0 B11R1.166 CC(=O)C1=C(Br)C=C(Cl)C=C1 B48242 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 B48579 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 D68875 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.166 CC(=O)C1=C(C)C=C(O)C=C1 H49903 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.166 CC(=O)C1=C(Cl)C=C(Br)C=C1 B48244 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.166 CC(=O)C1=C(Cl)C=C(F)C=C1 C48277 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 B8298 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.166 CC(=O)C1=C(F)C=C(Cl)C=C1 C48275 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.166 CC(=O)C1=C(F)C=C(F)C=C1 D69359 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 F48622 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.166 CC(=O)C1=C(N)C=C(Br)C=C1 A49024 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 A50025 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.166 CC(=O)C1=C(N)C=C(Cl)C=C1 A49037 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.166 CC(=O)C1=C(O)C=C(Br)C=C1 B9402 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.166 CC(=O)C1=C(O)C=C(Cl)C=C1 C61332 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.166 CC(=O)C1=C(O)C=C(F)C=C1 F69072 [0,0,0,0,0,0|2,0,1]=3 16 B11R1.166 CC(=O)C1=C(O)C=C(N)C=C1 A49290 [0,0,0,0,0,0|2,0,1]=3 17 B11R1.166 CC(C)C1=C(N)N=C(Cl)N=C1 C37537 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.166 CC(C)C1=C(O)C=C(N)C=C1 A67349 [0,0,0,0,0,0|1,0,0]=1 19 B11R1.166 CC(C)C1=C(O)C=C(O)C=C1 I38010 [0,0,0,0,0,0|1,0,0]=1 20 B11R1.166 CC1=CC(Br)=C(C(=O)O)C=C1 B25317 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.166 CC1=CC(Br)=C(N(C)C)C=C1 B50229 [0,0,0,0,0,0|2,0,0]=2 22 B11R1.166 CC1=CC(C)=C(B(O)O)C=C1 D46940 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.166 CC1=CC(C)=C([C@H](C)N)C=C1 D54187 [0,0,0,0,0,0|2,0,0]=2 24 B11R1.166 CC1=CC(Cl)=C(B(O)O)C=C1 C2224 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=C1 C38447 [0,0,0,0,0,0|3,0,1]=4 26 B11R1.166 CC1=CC(Cl)=C([N+](=O)[O-])C=C1 C45360 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.166 CC1=CC(F)=C(B(O)O)C=C1 F7417 [0,0,0,0,0,0|4,0,0]=4 28 B11R1.166 CC1=CC(F)=C(C(=O)O)C=C1 F48610 [0,0,0,0,0,0|3,0,1]=4 29 B11R1.166 CC1=CC(F)=C([N+](=O)[O-])C=C1 M64928 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.166 CC1=CC(I)=C(C(=O)O)C=C1 K61454 [0,0,0,0,0,0|3,0,1]=4 31 B11R1.166 CC1=CC(N)=C(C(=O)O)C=C1 A49282 [0,0,0,0,0,0|3,0,1]=4 32 B11R1.166 CC1=CC(N)=C(C(N)=O)C=C1 A46651 [0,0,0,0,0,0|3,0,1]=4 33 B11R1.166 CC1=CC(N)=C([N+](=O)[O-])C=C1 M36624 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.166 CC1=CC(O)=C(B(O)O)C=C1 H7838 [0,0,0,0,0,0|3,0,0]=3 35 B11R1.166 CC1=CC(O)=C(C(=O)O)C=C1 M68144 [0,0,0,0,0,0|2,0,1]=3 36 B11R1.166 CC1=CC(O)=C(C(=O)O)C=N1 H39399 [0,0,0,0,0,0|3,0,1]=4 37 B11R1.166 CC1=CC(O)=C([N+](=O)[O-])C=C1 M39398 [0,0,0,0,0,0|3,0,0]=3 38 B11R1.166 CC1=NC(O)=C(C(=O)O)C=C1 H45847 [0,0,0,0,0,0|3,0,1]=4 39 B11R1.166 CC1=NC(O)=C([N+](=O)[O-])C=C1 M4747 [0,0,0,0,0,0|4,0,0]=4 40 B11R1.166 C[C@@H](N)C1=C(Br)C=C(F)C=C1 B49222 [0,0,0,0,0,0|3,0,0]=3 41 B11R1.166 C[C@@H](N)C1=C(Cl)C=C(Cl)C=C1 D49229 [0,0,0,0,0,0|3,0,0]=3 42 B11R1.166 C[C@@H](N)C1=C(F)C=C(Br)C=C1 B49223 [0,0,0,0,0,0|3,0,0]=3 43 B11R1.166 C[C@@H](N)C1=C(F)C=C(F)C=C1 D49249 [0,0,0,0,0,0|3,0,0]=3 44 B11R1.166 C[C@@H](N)C1=C(F)C=C(F)C=C1 D49634 [0,0,0,0,0,0|3,0,0]=3 45 B11R1.166 C[C@H](N)C1=C(Br)C=C(F)C=C1 B49224 [0,0,0,0,0,0|3,0,0]=3 46 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 B49226 [0,0,0,0,0,0|3,0,0]=3 47 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 B63723 [0,0,0,0,0,0|3,0,0]=3 48 B11R1.166 C[C@H](N)C1=C(F)C=C(F)C=C1 D49252 [0,0,0,0,0,0|3,0,0]=3 49 B11R1.166 C[C@H](N)C1=C(F)C=C(F)C=C1 D49640 [0,0,0,0,0,0|3,0,0]=3 50 B11R1.166 C[C@H](O)C1=C(Cl)C=C(Cl)C=C1 D49143 [0,0,0,0,0,0|3,0,0]=3 51 B11R1.166 C[C@H](O)C1=CC=C(Cl)N=C1Cl D63331 [0,0,0,0,0,0|4,0,0]=4 52 B11R1.166 NC(=O)C1=C(O)C=C(N)C=C1 A45996 [0,0,0,0,0,0|3,0,1]=4 53 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 A69652 [0,0,0,0,0,0|3,0,1]=4 54 B11R1.166 O=C(O)C1=C(O)C=C(Br)C=C1 B45112 [0,0,0,0,0,0|3,0,1]=4 55 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 F45124 [0,0,0,0,0,0|3,0,1]=4 56 B11R1.166 O=[N+]([O-])C1=C(O)C=C(Br)C=C1 B42264 [0,0,0,0,0,0|4,0,0]=4 57 B11R1.166 O=[N+]([O-])C1=C(O)C=C(Cl)C=C1 C42271 [0,0,0,0,0,0|4,0,0]=4 58 B11R1.166 O=[N+]([O-])C1=C(O)C=C(F)C=C1 F68100 [0,0,0,0,0,0|4,0,0]=4 59 B11R1.166 O=[N+]([O-])C1=C(O)C=C(I)C=C1 K42285 [0,0,0,0,0,0|4,0,0]=4 60 B11R1.166 O=[N+]([O-])C1=C(O)C=C(O)C=C1 N42613 [0,0,0,0,0,0|4,0,0]=4 61 B11R1.166 OB(O)C1=C(O)C=C(F)C=C1 F3214 [0,0,0,0,0,0|4,0,0]=4 62 B10R1.13 C=C(C)C1=CC=C(F)C=C1 F51670 [1,0,0,0,0,0|1,0,2]=4 63 B10R1.13 C=C(C)C1=CC=C(O)C=C1 P49877 [1,0,0,0,0,0|1,0,2]=4 64 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M68572 [1,0,0,0,0,0|1,0,1]=3 65 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C68865 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F38426 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.13 CC(=O)C1=CC=C(I)C=C1 K39500 [1,0,0,0,0,0|2,0,1]=4 68 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A68181 [1,0,0,0,0,0|2,0,1]=4 69 B10R1.13 CC(=O)C1=CC=C(O)C=C1 H64899 [1,0,0,0,0,0|2,0,1]=4 70 B10R1.13 CC(=O)C1=CN=C(C)C=C1 A23296 [1,0,0,0,0,0|2,0,1]=4 71 B10R1.13 CC(=O)C1=NC=C(C)C=C1 M49266 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.13 CC(C)C1=CC=C(Br)C=C1 B49963 [1,0,0,0,0,0|1,0,0]=2 73 B10R1.13 CC(C)C1=CC=C(N)C=C1 P69319 [1,0,0,0,0,0|1,0,0]=2 74 B10R1.13 CC(C)C1=CC=C(O)C=C1 P60863 [1,0,0,0,0,0|1,0,0]=2 75 B10R1.13 CC(C)C1=CC=C([Mg+])C=C1 P31759 [1,0,0,0,0,0|1,0,0]=2 76 B10R1.13 CC(C)C1=CN=C(Br)C=C1 B46728 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.13 CC(C)C1=CN=C(N)C=C1 P24474 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.13 CC(C)C1=NC=C(Br)C=C1 B32058 [1,0,0,0,0,0|2,0,0]=3 79 B10R1.13 CC(C)C1=NC=C(Br)C=N1 B13199 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.13 CC(C)C1=NC=C(N)C=C1 A12160 [1,0,0,0,0,0|2,0,0]=3 81 B10R1.13 CC1=CC=C(B(O)O)C=C1 T5215 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.13 CC1=CC=C(C(=N)N)C=C1 M38078 [1,0,0,0,0,0|2,0,1]=4 83 B10R1.13 CC1=CC=C(C(=O)O)C=C1 M64877 [1,0,0,0,0,0|2,0,1]=4 84 B10R1.13 CC1=CC=C(C(C)C)C=C1 D60786 [1,0,0,0,0,0|0,0,0]=1 85 B10R1.13 CC1=CC=C(C(N)=O)C=C1 M39514 [1,0,0,0,0,0|2,0,1]=4 86 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T52161 [1,0,0,0,0,0|1,0,0]=2 87 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T60511 [1,0,0,0,0,0|1,0,0]=2 88 B10R1.13 CC1=CC=C([C@@H](C)O)C=C1 T50271 [1,0,0,0,0,0|1,0,0]=2 89 B10R1.13 CC1=CC=C([S@](=O)[O-])C=C1 S38423 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 M65785 [1,0,0,0,0,0|2,0,0]=3 91 B10R1.13 CC1=CC=C([S@](N)=O)C=C1 M36646 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 M49667 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.13 CC1=NC=C([C@H](C)O)C=C1 H64312 [1,0,0,0,0,0|2,0,0]=3 94 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 C46751 [1,0,0,0,0,0|2,0,0]=3 95 B10R1.13 CN(C)C1=CC=C(I)C=C1 K46770 [1,0,0,0,0,0|2,0,0]=3 96 B10R1.13 CN(C)C1=CC=C([Mg+])C=C1 D31762 [1,0,0,0,0,0|2,0,0]=3 97 B10R1.13 CN(C)C1=CN=C(Br)C=C1 B46285 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.13 CN(C)C1=CN=C(Cl)C=C1 C46302 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.13 CN(C)C1=NC=C(Br)C=C1 B3355 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.13 CN(C)C1=NC=C(I)C=C1 K46311 [1,0,0,0,0,0|3,0,0]=4 101 B10R1.13 CN(C)C1=NC=C(N)C=C1 A12270 [1,0,0,0,0,0|3,0,0]=4 102 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 B38580 [1,0,0,0,0,0|2,0,0]=3 103 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 C64533 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 F46766 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 F49509 [1,0,0,0,0,0|2,0,0]=3 106 B10R1.13 C[C@@H](N)C1=CN=C(Br)C=C1 B63698 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.13 C[C@@H](N)C1=NC=C(F)C=C1 F46566 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 B49428 [1,0,0,0,0,0|2,0,0]=3 109 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 C49454 [1,0,0,0,0,0|2,0,0]=3 110 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 F49461 [1,0,0,0,0,0|2,0,0]=3 111 B10R1.13 C[C@H](Br)C1=CC=C(F)C=C1 B36983 [1,0,0,0,0,0|2,0,0]=3 112 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B46724 [1,0,0,0,0,0|2,0,0]=3 113 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B46735 [1,0,0,0,0,0|2,0,0]=3 114 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B65383 [1,0,0,0,0,0|2,0,0]=3 115 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 F36974 [1,0,0,0,0,0|2,0,0]=3 116 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 F64415 [1,0,0,0,0,0|2,0,0]=3 117 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 K46768 [1,0,0,0,0,0|2,0,0]=3 118 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 K46771 [1,0,0,0,0,0|2,0,0]=3 119 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 A46957 [1,0,0,0,0,0|2,0,0]=3 120 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 B46292 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 B46296 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F0635 [1,0,0,0,0,0|3,0,0]=4 123 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F46612 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 B49431 [1,0,0,0,0,0|2,0,0]=3 125 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49442 [1,0,0,0,0,0|2,0,0]=3 126 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49449 [1,0,0,0,0,0|2,0,0]=3 127 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 F49463 [1,0,0,0,0,0|2,0,0]=3 128 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 H46826 [1,0,0,0,0,0|2,0,0]=3 129 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 B63199 [1,0,0,0,0,0|3,0,0]=4 130 B10R1.13 FC(F)C1=CC=C(Cl)C=C1 C44732 [1,0,0,0,0,0|3,0,0]=4 131 B10R1.13 FC(F)C1=CC=C(I)C=C1 D44733 [1,0,0,0,0,0|3,0,0]=4 132 B10R1.13 NC1=CC=C(C(F)F)C=C1 D46546 [1,0,0,0,0,0|3,0,0]=4 133 B10R1.25 BrCC1=C(I)C=C(Br)C=C1 B44700 [1,0,0,0,0,0|3,0,0]=4 134 B10R1.25 CC1=C(CBr)C=CC(Br)=C1 B48758 [1,0,0,0,0,0|3,0,0]=4 135 B10R1.25 CC1=C(CF)C=CC(Br)=C1 B48770 [1,0,0,0,0,0|3,0,0]=4 136 B10R1.25 CC1=C(CN)C=CC(Br)=C1 B46736 [1,0,0,0,0,0|3,0,0]=4 137 B10R1.25 CC1=C(CN)C=CC(Br)=C1 B46744 [1,0,0,0,0,0|3,0,0]=4 138 B10R1.25 CC1=C(CO)C=CC(Br)=C1 B61046 [1,0,0,0,0,0|3,0,0]=4 139 B10R1.25 CC1=C(CO)C=CC(N)=C1 A39080 [1,0,0,0,0,0|3,0,0]=4 140 B10R1.25 CC1=CC(Br)=C(C#N)C=C1 B47945 [1,0,0,0,0,0|2,0,1]=4 141 B10R1.25 CC1=CC(Br)=C(C=O)C=C1 B48711 [1,0,0,0,0,0|2,0,1]=4 142 B10R1.25 CC1=CC(C)=C(C=O)C=C1 D49874 [1,0,0,0,0,0|2,0,1]=4 143 B10R1.25 CC1=CC(C)=C(CBr)C=C1 B49966 [1,0,0,0,0,0|2,0,0]=3 144 B10R1.25 CC1=CC(C)=C(CO)C=C1 D50273 [1,0,0,0,0,0|2,0,0]=3 145 B10R1.25 CC1=CC(C)=C(NN)C=C1 D49534 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.25 CC1=CC(Cl)=C(C#N)C=C1 C47960 [1,0,0,0,0,0|2,0,1]=4 147 B10R1.25 CC1=CC(Cl)=C(C=O)C=C1 C48726 [1,0,0,0,0,0|2,0,1]=4 148 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 C46753 [1,0,0,0,0,0|2,0,0]=3 149 B10R1.25 CC1=CC(F)=C(C#N)C=C1 F47972 [1,0,0,0,0,0|2,0,1]=4 150 B10R1.25 CC1=CC(F)=C(C=O)C=C1 F48737 [1,0,0,0,0,0|2,0,1]=4 151 B10R1.25 CC1=CC(N)=C(C#N)C=C1 A48781 [1,0,0,0,0,0|2,0,1]=4 152 B10R1.25 CC1=CC(N)=C(CO)C=C1 A46913 [1,0,0,0,0,0|2,0,0]=3 153 B10R1.25 CC1=CC(N)=C(CO)C=N1 A43644 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.25 CC1=CC(O)=C(C#N)C=C1 H48444 [1,0,0,0,0,0|1,0,1]=3 155 B10R1.25 CC1=CC(O)=C(C=O)C=C1 H38560 [1,0,0,0,0,0|1,0,1]=3 156 B10R1.25 CC1=CC=C(CBr)C(Br)=N1 B45763 [1,0,0,0,0,0|3,0,0]=4 157 B10R1.25 CC1=CN=C(CCl)C(C)=C1 C38639 [1,0,0,0,0,0|3,0,0]=4 158 B10R1.25 CC1=CN=C(CO)C(C)=C1 D46914 [1,0,0,0,0,0|3,0,0]=4 159 B10R1.25 CC1=NC(C)=C(CO)C=C1 D64003 [1,0,0,0,0,0|3,0,0]=4 160 B10R1.25 CCC1=C(Cl)C=C(N)C=C1 C46746 [1,0,0,0,0,0|2,0,0]=3 161 B10R1.25 CCC1=C(F)C=C(O)C=C1 E65621 [1,0,0,0,0,0|2,0,0]=3 162 B10R1.25 CCC1=C(N)C=C(Br)C=C1 B46721 [1,0,0,0,0,0|2,0,0]=3 163 B10R1.25 CCC1=C(N)C=C(Cl)C=C1 C46745 [1,0,0,0,0,0|2,0,0]=3 164 B10R1.25 CCC1=NC=C(Br)C=C1N A11260 [1,0,0,0,0,0|3,0,0]=4 165 B10R1.25 CCN1C=CC(Br)=CC1=O B15236 [1,0,0,0,0,0|2,0,1]=4 166 B10R1.25 CCN1C=CC(N)=CC1=O A27174 [1,0,0,0,0,0|2,0,1]=4 167 B10R1.25 CCN1C=CC(N)=CC1=O A7787 [1,0,0,0,0,0|2,0,1]=4 168 B10R1.25 CNC1=C(Br)C=C(C)C=C1 B46730 [1,0,0,0,0,0|2,0,0]=3 169 B10R1.25 CNC1=C(N)C=C(Br)C=C1 B46287 [1,0,0,0,0,0|3,0,0]=4 170 B10R1.25 CNC1=C(N)C=C(Cl)C=C1 C46303 [1,0,0,0,0,0|3,0,0]=4 171 B10R1.25 COC1=C(Br)C=C(C)C=N1 B46168 [1,0,0,0,0,0|3,0,0]=4 172 B10R1.25 COC1=C(Br)C=C(Cl)C=C1 B39392 [1,0,0,0,0,0|3,0,0]=4 173 B10R1.25 COC1=C(Br)C=C(F)C=C1 B39393 [1,0,0,0,0,0|3,0,0]=4 174 B10R1.25 COC1=C(Br)C=C(I)C=C1 B45584 [1,0,0,0,0,0|3,0,0]=4 175 B10R1.25 COC1=C(Br)C=C(N)C=C1 B46154 [1,0,0,0,0,0|3,0,0]=4 176 B10R1.25 COC1=C(Br)C=C(O)C=C1 B45899 [1,0,0,0,0,0|3,0,0]=4 177 B10R1.25 COC1=C(C)C=C(Br)C=C1 B49440 [1,0,0,0,0,0|3,0,0]=4 178 B10R1.25 COC1=C(C)C=C(C)C=C1 D50266 [1,0,0,0,0,0|2,0,0]=3 179 B10R1.25 COC1=C(C)C=C(F)C=C1 F49467 [1,0,0,0,0,0|3,0,0]=4 180 B10R1.25 COC1=C(C)C=C(I)C=C1 K49474 [1,0,0,0,0,0|3,0,0]=4 181 B10R1.25 COC1=C(C)C=C(N)C=C1 M46909 [1,0,0,0,0,0|3,0,0]=4 182 B10R1.25 COC1=C(C)C=C(O)C=C1 M38275 [1,0,0,0,0,0|3,0,0]=4 183 B10R1.25 COC1=C(C)C=C([Mg+])C=C1 M31769 [1,0,0,0,0,0|3,0,0]=4 184 B10R1.25 COC1=C(Cl)C=C(Br)C=C1 B45564 [1,0,0,0,0,0|3,0,0]=4 185 B10R1.25 COC1=C(Cl)C=C(C)C=N1 C46202 [1,0,0,0,0,0|3,0,0]=4 186 B10R1.25 COC1=C(F)C=C(Br)C=C1 B13752 [1,0,0,0,0,0|3,0,0]=4 187 B10R1.25 COC1=C(F)C=C(I)C=C1 F45610 [1,0,0,0,0,0|3,0,0]=4 188 B10R1.25 COC1=C(F)C=C(N)C=C1 F38501 [1,0,0,0,0,0|3,0,0]=4 189 B10R1.25 COC1=C(F)C=C(O)C=C1 F23734 [1,0,0,0,0,0|3,0,0]=4 190 B10R1.25 COC1=C(F)C=C([Mg+])C=C1 F31773 [1,0,0,0,0,0|3,0,0]=4 191 B10R1.25 COC1=C(I)C=C(Br)C=C1 B38589 [1,0,0,0,0,0|3,0,0]=4 192 B10R1.25 COC1=C(I)C=C(C)C=C1 K62337 [1,0,0,0,0,0|2,0,0]=3 193 B10R1.25 COC1=C(I)C=C(Cl)C=C1 C45602 [1,0,0,0,0,0|3,0,0]=4 194 B10R1.25 COC1=C(I)C=C(N)C=C1 K46229 [1,0,0,0,0,0|3,0,0]=4 195 B10R1.25 COC1=C(I)C=C(N)C=C1 K46231 [1,0,0,0,0,0|3,0,0]=4 196 B10R1.25 COC1=C(N)C=C(Br)C=C1 B46157 [1,0,0,0,0,0|3,0,0]=4 197 B10R1.25 COC1=C(N)C=C(F)C=C1 F46211 [1,0,0,0,0,0|3,0,0]=4 198 B10R1.25 COC1=C(N)C=C(I)C=C1 A46224 [1,0,0,0,0,0|3,0,0]=4 199 B10R1.25 COC1=C(O)C=C(Br)C=C1 B37821 [1,0,0,0,0,0|2,0,0]=3 200 B10R1.25 COC1=C(O)C=C(F)C=C1 F45919 [1,0,0,0,0,0|2,0,0]=3 201 B10R1.25 COC1=C(O)C=C(N)C=C1 A46397 [1,0,0,0,0,0|2,0,0]=3 202 B10R1.25 COC1=C(O)C=C(O)C=C1 M61053 [1,0,0,0,0,0|2,0,0]=3 203 B10R1.25 COC1=C([Mg+])C=C(C)C=C1 M31765 [1,0,0,0,0,0|2,0,0]=3 204 B10R1.25 COC1=C([Mg+])C=C(Cl)C=C1 C31793 [1,0,0,0,0,0|3,0,0]=4 205 B10R1.25 COC1=C([Mg+])C=C(F)C=C1 F31774 [1,0,0,0,0,0|3,0,0]=4 206 B10R1.25 COC1=CC=C(C)N=C1Br B3731 [1,0,0,0,0,0|3,0,0]=4 207 B10R1.25 COC1=CC=C(C)N=C1Cl C46200 [1,0,0,0,0,0|3,0,0]=4 208 B10R1.25 COC1=NC=C(Br)C=C1O B10651 [1,0,0,0,0,0|3,0,0]=4 209 B10R1.25 ClC1=C(CBr)C=CC(Br)=C1 B44691 [1,0,0,0,0,0|3,0,0]=4 210 B10R1.25 ClC1=CC(Cl)=C(CBr)C=C1 B38059 [1,0,0,0,0,0|3,0,0]=4 211 B10R1.25 FC1=C(CBr)C=CC(Br)=C1 B39350 [1,0,0,0,0,0|3,0,0]=4 212 B10R1.25 FC1=CC(Br)=C(CBr)C=C1 B44692 [1,0,0,0,0,0|3,0,0]=4 213 B10R1.25 FC1=CC(Cl)=C(CBr)C=C1 B44714 [1,0,0,0,0,0|3,0,0]=4 214 B10R1.25 FC1=CC(F)=C(CBr)C=C1 B44724 [1,0,0,0,0,0|3,0,0]=4 215 B10R1.25 N#CC1=C(O)C=C(Br)C=C1 B36608 [1,0,0,0,0,0|2,0,1]=4 216 B10R1.25 N#CC1=C(O)C=C(Cl)C=C1 C44534 [1,0,0,0,0,0|2,0,1]=4 217 B10R1.25 N#CC1=C(O)C=C(F)C=C1 F44548 [1,0,0,0,0,0|2,0,1]=4 218 B10R1.25 N#CC1=C(O)C=C(O)C=C1 D24706 [1,0,0,0,0,0|2,0,1]=4 219 B10R1.25 NC1=C(CO)C=CC(Br)=C1 A46164 [1,0,0,0,0,0|3,0,0]=4 220 B10R1.25 NC1=C(CO)C=CC(Cl)=C1 A46195 [1,0,0,0,0,0|3,0,0]=4 221 B10R1.25 NCC1=C(Br)C=C(Cl)C=C1 B45767 [1,0,0,0,0,0|3,0,0]=4 222 B10R1.25 NCC1=C(Cl)C=C(Cl)C=C1 D45792 [1,0,0,0,0,0|3,0,0]=4 223 B10R1.25 NCC1=C(Cl)C=C(F)C=C1 C68851 [1,0,0,0,0,0|3,0,0]=4 224 B10R1.25 NCC1=C(F)C=C(Br)C=C1 B45781 [1,0,0,0,0,0|3,0,0]=4 225 B10R1.25 NCC1=C(F)C=C(Cl)C=C1 C63109 [1,0,0,0,0,0|3,0,0]=4 226 B10R1.25 NCC1=C(F)C=C(F)C=C1 D38872 [1,0,0,0,0,0|3,0,0]=4 227 B10R1.25 NCC1=C(O)C=C(Br)C=C1 A46159 [1,0,0,0,0,0|2,0,0]=3 228 B10R1.25 O=CC1=C(O)C=C(Cl)C=C1 C45094 [1,0,0,0,0,0|2,0,1]=4 229 B10R1.25 O=CC1=C(O)C=C(F)C=C1 F23204 [1,0,0,0,0,0|2,0,1]=4 230 B10R1.25 O=CC1=C(O)C=C(O)C=C1 D67877 [1,0,0,0,0,0|2,0,1]=4 231 B10R1.25 OCC1=C(Br)C=C(Br)C=C1 D45544 [1,0,0,0,0,0|3,0,0]=4 232 B10R1.25 OCC1=C(Br)C=C(F)C=C1 B45567 [1,0,0,0,0,0|3,0,0]=4 233 B10R1.25 OCC1=C(Br)C=C(O)C=C1 B45904 [1,0,0,0,0,0|3,0,0]=4 234 B10R1.25 OCC1=C(Cl)C=C(Cl)C=C1 D63315 [1,0,0,0,0,0|3,0,0]=4 235 B10R1.25 OCC1=C(Cl)C=C(F)C=C1 C45594 [1,0,0,0,0,0|3,0,0]=4 236 B10R1.25 OCC1=C(F)C=C(Br)C=C1 B61349 [1,0,0,0,0,0|3,0,0]=4 237 B10R1.25 OCC1=C(F)C=C(Cl)C=C1 C45596 [1,0,0,0,0,0|3,0,0]=4 238 B10R1.25 OCC1=C(F)C=C(F)C=C1 D45607 [1,0,0,0,0,0|3,0,0]=4 239 B10R1.25 OCC1=C(F)C=C(O)C=C1 F38990 [1,0,0,0,0,0|3,0,0]=4 240 B10R1.25 OCC1=C(O)C=C(Br)C=C1 B38232 [1,0,0,0,0,0|2,0,0]=3 241 B10R1.61 C=C(C)C1=C(N)C=CC=C1 P49976 [1,0,0,0,0,0|1,0,2]=4 242 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 B48708 [1,0,0,0,0,0|2,0,1]=4 243 B10R1.61 CC(=O)C1=C(C)C=CC=C1 T39529 [1,0,0,0,0,0|2,0,1]=4 244 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 C68333 [1,0,0,0,0,0|2,0,1]=4 245 B10R1.61 CC(=O)C1=C(F)C=CC=C1 F69325 [1,0,0,0,0,0|2,0,1]=4 246 B10R1.61 CC(=O)C1=C(I)C=CC=C1 K48750 [1,0,0,0,0,0|2,0,1]=4 247 B10R1.61 CC(=O)C1=C(N)C=CC=C1 A49645 [1,0,0,0,0,0|2,0,1]=4 248 B10R1.61 CC(=O)C1=C(O)C=NC=C1 H45819 [1,0,0,0,0,0|2,0,1]=4 249 B10R1.61 CC(=O)C1=NC=CC=C1O H37046 [1,0,0,0,0,0|2,0,1]=4 250 B10R1.61 CC(C)C1=C(Br)C=CC=C1 B49961 [1,0,0,0,0,0|1,0,0]=2 251 B10R1.61 CC(C)C1=C(I)C=CC=C1 K49972 [1,0,0,0,0,0|1,0,0]=2 252 B10R1.61 CC(C)C1=C(N)C=CN=C1 P46960 [1,0,0,0,0,0|2,0,0]=3 253 B10R1.61 CC(C)C1=C([Mg+])C=CC=C1 P31757 [1,0,0,0,0,0|1,0,0]=2 254 B10R1.61 CC(C)C1=CC=CN=C1Br B32081 [1,0,0,0,0,0|2,0,0]=3 255 B10R1.61 CC(C)C1=CC=CN=C1Cl C36678 [1,0,0,0,0,0|2,0,0]=3 256 B10R1.61 CC(C)C1=CN=CN=C1Cl C37692 [1,0,0,0,0,0|3,0,0]=4 257 B10R1.61 CC(C)C1=NC=CC=C1N P46959 [1,0,0,0,0,0|2,0,0]=3 258 B10R1.61 CC1=C([C@@H](C)N)C=CC=C1 T52160 [1,0,0,0,0,0|2,0,0]=3 259 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 T52162 [1,0,0,0,0,0|2,0,0]=3 260 B10R1.61 CN(C)C1=C(Br)C=CC=C1 B46731 [1,0,0,0,0,0|2,0,0]=3 261 B10R1.61 CN(C)C1=C(Cl)C=CC=C1 C46747 [1,0,0,0,0,0|2,0,0]=3 262 B10R1.61 CN(C)C1=C(N)C=CC=C1 D68123 [1,0,0,0,0,0|2,0,0]=3 263 B10R1.61 CN(C)C1=C(O)C=CC=C1 D23348 [1,0,0,0,0,0|1,0,0]=2 264 B10R1.61 C[C@@H](N)C1=C(Br)C=CC=C1 B37416 [1,0,0,0,0,0|2,0,0]=3 265 B10R1.61 C[C@@H](N)C1=C(Br)C=CC=C1 B46741 [1,0,0,0,0,0|2,0,0]=3 266 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 F46764 [1,0,0,0,0,0|2,0,0]=3 267 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 F49507 [1,0,0,0,0,0|2,0,0]=3 268 B10R1.61 C[C@@H](O)C1=C(Br)C=CC=C1 B25268 [1,0,0,0,0,0|2,0,0]=3 269 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 C49446 [1,0,0,0,0,0|2,0,0]=3 270 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 F49460 [1,0,0,0,0,0|2,0,0]=3 271 B10R1.61 C[C@H](Br)C1=C(F)C=CC=C1 B48765 [1,0,0,0,0,0|2,0,0]=3 272 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 B19470 [1,0,0,0,0,0|2,0,0]=3 273 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 B46723 [1,0,0,0,0,0|2,0,0]=3 274 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 B46742 [1,0,0,0,0,0|2,0,0]=3 275 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 C46756 [1,0,0,0,0,0|2,0,0]=3 276 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 F46760 [1,0,0,0,0,0|2,0,0]=3 277 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 F49510 [1,0,0,0,0,0|2,0,0]=3 278 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 F64880 [1,0,0,0,0,0|2,0,0]=3 279 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 B49429 [1,0,0,0,0,0|2,0,0]=3 280 B10R1.61 C[C@H](O)C1=C(Br)C=CC=N1 B37274 [1,0,0,0,0,0|3,0,0]=4 281 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 C49448 [1,0,0,0,0,0|2,0,0]=3 282 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 C66089 [1,0,0,0,0,0|2,0,0]=3 283 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 F49462 [1,0,0,0,0,0|2,0,0]=3 284 B10R1.61 C[C@H](O)C1=C(F)C=NC=C1 F46213 [1,0,0,0,0,0|3,0,0]=4 285 B10R1.61 C[C@H](O)C1=C(N)N=CC=C1 A65242 [1,0,0,0,0,0|3,0,0]=4 286 B10R1.61 C[C@H](O)C1=CC=CN=C1Cl C46191 [1,0,0,0,0,0|3,0,0]=4 287 B10R1.61 FC(F)C1=C(Br)C=CC=C1 B67317 [1,0,0,0,0,0|3,0,0]=4 288 B10R1.61 OB(O)C1=C(O)C=CC=C1 H3736 [1,0,0,0,0,0|3,0,0]=4 289 B10R1.61 OC1=C(C(F)F)C=CC=C1 D37751 [1,0,0,0,0,0|2,0,0]=3 290 B12R1.57 CC1=CC(CO)=C([N+](=O)[O-])C=C1 M63458 [0,1,0,0,0,0|3,0,0]=4 291 B12R1.57 COC1=C(C(=O)O)C=CC(C)=C1 M49919 [0,1,0,0,0,0|2,0,1]=4 292 B12R1.57 COC1=C(C(C)=O)C=CC(Br)=C1 B38809 [0,1,0,0,0,0|2,0,1]=4 293 B12R1.57 COC1=C(C(C)=O)C=CC(F)=C1 F51948 [0,1,0,0,0,0|2,0,1]=4 294 B12R1.57 COC1=C(C(C)=O)C=CC(N)=C1 A50071 [0,1,0,0,0,0|2,0,1]=4 295 B12R1.57 COC1=C([N+](=O)[O-])C=CC(C)=C1 M68557 [0,1,0,0,0,0|3,0,0]=4 296 B12R1.126 CC(C)(C)C1=C(Br)C=C(N)C=C1 B53064 [0,1,0,0,0,0|2,0,0]=3 297 B12R1.126 CC(C)(N)C1=C(Cl)C=C(Cl)C=C1 D50015 [0,1,0,0,0,0|2,0,0]=3 298 B12R1.126 CC1=CC(Cl)=C(C(F)(F)F)C=C1 C47853 [0,1,0,0,0,0|3,0,0]=4 299 B12R1.126 CC1=CC(O)=C(C(C)(C)C)C=C1 B54949 [0,1,0,0,0,0|0,0,0]=1 300 B12R1.126 OC1=C(C(F)(F)F)C=CC(Br)=C1 B44652 [0,1,0,0,0,0|3,0,0]=4 301 B12R1.232 CC(=O)C1=C(O)C=C(O)C(O)=C1 T49116 [0,1,0,0,0,0|2,0,1]=4 302 B12R1.232 CC(=O)C1=CC(F)=C(Br)C=C1O B48153 [0,1,0,0,0,0|2,0,1]=4 303 B12R1.232 CC1=C(Br)C=C([N+](=O)[O-])C(O)=C1 B45406 [0,1,0,0,0,0|3,0,0]=4 304 B12R1.232 CC1=C(Cl)C=C([N+](=O)[O-])C(O)=C1 C62449 [0,1,0,0,0,0|3,0,0]=4 305 B12R1.452 CC1=C(N(C)C)C=CC(C=O)=C1 D52927 [0,1,0,0,0,0|2,0,1]=4 306 B12R1.452 COC1=CC(Cl)=C(C(C)=O)C=C1 C51927 [0,1,0,0,0,0|2,0,1]=4 307 B12R1.452 COC1=CC(F)=C(C(C)=O)C=C1 F15561 [0,1,0,0,0,0|2,0,1]=4 308 B12R1.452 COC1=CC(F)=C(C(C)C)C=C1 F15562 [0,1,0,0,0,0|1,0,0]=2 309 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 F52154 [0,1,0,0,0,0|2,0,0]=3 310 B12R1.452 COC1=CC(N)=C(C(C)=O)C=C1 A61340 [0,1,0,0,0,0|2,0,1]=4 311 B12R1.452 COC1=CC(O)=C(C(=O)O)C=C1 H49115 [0,1,0,0,0,0|2,0,1]=4 312 B12R1.452 COC1=CC(O)=C(C(=O)[O-])C=C1 P46627 [0,1,0,0,0,0|2,0,1]=4 313 B12R1.452 COC1=CC(O)=C(C(C)=O)C=C1 H1583 [0,1,0,0,0,0|1,0,1]=3 314 B12R1.452 COC1=CC(O)=C([N+](=O)[O-])C=C1 M45859 [0,1,0,0,0,0|3,0,0]=4 315 B12R1.452 O=[N+]([O-])C1=C(O)C=C(CO)C=C1 H65292 [0,1,0,0,0,0|3,0,0]=4 316 B12R1.1000 CC(=O)C1=C(C)C=C(C)C=C1C T62393 [0,1,0,0,0,0|2,0,1]=4 317 B12R1.1000 CC(=O)C1=C(F)C=C(Cl)C=C1O C48179 [0,1,0,0,0,0|2,0,1]=4 318 B12R1.1000 CC1=CC(C)=C([C@H](C)N)C(C)=C1 M54976 [0,1,0,0,0,0|2,0,0]=3 319 B12R1.1000 CC1=CC(O)=C(C(=O)O)C(C)=C1 H63791 [0,1,0,0,0,0|2,0,1]=4 320 B12R1.1000 C[C@H](O)C1=C(F)C=C(Br)C=C1F B37382 [0,1,0,0,0,0|3,0,0]=4 321 B12R1.1000 C[C@H](O)C1=C(F)C=C(F)C=C1F T48746 [0,1,0,0,0,0|3,0,0]=4 322 B12R1.1703 CC[C@H](N)C1=C(C)C=C(C)C=C1 D55527 [0,1,0,0,0,0|2,0,0]=3 323 B12R1.1703 COC(=O)C1=C(Br)C=C(C)C=C1 M51893 [0,1,0,0,0,0|2,0,1]=4 324 B12R1.1703 COC(=O)C1=C(C)C=C(C)C=C1 M52792 [0,1,0,0,0,0|2,0,1]=4 325 B12R1.1703 COC(=O)C1=C(N)C=C(C)C=C1 M60968 [0,1,0,0,0,0|2,0,1]=4 326 B12R1.1703 COC(=O)C1=C(O)C=C(Br)C=C1 M36676 [0,1,0,0,0,0|2,0,1]=4 327 B12R1.1703 COC(=O)C1=C(O)C=C(C)C=C1 M69045 [0,1,0,0,0,0|1,0,1]=3 328 B12R1.1703 COC(=O)C1=C(O)C=C(Cl)C=C1 M48663 [0,1,0,0,0,0|2,0,1]=4 329 B12R1.1703 COC(=O)C1=C(O)C=C(F)C=C1 M48683 [0,1,0,0,0,0|2,0,1]=4 330 B12R1.1703 COC(=O)C1=C(O)C=C(I)C=C1 M48694 [0,1,0,0,0,0|2,0,1]=4 331 B12R1.1703 COC(=O)C1=C(O)C=C(N)C=C1 M69042 [0,1,0,0,0,0|2,0,1]=4 332 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 M39507 [0,1,0,0,0,0|2,0,1]=4 333 B12R1.1703 N[C@@H](CO)C1=C(Cl)C=C(Cl)C=C1 A49365 [0,1,0,0,0,0|3,0,0]=4 334 B12R1.1703 N[C@@H](CO)C1=C(Cl)C=C(Cl)C=C1 A49368 [0,1,0,0,0,0|3,0,0]=4 335 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 M52405 [0,0,0,1,0,0|2,0,1]=4 336 B12R2.612 CC1=CC2=C(C=C1)C(=O)NO2 M48466 [0,0,0,1,0,0|2,0,1]=4 337 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 M52880 [0,0,0,1,0,0|2,0,0]=3 338 B12R2.612 CC1=NOC2=C1C=CC(Br)=C2 B48075 [0,0,0,1,0,0|2,0,1]=4 339 B12R2.612 CC1=NOC2=C1C=CC(O)=C2 M39002 [0,0,0,1,0,0|2,0,1]=4 340 B12R2.612 N[C@@H]1CCC2=C1C=CC(Br)=C2 B38120 [0,0,0,1,0,0|3,0,0]=4 341 B12R2.612 N[C@@H]1CCC2=C1C=CC(Cl)=C2 C49774 [0,0,0,1,0,0|3,0,0]=4 342 B12R2.612 N[C@@H]1CCC2=C1C=CC(F)=C2 F52068 [0,0,0,1,0,0|3,0,0]=4 343 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B36894 [0,0,0,1,0,0|3,0,0]=4 344 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B63483 [0,0,0,1,0,0|3,0,0]=4 345 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B63647 [0,0,0,1,0,0|3,0,0]=4 346 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B63729 [0,0,0,1,0,0|3,0,0]=4 347 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 C49775 [0,0,0,1,0,0|3,0,0]=4 348 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 C49782 [0,0,0,1,0,0|3,0,0]=4 349 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 C69644 [0,0,0,1,0,0|3,0,0]=4 350 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 F52071 [0,0,0,1,0,0|3,0,0]=4 351 B12R2.612 N[C@H]1COC2=C1C=CC(Br)=C2 B37370 [0,0,0,1,0,0|2,0,0]=3 352 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 C49046 [0,0,0,1,0,0|2,0,0]=3 353 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 F49618 [0,0,0,1,0,0|2,0,0]=3 354 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 B47765 [0,0,0,1,0,0|2,0,1]=4 355 B12R2.612 O=C1COC2=C1C=CC(O)=C2 H48209 [0,0,0,1,0,0|2,0,1]=4 356 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 B52029 [0,0,0,1,0,0|3,0,0]=4 357 B12R2.612 O[C@H]1CCC2=C1C=CC(Cl)=C2 C52041 [0,0,0,1,0,0|3,0,0]=4 358 B12R2.612 O[C@H]1CCC2=C1C=CC(F)=C2 F52046 [0,0,0,1,0,0|3,0,0]=4 359 B12R2.612 O[C@H]1COC2=C1C=CC(Br)=C2 B48578 [0,0,0,1,0,0|2,0,0]=3 360 B12R2.1317 FC1=CC(I)=C(C2CC2)C=N1 C37644 [0,0,0,1,0,0|3,0,0]=4 361 B10R1.59 CC1=NN(C(C)C)C(N)=C1 A43836 [0,0,0,0,1,0|3,0,0]=4 362 B12R1.233 CC(=O)NC1=C(F)C=C(C)C=C1 F49864 [0,0,0,0,0,1|2,0,1]=4 363 B12R1.233 CC(C)OC1=C(Cl)C=C(Br)C=C1 B49958 [0,0,0,0,0,1|2,0,0]=3 364 B12R1.233 CC(C)OC1=C(N)C=C(Br)C=C1 B50253 [0,0,0,0,0,1|2,0,0]=3 365 B12R1.233 CC1=CC(Br)=C(OC(C)C)N=C1 B50255 [0,0,0,0,0,1|2,0,0]=3 366 B12R1.233 C[C@H](O)CC1=C(F)C=C(F)C=C1 D37207 [0,0,0,0,0,1|3,0,0]=4 367 B9R1.1 BrCC1=CC=C(I)C=C1 B45171 [2,0,0,0,0,0|2,0,0]=4 368 B9R1.1 C#CC1=CC=C(C)C=C1 E68609 [2,0,0,0,0,0|0,0,2]=4 369 B9R1.1 CC1=CC=C(C=O)C=C1 M68600 [2,0,0,0,0,0|1,0,1]=4 370 B9R1.1 CC1=CC=C(CN)C=C1 M69544 [2,0,0,0,0,0|1,0,0]=3 371 B9R1.1 CC1=CC=C(CO)C=C1 T37852 [2,0,0,0,0,0|1,0,0]=3 372 B9R1.1 CC1=CC=C(NN)C=C1 T68855 [2,0,0,0,0,0|2,0,0]=4 373 B9R1.1 CC1=CN=C(CCl)C=C1 C46107 [2,0,0,0,0,0|2,0,0]=4 374 B9R1.1 CC1=CN=C(CN)C=C1 M43622 [2,0,0,0,0,0|2,0,0]=4 375 B9R1.1 CC1=CN=C(CN)C=C1 M46461 [2,0,0,0,0,0|2,0,0]=4 376 B9R1.1 CC1=NC=C(CBr)C=C1 B46089 [2,0,0,0,0,0|2,0,0]=4 377 B9R1.1 CC1=NC=C(CCl)C=C1 C46111 [2,0,0,0,0,0|2,0,0]=4 378 B9R1.1 CC1=NC=C(CN)C=C1 M0572 [2,0,0,0,0,0|2,0,0]=4 379 B9R1.1 CC1=NC=C(CO)C=C1 M15722 [2,0,0,0,0,0|2,0,0]=4 380 B9R1.1 CCC1=CC=C(Br)C=C1 B68945 [2,0,0,0,0,0|1,0,0]=3 381 B9R1.1 CCC1=CC=C(Cl)C=C1 C49160 [2,0,0,0,0,0|1,0,0]=3 382 B9R1.1 CCC1=CC=C(I)C=C1 E49167 [2,0,0,0,0,0|1,0,0]=3 383 B9R1.1 CCC1=CC=C([Mg+])C=C1 E31741 [2,0,0,0,0,0|1,0,0]=3 384 B9R1.1 CCC1=CN=C(Cl)C=C1 C26331 [2,0,0,0,0,0|2,0,0]=4 385 B9R1.1 CCC1=CN=C(N)C=C1 E43600 [2,0,0,0,0,0|2,0,0]=4 386 B9R1.1 CCC1=NC=C(Br)C=C1 B1614 [2,0,0,0,0,0|2,0,0]=4 387 B9R1.1 CCC1=NC=C(Cl)C=C1 C46096 [2,0,0,0,0,0|2,0,0]=4 388 B9R1.1 CCC1=NC=C(N)C=C1 E43602 [2,0,0,0,0,0|2,0,0]=4 389 B9R1.1 CNC1=CC=C(Br)C=C1 B61266 [2,0,0,0,0,0|2,0,0]=4 390 B9R1.1 CNC1=CC=C(C)C=C1 D39432 [2,0,0,0,0,0|1,0,0]=3 391 B9R1.1 CNC1=CC=C(I)C=C1 K46120 [2,0,0,0,0,0|2,0,0]=4 392 B9R1.1 CNC1=CC=C(N)C=C1 M69627 [2,0,0,0,0,0|2,0,0]=4 393 B9R1.1 CNC1=CN=C(C)C=C1 D43616 [2,0,0,0,0,0|2,0,0]=4 394 B9R1.1 CNC1=NC=C(C)C=C1 D43614 [2,0,0,0,0,0|2,0,0]=4 395 B9R1.1 COC1=CC=C(S)C=C1 M46276 [2,0,0,0,0,0|2,0,0]=4 396 B9R1.1 COC1=CC=C([Mg+])C=C1 M31744 [2,0,0,0,0,0|2,0,0]=4 397 B9R1.1 COC1=NC=C(C)C=C1 M67554 [2,0,0,0,0,0|2,0,0]=4 398 B9R1.1 CSC1=CC=C(I)C=C1 I38579 [2,0,0,0,0,0|2,0,0]=4 399 B9R1.1 CSC1=CC=C(O)C=C1 M67393 [2,0,0,0,0,0|2,0,0]=4 400 B9R1.1 CSC1=CC=C([Mg+])C=C1 M31771 [2,0,0,0,0,0|2,0,0]=4 401 B9R1.1 ClC1=CC=C(CBr)C=C1 B45158 [2,0,0,0,0,0|2,0,0]=4 402 B9R1.1 ClCC1=CC=C(Br)C=C1 B45160 [2,0,0,0,0,0|2,0,0]=4 403 B9R1.1 FC1=CC=C(C[Mg+])C=C1 F6777 [2,0,0,0,0,0|2,0,0]=4 404 B9R1.1 NC1=CC=C(CO)C=C1 A36619 [2,0,0,0,0,0|2,0,0]=4 405 B9R1.1 NCC1=CC=C(Br)C=C1 B36612 [2,0,0,0,0,0|2,0,0]=4 406 B9R1.1 NCC1=CC=C(Br)C=C1 B46090 [2,0,0,0,0,0|2,0,0]=4 407 B9R1.1 NCC1=CC=C(Cl)C=C1 C46099 [2,0,0,0,0,0|2,0,0]=4 408 B9R1.1 NCC1=CC=C(I)C=C1 I36689 [2,0,0,0,0,0|2,0,0]=4 409 B9R1.1 NCC1=CC=C(I)C=C1 K46123 [2,0,0,0,0,0|2,0,0]=4 410 B9R1.1 NCC1=CC=C(N)C=C1 A46581 [2,0,0,0,0,0|2,0,0]=4 411 B9R1.1 NCC1=CC=C(O)C=C1 A67587 [2,0,0,0,0,0|2,0,0]=4 412 B9R1.1 OCC1=CC=C(Br)C=C1 B67585 [2,0,0,0,0,0|2,0,0]=4 413 B9R1.1 OCC1=CC=C(Cl)C=C1 C39406 [2,0,0,0,0,0|2,0,0]=4 414 B9R1.1 OCC1=CC=C(F)C=C1 F39409 [2,0,0,0,0,0|2,0,0]=4 415 B9R1.1 OCC1=CC=C(I)C=C1 I36662 [2,0,0,0,0,0|2,0,0]=4 416 B9R1.6 CC(C)C1=NC=CC=C1 I0627 [2,0,0,0,0,0|1,0,0]=3 417 B9R1.6 CN(C)C1=CC=NC=C1 P68104 [2,0,0,0,0,0|2,0,0]=4 418 B9R1.6 C[C@@H](N)C1=CC=CC=C1 P68072 [2,0,0,0,0,0|1,0,0]=3 419 B9R1.6 C[C@@H](N)C1=CC=CN=C1 P43620 [2,0,0,0,0,0|2,0,0]=4 420 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P43606 [2,0,0,0,0,0|2,0,0]=4 421 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P46584 [2,0,0,0,0,0|2,0,0]=4 422 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P43619 [2,0,0,0,0,0|2,0,0]=4 423 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P46583 [2,0,0,0,0,0|2,0,0]=4 424 B9R1.6 C[C@@H](O)C1=CC=CC=C1 P46824 [2,0,0,0,0,0|1,0,0]=3 425 B9R1.6 C[C@@H](O)C1=CC=NC=C1 P46383 [2,0,0,0,0,0|2,0,0]=4 426 B9R1.6 C[C@@H](O)C1=NC=CC=C1 P46382 [2,0,0,0,0,0|2,0,0]=4 427 B9R1.6 C[C@H](N)C1=CC=CC=C1 P68597 [2,0,0,0,0,0|1,0,0]=3 428 B9R1.6 C[C@H](N)C1=CC=CC=C1 P69271 [2,0,0,0,0,0|1,0,0]=3 429 B9R1.6 C[C@H](N)C1=CC=CN=C1 P43604 [2,0,0,0,0,0|2,0,0]=4 430 B9R1.6 C[C@H](N)C1=CC=CN=C1 P46585 [2,0,0,0,0,0|2,0,0]=4 431 B9R1.6 C[C@H](N)C1=CC=CN=C1 P61653 [2,0,0,0,0,0|2,0,0]=4 432 B9R1.6 C[C@H](N)C1=CC=NC=C1 P43607 [2,0,0,0,0,0|2,0,0]=4 433 B9R1.6 C[C@H](N)C1=CC=NC=C1 P46582 [2,0,0,0,0,0|2,0,0]=4 434 B9R1.6 C[C@H](N)C1=NC=CC=C1 P43621 [2,0,0,0,0,0|2,0,0]=4 435 B9R1.6 C[C@H](N)C1=NC=CC=C1 P66366 [2,0,0,0,0,0|2,0,0]=4 436 B9R1.6 C[C@H](O)C1=CC=CC=C1 P46823 [2,0,0,0,0,0|1,0,0]=3 437 B9R1.6 C[C@H](O)C1=CC=NC=C1 P38118 [2,0,0,0,0,0|2,0,0]=4 438 B9R1.6 C[C@H](O)C1=NC=CC=C1 P46375 [2,0,0,0,0,0|2,0,0]=4 439 B9R1.6 C[S@](=O)C1=CC=CC=C1 M61814 [2,0,0,0,0,0|2,0,0]=4 440 B9R1.15 BrCC1=C(I)C=CC=C1 B37896 [2,0,0,0,0,0|2,0,0]=4 441 B9R1.15 C#CC1=C(O)C=CC=C1 E48112 [2,0,0,0,0,0|0,0,2]=4 442 B9R1.15 CC1=C(CN)C=CC=C1 M65907 [2,0,0,0,0,0|2,0,0]=4 443 B9R1.15 CCC1=C(Br)C=CC=C1 B68946 [2,0,0,0,0,0|1,0,0]=3 444 B9R1.15 CCC1=C(Br)C=CC=N1 B23432 [2,0,0,0,0,0|2,0,0]=4 445 B9R1.15 CCC1=C(Br)C=CN=C1 B10961 [2,0,0,0,0,0|2,0,0]=4 446 B9R1.15 CCC1=C(Br)C=CN=C1 B30062 [2,0,0,0,0,0|2,0,0]=4 447 B9R1.15 CCC1=C(Br)C=NC=C1 B23431 [2,0,0,0,0,0|2,0,0]=4 448 B9R1.15 CCC1=C(C)C=CC=C1 E50165 [2,0,0,0,0,0|1,0,0]=3 449 B9R1.15 CCC1=C([Mg+])C=CC=C1 E31738 [2,0,0,0,0,0|1,0,0]=3 450 B9R1.15 CC[N+]1=C(Br)C=CC=C1 B46367 [2,0,0,0,0,0|2,0,0]=4 451 B9R1.15 CNC1=C(Br)C=CC=C1 B46075 [2,0,0,0,0,0|2,0,0]=4 452 B9R1.15 CNC1=C(C)C=CC=C1 D46860 [2,0,0,0,0,0|2,0,0]=4 453 B9R1.15 CNC1=C(Cl)C=CC=C1 C46094 [2,0,0,0,0,0|2,0,0]=4 454 B9R1.15 CNC1=C(F)C=CC=C1 M39414 [2,0,0,0,0,0|2,0,0]=4 455 B9R1.15 CNC1=C(N)C=CC=C1 M43618 [2,0,0,0,0,0|2,0,0]=4 456 B9R1.15 CNC1=C(N)C=CC=C1 M68814 [2,0,0,0,0,0|2,0,0]=4 457 B9R1.15 CNC1=C(O)C=CC=C1 M64657 [2,0,0,0,0,0|1,0,0]=3 458 B9R1.15 COC1=C(Br)C=CC=C1 B67901 [2,0,0,0,0,0|2,0,0]=4 459 B9R1.15 COC1=C(I)C=CC=C1 K68160 [2,0,0,0,0,0|2,0,0]=4 460 B9R1.15 COC1=C([Mg+])C=CC=C1 M31742 [2,0,0,0,0,0|2,0,0]=4 461 B9R1.15 CSC1=C([Mg+])C=CC=C1 M31770 [2,0,0,0,0,0|2,0,0]=4 462 B9R1.15 FC1=C(C[Mg+])C=CC=C1 F6778 [2,0,0,0,0,0|2,0,0]=4 463 B9R1.15 N#CC1=C(O)C=CC=C1 H68602 [2,0,0,0,0,0|1,0,1]=4 464 B9R1.15 NC1=C(CO)C=CC=C1 A7795 [2,0,0,0,0,0|2,0,0]=4 465 B9R1.15 NCC1=C(Br)C=CC=C1 B36643 [2,0,0,0,0,0|2,0,0]=4 466 B9R1.15 NCC1=C(Cl)C=CC=C1 C46097 [2,0,0,0,0,0|2,0,0]=4 467 B9R1.15 NCC1=C(Cl)C=CC=C1 C46104 [2,0,0,0,0,0|2,0,0]=4 468 B9R1.15 NCC1=C(F)C=CC=C1 F26320 [2,0,0,0,0,0|2,0,0]=4 469 B9R1.15 NCC1=C(I)C=CC=C1 I36799 [2,0,0,0,0,0|2,0,0]=4 470 B9R1.15 NCC1=C(O)C=CC=C1 A38718 [2,0,0,0,0,0|1,0,0]=3 471 B9R1.15 NCC1=C(O)C=CC=C1 A46574 [2,0,0,0,0,0|1,0,0]=3 472 B9R1.15 NCC1=C(O)C=CC=N1 A43199 [2,0,0,0,0,0|2,0,0]=4 473 B9R1.15 NCC1=C(O)C=NC=C1 A43200 [2,0,0,0,0,0|2,0,0]=4 474 B9R1.15 OCC1=C(Br)C=CC=C1 B39402 [2,0,0,0,0,0|2,0,0]=4 475 B9R1.15 OCC1=C(Cl)C=CC=C1 C68885 [2,0,0,0,0,0|2,0,0]=4 476 B9R1.15 OCC1=C(F)C=CC=C1 F39407 [2,0,0,0,0,0|2,0,0]=4 477 B9R1.15 OCC1=C(I)C=CC=C1 K45967 [2,0,0,0,0,0|2,0,0]=4 478 B9R1.15 OCC1=C(O)C=CC=N1 H60848 [2,0,0,0,0,0|2,0,0]=4 479 B9R1.69 CC1=C(Br)C=C(Br)C=C1 D45155 [2,0,0,0,0,0|2,0,0]=4 480 B9R1.69 CC1=C(Br)C=C(F)C=C1 B68836 [2,0,0,0,0,0|2,0,0]=4 481 B9R1.69 CC1=C(Br)C=C(I)C=C1 B45176 [2,0,0,0,0,0|2,0,0]=4 482 B9R1.69 CC1=C(Br)C=C(N)C=C1 B39411 [2,0,0,0,0,0|2,0,0]=4 483 B9R1.69 CC1=C(Br)C=C(O)C=C1 B45948 [2,0,0,0,0,0|2,0,0]=4 484 B9R1.69 CC1=C(C)C=C(F)C=C1 F49166 [2,0,0,0,0,0|2,0,0]=4 485 B9R1.69 CC1=C(C)C=C(I)C=C1 K49170 [2,0,0,0,0,0|2,0,0]=4 486 B9R1.69 CC1=C(C)C=C([Mg+])C=C1 D31727 [2,0,0,0,0,0|2,0,0]=4 487 B9R1.69 CC1=C(Cl)C=C(Br)C=C1 B39370 [2,0,0,0,0,0|2,0,0]=4 488 B9R1.69 CC1=C(Cl)C=C(F)C=C1 C60661 [2,0,0,0,0,0|2,0,0]=4 489 B9R1.69 CC1=C(Cl)C=C(N)C=C1 C65827 [2,0,0,0,0,0|2,0,0]=4 490 B9R1.69 CC1=C(Cl)C=C(O)C=C1 C45955 [2,0,0,0,0,0|2,0,0]=4 491 B9R1.69 CC1=C(Cl)C=C([Mg+])C=C1 C31809 [2,0,0,0,0,0|2,0,0]=4 492 B9R1.69 CC1=C(F)C=C(Br)C=C1 B68837 [2,0,0,0,0,0|2,0,0]=4 493 B9R1.69 CC1=C(F)C=C(Cl)C=C1 C68878 [2,0,0,0,0,0|2,0,0]=4 494 B9R1.69 CC1=C(F)C=C(I)C=C1 F45194 [2,0,0,0,0,0|2,0,0]=4 495 B9R1.69 CC1=C(F)C=C(N)C=C1 F46113 [2,0,0,0,0,0|2,0,0]=4 496 B9R1.69 CC1=C(F)C=C(O)C=C1 F45960 [2,0,0,0,0,0|2,0,0]=4 497 B9R1.69 CC1=C(F)C=C([Mg+])C=C1 F31745 [2,0,0,0,0,0|2,0,0]=4 498 B9R1.69 CC1=C(I)C=C(Br)C=C1 B37920 [2,0,0,0,0,0|2,0,0]=4 499 B9R1.69 CC1=C(I)C=C(Cl)C=C1 C38509 [2,0,0,0,0,0|2,0,0]=4 500 B9R1.69 CC1=C(I)C=C(F)C=C1 F45195 [2,0,0,0,0,0|2,0,0]=4 501 B9R1.69 CC1=C(I)C=C(N)C=C1 K46118 [2,0,0,0,0,0|2,0,0]=4 502 B9R1.69 CC1=C(N)C=C(Br)C=C1 B39412 [2,0,0,0,0,0|2,0,0]=4 503 B9R1.69 CC1=C(N)C=C(I)C=C1 K46121 [2,0,0,0,0,0|2,0,0]=4 504 B9R1.69 CC1=C(N)C=C(O)C=C1 A38014 [2,0,0,0,0,0|2,0,0]=4 505 B9R1.69 CC1=C(O)C=C(Br)C=C1 B45951 [2,0,0,0,0,0|1,0,0]=3 506 B9R1.69 CC1=C(O)C=C(F)C=C1 F45964 [2,0,0,0,0,0|1,0,0]=3 507 B9R1.69 CC1=C(O)C=C(O)C=C1 M28674 [2,0,0,0,0,0|1,0,0]=3 508 B9R1.69 CC1=C([Mg+])C=C(F)C=C1 F31748 [2,0,0,0,0,0|2,0,0]=4 509 B9R1.69 CC1=CC(Br)=C(Br)C=C1 D45154 [2,0,0,0,0,0|2,0,0]=4 510 B9R1.69 CC1=CC(Br)=C(C)C=C1 D39511 [2,0,0,0,0,0|1,0,0]=3 511 B9R1.69 CC1=CC(Br)=C(C)C=N1 B46084 [2,0,0,0,0,0|2,0,0]=4 512 B9R1.69 CC1=CC(Br)=C(Cl)C=C1 B45156 [2,0,0,0,0,0|2,0,0]=4 513 B9R1.69 CC1=CC(Br)=C(I)C=C1 B45175 [2,0,0,0,0,0|2,0,0]=4 514 B9R1.69 CC1=CC(Br)=C(O)C=C1 B39403 [2,0,0,0,0,0|2,0,0]=4 515 B9R1.69 CC1=CC(C)=C(Br)C=C1 D39510 [2,0,0,0,0,0|2,0,0]=4 516 B9R1.69 CC1=CC(C)=C([Mg+])C=C1 D31735 [2,0,0,0,0,0|2,0,0]=4 517 B9R1.69 CC1=CC(Cl)=C(Br)C=C1 B67676 [2,0,0,0,0,0|2,0,0]=4 518 B9R1.69 CC1=CC(Cl)=C(I)C=C1 C62467 [2,0,0,0,0,0|2,0,0]=4 519 B9R1.69 CC1=CC(Cl)=C(N)C=C1 C69100 [2,0,0,0,0,0|2,0,0]=4 520 B9R1.69 CC1=CC(Cl)=C(O)C=C1 C38476 [2,0,0,0,0,0|2,0,0]=4 521 B9R1.69 CC1=CC(F)=C(Br)C=C1 B39373 [2,0,0,0,0,0|2,0,0]=4 522 B9R1.69 CC1=CC(F)=C(C)C=C1 F49165 [2,0,0,0,0,0|1,0,0]=3 523 B9R1.69 CC1=CC(F)=C(Cl)C=C1 C45177 [2,0,0,0,0,0|2,0,0]=4 524 B9R1.69 CC1=CC(F)=C(F)C=C1 D45188 [2,0,0,0,0,0|2,0,0]=4 525 B9R1.69 CC1=CC(F)=C(I)C=C1 F45193 [2,0,0,0,0,0|2,0,0]=4 526 B9R1.69 CC1=CC(F)=C(O)C=C1 F45958 [2,0,0,0,0,0|2,0,0]=4 527 B9R1.69 CC1=CC(I)=C(Br)C=C1 B38445 [2,0,0,0,0,0|2,0,0]=4 528 B9R1.69 CC1=CC(I)=C(F)C=C1 F45191 [2,0,0,0,0,0|2,0,0]=4 529 B9R1.69 CC1=CC(I)=C(N)C=C1 K46116 [2,0,0,0,0,0|2,0,0]=4 530 B9R1.69 CC1=CC(I)=C(O)C=C1 K60967 [2,0,0,0,0,0|2,0,0]=4 531 B9R1.69 CC1=CC(N)=C(Br)C=C1 B39410 [2,0,0,0,0,0|2,0,0]=4 532 B9R1.69 CC1=CC(N)=C(Cl)C=C1 C46092 [2,0,0,0,0,0|2,0,0]=4 533 B9R1.69 CC1=CC(N)=C(F)C=C1 A23738 [2,0,0,0,0,0|2,0,0]=4 534 B9R1.69 CC1=CC(N)=C(I)C=C1 K46117 [2,0,0,0,0,0|2,0,0]=4 535 B9R1.69 CC1=CC(N)=C(N)C=C1 D68596 [2,0,0,0,0,0|2,0,0]=4 536 B9R1.69 CC1=CC(O)=C(Br)C=C1 B36626 [2,0,0,0,0,0|1,0,0]=3 537 B9R1.69 CC1=CC(O)=C(Br)C=N1 B42886 [2,0,0,0,0,0|2,0,0]=4 538 B9R1.69 CC1=CC(O)=C(F)C=C1 F45959 [2,0,0,0,0,0|1,0,0]=3 539 B9R1.69 CC1=CC(O)=C(N)C=C1 A68595 [2,0,0,0,0,0|1,0,0]=3 540 B9R1.69 CC1=CC([Mg+])=C(C)C=C1 D31736 [2,0,0,0,0,0|1,0,0]=3 541 B9R1.69 CC1=CC=C(C)C(N)=N1 D43611 [2,0,0,0,0,0|2,0,0]=4 542 B9R1.69 CC1=CN=C(C)C(C)=C1 T39433 [2,0,0,0,0,0|2,0,0]=4 543 B9R1.69 CC1=CN=C(C)C=C1N D22447 [2,0,0,0,0,0|2,0,0]=4 544 B9R1.69 CC1=CN=C(Cl)C(O)=C1 C42904 [2,0,0,0,0,0|2,0,0]=4 545 B9R1.69 CC1=NC(O)=C(Br)C=C1 B42882 [2,0,0,0,0,0|2,0,0]=4 546 B9R1.69 CC1=NC=C(Br)C=C1O B42885 [2,0,0,0,0,0|2,0,0]=4 547 B9R1.69 CN1C=CC(=O)C(O)=C1 H43144 [2,0,0,0,0,0|2,0,0]=4 548 B9R1.69 NC1=C(O)C=C(Br)C=C1 A36609 [2,0,0,0,0,0|2,0,0]=4 549 B9R1.69 NC1=C(O)C=C(Cl)C=C1 A69179 [2,0,0,0,0,0|2,0,0]=4 550 B9R1.69 NC1=C(O)C=C(F)C=C1 A42919 [2,0,0,0,0,0|2,0,0]=4 551 B9R1.69 NC1=C(O)C=C(O)C=C1 A43536 [2,0,0,0,0,0|2,0,0]=4 552 B9R1.69 NC1=CC(O)=C(Cl)C=C1 C42897 [2,0,0,0,0,0|2,0,0]=4 553 B9R1.69 NC1=CC(O)=C(O)C=C1 A43430 [2,0,0,0,0,0|2,0,0]=4 554 B9R1.69 OC1=C(Br)C=CC(Br)=C1 D9405 [2,0,0,0,0,0|2,0,0]=4 555 B9R1.69 OC1=C(Br)C=CC(Cl)=C1 B32295 [2,0,0,0,0,0|2,0,0]=4 556 B9R1.69 OC1=C(Br)C=CC(F)=C1 B42343 [2,0,0,0,0,0|2,0,0]=4 557 B9R1.69 OC1=C(Br)C=CC(I)=C1 B42348 [2,0,0,0,0,0|2,0,0]=4 558 B9R1.69 OC1=C(Cl)C=CC(Br)=C1 B67837 [2,0,0,0,0,0|2,0,0]=4 559 B9R1.69 OC1=C(Cl)C=CC(F)=C1 C42353 [2,0,0,0,0,0|2,0,0]=4 560 B9R1.69 OC1=C(Cl)C=CC(I)=C1 C36714 [2,0,0,0,0,0|2,0,0]=4 561 B9R1.69 OC1=C(F)C=CC(Br)=C1 B42347 [2,0,0,0,0,0|2,0,0]=4 562 B9R1.69 OC1=C(F)C=CC(Cl)=C1 C42358 [2,0,0,0,0,0|2,0,0]=4 563 B9R1.69 OC1=C(F)C=CC(F)=C1 D42364 [2,0,0,0,0,0|2,0,0]=4 564 B9R1.69 OC1=C(F)C=CC(I)=C1 F36767 [2,0,0,0,0,0|2,0,0]=4 565 B9R1.69 OC1=C(I)C=CC(Br)=C1 B28730 [2,0,0,0,0,0|2,0,0]=4 566 B9R1.69 OC1=C(I)C=CC(Cl)=C1 C42363 [2,0,0,0,0,0|2,0,0]=4 567 B9R1.69 OC1=C(O)C=C(Br)C=C1 B67979 [2,0,0,0,0,0|2,0,0]=4 568 B9R1.69 OC1=CC(O)=C(Br)C=C1 B42694 [2,0,0,0,0,0|2,0,0]=4 569 B9R1.69 OC1=CC(O)=C(Cl)C=C1 C68880 [2,0,0,0,0,0|2,0,0]=4 570 B9R1.69 OC1=CC(O)=C(F)C=C1 F42702 [2,0,0,0,0,0|2,0,0]=4 571 B9R1.69 OC1=CC(O)=C(O)C=C1 B68356 [2,0,0,0,0,0|2,0,0]=4 572 B11R1.3 C#CC1=CC=C(C(C)C)C=C1 E54481 [1,1,0,0,0,0|0,0,1]=3 573 B11R1.3 C#CC1=CC=C(N(C)C)C=C1 D38058 [1,1,0,0,0,0|1,0,1]=4 574 B11R1.3 C=CC1=CC=C([SiH](C)C)C=C1 D53107 [1,1,0,0,0,0|0,1,1]=4 575 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 B36669 [1,1,0,0,0,0|1,0,1]=4 576 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 A52108 [1,1,0,0,0,0|1,0,1]=4 577 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 H49897 [1,1,0,0,0,0|1,0,1]=4 578 B11R1.3 CC(C)C1=CC=C(CN)C=C1 P53115 [1,1,0,0,0,0|0,0,0]=2 579 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 D69320 [1,1,0,0,0,0|1,0,1]=4 580 B11R1.3 CN(C)C1=CC=C(CO)C=C1 D61045 [1,1,0,0,0,0|1,0,0]=3 581 B11R1.3 CN(C)C1=CC=C(NN)C=C1 H49675 [1,1,0,0,0,0|2,0,0]=4 582 B11R1.3 CNC1=CC=C(C(C)=O)C=C1 M50024 [1,1,0,0,0,0|1,0,1]=4 583 B11R1.3 COC1=CC=C([C@@H](C)O)C=C1 M50287 [1,1,0,0,0,0|1,0,0]=3 584 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 M50345 [1,1,0,0,0,0|1,0,0]=3 585 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 M63049 [1,1,0,0,0,0|1,0,0]=3 586 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 M68132 [1,1,0,0,0,0|1,0,0]=3 587 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 M38013 [1,1,0,0,0,0|1,0,0]=3 588 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 M50288 [1,1,0,0,0,0|1,0,0]=3 589 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 M49959 [1,1,0,0,0,0|1,0,1]=4 590 B11R1.3 C[C@@H](N)C1=CC=C(C#N)C=C1 A52058 [1,1,0,0,0,0|1,0,1]=4 591 B11R1.3 C[C@@H](N)C1=CC=C(C#N)C=C1 A64157 [1,1,0,0,0,0|1,0,1]=4 592 B11R1.3 C[C@@H](N)C1=CC=C(CO)C=C1 A64851 [1,1,0,0,0,0|1,0,0]=3 593 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 A52059 [1,1,0,0,0,0|1,0,1]=4 594 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 A64156 [1,1,0,0,0,0|1,0,1]=4 595 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 B68078 [1,1,0,0,0,0|1,0,0]=3 596 B11R1.19 CC(C)(C)C1=CC=C(Cl)C=C1 B52874 [1,1,0,0,0,0|1,0,0]=3 597 B11R1.19 CC(C)(C)C1=CC=C(I)C=C1 B52875 [1,1,0,0,0,0|1,0,0]=3 598 B11R1.19 CC(C)(C)C1=CC=C(S)C=C1 B53106 [1,1,0,0,0,0|1,0,0]=3 599 B11R1.19 CC(C)(C)C1=CC=C([Mg+])C=C1 B31784 [1,1,0,0,0,0|1,0,0]=3 600 B11R1.19 CC(C)(O)C1=CC=C(Br)C=C1 B50148 [1,1,0,0,0,0|1,0,0]=3 601 B11R1.19 CC(F)(F)C1=CC=C(Br)C=C1 B48301 [1,1,0,0,0,0|2,0,0]=4 602 B11R1.19 CC1=CC=C(C(F)(F)F)C=C1 M48306 [1,1,0,0,0,0|2,0,0]=4 603 B11R1.19 CP(C)(=O)C1=CC=C(Br)C=C1 B62353 [1,1,0,0,0,0|2,0,0]=4 604 B11R1.19 CP(C)(=O)C1=CC=C(N)C=C1 A49544 [1,1,0,0,0,0|2,0,0]=4 605 B11R1.19 C[Si](C)(C)C1=CC=C(Br)C=C1 B50305 [1,1,0,0,0,0|1,1,0]=4 606 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 B52032 [1,1,0,0,0,0|1,0,1]=4 607 B11R1.21 CC(=O)C1=CC(Cl)=C(C)C=C1 C61119 [1,1,0,0,0,0|1,0,1]=4 608 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 A50026 [1,1,0,0,0,0|1,0,1]=4 609 B11R1.21 CC(C)C1=NC(N)=C(Br)C=C1 B59688 [1,1,0,0,0,0|2,0,0]=4 610 B11R1.21 CC1=C(Cl)C=C([C@@H](C)N)C=C1 C61118 [1,1,0,0,0,0|1,0,0]=3 611 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 C50241 [1,1,0,0,0,0|1,0,0]=3 612 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 C61334 [1,1,0,0,0,0|1,0,0]=3 613 B11R1.21 CC1=C(Cl)C=CC([C@@H](C)N)=C1 C50246 [1,1,0,0,0,0|2,0,0]=4 614 B11R1.21 CC1=C(F)C=C([C@H](C)N)C=C1 F63759 [1,1,0,0,0,0|1,0,0]=3 615 B11R1.21 CC1=C(F)C=CC([C@H](C)N)=C1 F52150 [1,1,0,0,0,0|2,0,0]=4 616 B11R1.21 CC1=C(N)C=C([C@H](C)N)C=C1 A52256 [1,1,0,0,0,0|1,0,0]=3 617 B11R1.21 C[C@@H](N)C1=CC(Cl)=C(Cl)C=C1 D49232 [1,1,0,0,0,0|2,0,0]=4 618 B11R1.21 C[C@@H](N)C1=CC(Cl)=C(F)C=C1 C49241 [1,1,0,0,0,0|2,0,0]=4 619 B11R1.21 C[C@@H](N)C1=CC(F)=C(Cl)C=C1 C49243 [1,1,0,0,0,0|2,0,0]=4 620 B11R1.21 C[C@@H](N)C1=CC(F)=C(F)C=C1 D49250 [1,1,0,0,0,0|2,0,0]=4 621 B11R1.21 C[C@@H](N)C1=CC(F)=C(F)C=C1 D49637 [1,1,0,0,0,0|2,0,0]=4 622 B11R1.21 C[C@H](N)C1=CC(Br)=C(F)C=C1 B49225 [1,1,0,0,0,0|2,0,0]=4 623 B11R1.21 C[C@H](N)C1=CC(Cl)=C(Br)C=C1 B49221 [1,1,0,0,0,0|2,0,0]=4 624 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 B49227 [1,1,0,0,0,0|2,0,0]=4 625 B11R1.21 C[C@H](N)C1=CC(F)=C(Cl)C=C1 C49246 [1,1,0,0,0,0|2,0,0]=4 626 B11R1.21 C[C@H](N)C1=CC(F)=C(F)C=C1 D49642 [1,1,0,0,0,0|2,0,0]=4 627 B11R1.21 C[C@H](O)C1=CC(Cl)=C(Cl)C=C1 D49144 [1,1,0,0,0,0|2,0,0]=4 628 B11R1.21 C[C@H](O)C1=CC(F)=C(F)C=C1 D49155 [1,1,0,0,0,0|2,0,0]=4 629 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 B52024 [1,1,0,0,0,0|1,0,1]=4 630 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 A52107 [1,1,0,0,0,0|1,0,1]=4 631 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 A52174 [1,1,0,0,0,0|1,0,0]=3 632 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 T54185 [1,1,0,0,0,0|1,0,0]=3 633 B11R1.22 CC[C@@H](N)C1=CC=C(Cl)C=C1 C50244 [1,1,0,0,0,0|2,0,0]=4 634 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 F52146 [1,1,0,0,0,0|2,0,0]=4 635 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 B39008 [1,1,0,0,0,0|1,0,0]=3 636 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50231 [1,1,0,0,0,0|2,0,0]=4 637 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50235 [1,1,0,0,0,0|2,0,0]=4 638 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 C37034 [1,1,0,0,0,0|2,0,0]=4 639 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52142 [1,1,0,0,0,0|2,0,0]=4 640 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52149 [1,1,0,0,0,0|2,0,0]=4 641 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 B50237 [1,1,0,0,0,0|1,0,0]=3 642 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 C50248 [1,1,0,0,0,0|1,0,0]=3 643 B11R1.22 CN[C@H](C)C1=CC=C(Cl)C=C1 C50247 [1,1,0,0,0,0|1,0,0]=3 644 B11R1.22 COC(=O)C1=CC=C(C)C=C1 M60598 [1,1,0,0,0,0|1,0,1]=4 645 B11R1.22 C[C@@H](CN)C1=CC=C(O)C=C1 A28643 [1,1,0,0,0,0|1,0,0]=3 646 B11R1.22 C[C@H](C#N)C1=CC=C(Br)C=C1 B51451 [1,1,0,0,0,0|1,0,1]=4 647 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A38341 [1,1,0,0,0,0|2,0,0]=4 648 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A46796 [1,1,0,0,0,0|2,0,0]=4 649 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A46798 [1,1,0,0,0,0|2,0,0]=4 650 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 A46808 [1,1,0,0,0,0|2,0,0]=4 651 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 A46813 [1,1,0,0,0,0|2,0,0]=4 652 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 A46818 [1,1,0,0,0,0|2,0,0]=4 653 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 A49527 [1,1,0,0,0,0|2,0,0]=4 654 B11R1.22 N[C@H](CO)C1=CC=C(Br)C=C1 A46797 [1,1,0,0,0,0|2,0,0]=4 655 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 A46811 [1,1,0,0,0,0|2,0,0]=4 656 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 A46821 [1,1,0,0,0,0|2,0,0]=4 657 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 A49517 [1,1,0,0,0,0|2,0,0]=4 658 B11R1.22 N[C@H](CO)C1=CC=C(O)C=C1 A49528 [1,1,0,0,0,0|2,0,0]=4 659 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 B49377 [1,1,0,0,0,0|2,0,0]=4 660 B11R1.37 COC1=C(C#N)C=C(C)C=C1 M24107 [1,1,0,0,0,0|2,0,0]=4 661 B11R1.37 COC1=C(C#N)C=CC(C)=C1 M51760 [1,1,0,0,0,0|1,0,1]=4 662 B11R1.37 COC1=C(C=O)C=C(C)C=C1 M65814 [1,1,0,0,0,0|1,0,1]=4 663 B11R1.37 COC1=C(C=O)C=CC(C)=C1 M49887 [1,1,0,0,0,0|1,0,1]=4 664 B11R1.37 COC1=C(CBr)C=CC(Br)=C1 B38655 [1,1,0,0,0,0|2,0,0]=4 665 B11R1.37 COC1=C(CN)C=CC(F)=C1 F46817 [1,1,0,0,0,0|2,0,0]=4 666 B11R1.37 COC1=C(CO)C=C(Br)C=C1 B65332 [1,1,0,0,0,0|2,0,0]=4 667 B11R1.37 COC1=C(CO)C=C(F)C=C1 F49396 [1,1,0,0,0,0|2,0,0]=4 668 B11R1.37 COC1=C(CO)C=CC(Br)=C1 B49376 [1,1,0,0,0,0|2,0,0]=4 669 B11R1.37 COC1=C(CO)C=CC(O)=C1 H4698 [1,1,0,0,0,0|2,0,0]=4 670 B11R1.37 COC1=C(OC)C=C(Br)C=C1 B39520 [1,1,0,0,0,0|2,0,0]=4 671 B11R1.37 COC1=C(OC)C=C(F)C=C1 F49393 [1,1,0,0,0,0|2,0,0]=4 672 B11R1.37 COC1=C(OC)C=C(I)C=C1 K49399 [1,1,0,0,0,0|2,0,0]=4 673 B11R1.37 COC1=C(OC)C=C(N)C=C1 D39436 [1,1,0,0,0,0|2,0,0]=4 674 B11R1.37 COC1=C(OC)C=C([Mg+])C=C1 D31789 [1,1,0,0,0,0|2,0,0]=4 675 B11R1.37 COC1=CC(C)=CN=C1OC D46918 [1,1,0,0,0,0|2,0,0]=4 676 B11R1.81 CC1=CC(F)=C(CC#N)C=C1 F51461 [1,1,0,0,0,0|1,0,1]=4 677 B11R1.81 CCCC1=C(O)C=C(O)C=C1 P50281 [1,1,0,0,0,0|1,0,0]=3 678 B11R1.81 CCOC1=C(Br)C=C(C)C=N1 B64110 [1,1,0,0,0,0|2,0,0]=4 679 B11R1.81 CCOC1=C(Cl)C=C(N)C=C1 C38144 [1,1,0,0,0,0|2,0,0]=4 680 B11R1.81 CCOC1=C(N)C=C(C)C=C1 E50337 [1,1,0,0,0,0|1,0,0]=3 681 B11R1.81 CCOC1=C(N)C=C(N)C=C1 E46634 [1,1,0,0,0,0|2,0,0]=4 682 B11R1.81 CNCC1=C(Cl)C=C(Cl)C=C1 D1582 [1,1,0,0,0,0|2,0,0]=4 683 B11R1.81 CNCC1=C(Cl)C=C(Cl)C=C1 D29989 [1,1,0,0,0,0|2,0,0]=4 684 B11R1.81 CNCC1=C(F)C=C(F)C=C1 D49253 [1,1,0,0,0,0|2,0,0]=4 685 B11R1.81 COCC1=C(F)C=C(N)C=C1 F46814 [1,1,0,0,0,0|2,0,0]=4 686 B11R1.81 ClC1=CC(Br)=C(CCBr)C=C1 B48298 [1,1,0,0,0,0|2,0,0]=4 687 B11R1.81 NCCC1=C(F)C=C(F)C=C1 D69468 [1,1,0,0,0,0|2,0,0]=4 688 B11R1.81 OCCC1=C(Cl)C=C(Cl)C=C1 D49147 [1,1,0,0,0,0|2,0,0]=4 689 B11R1.277 CC1=C(Cl)C=C(C=O)C(O)=C1 C48604 [1,1,0,0,0,0|1,0,1]=4 690 B11R1.277 CCC1=CC(F)=C(F)C=C1N E49247 [1,1,0,0,0,0|2,0,0]=4 691 B11R1.277 COC1=C(Br)C=C(C)C(N)=C1 B46790 [1,1,0,0,0,0|2,0,0]=4 692 B11R1.279 CCC1=CC(N)=C(OC)C=C1 E50338 [1,1,0,0,0,0|2,0,0]=4 693 B11R1.279 COC1=C(Br)C=C(CO)C=C1 B49379 [1,1,0,0,0,0|2,0,0]=4 694 B11R1.279 COC1=C(Cl)C=C(CBr)C=C1 B49134 [1,1,0,0,0,0|2,0,0]=4 695 B11R1.279 COC1=C(Cl)C=C(CN)C=C1 C46806 [1,1,0,0,0,0|2,0,0]=4 696 B11R1.279 COC1=C(F)C=C(CBr)C=C1 B2649 [1,1,0,0,0,0|2,0,0]=4 697 B11R1.279 COC1=C(F)C=C(CN)C=C1 F46816 [1,1,0,0,0,0|2,0,0]=4 698 B11R1.279 COC1=C(N)C=C(CO)C=C1 A37036 [1,1,0,0,0,0|2,0,0]=4 699 B11R1.279 COC1=C(O)C=C(C#N)C=C1 H67534 [1,1,0,0,0,0|1,0,1]=4 700 B11R1.279 COC1=C(O)C=C(CO)C=C1 H39431 [1,1,0,0,0,0|1,0,0]=3 701 B11R1.279 COC1=CC(Br)=C(OC)C=C1 B39519 [1,1,0,0,0,0|2,0,0]=4 702 B11R1.279 COC1=CC(C)=C(OC)C=C1 D50280 [1,1,0,0,0,0|2,0,0]=4 703 B11R1.279 COC1=CC(F)=C(OC)C=C1 F49392 [1,1,0,0,0,0|2,0,0]=4 704 B11R1.279 COC1=CC(N)=C(CO)C=C1 A46922 [1,1,0,0,0,0|2,0,0]=4 705 B11R1.279 COC1=CC(N)=C(OC)C=C1 D39435 [1,1,0,0,0,0|2,0,0]=4 706 B11R1.279 COC1=CC(O)=C(C#N)C=C1 H48461 [1,1,0,0,0,0|1,0,1]=4 707 B11R1.279 COC1=CC(O)=C(OC)C=C1 D46841 [1,1,0,0,0,0|1,0,0]=3 708 B11R1.279 COC1=CC(S)=C(OC)C=C1 D46838 [1,1,0,0,0,0|1,1,0]=4 709 B11R1.279 COC1=CC([Mg+])=C(OC)C=C1 D31788 [1,1,0,0,0,0|2,0,0]=4 710 B11R1.279 O=CC1=C(O)C=C(CO)C=C1 H64562 [1,1,0,0,0,0|1,0,1]=4 711 B11R1.464 CC1=CC(C)=C(CBr)C(C)=C1 B32045 [1,1,0,0,0,0|2,0,0]=4 712 B11R1.464 CC1=CC(C)=C(CN)C(C)=C1 M53111 [1,1,0,0,0,0|2,0,0]=4 713 B11R1.464 CC1=CC(C)=C(CO)C(C)=C1 M53082 [1,1,0,0,0,0|2,0,0]=4 714 B11R1.53 CC(C)C1=C(CBr)C=CC=C1 B11974 [1,1,0,0,0,0|1,0,0]=3 715 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 M50344 [1,1,0,0,0,0|1,0,0]=3 716 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 M60510 [1,1,0,0,0,0|1,0,0]=3 717 B11R1.53 C[C@H](O)C1=C(C#N)C=CC=C1 H51759 [1,1,0,0,0,0|2,0,0]=4 718 B11R1.87 CC(C)(C)C1=C(Br)C=CC=C1 B52871 [1,1,0,0,0,0|1,0,0]=3 719 B11R1.87 CC(C)(C)C1=C(N)C=CC=C1 A38434 [1,1,0,0,0,0|1,0,0]=3 720 B11R1.87 CC(C)(N)C1=C(Br)C=CC=C1 B50232 [1,1,0,0,0,0|1,0,0]=3 721 B11R1.87 CC(C)(O)C1=C(Br)C=CC=C1 B50146 [1,1,0,0,0,0|1,0,0]=3 722 B11R1.87 CC(C)(O)C1=C(Br)C=CC=N1 B37253 [1,1,0,0,0,0|2,0,0]=4 723 B11R1.87 CC(C)(O)C1=C(N)C=CC=C1 A36729 [1,1,0,0,0,0|1,0,0]=3 724 B11R1.87 CP(C)(=O)C1=C(N)C=CC=C1 A47013 [1,1,0,0,0,0|2,0,0]=4 725 B11R1.87 OC1=C(C(F)(F)F)C=CC=C1 T68847 [1,1,0,0,0,0|2,0,0]=4 726 B11R1.156 CC(=O)C1=C(Br)C=CC=C1O B24263 [1,1,0,0,0,0|1,0,1]=4 727 B11R1.156 CC(=O)C1=C(Cl)C=CC=C1O C48601 [1,1,0,0,0,0|1,0,1]=4 728 B11R1.156 CC(=O)C1=C(F)C=CC=C1O F48624 [1,1,0,0,0,0|1,0,1]=4 729 B11R1.156 CC(=O)C1=C(O)C=CC=C1C H49900 [1,1,0,0,0,0|1,0,1]=4 730 B11R1.156 CC1=CC=CC(C)=C1[C@@H](C)N D54186 [1,1,0,0,0,0|2,0,0]=4 731 B11R1.156 CC1=CC=CC(C)=C1[C@H](C)N D54188 [1,1,0,0,0,0|2,0,0]=4 732 B11R1.156 C[C@@H](N)C1=C(Cl)C=CC=C1Cl D49231 [1,1,0,0,0,0|2,0,0]=4 733 B11R1.156 C[C@@H](N)C1=C(Cl)C=CC=C1F C49234 [1,1,0,0,0,0|2,0,0]=4 734 B11R1.156 C[C@@H](N)C1=C(Cl)C=CC=C1F C49239 [1,1,0,0,0,0|2,0,0]=4 735 B11R1.156 C[C@@H](N)C1=C(F)C=CC=C1F D49636 [1,1,0,0,0,0|2,0,0]=4 736 B11R1.156 C[C@H](N)C1=C(Cl)C=CC=C1Cl D49230 [1,1,0,0,0,0|2,0,0]=4 737 B11R1.156 C[C@H](N)C1=C(Cl)C=CC=C1Cl D49233 [1,1,0,0,0,0|2,0,0]=4 738 B11R1.156 C[C@H](N)C1=C(Cl)C=CC=C1F C49236 [1,1,0,0,0,0|2,0,0]=4 739 B11R1.156 C[C@H](N)C1=C(Cl)C=CC=C1F C49244 [1,1,0,0,0,0|2,0,0]=4 740 B11R1.156 C[C@H](N)C1=C(F)C=CC=C1F D49632 [1,1,0,0,0,0|2,0,0]=4 741 B11R1.156 C[C@H](N)C1=C(F)C=CC=C1F D49641 [1,1,0,0,0,0|2,0,0]=4 742 B11R1.156 C[C@H](O)C1=C(Br)C=CC=C1F B49138 [1,1,0,0,0,0|2,0,0]=4 743 B11R1.156 C[C@H](O)C1=C(F)C=CC=C1F D49154 [1,1,0,0,0,0|2,0,0]=4 744 B11R1.159 CC(=O)C1=C(O)C(C)=CC=C1 H27971 [1,1,0,0,0,0|1,0,1]=4 745 B11R1.159 CC(=O)C1=C(O)C(N)=CC=C1 A69212 [1,1,0,0,0,0|1,0,1]=4 746 B11R1.159 CC(=O)C1=CC=CC(Br)=C1O B48580 [1,1,0,0,0,0|1,0,1]=4 747 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1O C48602 [1,1,0,0,0,0|1,0,1]=4 748 B11R1.159 CC(=O)C1=CC=CC(F)=C1O F61654 [1,1,0,0,0,0|1,0,1]=4 749 B11R1.159 CC(C)C1=CC=CC(N)=C1F F50249 [1,1,0,0,0,0|1,0,0]=3 750 B11R1.159 CC1=C(N)C(C(C)C)=NC=C1 P69106 [1,1,0,0,0,0|2,0,0]=4 751 B11R1.159 C[C@@H](N)C1=CC=CC(Cl)=C1F C49240 [1,1,0,0,0,0|2,0,0]=4 752 B11R1.159 C[C@@H](N)C1=CC=CC(F)=C1F D49248 [1,1,0,0,0,0|2,0,0]=4 753 B11R1.159 C[C@@H](N)C1=CC=CC(F)=C1F D49633 [1,1,0,0,0,0|2,0,0]=4 754 B11R1.159 C[C@H](N)C1=CC=CC(Cl)=C1Cl D60956 [1,1,0,0,0,0|2,0,0]=4 755 B11R1.159 C[C@H](N)C1=CC=CC(Cl)=C1F C49237 [1,1,0,0,0,0|2,0,0]=4 756 B11R1.159 C[C@H](N)C1=CC=CC(F)=C1Cl C49235 [1,1,0,0,0,0|2,0,0]=4 757 B11R1.159 C[C@H](N)C1=CC=CC(F)=C1F D49639 [1,1,0,0,0,0|2,0,0]=4 758 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 B3183 [1,1,0,0,0,0|1,0,1]=4 759 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 H49899 [1,1,0,0,0,0|1,0,1]=4 760 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 C48603 [1,1,0,0,0,0|1,0,1]=4 761 B11R1.167 CC(=O)C1=C(O)C=CC(F)=C1 F39496 [1,1,0,0,0,0|1,0,1]=4 762 B11R1.167 CC(=O)C1=C(O)C=CC(N)=C1 A49291 [1,1,0,0,0,0|1,0,1]=4 763 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 D39506 [1,1,0,0,0,0|1,0,1]=4 764 B11R1.167 CC(C)C1=C(F)C=CC(I)=C1 F49705 [1,1,0,0,0,0|1,0,0]=3 765 B11R1.167 CC(C)C1=C(I)C=CC(Br)=C1 B49703 [1,1,0,0,0,0|1,0,0]=3 766 B11R1.167 CC1=C([C@H](C)O)C=C(Cl)C=C1 C50163 [1,1,0,0,0,0|2,0,0]=4 767 B11R1.167 CN(C)C1=C(I)C=CC(O)=C1 D46822 [1,1,0,0,0,0|2,0,0]=4 768 B11R1.167 C[C@@H](N)C1=C(F)C=CC(F)=C1 D49635 [1,1,0,0,0,0|2,0,0]=4 769 B11R1.167 C[C@H](N)C1=C(F)C=CC(Cl)=C1 C49238 [1,1,0,0,0,0|2,0,0]=4 770 B11R1.167 C[C@H](O)C1=C(Cl)C=CC(Cl)=C1 D68314 [1,1,0,0,0,0|2,0,0]=4 771 B11R1.167 C[C@H](O)C1=C(F)C=CC(Br)=C1 B49140 [1,1,0,0,0,0|2,0,0]=4 772 B11R1.167 C[C@H](O)C1=C(I)C=CC(F)=C1 F62425 [1,1,0,0,0,0|2,0,0]=4 773 B11R1.222 CC1=C([C@H](C)C#N)C=CC=C1 T52504 [1,1,0,0,0,0|1,0,1]=4 774 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 H39530 [1,1,0,0,0,0|1,0,1]=4 775 B11R1.222 CC[C@@H](N)C1=C(C)C=CC=C1 T54184 [1,1,0,0,0,0|2,0,0]=4 776 B11R1.222 CC[C@H](C)C1=C(N)C=CC=C1 B53112 [1,1,0,0,0,0|1,0,0]=3 777 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 C50243 [1,1,0,0,0,0|2,0,0]=4 778 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 F52141 [1,1,0,0,0,0|2,0,0]=4 779 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 F52147 [1,1,0,0,0,0|2,0,0]=4 780 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 A52170 [1,1,0,0,0,0|1,0,0]=3 781 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 M64518 [1,1,0,0,0,0|1,0,1]=4 782 B11R1.222 N[C@H](CO)C1=C(Cl)C=CC=C1 A46809 [1,1,0,0,0,0|2,0,0]=4 783 B11R1.222 N[C@H](CO)C1=C(F)C=CC=C1 A46819 [1,1,0,0,0,0|2,0,0]=4 784 B11R1.222 N[C@H](CO)C1=C(F)C=CC=C1 A49515 [1,1,0,0,0,0|2,0,0]=4 785 B11R1.222 O=C(CBr)C1=C(O)C=CC=C1 B48582 [1,1,0,0,0,0|1,0,1]=4 786 B13R1.51 CC(C)OC1=C(C=O)C=C(Br)C=C1 B52622 [0,1,0,0,0,1|1,0,1]=4 787 B13R1.51 CC1=CC(C=O)=C(OC(C)C)C=C1 P54774 [0,1,0,0,0,1|0,0,1]=3 788 B13R1.163 CC(C)C(=O)C1=C(F)C=C(Br)C=C1 B52496 [0,1,0,0,0,1|2,0,0]=4 789 B13R1.3800 CC(C)C1=CC(O)=C(O)C(=O)C=C1 C22878 [0,1,0,0,0,1|1,0,0]=3 790 B13R1.2065 COC(=O)C1=C(OC)C=C(C)C=C1 M52830 [0,2,0,0,0,0|1,0,1]=4 791 B13R1.652 COC1=C(Br)C=C(C(C)C)C(F)=C1 B8182 [0,2,0,0,0,0|1,0,0]=3 792 B13R1.652 COC1=C(I)C=C(C(C)C)C(F)=C1 F14796 [0,2,0,0,0,0|1,0,0]=3 793 B13R1.1807 COC(=O)C1=CC(Br)=C(C)C=C1O M51984 [0,2,0,0,0,0|1,0,1]=4 794 B13R1.95 COC(=O)C1=C(O)C=C(OC)C=C1 M49942 [0,2,0,0,0,0|1,0,1]=4 795 B13R1.120 CC(C)C1=C(Br)C=C([N+](=O)[O-])C=C1 B49793 [0,2,0,0,0,0|2,0,0]=4 796 B13R1.961 COC(OC)C1=C(F)C=C(Br)C=C1 B49905 [0,2,0,0,0,0|2,0,0]=4 797 B11R2.34 BrC1=CC=C(C2CC2)C=C1 B32033 [1,0,0,1,0,0|1,0,0]=3 798 B11R2.34 BrC1=CN=C(C2CC2)C=C1 B38917 [1,0,0,1,0,0|2,0,0]=4 799 B11R2.34 BrC1=NC=C(C2CC2)C=C1 B48875 [1,0,0,1,0,0|2,0,0]=4 800 B11R2.34 FC1=CC=C([C@@H]2CO2)C=C1 F62188 [1,0,0,1,0,0|2,0,0]=4 801 B11R2.34 FC1=NC=C(C2CC2)C=C1 C48887 [1,0,0,1,0,0|2,0,0]=4 802 B11R2.34 NC1=CC=C(C2CC2)C=C1 C52090 [1,0,0,1,0,0|1,0,0]=3 803 B11R2.34 NC1=CN=C(C2CC2)C=C1 C46642 [1,0,0,1,0,0|2,0,0]=4 804 B11R2.34 NC1=NC=C(C2CC2)C=C1 C46640 [1,0,0,1,0,0|2,0,0]=4 805 B11R2.34 OC1=CC=C(C2CC2)C=C1 C49871 [1,0,0,1,0,0|1,0,0]=3 806 B11R2.34 OC1=NC=C(C2CC2)C=C1 C37180 [1,0,0,1,0,0|2,0,0]=4 807 B11R2.36 BrC1=CC2=C(C=C1)CCN2 B48873 [1,0,0,1,0,0|2,0,0]=4 808 B11R2.36 BrC1=CC2=C(C=C1)CCN2 B48878 [1,0,0,1,0,0|2,0,0]=4 809 B11R2.36 BrC1=CC2=C(C=C1)CCO2 B48719 [1,0,0,1,0,0|1,0,0]=3 810 B11R2.36 BrC1=CC2=C(C=C1)OCO2 B68095 [1,0,0,1,0,0|2,0,0]=4 811 B11R2.36 CC1=CC2=C(C=C1)N=CO2 M48438 [1,0,0,1,0,0|1,0,1]=4 812 B11R2.36 CC1=CC2=C(C=C1)NCC2 M49974 [1,0,0,1,0,0|2,0,0]=4 813 B11R2.36 CC1=CC2=C(C=C1)OCO2 M65617 [1,0,0,1,0,0|1,0,0]=3 814 B11R2.36 ClC1=CC2=C(C=C1)CCN2 C48881 [1,0,0,1,0,0|2,0,0]=4 815 B11R2.36 FC1=CC2=C(C=C1)CCC2 F51669 [1,0,0,1,0,0|2,0,0]=4 816 B11R2.36 IC1=CC2=C(C=C1)CCC2 K64448 [1,0,0,1,0,0|2,0,0]=4 817 B11R2.36 NC1=CC2=C(C=C1)OCO2 M67396 [1,0,0,1,0,0|2,0,0]=4 818 B11R2.36 OC1=CC2=C(C=C1)CCN2 K49255 [1,0,0,1,0,0|2,0,0]=4 819 B11R2.36 OC1=CC2=C(C=C1)CCO2 D49068 [1,0,0,1,0,0|1,0,0]=3 820 B11R2.36 [Mg+]C1=CC2=C(C=C1)OCO2 B31763 [1,0,0,1,0,0|2,0,0]=4 821 B11R2.1 CC1=NOC2=C1C=CC=C2 M68053 [1,0,0,1,0,0|1,0,1]=4 822 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 D37063 [1,0,0,1,0,0|2,0,0]=4 823 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52091 [1,0,0,1,0,0|2,0,0]=4 824 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52092 [1,0,0,1,0,0|2,0,0]=4 825 B11R2.1 N[C@H]1COC2=NC=CC=C21 D64566 [1,0,0,1,0,0|2,0,0]=4 826 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 D68576 [1,0,0,1,0,0|2,0,0]=4 827 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D60804 [1,0,0,1,0,0|2,0,0]=4 828 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D68574 [1,0,0,1,0,0|2,0,0]=4 829 B11R2.55 BrC1=C(C2CC2)N=CC=C1 B48876 [1,0,0,1,0,0|2,0,0]=4 830 B11R2.55 BrC1=NC=CC=C1C2CC2 B48874 [1,0,0,1,0,0|2,0,0]=4 831 B11R2.55 ClC1=C(C2CC2)C=NC=C1 C48885 [1,0,0,1,0,0|2,0,0]=4 832 B11R2.55 ClC1=NC=CC=C1C2CC2 C48880 [1,0,0,1,0,0|2,0,0]=4 833 B11R2.55 FC1=NC=CC=C1C2CC2 C48886 [1,0,0,1,0,0|2,0,0]=4 834 B11R2.55 NC1=C(C2CC2)C=CC=C1 C37591 [1,0,0,1,0,0|1,0,0]=3 835 B11R2.55 NC1=NC=CC=C1C2CC2 C46639 [1,0,0,1,0,0|2,0,0]=4 836 B11R2.55 O=C1NC=CC=C1C2CC2 C49264 [1,0,0,1,0,0|1,0,1]=4 837 B13R2.3051 CC1(C)OC2=C(C=C(Br)C=C2)O1 B51911 [0,0,0,1,0,1|1,0,0]=3 838 B13R2.3108 CC1(C)CNC2=C1C=CC(Br)=C2 B20493 [0,1,0,1,0,0|2,0,0]=4 839 B13R2.3108 CC1(C)CNC2=C1C=CC(N)=C2 D13692 [0,1,0,1,0,0|2,0,0]=4 840 B13R2.3108 CC1(C)CNC2=C1C=CC(N)=C2 D54178 [0,1,0,1,0,0|2,0,0]=4 841 B13R2.3108 CC1(C)NCC2=C1C=CC(Br)=C2 B13642 [0,1,0,1,0,0|2,0,0]=4 842 B13R2.5179 CC1=CC2=C(C=C1)C(=O)CCO2 M38414 [0,1,0,1,0,0|1,0,1]=4 843 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCC2 M55487 [0,1,0,1,0,0|2,0,0]=4 844 B13R2.5179 CN1CCOC2=C1C=CC(Br)=C2 B49853 [0,1,0,1,0,0|2,0,0]=4 845 B13R2.5179 CN1CCOC2=C1C=CC(N)=C2 M63888 [0,1,0,1,0,0|2,0,0]=4 846 B13R2.5179 N[C@@H]1CCOC2=C1C=CC(Br)=C2 B49854 [0,1,0,1,0,0|2,0,0]=4 847 B13R2.5179 N[C@@H]1CCOC2=C1C=CC(F)=C2 F52084 [0,1,0,1,0,0|2,0,0]=4 848 B13R2.5179 N[C@H]1CCOC2=C1C=CC(Cl)=C2 C63758 [0,1,0,1,0,0|2,0,0]=4 849 B13R2.5179 N[C@H]1CCOC2=C1C=CC(F)=C2 F52083 [0,1,0,1,0,0|2,0,0]=4 850 B13R2.5179 O[C@H]1CCOC2=C1C=CC(Br)=C2 B51873 [0,1,0,1,0,0|2,0,0]=4 851 B13R2.3125 NC1(C2=C(Br)C=C(Cl)C=C2)CC1 B5581 [0,1,0,1,0,0|2,0,0]=4 852 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 M36796 [0,1,0,1,0,0|1,0,1]=4 853 B9R1.35 CC1=CSC(C(C)C)=N1 P43783 [1,0,0,0,1,0|2,0,0]=4 854 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 B52869 [1,0,0,0,0,1|1,0,0]=3 855 B11R1.20 CC(C)NC1=CC=C(F)C=C1 F50250 [1,0,0,0,0,1|1,0,0]=3 856 B11R1.20 CC(C)OC1=CC=C(N)C=C1 P50334 [1,0,0,0,0,1|1,0,0]=3 857 B11R1.20 CC(C)OC1=CC=C(O)C=C1 P60509 [1,0,0,0,0,1|1,0,0]=3 858 B11R1.20 CC(C)OC1=CN=C(Cl)C=C1 C37509 [1,0,0,0,0,1|2,0,0]=4 859 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 B46786 [1,0,0,0,0,1|2,0,0]=4 860 B11R1.20 CC(C)OC1=NC=C(N)C=C1 P59792 [1,0,0,0,0,1|2,0,0]=4 861 B11R1.20 CC(C)OC1=NC=C(O)C=C1 P63580 [1,0,0,0,0,1|2,0,0]=4 862 B11R1.20 CC(C)SC1=CC=C(Br)C=C1 B49968 [1,0,0,0,0,1|1,0,0]=3 863 B11R1.20 CN(C)CC1=CC=C(N)C=C1 D24687 [1,0,0,0,0,1|2,0,0]=4 864 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 F36778 [1,0,0,0,0,1|2,0,0]=4 865 B11R1.86 CC(C)NC1=NC=CC=C1N P47054 [1,0,0,0,0,1|2,0,0]=4 866 B11R1.86 CC(C)OC1=C(Br)C=CC=C1 B50144 [1,0,0,0,0,1|1,0,0]=3 867 B11R1.86 CC(C)OC1=C(Br)C=CC=N1 B46784 [1,0,0,0,0,1|2,0,0]=4 868 B11R1.86 CC(C)OC1=C(N)C=CC=C1 P67507 [1,0,0,0,0,1|1,0,0]=3 869 B11R1.86 CC(C)SC1=C(N)C=CC=C1 P50385 [1,0,0,0,0,1|1,0,0]=3 870 B11R1.86 CC(C)SC1=C(N)C=CC=C1 P60671 [1,0,0,0,0,1|1,0,0]=3 871 B11R1.497 CC(C)C1=CC(=O)C=CC=C1 P61146 [1,0,0,0,0,1|0,0,1]=3 872 B11R1.74 CC(=O)C1=CC(O)=CC(C)=C1 H49902 [0,0,0,0,1,1|1,0,1]=4