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(C(=O)O)C=C1 V67904 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.3 C=CC1=CC=C([N+](=O)[O-])C=C1 N37028 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.3 C=CC1=CC=C([SiH](C)C)C=C1 D53107 [0,0,0,0,0,0|1,1,0]=2 6 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 A51160 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.3 CC(=O)C1=CC=C(C=O)C=C1 A51552 [0,0,0,0,0,0|1,0,1]=2 8 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 B36669 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 A52108 [0,0,0,0,0,0|2,0,2]=4 10 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 H49897 [0,0,0,0,0,0|1,0,3]=4 11 B11R1.3 CC(C)C1=CC=C(CN)C=C1 P53115 [0,0,0,0,0,0|1,0,1]=2 12 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 D69320 [0,0,0,0,0,0|1,0,0]=1 13 B11R1.3 CN(C)C1=CC=C(CO)C=C1 D61045 [0,0,0,0,0,0|1,0,2]=3 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 CNC1=CC=C(C(C)=O)C=C1 M50024 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.3 COC1=CC=C([C@@H](C)O)C=C1 M50287 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 M50345 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 M63049 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 M68132 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 M38013 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 M50288 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 M49959 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.3 C[C@@H](N)C1=CC=C(C#N)C=C1 A52058 [0,0,0,0,0,0|2,0,1]=3 24 B11R1.3 C[C@@H](N)C1=CC=C(C#N)C=C1 A64157 [0,0,0,0,0,0|2,0,1]=3 25 B11R1.3 C[C@@H](N)C1=CC=C(CO)C=C1 A64851 [0,0,0,0,0,0|1,0,2]=3 26 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 A52059 [0,0,0,0,0,0|2,0,1]=3 27 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 A64156 [0,0,0,0,0,0|2,0,1]=3 28 B11R1.3 N#CC1=CC=C(C(Cl)Cl)C=C1 D47688 [0,0,0,0,0,0|3,0,1]=4 29 B11R1.3 O=CC1=CC=C(B(O)O)C=C1 F3540 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 F69091 [0,0,0,0,0,0|2,0,1]=3 31 B11R1.3 O=CC1=CC=C([N+](=O)[O-])C=C1 N67887 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.3 O=CC1=NC=C([N+](=O)[O-])C=C1 N10448 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.3 BrCC1=CC=C(CBr)C=C1 B48752 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.3 C#CC1=CC=C(C=O)C=C1 E38050 [1,0,0,0,0,0|0,0,2]=3 35 B10R1.3 C#CC1=CC=C(CC)C=C1 E52271 [1,0,0,0,0,0|1,0,1]=3 36 B10R1.3 C#CC1=CC=C(CN)C=C1 E38189 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.3 C#CC1=CC=C(CO)C=C1 E51546 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.3 C#CC1=CC=C(OC)C=C1 E51542 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.3 C=CC1=CC=C(CO)C=C1 V32337 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.3 C=CC1=CC=C(OC)C=C1 M68575 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.3 CCC1=CC=C(NN)C=C1 E49533 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.3 CCC1=CC=C(OC)C=C1 E50270 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.3 CCC1=CN=C(C=O)C=C1 E49257 [1,0,0,0,0,0|1,0,0]=2 44 B10R1.3 CNC1=CC=C(C#N)C=C1 M67463 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.3 COC1=CC=C(C#N)C=C1 M68579 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.3 COC1=CC=C(CN)C=C1 M4627 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.3 COC1=CC=C(CO)C=C1 M68895 [1,0,0,0,0,0|1,0,2]=4 48 B10R1.3 COC1=CC=C(NN)C=C1 M46462 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.3 COC1=CC=C(OC)C=C1 D68896 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.3 COC1=CN=C(C=O)C=C1 M15225 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.3 COC1=CN=C(C=O)N=C1 M12145 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.3 COC1=NC=C(C=O)C=C1 M31008 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.3 COC1=NC=C(C=O)C=N1 M42777 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.3 CSC1=CC=C(C=O)C=C1 M49157 [1,0,0,0,0,0|1,0,0]=2 55 B10R1.3 CSC1=NC=C(C=O)C=N1 M14446 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.3 N#CC1=CC=C(CBr)C=C1 C47942 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.3 N#CC1=CC=C(CCl)C=C1 C47959 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.3 N#CC1=CC=C(CN)C=C1 A37021 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.3 N#CC1=CC=C(CN)C=C1 A49611 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.3 N#CC1=CC=C(CO)C=C1 H48443 [1,0,0,0,0,0|2,0,1]=4 61 B10R1.3 N#CC1=CN=C(C=O)C=C1 F22261 [1,0,0,0,0,0|2,0,1]=4 62 B10R1.3 N#CC1=NC=C(C=O)C=C1 F18629 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.3 NCC1=CC=C(CN)C=C1 P46958 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.3 NCC1=CC=C(CO)C=C1 A37992 [1,0,0,0,0,0|1,0,2]=4 65 B10R1.3 O=CC1=CC=C(C=O)C=C1 T69290 [1,0,0,0,0,0|1,0,1]=3 66 B10R1.3 O=CC1=CC=C(CBr)C=C1 B24021 [1,0,0,0,0,0|1,0,0]=2 67 B10R1.3 O=CC1=CC=C(CCl)C=C1 C38746 [1,0,0,0,0,0|1,0,0]=2 68 B10R1.3 O=CC1=CC=C(CO)C=C1 H49069 [1,0,0,0,0,0|1,0,0]=2 69 B10R1.3 OCC1=CC=C(CBr)C=C1 B38754 [1,0,0,0,0,0|1,0,2]=4 70 B10R1.3 OCC1=CC=C(CCl)C=C1 C49451 [1,0,0,0,0,0|1,0,2]=4 71 B10R1.3 OCC1=CC=C(CO)C=C1 B68897 [1,0,0,0,0,0|1,0,2]=4 72 B10R1.13 C=C(C)C1=CC=C(F)C=C1 F51670 [1,0,0,0,0,0|1,0,2]=4 73 B10R1.13 C=C(C)C1=CC=C(O)C=C1 P49877 [1,0,0,0,0,0|0,0,3]=4 74 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M68572 [1,0,0,0,0,0|1,0,2]=4 75 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C68865 [1,0,0,0,0,0|2,0,1]=4 76 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F38426 [1,0,0,0,0,0|2,0,1]=4 77 B10R1.13 CC(=O)C1=CC=C(I)C=C1 K39500 [1,0,0,0,0,0|2,0,1]=4 78 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A68181 [1,0,0,0,0,0|2,0,1]=4 79 B10R1.13 CC(=O)C1=CC=C(O)C=C1 H64899 [1,0,0,0,0,0|1,0,2]=4 80 B10R1.13 CC(=O)C1=CNC(=O)C=C1 A67563 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.13 CC(C)C1=CC=C(Br)C=C1 B49963 [1,0,0,0,0,0|1,0,0]=2 82 B10R1.13 CC(C)C1=CC=C(N)C=C1 P69319 [1,0,0,0,0,0|1,0,0]=2 83 B10R1.13 CC(C)C1=CC=C(O)C=C1 P60863 [1,0,0,0,0,0|0,0,1]=2 84 B10R1.13 CC(C)C1=CC=C([Mg+])C=C1 P31759 [1,0,0,0,0,0|1,0,0]=2 85 B10R1.13 CC(C)C1=CN=C(Br)C=C1 B46728 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.13 CC(C)C1=CN=C(N)C=C1 P24474 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.13 CC(C)C1=NC=C(Br)C=C1 B32058 [1,0,0,0,0,0|2,0,0]=3 88 B10R1.13 CC(C)C1=NC=C(Br)C=N1 B13199 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.13 CC(C)C1=NC=C(N)C=C1 A12160 [1,0,0,0,0,0|2,0,0]=3 90 B10R1.13 CC1=CC=C(C(C)C)C=C1 D60786 [1,0,0,0,0,0|0,0,1]=2 91 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T52161 [1,0,0,0,0,0|1,0,1]=3 92 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T60511 [1,0,0,0,0,0|1,0,1]=3 93 B10R1.13 CC1=CC=C([C@@H](C)O)C=C1 T50271 [1,0,0,0,0,0|1,0,1]=3 94 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 M65785 [1,0,0,0,0,0|2,0,1]=4 95 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 M49667 [1,0,0,0,0,0|2,0,1]=4 96 B10R1.13 CC1=NC=C([C@H](C)O)C=C1 H64312 [1,0,0,0,0,0|2,0,1]=4 97 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 C46751 [1,0,0,0,0,0|2,0,0]=3 98 B10R1.13 CN(C)C1=CC=C(I)C=C1 K46770 [1,0,0,0,0,0|2,0,0]=3 99 B10R1.13 CN(C)C1=CC=C([Mg+])C=C1 D31762 [1,0,0,0,0,0|2,0,0]=3 100 B10R1.13 CN(C)C1=CN=C(Br)C=C1 B46285 [1,0,0,0,0,0|3,0,0]=4 101 B10R1.13 CN(C)C1=CN=C(Cl)C=C1 C46302 [1,0,0,0,0,0|3,0,0]=4 102 B10R1.13 CN(C)C1=NC=C(Br)C=C1 B3355 [1,0,0,0,0,0|3,0,0]=4 103 B10R1.13 CN(C)C1=NC=C(I)C=C1 K46311 [1,0,0,0,0,0|3,0,0]=4 104 B10R1.13 CN(C)C1=NC=C(N)C=C1 A12270 [1,0,0,0,0,0|3,0,0]=4 105 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 B38580 [1,0,0,0,0,0|2,0,0]=3 106 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 C64533 [1,0,0,0,0,0|2,0,0]=3 107 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 F46766 [1,0,0,0,0,0|2,0,0]=3 108 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 F49509 [1,0,0,0,0,0|2,0,0]=3 109 B10R1.13 C[C@@H](N)C1=CN=C(Br)C=C1 B63698 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.13 C[C@@H](N)C1=NC=C(F)C=C1 F46566 [1,0,0,0,0,0|3,0,0]=4 111 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 B49428 [1,0,0,0,0,0|2,0,0]=3 112 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 C49454 [1,0,0,0,0,0|2,0,0]=3 113 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 F49461 [1,0,0,0,0,0|2,0,0]=3 114 B10R1.13 C[C@H](Br)C1=CC=C(F)C=C1 B36983 [1,0,0,0,0,0|2,0,0]=3 115 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B46724 [1,0,0,0,0,0|2,0,0]=3 116 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B46735 [1,0,0,0,0,0|2,0,0]=3 117 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B65383 [1,0,0,0,0,0|2,0,0]=3 118 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 F36974 [1,0,0,0,0,0|2,0,0]=3 119 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 F64415 [1,0,0,0,0,0|2,0,0]=3 120 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 K46768 [1,0,0,0,0,0|2,0,0]=3 121 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 K46771 [1,0,0,0,0,0|2,0,0]=3 122 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 A46957 [1,0,0,0,0,0|2,0,0]=3 123 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 B46292 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 B46296 [1,0,0,0,0,0|3,0,0]=4 125 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F0635 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F46612 [1,0,0,0,0,0|3,0,0]=4 127 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 B49431 [1,0,0,0,0,0|2,0,0]=3 128 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49442 [1,0,0,0,0,0|2,0,0]=3 129 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49449 [1,0,0,0,0,0|2,0,0]=3 130 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 F49463 [1,0,0,0,0,0|2,0,0]=3 131 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 H46826 [1,0,0,0,0,0|1,0,1]=3 132 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 B63199 [1,0,0,0,0,0|3,0,0]=4 133 B10R1.13 FC(F)C1=CC=C(Cl)C=C1 C44732 [1,0,0,0,0,0|3,0,0]=4 134 B10R1.13 FC(F)C1=CC=C(I)C=C1 D44733 [1,0,0,0,0,0|3,0,0]=4 135 B10R1.13 NC1=CC=C(C(F)F)C=C1 D46546 [1,0,0,0,0,0|3,0,0]=4 136 B12R1.5 C=CC1=CC=C(C(=O)OC)C=C1 M52426 [0,1,0,0,0,0|2,0,1]=4 137 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 M37811 [0,1,0,0,0,0|1,0,1]=3 138 B12R1.5 COC(=O)C1=CN=C(C=O)C=C1 M16020 [0,1,0,0,0,0|2,0,1]=4 139 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 A50364 [0,1,0,0,0,0|3,0,0]=4 140 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 A52181 [0,1,0,0,0,0|3,0,0]=4 141 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 A52182 [0,1,0,0,0,0|3,0,0]=4 142 B12R1.6 C=CC1=CC=C(C(F)(F)F)C=C1 T51045 [0,1,0,0,0,0|3,0,0]=4 143 B12R1.6 CC(C)(C)C1=CC=C(C#N)C=C1 B54602 [0,1,0,0,0,0|1,0,1]=3 144 B12R1.6 CC(C)(C)C1=CC=C(CBr)C=C1 B54818 [0,1,0,0,0,0|1,0,1]=3 145 B12R1.6 CC(C)(C)C1=CC=C(CO)C=C1 B54950 [0,1,0,0,0,0|0,0,2]=3 146 B12R1.6 CC(C)(C)C1=CC=C(NN)C=C1 B54205 [0,1,0,0,0,0|2,0,0]=3 147 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 B54952 [0,1,0,0,0,0|2,0,0]=3 148 B12R1.6 CS(=O)(=O)C1=CC=C(C=O)C=C1 M67503 [0,1,0,0,0,0|2,0,0]=3 149 B12R1.6 O=CC1=CC=C(C(F)(F)F)C=C1 F68115 [0,1,0,0,0,0|2,0,0]=3 150 B12R1.6 O=CC1=CC=C(S(=O)(=O)O)C=C1 F64048 [0,1,0,0,0,0|3,0,0]=4 151 B12R1.6 O=CC1=CN=C(C(F)(F)F)C=C1 T23425 [0,1,0,0,0,0|3,0,0]=4 152 B12R1.6 O=CC1=NC=C(C(F)(F)F)C=C1 T44551 [0,1,0,0,0,0|3,0,0]=4 153 B12R1.48 CC1=C(C=O)C=CC(N(C)C)=C1 D67269 [0,1,0,0,0,0|1,0,0]=2 154 B12R1.48 CN(C)C1=CC(O)=C(C=O)C=C1 D50075 [0,1,0,0,0,0|1,0,0]=2 155 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 F52155 [0,1,0,0,0,0|3,0,0]=4 156 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 F63085 [0,1,0,0,0,0|3,0,0]=4 157 B12R1.48 NC1=C(C=O)C=CC([N+](=O)[O-])=C1 A45244 [0,1,0,0,0,0|3,0,0]=4 158 B12R1.48 O=CC1=C(Br)C=C(C(=O)O)C=C1 B47798 [0,1,0,0,0,0|2,0,1]=4 159 B12R1.48 O=CC1=C(Br)C=C([N+](=O)[O-])C=C1 B38390 [0,1,0,0,0,0|3,0,0]=4 160 B12R1.48 O=CC1=C(F)C=C(B(O)O)C=C1 F3210 [0,1,0,0,0,0|3,0,0]=4 161 B12R1.48 O=CC1=C(F)C=C([N+](=O)[O-])C=C1 F44475 [0,1,0,0,0,0|3,0,0]=4 162 B12R1.48 O=CC1=C(O)C=C(C(=O)O)C=C1 F48232 [0,1,0,0,0,0|2,0,1]=4 163 B12R1.48 O=CC1=C(O)C=C([N+](=O)[O-])C=C1 H68122 [0,1,0,0,0,0|3,0,0]=4 164 B12R1.113 CN(C)C1=CC=C(CCO)C=C1 D53144 [0,1,0,0,0,0|1,0,2]=4 165 B12R1.256 CC(=O)C1=CC=C(B(O)O)C=C1 A49401 [0,1,0,0,0,0|3,0,0]=4 166 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 A67428 [0,1,0,0,0,0|1,0,1]=3 167 B12R1.256 CC(=O)C1=CC=C(N(C)C)C=C1 D39613 [0,1,0,0,0,0|1,0,0]=2 168 B12R1.256 CC(=O)C1=NC=C(C(C)C)C=C1 P52923 [0,1,0,0,0,0|1,0,0]=2 169 B12R1.256 CC(C)C1=CC=C(B(O)O)C=C1 I3960 [0,1,0,0,0,0|1,0,1]=3 170 B12R1.256 CC(C)C1=NC=C([N+](=O)[O-])C=C1 I15649 [0,1,0,0,0,0|2,0,0]=3 171 B12R1.256 CN(C)C1=NC=C(C(=O)O)C=C1 D64546 [0,1,0,0,0,0|2,0,0]=3 172 B12R1.256 C[C@@H](N)C1=CC=C(C(=O)O)C=C1 A52113 [0,1,0,0,0,0|1,0,0]=2 173 B12R1.256 C[C@@H](N)C1=CC=C([N+](=O)[O-])C=C1 N65405 [0,1,0,0,0,0|2,0,0]=3 174 B12R1.256 C[C@@H](O)C1=CC=C([N+](=O)[O-])C=C1 N49316 [0,1,0,0,0,0|2,0,0]=3 175 B12R1.256 C[C@H](Br)C1=CC=C([N+](=O)[O-])C=C1 B48914 [0,1,0,0,0,0|2,0,0]=3 176 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 A22822 [0,1,0,0,0,0|1,0,0]=2 177 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 A50063 [0,1,0,0,0,0|1,0,0]=2 178 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 A52114 [0,1,0,0,0,0|1,0,0]=2 179 B12R1.256 C[C@H](N)C1=CC=C([N+](=O)[O-])C=C1 N49496 [0,1,0,0,0,0|2,0,0]=3 180 B12R1.256 C[C@H](O)C1=CC=C(B(O)O)C=C1 H46948 [0,1,0,0,0,0|2,0,1]=4 181 B12R1.256 C[C@H](O)C1=CC=C(C(=O)O)C=C1 H49915 [0,1,0,0,0,0|1,0,0]=2 182 B12R1.256 C[C@H](O)C1=CC=C(C(N)=O)C=C1 H50041 [0,1,0,0,0,0|1,0,0]=2 183 B12R1.256 C[SiH](C)C1=CC=C([SiH](C)C)C=C1 B53282 [0,1,0,0,0,0|1,2,0]=4 184 B12R1.256 N=C(N)C1=CC=C(C(=O)O)C=C1 C38812 [0,1,0,0,0,0|2,0,1]=4 185 B12R1.256 N=C(N)C1=CC=C(C(N)=O)C=C1 C49628 [0,1,0,0,0,0|2,0,1]=4 186 B12R1.256 NC(=O)C1=CC=C(B(O)O)C=C1 A1160 [0,1,0,0,0,0|3,0,0]=4 187 B12R1.256 O=C(O)C1=CC=C(B(O)O)C=C1 C2180 [0,1,0,0,0,0|3,0,0]=4 188 B12R1.256 O=C(O)C1=CC=C([N+](=O)[O-])C=C1 P67039 [0,1,0,0,0,0|3,0,0]=4 189 B12R1.256 O=C(O)C1=CN=C(C(F)F)C=C1 D63097 [0,1,0,0,0,0|3,0,0]=4 190 B12R1.256 O=C([O-])C1=CC=C([N+](=O)[O-])C=C1 S46455 [0,1,0,0,0,0|3,0,0]=4 191 B12R1.256 O=[N+]([O-])C1=CC=C(C(F)F)C=C1 D44993 [0,1,0,0,0,0|3,0,0]=4 192 B12R1.452 CC1=C(N(C)C)C=CC(C=O)=C1 D52927 [0,1,0,0,0,0|1,0,0]=2 193 B12R1.452 CC1=C([N+](=O)[O-])C=CC(C=O)=C1 M48499 [0,1,0,0,0,0|3,0,0]=4 194 B12R1.452 COC1=CC(F)=C(C(C)C)C=C1 F15562 [0,1,0,0,0,0|2,0,0]=3 195 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 F52154 [0,1,0,0,0,0|3,0,0]=4 196 B12R1.452 O=CC1=CC(Br)=C([N+](=O)[O-])C=C1 B44462 [0,1,0,0,0,0|3,0,0]=4 197 B12R1.452 O=CC1=CC(Cl)=C(B(O)O)C=C1 C60984 [0,1,0,0,0,0|3,0,0]=4 198 B12R1.452 O=CC1=CC(Cl)=C(C(=O)O)C=C1 C63482 [0,1,0,0,0,0|2,0,1]=4 199 B12R1.452 O=CC1=CC(Cl)=C([N+](=O)[O-])C=C1 C62226 [0,1,0,0,0,0|3,0,0]=4 200 B12R1.452 O=CC1=CC(F)=C(B(O)O)C=C1 F68684 [0,1,0,0,0,0|3,0,0]=4 201 B12R1.452 O=CC1=CC(F)=C([N+](=O)[O-])C=C1 F44477 [0,1,0,0,0,0|3,0,0]=4 202 B12R1.452 O=CC1=CC(O)=C([N+](=O)[O-])C=C1 F69273 [0,1,0,0,0,0|3,0,0]=4 203 B12R2.9 O=CC1=CC=C(C2CC2)C=C1 C52411 [0,0,0,1,0,0|0,0,0]=1 204 B10R1.31 CC(=O)C1=CC=C(C=O)S1 A45521 [0,0,0,0,1,0|2,0,1]=4 205 B10R1.31 CC(=O)C1=CNC(C=O)=C1 A63189 [0,0,0,0,1,0|2,0,1]=4 206 B10R1.31 CC(C)C1=COC(C=O)=C1 P65538 [0,0,0,0,1,0|1,0,0]=2 207 B10R1.31 CC(C)C1=NC(C=O)=CS1 F2077 [0,0,0,0,1,0|2,0,0]=3 208 B10R1.31 CC(C)N1C=C(C=O)C=N1 P43645 [0,0,0,0,1,0|2,0,0]=3 209 B10R1.31 CN(C)C1=CC=C(C=O)S1 D46441 [0,0,0,0,1,0|2,0,0]=3 210 B12R1.4 C=CC1=CC=C(OC(C)=O)C=C1 A52418 [0,0,0,0,0,1|2,0,1]=4 211 B12R1.4 CC(=O)NC1=CC=C(C=O)C=C1 F61966 [0,0,0,0,0,1|1,0,1]=3 212 B12R1.4 CC(C)OC1=CC=C(C#N)C=C1 P63801 [0,0,0,0,0,1|1,0,1]=3 213 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 P52789 [0,0,0,0,0,1|0,0,0]=1 214 B12R1.4 CC(C)OC1=CC=C(NN)C=C1 P52189 [0,0,0,0,0,1|2,0,0]=3 215 B12R1.4 CC(C)OC1=NC=C(C#N)C=C1 P49720 [0,0,0,0,0,1|2,0,1]=4 216 B12R1.4 CC(C)OC1=NC=C(C=O)C=C1 P50045 [0,0,0,0,0,1|1,0,0]=2 217 B12R1.4 CN(C)CC1=CC=C(C#N)C=C1 D52684 [0,0,0,0,0,1|2,0,1]=4 218 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 A54206 [0,0,0,0,0,1|2,0,1]=4 219 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 F51626 [0,0,0,0,0,1|2,0,1]=4 220 B12R1.4 O=CC1=CC=C(OC(F)F)C=C1 D48189 [0,0,0,0,0,1|2,0,0]=3 221 B12R1.4 O=CC1=CN=C(OC(F)F)C=C1 D44994 [0,0,0,0,0,1|3,0,0]=4 222 B9R1.1 BrCC1=CC=C(I)C=C1 B45171 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.1 C#CC1=CC=C(C)C=C1 E68609 [2,0,0,0,0,0|1,0,1]=4 224 B9R1.1 C=CC1=CC=C(Br)C=C1 B68124 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.1 C=CC1=CC=C(O)C=C1 V67697 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.1 C=CC1=CN=C(C)C=C1 M11564 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.1 CC1=CC=C(C=O)C=C1 M68600 [2,0,0,0,0,0|0,0,0]=2 228 B9R1.1 CC1=CC=C(CN)C=C1 M69544 [2,0,0,0,0,0|1,0,1]=4 229 B9R1.1 CC1=CC=C(CO)C=C1 T37852 [2,0,0,0,0,0|0,0,2]=4 230 B9R1.1 CC1=CC=C(NN)C=C1 T68855 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.1 CC1=CN=C(C=O)C=C1 M3063 [2,0,0,0,0,0|1,0,0]=3 232 B9R1.1 CC1=CN=C(C=O)C=N1 M14618 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.1 CC1=CN=C(C=O)N=C1 M11474 [2,0,0,0,0,0|2,0,0]=4 234 B9R1.1 CC1=NC=C(C=O)C=C1 M0419 [2,0,0,0,0,0|1,0,0]=3 235 B9R1.1 CC1=NC=C(C=O)C=N1 M12382 [2,0,0,0,0,0|2,0,0]=4 236 B9R1.1 CCC1=CC=C(Br)C=C1 B68945 [2,0,0,0,0,0|1,0,0]=3 237 B9R1.1 CCC1=CC=C(Cl)C=C1 C49160 [2,0,0,0,0,0|1,0,0]=3 238 B9R1.1 CCC1=CC=C(I)C=C1 E49167 [2,0,0,0,0,0|1,0,0]=3 239 B9R1.1 CCC1=CC=C([Mg+])C=C1 E31741 [2,0,0,0,0,0|1,0,0]=3 240 B9R1.1 CCC1=CN=C(Cl)C=C1 C26331 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.1 CCC1=CN=C(N)C=C1 E43600 [2,0,0,0,0,0|2,0,0]=4 242 B9R1.1 CCC1=NC=C(Br)C=C1 B1614 [2,0,0,0,0,0|2,0,0]=4 243 B9R1.1 CCC1=NC=C(Cl)C=C1 C46096 [2,0,0,0,0,0|2,0,0]=4 244 B9R1.1 CCC1=NC=C(N)C=C1 E43602 [2,0,0,0,0,0|2,0,0]=4 245 B9R1.1 CNC1=CC=C(Br)C=C1 B61266 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.1 CNC1=CC=C(C)C=C1 D39432 [2,0,0,0,0,0|1,0,1]=4 247 B9R1.1 CNC1=CC=C(I)C=C1 K46120 [2,0,0,0,0,0|2,0,0]=4 248 B9R1.1 CNC1=CC=C(N)C=C1 M69627 [2,0,0,0,0,0|2,0,0]=4 249 B9R1.1 COC1=CC=C(S)C=C1 M46276 [2,0,0,0,0,0|1,1,0]=4 250 B9R1.1 COC1=CC=C([Mg+])C=C1 M31744 [2,0,0,0,0,0|2,0,0]=4 251 B9R1.1 CSC1=CC=C(I)C=C1 I38579 [2,0,0,0,0,0|2,0,0]=4 252 B9R1.1 CSC1=CC=C(O)C=C1 M67393 [2,0,0,0,0,0|1,0,1]=4 253 B9R1.1 CSC1=CC=C([Mg+])C=C1 M31771 [2,0,0,0,0,0|2,0,0]=4 254 B9R1.1 ClC1=CC=C(CBr)C=C1 B45158 [2,0,0,0,0,0|2,0,0]=4 255 B9R1.1 ClCC1=CC=C(Br)C=C1 B45160 [2,0,0,0,0,0|2,0,0]=4 256 B9R1.1 FC1=CC=C(C[Mg+])C=C1 F6777 [2,0,0,0,0,0|2,0,0]=4 257 B9R1.1 NC1=CC=C(CO)C=C1 A36619 [2,0,0,0,0,0|2,0,0]=4 258 B9R1.1 NC1=NC=C(C=O)C=C1 A12393 [2,0,0,0,0,0|2,0,0]=4 259 B9R1.1 NC1=NC=C(C=O)C=C1 A43519 [2,0,0,0,0,0|2,0,0]=4 260 B9R1.1 NCC1=CC=C(Br)C=C1 B36612 [2,0,0,0,0,0|2,0,0]=4 261 B9R1.1 NCC1=CC=C(Br)C=C1 B46090 [2,0,0,0,0,0|2,0,0]=4 262 B9R1.1 NCC1=CC=C(Cl)C=C1 C46099 [2,0,0,0,0,0|2,0,0]=4 263 B9R1.1 NCC1=CC=C(I)C=C1 I36689 [2,0,0,0,0,0|2,0,0]=4 264 B9R1.1 NCC1=CC=C(I)C=C1 K46123 [2,0,0,0,0,0|2,0,0]=4 265 B9R1.1 NCC1=CC=C(N)C=C1 A46581 [2,0,0,0,0,0|2,0,0]=4 266 B9R1.1 NCC1=CC=C(O)C=C1 A67587 [2,0,0,0,0,0|1,0,1]=4 267 B9R1.1 NCC1=CNC(=O)C=C1 A1719 [2,0,0,0,0,0|2,0,0]=4 268 B9R1.1 O=C1C=CC(CO)=CN1 H37111 [2,0,0,0,0,0|2,0,0]=4 269 B9R1.1 O=CC1=CC=C(Br)C=C1 B67400 [2,0,0,0,0,0|1,0,0]=3 270 B9R1.1 O=CC1=CC=C(Cl)C=C1 C37300 [2,0,0,0,0,0|1,0,0]=3 271 B9R1.1 O=CC1=CC=C(F)C=C1 F4631 [2,0,0,0,0,0|1,0,0]=3 272 B9R1.1 O=CC1=CC=C(I)C=C1 K20170 [2,0,0,0,0,0|1,0,0]=3 273 B9R1.1 O=CC1=CN=C(Br)C=C1 B2834 [2,0,0,0,0,0|2,0,0]=4 274 B9R1.1 O=CC1=CN=C(Cl)C=C1 C3215 [2,0,0,0,0,0|2,0,0]=4 275 B9R1.1 O=CC1=CN=C(F)C=C1 F13991 [2,0,0,0,0,0|2,0,0]=4 276 B9R1.1 O=CC1=CNC(=O)C=C1 X42601 [2,0,0,0,0,0|2,0,0]=4 277 B9R1.1 O=CC1=NC=C(Br)C=C1 B1678 [2,0,0,0,0,0|2,0,0]=4 278 B9R1.1 O=CC1=NC=C(Cl)C=C1 C5623 [2,0,0,0,0,0|2,0,0]=4 279 B9R1.1 O=CC1=NC=C(O)C=C1 H36846 [2,0,0,0,0,0|2,0,0]=4 280 B9R1.1 OCC1=CC=C(Br)C=C1 B67585 [2,0,0,0,0,0|2,0,0]=4 281 B9R1.1 OCC1=CC=C(Cl)C=C1 C39406 [2,0,0,0,0,0|2,0,0]=4 282 B9R1.1 OCC1=CC=C(F)C=C1 F39409 [2,0,0,0,0,0|2,0,0]=4 283 B9R1.1 OCC1=CC=C(I)C=C1 I36662 [2,0,0,0,0,0|2,0,0]=4 284 B9R1.6 CC(C)C1=NC=CC=C1 I0627 [2,0,0,0,0,0|1,0,0]=3 285 B9R1.6 CN(C)C1=CC=NC=C1 P68104 [2,0,0,0,0,0|2,0,0]=4 286 B9R1.6 C[C@@H](N)C1=CC=CC=C1 P68072 [2,0,0,0,0,0|1,0,0]=3 287 B9R1.6 C[C@@H](N)C1=CC=CN=C1 P43620 [2,0,0,0,0,0|2,0,0]=4 288 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P43606 [2,0,0,0,0,0|2,0,0]=4 289 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P46584 [2,0,0,0,0,0|2,0,0]=4 290 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P43619 [2,0,0,0,0,0|2,0,0]=4 291 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P46583 [2,0,0,0,0,0|2,0,0]=4 292 B9R1.6 C[C@@H](O)C1=CC=CC=C1 P46824 [2,0,0,0,0,0|1,0,0]=3 293 B9R1.6 C[C@@H](O)C1=CC=NC=C1 P46383 [2,0,0,0,0,0|2,0,0]=4 294 B9R1.6 C[C@@H](O)C1=NC=CC=C1 P46382 [2,0,0,0,0,0|2,0,0]=4 295 B9R1.6 C[C@H](N)C1=CC=CC=C1 P68597 [2,0,0,0,0,0|1,0,0]=3 296 B9R1.6 C[C@H](N)C1=CC=CC=C1 P69271 [2,0,0,0,0,0|1,0,0]=3 297 B9R1.6 C[C@H](N)C1=CC=CN=C1 P43604 [2,0,0,0,0,0|2,0,0]=4 298 B9R1.6 C[C@H](N)C1=CC=CN=C1 P46585 [2,0,0,0,0,0|2,0,0]=4 299 B9R1.6 C[C@H](N)C1=CC=CN=C1 P61653 [2,0,0,0,0,0|2,0,0]=4 300 B9R1.6 C[C@H](N)C1=CC=NC=C1 P43607 [2,0,0,0,0,0|2,0,0]=4 301 B9R1.6 C[C@H](N)C1=CC=NC=C1 P46582 [2,0,0,0,0,0|2,0,0]=4 302 B9R1.6 C[C@H](N)C1=NC=CC=C1 P43621 [2,0,0,0,0,0|2,0,0]=4 303 B9R1.6 C[C@H](N)C1=NC=CC=C1 P66366 [2,0,0,0,0,0|2,0,0]=4 304 B9R1.6 C[C@H](O)C1=CC=CC=C1 P46823 [2,0,0,0,0,0|1,0,0]=3 305 B9R1.6 C[C@H](O)C1=CC=NC=C1 P38118 [2,0,0,0,0,0|2,0,0]=4 306 B9R1.6 C[C@H](O)C1=NC=CC=C1 P46375 [2,0,0,0,0,0|2,0,0]=4 307 B9R1.6 C[S@](=O)C1=CC=CC=C1 M61814 [2,0,0,0,0,0|2,0,0]=4 308 B11R1.83 C#CC1=CC=C(CCC)C=C1 E54480 [1,1,0,0,0,0|1,0,1]=4 309 B11R1.83 C#CC1=CC=C(OCC)C=C1 E52410 [1,1,0,0,0,0|1,0,1]=4 310 B11R1.83 CCC1=CC=C(CNC)C=C1 E53118 [1,1,0,0,0,0|1,0,1]=4 311 B11R1.83 CCCC1=CC=C(C=O)C=C1 P52777 [1,1,0,0,0,0|0,0,0]=2 312 B11R1.83 CCNC1=CC=C(C#N)C=C1 E49708 [1,1,0,0,0,0|1,0,1]=4 313 B11R1.83 CCOC1=CC=C(CN)C=C1 E50343 [1,1,0,0,0,0|1,0,1]=4 314 B11R1.83 CCOC1=NC=C(C=O)C=C1 E49274 [1,1,0,0,0,0|1,0,0]=3 315 B11R1.83 CCSC1=NC=C(C=O)C=N1 E46057 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.83 CNCC1=CC=C(C#N)C=C1 M49716 [1,1,0,0,0,0|1,0,1]=4 317 B11R1.83 CNCC1=CC=C(OC)C=C1 M38582 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.83 CNCC1=CC=C(OC)C=C1 M52172 [1,1,0,0,0,0|2,0,0]=4 319 B11R1.83 COC1=CC=C(CC=O)C=C1 M49894 [1,1,0,0,0,0|1,0,0]=3 320 B11R1.83 COC1=CC=C(CCO)C=C1 M67580 [1,1,0,0,0,0|2,0,0]=4 321 B11R1.83 COC1=CC=C(CC[Mg+])C=C1 M31722 [1,1,0,0,0,0|2,0,0]=4 322 B11R1.83 N#CC1=CC=C(CCBr)C=C1 B36957 [1,1,0,0,0,0|1,0,1]=4 323 B11R1.83 N#CC1=CC=C(CCO)C=C1 H51763 [1,1,0,0,0,0|1,0,1]=4 324 B11R1.279 CC1=C(C=O)C=CC(C#N)=C1 F51162 [1,1,0,0,0,0|1,0,1]=4 325 B11R1.279 CCC1=CC(N)=C(OC)C=C1 E50338 [1,1,0,0,0,0|2,0,0]=4 326 B11R1.279 COC1=C(Br)C=C(C=O)C=C1 B2967 [1,1,0,0,0,0|1,0,0]=3 327 B11R1.279 COC1=C(C)C=C(C=O)C=C1 M49891 [1,1,0,0,0,0|1,0,0]=3 328 B11R1.279 COC1=C(Cl)C=C(C=O)C=C1 C67645 [1,1,0,0,0,0|1,0,0]=3 329 B11R1.279 COC1=C(Cl)C=C(C=O)C=N1 C37108 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.279 COC1=C(F)C=C(C=O)C=C1 F48620 [1,1,0,0,0,0|1,0,0]=3 331 B11R1.279 COC1=C(I)C=C(C=O)C=C1 K48635 [1,1,0,0,0,0|1,0,0]=3 332 B11R1.279 COC1=C(N)C=C(C=O)C=C1 A49285 [1,1,0,0,0,0|1,0,0]=3 333 B11R1.279 COC1=CC(Br)=C(C=O)C=C1 B48573 [1,1,0,0,0,0|1,0,0]=3 334 B11R1.279 COC1=CC(C)=C(C=O)C=C1 M49888 [1,1,0,0,0,0|1,0,0]=3 335 B11R1.279 COC1=CC(C)=C(C=O)C=N1 M49289 [1,1,0,0,0,0|2,0,0]=4 336 B11R1.279 COC1=CC(Cl)=C(C=O)C=C1 C48595 [1,1,0,0,0,0|1,0,0]=3 337 B11R1.279 COC1=CC(F)=C(C=O)C=C1 F48617 [1,1,0,0,0,0|1,0,0]=3 338 B11R1.279 COC1=CC=C(C=O)C(Br)=N1 B45340 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.279 COC1=CC=C(C=O)C(Cl)=N1 C45361 [1,1,0,0,0,0|2,0,0]=4 340 B11R1.279 N#CC1=C(F)C=C(C=O)C=C1 F47448 [1,1,0,0,0,0|1,0,1]=4 341 B11R1.279 N#CC1=CC(Br)=C(C=O)C=C1 B47434 [1,1,0,0,0,0|1,0,1]=4 342 B11R1.279 N#CC1=CC(Cl)=C(C=O)C=C1 C47441 [1,1,0,0,0,0|1,0,1]=4 343 B11R1.279 N#CC1=CC(F)=C(C=O)C=C1 F47449 [1,1,0,0,0,0|1,0,1]=4 344 B11R1.279 O=CC1=C(O)C=C(CO)C=C1 H64562 [1,1,0,0,0,0|1,0,0]=3 345 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 B68078 [1,1,0,0,0,0|1,0,0]=3 346 B11R1.19 CC(C)(C)C1=CC=C(Cl)C=C1 B52874 [1,1,0,0,0,0|1,0,0]=3 347 B11R1.19 CC(C)(C)C1=CC=C(I)C=C1 B52875 [1,1,0,0,0,0|1,0,0]=3 348 B11R1.19 CC(C)(C)C1=CC=C(S)C=C1 B53106 [1,1,0,0,0,0|0,1,0]=3 349 B11R1.19 CC(C)(C)C1=CC=C([Mg+])C=C1 B31784 [1,1,0,0,0,0|1,0,0]=3 350 B11R1.19 CC(C)(O)C1=CC=C(Br)C=C1 B50148 [1,1,0,0,0,0|1,0,0]=3 351 B11R1.19 CC(F)(F)C1=CC=C(Br)C=C1 B48301 [1,1,0,0,0,0|2,0,0]=4 352 B11R1.19 CP(C)(=O)C1=CC=C(Br)C=C1 B62353 [1,1,0,0,0,0|2,0,0]=4 353 B11R1.19 CP(C)(=O)C1=CC=C(N)C=C1 A49544 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.19 C[Si](C)(C)C1=CC=C(Br)C=C1 B50305 [1,1,0,0,0,0|1,1,0]=4 355 B11R1.21 CC(C)C1=NC(N)=C(Br)C=C1 B59688 [1,1,0,0,0,0|2,0,0]=4 356 B11R1.21 CC1=C(Cl)C=C([C@@H](C)N)C=C1 C61118 [1,1,0,0,0,0|1,0,1]=4 357 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 C50241 [1,1,0,0,0,0|1,0,1]=4 358 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 C61334 [1,1,0,0,0,0|1,0,1]=4 359 B11R1.21 CC1=C(Cl)C=CC([C@@H](C)N)=C1 C50246 [1,1,0,0,0,0|2,0,0]=4 360 B11R1.21 CC1=C(F)C=C([C@H](C)N)C=C1 F63759 [1,1,0,0,0,0|1,0,1]=4 361 B11R1.21 CC1=C(F)C=CC([C@H](C)N)=C1 F52150 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.21 CC1=C(N)C=C([C@H](C)N)C=C1 A52256 [1,1,0,0,0,0|1,0,1]=4 363 B11R1.21 C[C@@H](N)C1=CC(Cl)=C(Cl)C=C1 D49232 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.21 C[C@@H](N)C1=CC(Cl)=C(F)C=C1 C49241 [1,1,0,0,0,0|2,0,0]=4 365 B11R1.21 C[C@@H](N)C1=CC(F)=C(Cl)C=C1 C49243 [1,1,0,0,0,0|2,0,0]=4 366 B11R1.21 C[C@@H](N)C1=CC(F)=C(F)C=C1 D49250 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.21 C[C@@H](N)C1=CC(F)=C(F)C=C1 D49637 [1,1,0,0,0,0|2,0,0]=4 368 B11R1.21 C[C@H](N)C1=CC(Br)=C(F)C=C1 B49225 [1,1,0,0,0,0|2,0,0]=4 369 B11R1.21 C[C@H](N)C1=CC(Cl)=C(Br)C=C1 B49221 [1,1,0,0,0,0|2,0,0]=4 370 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 B49227 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.21 C[C@H](N)C1=CC(F)=C(Cl)C=C1 C49246 [1,1,0,0,0,0|2,0,0]=4 372 B11R1.21 C[C@H](N)C1=CC(F)=C(F)C=C1 D49642 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.21 C[C@H](O)C1=CC(Cl)=C(Cl)C=C1 D49144 [1,1,0,0,0,0|2,0,0]=4 374 B11R1.21 C[C@H](O)C1=CC(F)=C(F)C=C1 D49155 [1,1,0,0,0,0|2,0,0]=4 375 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 A52174 [1,1,0,0,0,0|1,0,1]=4 376 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 T54185 [1,1,0,0,0,0|1,0,1]=4 377 B11R1.22 CC[C@@H](N)C1=CC=C(Cl)C=C1 C50244 [1,1,0,0,0,0|2,0,0]=4 378 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 F52146 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 B39008 [1,1,0,0,0,0|1,0,0]=3 380 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50231 [1,1,0,0,0,0|2,0,0]=4 381 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50235 [1,1,0,0,0,0|2,0,0]=4 382 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 C37034 [1,1,0,0,0,0|2,0,0]=4 383 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52142 [1,1,0,0,0,0|2,0,0]=4 384 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52149 [1,1,0,0,0,0|2,0,0]=4 385 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 B50237 [1,1,0,0,0,0|1,0,0]=3 386 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 C50248 [1,1,0,0,0,0|1,0,0]=3 387 B11R1.22 CN[C@H](C)C1=CC=C(Cl)C=C1 C50247 [1,1,0,0,0,0|1,0,0]=3 388 B11R1.22 C[C@@H](CN)C1=CC=C(O)C=C1 A28643 [1,1,0,0,0,0|0,0,1]=3 389 B11R1.22 C[C@H](C#N)C1=CC=C(Br)C=C1 B51451 [1,1,0,0,0,0|1,0,1]=4 390 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A38341 [1,1,0,0,0,0|2,0,0]=4 391 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A46796 [1,1,0,0,0,0|2,0,0]=4 392 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A46798 [1,1,0,0,0,0|2,0,0]=4 393 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 A46808 [1,1,0,0,0,0|2,0,0]=4 394 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 A46813 [1,1,0,0,0,0|2,0,0]=4 395 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 A46818 [1,1,0,0,0,0|2,0,0]=4 396 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 A49527 [1,1,0,0,0,0|1,0,1]=4 397 B11R1.22 N[C@H](CO)C1=CC=C(Br)C=C1 A46797 [1,1,0,0,0,0|2,0,0]=4 398 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 A46811 [1,1,0,0,0,0|2,0,0]=4 399 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 A46821 [1,1,0,0,0,0|2,0,0]=4 400 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 A49517 [1,1,0,0,0,0|2,0,0]=4 401 B11R1.22 N[C@H](CO)C1=CC=C(O)C=C1 A49528 [1,1,0,0,0,0|1,0,1]=4 402 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 B49377 [1,1,0,0,0,0|2,0,0]=4 403 B11R1.166 CC(C)C1=C(O)C=C(N)C=C1 A67349 [1,1,0,0,0,0|1,0,0]=3 404 B11R1.166 CC(C)C1=C(O)C=C(O)C=C1 I38010 [1,1,0,0,0,0|0,0,1]=3 405 B11R1.166 CC1=CC(Br)=C(N(C)C)C=C1 B50229 [1,1,0,0,0,0|1,0,1]=4 406 B11R1.166 CC1=CC(C)=C([C@H](C)N)C=C1 D54187 [1,1,0,0,0,0|1,0,1]=4 407 B11R1.166 C[C@@H](N)C1=C(Br)C=C(F)C=C1 B49222 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.166 C[C@@H](N)C1=C(Cl)C=C(Cl)C=C1 D49229 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.166 C[C@@H](N)C1=C(F)C=C(Br)C=C1 B49223 [1,1,0,0,0,0|2,0,0]=4 410 B11R1.166 C[C@@H](N)C1=C(F)C=C(F)C=C1 D49249 [1,1,0,0,0,0|2,0,0]=4 411 B11R1.166 C[C@@H](N)C1=C(F)C=C(F)C=C1 D49634 [1,1,0,0,0,0|2,0,0]=4 412 B11R1.166 C[C@H](N)C1=C(Br)C=C(F)C=C1 B49224 [1,1,0,0,0,0|2,0,0]=4 413 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 B49226 [1,1,0,0,0,0|2,0,0]=4 414 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 B63723 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.166 C[C@H](N)C1=C(F)C=C(F)C=C1 D49252 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.166 C[C@H](N)C1=C(F)C=C(F)C=C1 D49640 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.166 C[C@H](O)C1=C(Cl)C=C(Cl)C=C1 D49143 [1,1,0,0,0,0|2,0,0]=4 418 B11R1.45 CC(C)(C)C1=CNC(C=O)=C1 B50358 [0,1,0,0,1,0|1,0,0]=3 419 B11R1.175 CC(C)C1=CC(C(=O)O)=NN1 P43660 [0,1,0,0,1,0|2,0,0]=4 420 B11R1.175 CC(C)C1=CSC(C(=O)O)=N1 P64407 [0,1,0,0,1,0|2,0,0]=4 421 B11R1.175 CC(C)C1=NC(C(=O)O)=CS1 P46418 [0,1,0,0,1,0|2,0,0]=4 422 B11R1.175 CC(C)N1C=C(C(=O)O)C=N1 P15480 [0,1,0,0,1,0|2,0,0]=4 423 B13R1.4 CS(=O)(=O)CC1=CC=C(C=O)C=C1 M49939 [0,1,0,0,0,1|2,0,0]=4 424 B13R1.4 C[Si](C)(C)OC1=CC=C(C=O)C=C1 T53091 [0,1,0,0,0,1|0,1,0]=3 425 B13R1.4 O=CC1=CC=C(OC(F)(F)F)C=C1 T47792 [0,1,0,0,0,1|2,0,0]=4 426 B13R1.5 COC(=O)CC1=CC=C(C=O)C=C1 M52460 [0,1,0,0,0,1|1,0,1]=4 427 B13R1.35 CC1=C(C#N)C=CC(OC(C)C)=C1 P54630 [0,1,0,0,0,1|1,0,1]=4 428 B13R1.36 COC1=CC=C([C@@H](O)C(C)C)C=C1 M54959 [0,1,0,0,0,1|2,0,0]=4 429 B13R1.585 CC(=O)C1=CC=C(OC(F)F)C=C1 D51616 [0,1,0,0,0,1|2,0,0]=4 430 B13R1.585 CC(C)OC1=CC=C(B(O)O)C=C1 I3909 [0,1,0,0,0,1|1,0,1]=4 431 B13R1.585 CC(C)OC1=CC=C(C(=O)O)C=C1 P65244 [0,1,0,0,0,1|0,0,0]=2 432 B13R1.585 CC(C)OC1=NC=C(C(=O)O)C=C1 P50085 [0,1,0,0,0,1|1,0,0]=3 433 B13R1.585 CC(C)SC1=CC=C(B(O)O)C=C1 I3966 [0,1,0,0,0,1|1,0,1]=4 434 B13R1.585 CN(C)CC1=CC=C(C(=O)O)C=C1 D54167 [0,1,0,0,0,1|1,0,0]=3 435 B13R1.585 CN(C)CC1=CC=C([N+](=O)[O-])C=C1 D50186 [0,1,0,0,0,1|2,0,0]=4 436 B13R1.585 O=C(O)C1=CC=C(OC(F)F)C=C1 D48224 [0,1,0,0,0,1|2,0,0]=4 437 B13R1.653 O=CC1=CC(O)=C(OC(F)F)C=C1 D48229 [0,1,0,0,0,1|2,0,0]=4 438 B13R1.39 CCN(CC)C1=NC=C(C=O)C=C1 D53037 [0,2,0,0,0,0|2,0,0]=4 439 B13R1.95 COC(=O)C1=C(F)C=C(C=O)C=C1 M51285 [0,2,0,0,0,0|1,0,1]=4 440 B13R1.95 COC(=O)C1=C(O)C=C(C=O)C=C1 M51642 [0,2,0,0,0,0|1,0,1]=4 441 B13R1.187 CC(C)(C#N)C1=CC=C(CBr)C=C1 B54513 [0,2,0,0,0,0|1,0,1]=4 442 B13R1.452 CCOC(=O)C1=CC=C(C=O)C=C1 E52452 [0,2,0,0,0,0|1,0,1]=4 443 B13R1.537 CN(C)C1=CC=C(C(=O)CBr)C=C1 B52773 [0,2,0,0,0,0|1,0,0]=3 444 B13R1.537 COC(=O)C1=CC=C(C(=O)Cl)C=C1 M51284 [0,2,0,0,0,0|1,0,1]=4 445 B13R1.537 COC(=O)C1=CC=C(C(C)=O)C=C1 M52454 [0,2,0,0,0,0|1,0,1]=4 446 B13R1.537 COC(=O)C1=CC=C([C@@H](C)N)C=C1 M64160 [0,2,0,0,0,0|1,0,0]=3 447 B13R1.537 COC(=O)C1=CC=C([C@H](C)Br)C=C1 M36739 [0,2,0,0,0,0|1,0,0]=3 448 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 M22446 [0,2,0,0,0,0|1,0,0]=3 449 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 M25458 [0,2,0,0,0,0|1,0,0]=3 450 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 M25631 [0,2,0,0,0,0|1,0,0]=3 451 B13R1.537 COC(=O)C1=CC=C([C@H](C)O)C=C1 M52832 [0,2,0,0,0,0|1,0,0]=3 452 B13R1.537 NC[C@H](O)C1=CC=C([N+](=O)[O-])C=C1 H65209 [0,2,0,0,0,0|2,0,0]=4 453 B13R1.537 O=C(O)C1=CC=C(C(=O)CBr)C=C1 B51273 [0,2,0,0,0,0|1,0,1]=4 454 B13R1.537 O=[N+]([O-])C1=CC=C([C@@H](O)CBr)C=C1 B65208 [0,2,0,0,0,0|2,0,0]=4 455 B13R1.3088 COC(=O)C1=CC(Br)=C(C=O)C=C1 M51275 [0,2,0,0,0,0|1,0,1]=4 456 B13R1.3088 COC(=O)C1=CC(Cl)=C(C=O)C=C1 M51283 [0,2,0,0,0,0|1,0,1]=4 457 B13R1.3088 COC(=O)C1=CC(F)=C(C=O)C=C1 M51286 [0,2,0,0,0,0|1,0,1]=4 458 B13R1.3088 COC(=O)C1=CC(O)=C(C=O)C=C1 M61610 [0,2,0,0,0,0|1,0,1]=4 459 B13R1.38 O=CC1=C(Br)C=C(C(F)(F)F)C=C1 B36964 [0,2,0,0,0,0|2,0,0]=4 460 B13R1.38 O=CC1=C(Cl)C=C(C(F)(F)F)C=C1 C47508 [0,2,0,0,0,0|2,0,0]=4 461 B13R1.38 O=CC1=C(F)C=C(C(F)(F)F)C=C1 F38497 [0,2,0,0,0,0|2,0,0]=4 462 B13R1.38 O=CC1=C(O)C=C(C(F)(F)F)C=C1 H47795 [0,2,0,0,0,0|2,0,0]=4 463 B13R1.96 O=CC1=CC(Br)=C(C(F)(F)F)C=C1 B47502 [0,2,0,0,0,0|2,0,0]=4 464 B13R1.96 O=CC1=CC(Cl)=C(C(F)(F)F)C=C1 C47511 [0,2,0,0,0,0|2,0,0]=4 465 B13R1.140 CC(C)(C)C1=CC=C(CC#N)C=C1 B39677 [0,2,0,0,0,0|1,0,1]=4 466 B13R1.140 CC(C)(C)C1=CC=C(CCO)C=C1 B56216 [0,2,0,0,0,0|0,0,2]=4 467 B13R1.338 CC(=O)C1=CC=C(C(C)(C)C)C=C1 B69397 [0,2,0,0,0,0|0,0,0]=2 468 B13R1.338 CC(=O)C1=CC=C(C(F)(F)F)C=C1 T67861 [0,2,0,0,0,0|2,0,0]=4 469 B13R1.338 CC(=O)C1=CC=C(S(C)(=O)=O)C=C1 M39539 [0,2,0,0,0,0|2,0,0]=4 470 B13R1.338 CC(C)(C)C1=CC=C(B(O)O)C=C1 B2080 [0,2,0,0,0,0|1,0,1]=4 471 B13R1.338 CC(C)(C)C1=CC=C(C(=O)O)C=C1 B68985 [0,2,0,0,0,0|0,0,0]=2 472 B13R1.338 CC(C)(C)C1=CC=C(C(N)=O)C=C1 B54853 [0,2,0,0,0,0|0,0,0]=2 473 B13R1.338 CC(C)(C)C1=CN=C(C(=O)O)C=N1 B8895 [0,2,0,0,0,0|2,0,0]=4 474 B13R1.338 CC(C)(C)C1=NC=C(C(=O)O)C=C1 B7810 [0,2,0,0,0,0|1,0,0]=3 475 B13R1.338 CC(C)(O)C1=CC=C(B(O)O)C=C1 H50390 [0,2,0,0,0,0|1,0,1]=4 476 B13R1.338 CC(C)C1=CC=C(S(=O)(=O)Cl)C=C1 P50129 [0,2,0,0,0,0|1,0,0]=3 477 B13R1.338 CN(C)C1=CC=C(S(=O)(=O)O)C=C1 D61526 [0,2,0,0,0,0|2,0,0]=4 478 B13R1.338 CS(=O)(=O)C1=CC=C(C(=O)O)C=C1 M39509 [0,2,0,0,0,0|2,0,0]=4 479 B13R1.338 C[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1 M52185 [0,2,0,0,0,0|2,0,0]=4 480 B13R1.338 C[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1 M64836 [0,2,0,0,0,0|2,0,0]=4 481 B13R1.338 C[Si](C)(C)C1=CC=C(C(=O)O)C=C1 T61714 [0,2,0,0,0,0|0,1,0]=3 482 B13R1.338 NC(=O)C1=CC=C(C(F)(F)F)C=C1 T68833 [0,2,0,0,0,0|2,0,0]=4 483 B13R1.338 O=C(O)C1=CC=C(C(F)(F)F)C=C1 T68826 [0,2,0,0,0,0|2,0,0]=4 484 B13R1.338 O=C([O-])C1=CC=C(C(F)(F)F)C=C1 S49480 [0,2,0,0,0,0|2,0,0]=4 485 B13R1.120 CC(=O)C1=C(O)C=C(C(=O)O)C=C1 A63910 [0,2,0,0,0,0|1,0,1]=4 486 B13R1.120 CC(=O)C1=CC(I)=C(C(=O)O)C=C1 A51299 [0,2,0,0,0,0|1,0,1]=4 487 B13R1.120 CC(C)C1=C(Br)C=C([N+](=O)[O-])C=C1 B49793 [0,2,0,0,0,0|1,0,0]=3 488 B13R1.120 C[C@H](N)C1=CC(F)=C(C(=O)O)C=C1 A52078 [0,2,0,0,0,0|1,0,0]=3 489 B13R1.120 O=C(O)C1=CC(Br)=C(C(F)F)C=C1 B47777 [0,2,0,0,0,0|2,0,0]=4 490 B13R1.652 COC1=C(Br)C=C(C(C)C)C(F)=C1 B8182 [0,2,0,0,0,0|2,0,0]=4 491 B13R1.652 COC1=C(I)C=C(C(C)C)C(F)=C1 F14796 [0,2,0,0,0,0|2,0,0]=4 492 B13R1.74 CN(C)C1=CC=C(\C=C\C=O)C=C1 D68997 [0,2,0,0,0,0|1,0,0]=3 493 B13R1.99 COC1=C(C(F)F)C=CC(C=O)=C1 D51617 [0,2,0,0,0,0|2,0,0]=4 494 B11R1.159 CC(C)C1=CC=CC(N)=C1F F50249 [0,0,1,1,0,0|2,0,0]=4 495 B11R2.190 C=CC1=CC2=C(C=C1)CC2 V52272 [1,0,0,1,0,0|1,0,0]=3 496 B11R2.190 O=CC1=CC2=C(C=C1)CC2 B51547 [1,0,0,1,0,0|0,0,0]=2 497 B11R2.190 OCC1=CC2=C(C=C1)CC2 B49878 [1,0,0,1,0,0|0,0,2]=4 498 B11R2.34 BrC1=CC=C(C2CC2)C=C1 B32033 [1,0,0,1,0,0|1,0,0]=3 499 B11R2.34 BrC1=CN=C(C2CC2)C=C1 B38917 [1,0,0,1,0,0|2,0,0]=4 500 B11R2.34 BrC1=NC=C(C2CC2)C=C1 B48875 [1,0,0,1,0,0|2,0,0]=4 501 B11R2.34 FC1=CC=C([C@@H]2CO2)C=C1 F62188 [1,0,0,1,0,0|2,0,0]=4 502 B11R2.34 FC1=NC=C(C2CC2)C=C1 C48887 [1,0,0,1,0,0|2,0,0]=4 503 B11R2.34 NC1=CC=C(C2CC2)C=C1 C52090 [1,0,0,1,0,0|1,0,0]=3 504 B11R2.34 NC1=CN=C(C2CC2)C=C1 C46642 [1,0,0,1,0,0|2,0,0]=4 505 B11R2.34 NC1=NC=C(C2CC2)C=C1 C46640 [1,0,0,1,0,0|2,0,0]=4 506 B11R2.34 O=C1C=CC(C2CC2)=NN1 C45982 [1,0,0,1,0,0|2,0,0]=4 507 B11R2.34 OC1=CC=C(C2CC2)C=C1 C49871 [1,0,0,1,0,0|0,0,1]=3 508 B11R2.34 OC1=NC=C(C2CC2)C=C1 C37180 [1,0,0,1,0,0|1,0,1]=4 509 B11R2.21 O=CC1=CN(C2CC2)N=C1 C45986 [0,0,0,1,1,0|2,0,0]=4 510 B11R2.21 O=CC1=CN=C(C2CC2)S1 C45889 [0,0,0,1,1,0|2,0,0]=4 511 B11R2.21 O=CC1=CSC(C2CC2)=N1 C37706 [0,0,0,1,1,0|2,0,0]=4 512 B13R2.2121 CC1=NC2=C(C=C(C=O)C=C2)O1 M51187 [0,0,0,1,0,1|1,0,1]=4 513 B13R2.2121 CN1C=C2C=C(C=O)C=CC2=N1 M14154 [0,0,0,1,0,1|1,0,1]=4 514 B13R2.2121 CN1C=C2C=CC(C=O)=CC2=N1 M14159 [0,0,0,1,0,1|2,0,0]=4 515 B13R2.186 N#CC1=CC=C(C2(N)CC2)C=C1 A54085 [0,1,0,1,0,0|1,0,1]=4 516 B13R2.2130 CN1C=CC2=C1C=CC(C=O)=C2 M53909 [0,1,0,1,0,0|1,0,1]=4 517 B13R2.2130 CN1C=NC2=C1C=CC(C=O)=C2 M51365 [0,1,0,1,0,0|1,0,1]=4 518 B13R2.2130 CN1N=CC2=C1C=CC(C=O)=C2 M3412 [0,1,0,1,0,0|1,0,1]=4 519 B13R2.2130 CN1N=NC2=C1C=CC(C=O)=C2 M38618 [0,1,0,1,0,0|2,0,0]=4 520 B13R2.2130 O=CC1=CC2=C(C=C1)C(=O)NC2 X38923 [0,1,0,1,0,0|1,0,1]=4 521 B13R2.2396 N#CC1=C(Br)C=C(C2CC2)C=C1 B53718 [0,1,0,1,0,0|1,0,1]=4 522 B13R2.428 CC(=O)C1=CC=C(C2CC2)C=C1 C54539 [0,1,0,1,0,0|0,0,0]=2 523 B13R2.428 O=C(O)C1=CC=C(C2CC2)C=C1 C52431 [0,1,0,1,0,0|0,0,0]=2 524 B13R2.428 O=C(O)C1=CN=C(C2CC2)C=C1 C39101 [0,1,0,1,0,0|1,0,0]=3 525 B13R2.428 O=C(O)C1=CN=C(C2CC2)N=C1 C48827 [0,1,0,1,0,0|2,0,0]=4 526 B13R2.428 O=C(O)C1=NC=C(C2CC2)C=C1 C52236 [0,1,0,1,0,0|1,0,0]=3 527 B13R2.428 O=[N+]([O-])C1=CC=C([C@@H]2CO2)C=C1 N63422 [0,1,0,1,0,0|2,0,0]=4 528 B13R2.428 OB(O)C1=CC=C(C2CC2)C=C1 C61387 [0,1,0,1,0,0|1,0,1]=4 529 B9R1.21 CCC1=CSC(C=O)=N1 E43175 [1,0,0,0,1,0|2,0,0]=4 530 B9R1.21 CCN1C=C(C=O)C=N1 E3269 [1,0,0,0,1,0|2,0,0]=4 531 B9R1.21 O=CC1=CC=C(CO)N1 H43148 [1,0,0,0,1,0|2,0,0]=4 532 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 B52869 [1,0,0,0,0,1|1,0,0]=3 533 B11R1.20 CC(C)NC1=CC=C(F)C=C1 F50250 [1,0,0,0,0,1|1,0,0]=3 534 B11R1.20 CC(C)OC1=CC=C(N)C=C1 P50334 [1,0,0,0,0,1|1,0,0]=3 535 B11R1.20 CC(C)OC1=CC=C(O)C=C1 P60509 [1,0,0,0,0,1|0,0,1]=3 536 B11R1.20 CC(C)OC1=CN=C(Cl)C=C1 C37509 [1,0,0,0,0,1|2,0,0]=4 537 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 B46786 [1,0,0,0,0,1|2,0,0]=4 538 B11R1.20 CC(C)OC1=NC=C(N)C=C1 P59792 [1,0,0,0,0,1|2,0,0]=4 539 B11R1.20 CC(C)OC1=NC=C(O)C=C1 P63580 [1,0,0,0,0,1|1,0,1]=4 540 B11R1.20 CC(C)SC1=CC=C(Br)C=C1 B49968 [1,0,0,0,0,1|1,0,0]=3 541 B11R1.20 CN(C)CC1=CC=C(N)C=C1 D24687 [1,0,0,0,0,1|2,0,0]=4 542 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 F36778 [1,0,0,0,0,1|2,0,0]=4 543 B11R1.266 CC(C)C1=CC=CC(C=O)=C1 P52779 [0,0,0,0,1,1|0,0,0]=2 544 B11R1.266 CC(C)C1=CC=CC(CBr)=C1 B11975 [0,0,0,0,1,1|1,0,1]=4 545 B11R1.266 CC(C)C1=NC=CC(C#N)=C1 P63847 [0,0,0,0,1,1|1,0,1]=4 546 B11R1.266 CN(C)C1=CC=CC(C=O)=C1 D50021 [0,0,0,0,1,1|1,0,0]=3 547 B13R1.3 CC(C)COC1=CC=C(C=O)C=C1 B54765 [0,0,0,0,0,2|0,0,0]=2 548 B13R1.3 CC(C)COC1=CC=C(CN)C=C1 B57397 [0,0,0,0,0,2|1,0,1]=4