N)C1=CC(F)=C(F)C=C1 D49642 [1,1,0,0,0,0|2,0,0]=4 405 B11R1.21 C[C@H](O)C1=CC(Cl)=C(Cl)C=C1 D49144 [1,1,0,0,0,0|2,0,0]=4 406 B11R1.21 C[C@H](O)C1=CC(F)=C(F)C=C1 D49155 [1,1,0,0,0,0|2,0,0]=4 407 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 B52024 [1,1,0,0,0,0|1,0,1]=4 408 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 A52107 [1,1,0,0,0,0|1,0,1]=4 409 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 A52174 [1,1,0,0,0,0|1,0,0]=3 410 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 T54185 [1,1,0,0,0,0|1,0,0]=3 411 B11R1.22 CC[C@@H](N)C1=CC=C(Cl)C=C1 C50244 [1,1,0,0,0,0|2,0,0]=4 412 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 F52146 [1,1,0,0,0,0|2,0,0]=4 413 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 B39008 [1,1,0,0,0,0|1,0,0]=3 414 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50231 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50235 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 C37034 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52142 [1,1,0,0,0,0|2,0,0]=4 418 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52149 [1,1,0,0,0,0|2,0,0]=4 419 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 B50237 [1,1,0,0,0,0|1,0,0]=3 420 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 C50248 [1,1,0,0,0,0|1,0,0]=3 421 B11R1.22 CN[C@H](C)C1=CC=C(Cl)C=C1 C50247 [1,1,0,0,0,0|1,0,0]=3 422 B11R1.22 COC(=O)C1=CC=C(C)C=C1 M60598 [1,1,0,0,0,0|1,0,1]=4 423 B11R1.22 C[C@@H](CN)C1=CC=C(O)C=C1 A28643 [1,1,0,0,0,0|0,0,0]=2 424 B11R1.22 C[C@H](C#N)C1=CC=C(Br)C=C1 B51451 [1,1,0,0,0,0|1,0,1]=4 425 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A38341 [1,1,0,0,0,0|2,0,0]=4 426 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A46796 [1,1,0,0,0,0|2,0,0]=4 427 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A46798 [1,1,0,0,0,0|2,0,0]=4 428 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 A46808 [1,1,0,0,0,0|2,0,0]=4 429 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 A46813 [1,1,0,0,0,0|2,0,0]=4 430 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 A46818 [1,1,0,0,0,0|2,0,0]=4 431 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 A49527 [1,1,0,0,0,0|1,0,0]=3 432 B11R1.22 N[C@H](CO)C1=CC=C(Br)C=C1 A46797 [1,1,0,0,0,0|2,0,0]=4 433 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 A46811 [1,1,0,0,0,0|2,0,0]=4 434 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 A46821 [1,1,0,0,0,0|2,0,0]=4 435 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 A49517 [1,1,0,0,0,0|2,0,0]=4 436 B11R1.22 N[C@H](CO)C1=CC=C(O)C=C1 A49528 [1,1,0,0,0,0|1,0,0]=3 437 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 C69024 [1,1,0,0,0,0|1,0,1]=4 438 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 B49377 [1,1,0,0,0,0|2,0,0]=4 439 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 B48579 [1,1,0,0,0,0|1,0,1]=4 440 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 D68875 [1,1,0,0,0,0|1,0,1]=4 441 B11R1.166 CC(=O)C1=C(C)C=C(O)C=C1 H49903 [1,1,0,0,0,0|1,0,1]=4 442 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 F48622 [1,1,0,0,0,0|1,0,1]=4 443 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 A50025 [1,1,0,0,0,0|1,0,1]=4 444 B11R1.166 CC(C)C1=C(O)C=C(N)C=C1 A67349 [1,1,0,0,0,0|1,0,0]=3 445 B11R1.166 CC(C)C1=C(O)C=C(O)C=C1 I38010 [1,1,0,0,0,0|0,0,0]=2 446 B11R1.166 CC1=CC(Br)=C(N(C)C)C=C1 B50229 [1,1,0,0,0,0|1,0,0]=3 447 B11R1.166 CC1=CC(C)=C([C@H](C)N)C=C1 D54187 [1,1,0,0,0,0|1,0,0]=3 448 B11R1.166 C[C@@H](N)C1=C(Br)C=C(F)C=C1 B49222 [1,1,0,0,0,0|2,0,0]=4 449 B11R1.166 C[C@@H](N)C1=C(Cl)C=C(Cl)C=C1 D49229 [1,1,0,0,0,0|2,0,0]=4 450 B11R1.166 C[C@@H](N)C1=C(F)C=C(Br)C=C1 B49223 [1,1,0,0,0,0|2,0,0]=4 451 B11R1.166 C[C@@H](N)C1=C(F)C=C(F)C=C1 D49249 [1,1,0,0,0,0|2,0,0]=4 452 B11R1.166 C[C@@H](N)C1=C(F)C=C(F)C=C1 D49634 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.166 C[C@H](N)C1=C(Br)C=C(F)C=C1 B49224 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 B49226 [1,1,0,0,0,0|2,0,0]=4 455 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 B63723 [1,1,0,0,0,0|2,0,0]=4 456 B11R1.166 C[C@H](N)C1=C(F)C=C(F)C=C1 D49252 [1,1,0,0,0,0|2,0,0]=4 457 B11R1.166 C[C@H](N)C1=C(F)C=C(F)C=C1 D49640 [1,1,0,0,0,0|2,0,0]=4 458 B11R1.166 C[C@H](O)C1=C(Cl)C=C(Cl)C=C1 D49143 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.45 CC(C)(C)C1=CSC(CO)=N1 B47067 [0,1,0,0,1,0|2,0,0]=4 460 B13R1.35 CC1=C(C#N)C=CC(OC(C)C)=C1 P54630 [0,1,0,0,0,1|1,0,1]=4 461 B13R1.36 COC1=CC=C([C@@H](O)C(C)C)C=C1 M54959 [0,1,0,0,0,1|2,0,0]=4 462 B13R1.585 CC(C)OC1=CC=C(B(O)O)C=C1 I3909 [0,1,0,0,0,1|1,0,0]=3 463 B13R1.585 CC(C)OC1=CC=C(C(=O)O)C=C1 P65244 [0,1,0,0,0,1|0,0,1]=3 464 B13R1.585 CC(C)OC1=NC=C(B(O)O)C=C1 P47011 [0,1,0,0,0,1|2,0,0]=4 465 B13R1.585 CC(C)OC1=NC=C(C(=O)O)C=C1 P50085 [0,1,0,0,0,1|1,0,1]=4 466 B13R1.585 CC(C)SC1=CC=C(B(O)O)C=C1 I3966 [0,1,0,0,0,1|1,0,0]=3 467 B13R1.585 CN(C)CC1=CC=C(B(O)O)C=C1 D26685 [0,1,0,0,0,1|2,0,0]=4 468 B13R1.585 CN(C)CC1=CC=C(B(O)O)C=C1 D50431 [0,1,0,0,0,1|2,0,0]=4 469 B13R1.585 CN(C)CC1=CC=C(C(=O)O)C=C1 D54167 [0,1,0,0,0,1|1,0,1]=4 470 B13R1.187 CC(C)(C#N)C1=CC=C(CBr)C=C1 B54513 [0,2,0,0,0,0|1,0,0]=3 471 B13R1.537 CN(C)C1=CC=C(C(=O)CBr)C=C1 B52773 [0,2,0,0,0,0|2,0,0]=4 472 B13R1.537 COC(=O)C1=CC=C([C@@H](C)N)C=C1 M64160 [0,2,0,0,0,0|1,0,1]=4 473 B13R1.537 COC(=O)C1=CC=C([C@H](C)Br)C=C1 M36739 [0,2,0,0,0,0|1,0,1]=4 474 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 M22446 [0,2,0,0,0,0|1,0,1]=4 475 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 M25458 [0,2,0,0,0,0|1,0,1]=4 476 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 M25631 [0,2,0,0,0,0|1,0,1]=4 477 B13R1.537 COC(=O)C1=CC=C([C@H](C)O)C=C1 M52832 [0,2,0,0,0,0|1,0,1]=4 478 B13R1.3088 COC(=O)C1=CC(F)=C(CO)C=C1 M51999 [0,2,0,0,0,0|1,0,1]=4 479 B13R1.38 NC1=C(CO)C=CC(C(F)(F)F)=C1 A49064 [0,2,0,0,0,0|2,0,0]=4 480 B13R1.38 OCC1=C(Br)C=C(C(F)(F)F)C=C1 B48262 [0,2,0,0,0,0|2,0,0]=4 481 B13R1.38 OCC1=C(Cl)C=C(C(F)(F)F)C=C1 C48281 [0,2,0,0,0,0|2,0,0]=4 482 B13R1.96 OCC1=CC(Br)=C(C(F)(F)F)C=C1 B63407 [0,2,0,0,0,0|2,0,0]=4 483 B13R1.96 OCC1=CC(F)=C(C(F)(F)F)C=C1 F48291 [0,2,0,0,0,0|2,0,0]=4 484 B13R1.140 CC(C)(C)C1=CC=C(CC#N)C=C1 B39677 [0,2,0,0,0,0|1,0,0]=3 485 B13R1.140 CC(C)(C)C1=CC=C(CCO)C=C1 B56216 [0,2,0,0,0,0|0,0,0]=2 486 B13R1.140 NOCC1=CC=C(C(F)(F)F)C=C1 T49621 [0,2,0,0,0,0|2,0,0]=4 487 B13R1.140 OCCC1=CC=C(C(F)(F)F)C=C1 T52049 [0,2,0,0,0,0|2,0,0]=4 488 B13R1.338 CC(=O)C1=CC=C(C(C)(C)C)C=C1 B69397 [0,2,0,0,0,0|0,0,2]=4 489 B13R1.338 CC(C)(C)C1=CC=C(B(O)O)C=C1 B2080 [0,2,0,0,0,0|1,0,0]=3 490 B13R1.338 CC(C)(C)C1=CC=C(C(=O)O)C=C1 B68985 [0,2,0,0,0,0|0,0,1]=3 491 B13R1.338 CC(C)(C)C1=CC=C(C(N)=O)C=C1 B54853 [0,2,0,0,0,0|0,0,2]=4 492 B13R1.338 CC(C)(C)C1=NC=C(C(=O)O)C=C1 B7810 [0,2,0,0,0,0|1,0,1]=4 493 B13R1.338 CC(C)(O)C1=CC=C(B(O)O)C=C1 H50390 [0,2,0,0,0,0|1,0,0]=3 494 B13R1.338 CC(C)C1=CC=C(S(=O)(=O)Cl)C=C1 P50129 [0,2,0,0,0,0|1,0,1]=4 495 B13R1.338 CN(C)C1=CC=C(S(=O)(=O)O)C=C1 D61526 [0,2,0,0,0,0|2,0,0]=4 496 B13R1.338 C[C@@H](N)C1=CC=C(C(F)(F)F)C=C1 T52075 [0,2,0,0,0,0|2,0,0]=4 497 B13R1.338 C[C@@H](O)C1=CC=C(C(F)(F)F)C=C1 T62414 [0,2,0,0,0,0|2,0,0]=4 498 B13R1.338 C[C@H](N)C1=CC=C(C(F)(F)F)C=C1 T60507 [0,2,0,0,0,0|2,0,0]=4 499 B13R1.338 C[C@H](O)C1=CC=C(C(F)(F)F)C=C1 T52051 [0,2,0,0,0,0|2,0,0]=4 500 B13R1.338 C[Si](C)(C)C1=CC=C(B(O)O)C=C1 T5630 [0,2,0,0,0,0|1,1,0]=4 501 B13R1.338 C[Si](C)(C)C1=CC=C(C(=O)O)C=C1 T61714 [0,2,0,0,0,0|0,1,1]=4 502 B13R1.120 CC(C)C1=C(Br)C=C([N+](=O)[O-])C=C1 B49793 [0,2,0,0,0,0|1,0,1]=4 503 B13R1.120 CC(C)C1=CC=C(B(O)O)C(Cl)=N1 C61837 [0,2,0,0,0,0|2,0,0]=4 504 B13R1.120 C[C@H](N)C1=CC(F)=C(C(=O)O)C=C1 A52078 [0,2,0,0,0,0|1,0,1]=4 505 B13R1.652 COC1=C(Br)C=C(C(C)C)C(F)=C1 B8182 [0,2,0,0,0,0|2,0,0]=4 506 B13R1.652 COC1=C(I)C=C(C(C)C)C(F)=C1 F14796 [0,2,0,0,0,0|2,0,0]=4 507 B13R1.3091 CCC1=C(CO)C=CC(C(C)=O)=C1 E62280 [0,2,0,0,0,0|1,0,1]=4 508 B11R2.190 C=CC1=CC2=C(C=C1)CC2 V52272 [1,0,0,1,0,0|1,0,1]=4 509 B11R2.190 O=CC1=CC2=C(C=C1)CC2 B51547 [1,0,0,1,0,0|0,0,2]=4 510 B11R2.190 OCC1=CC2=C(C=C1)CC2 B49878 [1,0,0,1,0,0|0,0,0]=2 511 B11R2.34 BrC1=CC=C(C2CC2)C=C1 B32033 [1,0,0,1,0,0|1,0,0]=3 512 B11R2.34 BrC1=CN=C(C2CC2)C=C1 B38917 [1,0,0,1,0,0|2,0,0]=4 513 B11R2.34 BrC1=NC=C(C2CC2)C=C1 B48875 [1,0,0,1,0,0|2,0,0]=4 514 B11R2.34 FC1=CC=C([C@@H]2CO2)C=C1 F62188 [1,0,0,1,0,0|2,0,0]=4 515 B11R2.34 FC1=NC=C(C2CC2)C=C1 C48887 [1,0,0,1,0,0|2,0,0]=4 516 B11R2.34 NC1=CC=C(C2CC2)C=C1 C52090 [1,0,0,1,0,0|1,0,0]=3 517 B11R2.34 NC1=CN=C(C2CC2)C=C1 C46642 [1,0,0,1,0,0|2,0,0]=4 518 B11R2.34 NC1=NC=C(C2CC2)C=C1 C46640 [1,0,0,1,0,0|2,0,0]=4 519 B11R2.34 OC1=CC=C(C2CC2)C=C1 C49871 [1,0,0,1,0,0|0,0,0]=2 520 B11R2.34 OC1=NC=C(C2CC2)C=C1 C37180 [1,0,0,1,0,0|1,0,0]=3 521 B13R2.2121 CC1=NC2=C(C=C(CO)C=C2)S1 M51870 [0,0,0,1,0,1|1,0,1]=4 522 B13R2.2121 CC1=NC2=C(C=CC(CO)=C2)O1 M51784 [0,0,0,1,0,1|1,0,1]=4 523 B13R2.2121 CN1C=C2C=C(CO)C=CC2=N1 H12811 [0,0,0,1,0,1|1,0,1]=4 524 B13R2.2121 CN1C=C2C=CC(CO)=CC2=N1 H12812 [0,0,0,1,0,1|2,0,0]=4 525 B13R2.186 N#CC1=CC=C(C2(N)CC2)C=C1 A54085 [0,1,0,1,0,0|1,0,1]=4 526 B13R2.2130 CN1C=NC2=C1C=CC(CO)=C2 M37392 [0,1,0,1,0,0|1,0,1]=4 527 B13R2.2130 CN1N=CC2=C1C=CC(CO)=C2 M9300 [0,1,0,1,0,0|1,0,1]=4 528 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCO2 M51629 [0,1,0,1,0,0|1,0,1]=4 529 B13R2.2396 N#CC1=C(Br)C=C(C2CC2)C=C1 B53718 [0,1,0,1,0,0|1,0,1]=4 530 B13R2.428 CC(=O)C1=CC=C(C2CC2)C=C1 C54539 [0,1,0,1,0,0|0,0,2]=4 531 B13R2.428 C[C@H](N)C1=CN=C(C2CC2)C=C1 C53028 [0,1,0,1,0,0|2,0,0]=4 532 B13R2.428 O=C(O)C1=CC=C(C2CC2)C=C1 C52431 [0,1,0,1,0,0|0,0,1]=3 533 B13R2.428 O=C(O)C1=CN=C(C2CC2)C=C1 C39101 [0,1,0,1,0,0|1,0,1]=4 534 B13R2.428 O=C(O)C1=NC=C(C2CC2)C=C1 C52236 [0,1,0,1,0,0|1,0,1]=4 535 B13R2.428 OB(O)C1=CC=C(C2CC2)C=C1 C61387 [0,1,0,1,0,0|1,0,0]=3 536 B13R2.428 OB(O)C1=CN=C(C2CC2)C=C1 C46772 [0,1,0,1,0,0|2,0,0]=4 537 B9R1.21 OCC1=CC=C(CO)O1 F69147 [1,0,0,0,1,0|2,0,0]=4 538 B9R1.35 CC1=CSC(C(C)C)=N1 P43783 [1,0,0,0,1,0|2,0,0]=4 539 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 A64153 [1,0,0,0,0,1|1,0,1]=4 540 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 B52869 [1,0,0,0,0,1|1,0,0]=3 541 B11R1.20 CC(C)NC1=CC=C(F)C=C1 F50250 [1,0,0,0,0,1|1,0,0]=3 542 B11R1.20 CC(C)OC1=CC=C(N)C=C1 P50334 [1,0,0,0,0,1|1,0,0]=3 543 B11R1.20 CC(C)OC1=CC=C(O)C=C1 P60509 [1,0,0,0,0,1|0,0,0]=2 544 B11R1.20 CC(C)OC1=CN=C(Cl)C=C1 C37509 [1,0,0,0,0,1|2,0,0]=4 545 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 B46786 [1,0,0,0,0,1|2,0,0]=4 546 B11R1.20 CC(C)OC1=NC=C(N)C=C1 P59792 [1,0,0,0,0,1|2,0,0]=4 547 B11R1.20 CC(C)OC1=NC=C(O)C=C1 P63580 [1,0,0,0,0,1|1,0,0]=3 548 B11R1.20 CC(C)SC1=CC=C(Br)C=C1 B49968 [1,0,0,0,0,1|1,0,0]=3 549 B11R1.20 CN(C)CC1=CC=C(N)C=C1 D24687 [1,0,0,0,0,1|2,0,0]=4 550 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 F36778 [1,0,0,0,0,1|2,0,0]=4 551 B11R1.20 OC1=CC=C(OC(F)F)C=C1 D38768 [1,0,0,0,0,1|2,0,0]=4 552 B11R1.266 CC(C)C1=CC=CC(C=O)=C1 P52779 [0,0,0,0,1,1|0,0,2]=4 553 B11R1.266 CC(C)C1=CC=CC(CBr)=C1 B11975 [0,0,0,0,1,1|1,0,0]=3 554 B11R1.266 CC(C)C1=NC=CC(C#N)=C1 P63847 [0,0,0,0,1,1|1,0,1]=4 555 B13R1.3 CC(C)COC1=CC=C(C=O)C=C1 B54765 [0,0,0,0,0,2|0,0,2]=4 556 B13R1.3 CC(C)COC1=CC=C(CN)C=C1 B57397 [0,0,0,0,0,2|1,0,0]=3